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 1bdf_1_B DATA FIRST_RESID 1 DATA SEQUENCE MQGSVTEFLK PRLVDIEQVS STHAKVTLEP LERGFGHTLG NALRAILLSS DATA SEQUENCE MPGCAVTEVE IDGVLHEYST KEGVQEDILE ILLNLKGLAV RVQGKDEVIL DATA SEQUENCE TLNKSGIGPV TAADITHDGD VEIVKPQHVI CHLTDENASI SMRIKVQRGR DATA SEQUENCE GYVPASTRIH XXXDERPIGR LLVDACYSPV ERIAYNVEAA RVEQRTDLDK DATA SEQUENCE LVIEMETNGT IDPEEAIRRA ATILAEQLEA FVDLR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.273 176.300 -0.045 0.000 1.140 1 M CA 0.000 55.268 55.300 -0.053 0.000 0.988 1 M CB 0.000 32.582 32.600 -0.030 0.000 1.302 2 Q N 0.622 120.404 119.800 -0.031 0.000 2.036 2 Q HA 0.248 4.588 4.340 0.001 0.000 0.195 2 Q C 1.967 177.950 176.000 -0.029 0.000 0.971 2 Q CA 2.261 58.048 55.803 -0.026 0.000 0.826 2 Q CB -0.575 28.152 28.738 -0.017 0.000 0.896 2 Q HN 0.574 nan 8.270 nan 0.000 0.449 3 G N -0.777 108.007 108.800 -0.026 0.000 2.484 3 G HA2 -0.030 3.930 3.960 0.001 0.000 0.218 3 G HA3 -0.030 3.930 3.960 0.001 0.000 0.218 3 G C -0.200 174.677 174.900 -0.038 0.000 1.130 3 G CA 0.706 45.791 45.100 -0.026 0.000 0.784 3 G HN 0.357 nan 8.290 nan 0.000 0.543 4 S N -2.241 113.428 115.700 -0.053 0.000 2.964 4 S HA -0.146 4.325 4.470 0.001 0.000 0.829 4 S C 0.611 175.154 174.600 -0.095 0.000 0.843 4 S CA 0.255 58.403 58.200 -0.085 0.000 1.458 4 S CB -0.918 62.230 63.200 -0.087 0.000 1.044 4 S HN 0.723 nan 8.310 nan 0.000 0.490 5 V N 4.413 124.248 119.914 -0.132 0.000 3.368 5 V HA 0.062 4.183 4.120 0.001 0.000 0.255 5 V C 2.313 178.223 176.094 -0.307 0.000 1.466 5 V CA 1.032 63.259 62.300 -0.121 0.000 1.095 5 V CB -0.443 31.361 31.823 -0.032 0.000 0.899 5 V HN 1.065 nan 8.190 nan 0.000 0.440 6 T N 0.304 114.572 114.554 -0.477 0.000 2.508 6 T HA -0.183 4.167 4.350 0.001 0.000 0.249 6 T C 0.982 174.699 174.700 -1.639 0.000 1.173 6 T CA 1.727 63.081 62.100 -1.243 0.000 1.275 6 T CB -0.442 68.092 68.868 -0.557 0.000 0.883 6 T HN 0.530 nan 8.240 nan 0.000 0.394 7 E N 0.538 120.273 120.200 -0.775 0.000 2.971 7 E HA -0.155 4.196 4.350 0.001 0.000 0.278 7 E C -0.989 175.431 176.600 -0.301 0.000 1.009 7 E CA 0.522 56.663 56.400 -0.432 0.000 0.862 7 E CB -2.318 27.201 29.700 -0.301 0.000 1.436 7 E HN 0.725 nan 8.360 nan 0.000 0.434 8 F N -1.848 118.077 119.950 -0.040 0.000 2.588 8 F HA 0.561 5.089 4.527 0.000 0.000 0.314 8 F C -0.653 175.077 175.800 -0.117 0.000 1.134 8 F CA -1.946 56.002 58.000 -0.087 0.000 0.961 8 F CB 0.491 39.417 39.000 -0.123 0.000 1.239 8 F HN -0.246 nan 8.300 nan 0.000 0.448 9 L N 4.043 125.326 121.223 0.100 0.000 2.361 9 L HA 0.327 4.667 4.340 0.001 0.000 0.278 9 L C 0.094 176.922 176.870 -0.069 0.000 1.113 9 L CA -0.093 54.757 54.840 0.017 0.000 0.849 9 L CB 0.449 42.504 42.059 -0.005 0.000 1.155 9 L HN 0.604 nan 8.230 nan 0.000 0.452 10 K N 6.432 126.803 120.400 -0.048 0.000 2.227 10 K HA 0.373 4.693 4.320 0.001 0.000 0.280 10 K C -2.169 174.381 176.600 -0.084 0.000 1.041 10 K CA -1.531 54.694 56.287 -0.103 0.000 0.905 10 K CB 0.848 33.310 32.500 -0.064 0.000 1.068 10 K HN 0.412 nan 8.250 nan 0.000 0.470 11 P HA 0.145 nan 4.420 nan 0.000 0.274 11 P C -1.141 176.129 177.300 -0.049 0.000 1.237 11 P CA -0.432 62.628 63.100 -0.066 0.000 0.793 11 P CB 0.870 32.529 31.700 -0.067 0.000 0.977 12 R N 0.624 121.104 120.500 -0.034 0.000 2.680 12 R HA 0.524 4.864 4.340 0.001 0.000 0.269 12 R C -0.780 175.508 176.300 -0.020 0.000 1.026 12 R CA -1.206 54.878 56.100 -0.027 0.000 0.889 12 R CB 0.630 30.918 30.300 -0.021 0.000 1.241 12 R HN 0.272 nan 8.270 nan 0.000 0.463 13 L N 2.729 123.941 121.223 -0.019 0.000 2.597 13 L HA 0.007 4.348 4.340 0.001 0.000 0.271 13 L C 0.439 177.303 176.870 -0.010 0.000 1.157 13 L CA 0.175 55.007 54.840 -0.015 0.000 0.928 13 L CB 1.024 43.074 42.059 -0.014 0.000 1.216 13 L HN 0.697 nan 8.230 nan 0.000 0.481 14 V N 4.281 124.190 119.914 -0.008 0.000 3.565 14 V HA 0.209 4.329 4.120 0.001 0.000 0.260 14 V C 0.154 176.247 176.094 -0.002 0.000 1.231 14 V CA 0.663 62.960 62.300 -0.005 0.000 1.100 14 V CB 0.170 31.991 31.823 -0.004 0.000 0.807 14 V HN 0.920 nan 8.190 nan 0.000 0.454 15 D N -0.747 119.652 120.400 -0.001 0.000 2.706 15 D HA 0.273 4.913 4.640 0.001 0.000 0.227 15 D C -1.635 174.666 176.300 0.001 0.000 1.233 15 D CA -0.342 53.659 54.000 0.002 0.000 0.768 15 D CB 2.072 42.875 40.800 0.005 0.000 1.490 15 D HN 0.090 nan 8.370 nan 0.000 0.458 16 I N 2.261 122.833 120.570 0.003 0.000 2.500 16 I HA 0.219 4.389 4.170 0.001 0.000 0.286 16 I C -0.453 175.670 176.117 0.010 0.000 1.063 16 I CA -0.579 60.723 61.300 0.003 0.000 1.062 16 I CB 2.141 40.141 38.000 0.000 0.000 1.223 16 I HN 0.276 nan 8.210 nan 0.000 0.435 17 E N 7.105 127.314 120.200 0.016 0.000 2.121 17 E HA 0.219 4.569 4.350 0.001 0.000 0.255 17 E C -0.748 175.878 176.600 0.042 0.000 0.906 17 E CA -0.642 55.775 56.400 0.029 0.000 0.745 17 E CB 0.893 30.615 29.700 0.035 0.000 1.155 17 E HN 0.456 nan 8.360 nan 0.000 0.424 18 Q N 3.888 123.711 119.800 0.039 0.000 2.431 18 Q HA 0.045 4.385 4.340 0.001 0.000 0.234 18 Q C 1.091 177.138 176.000 0.078 0.000 1.203 18 Q CA -0.022 55.813 55.803 0.053 0.000 0.902 18 Q CB 1.341 30.101 28.738 0.035 0.000 1.455 18 Q HN 0.539 nan 8.270 nan 0.000 0.515 19 V N 1.523 121.523 119.914 0.142 0.000 2.568 19 V HA -0.209 3.912 4.120 0.001 0.000 0.253 19 V C 1.190 177.327 176.094 0.073 0.000 1.072 19 V CA 1.932 64.307 62.300 0.125 0.000 1.084 19 V CB -0.406 31.544 31.823 0.213 0.000 0.676 19 V HN 0.819 nan 8.190 nan 0.000 0.469 20 S N -2.238 113.519 115.700 0.096 0.000 2.755 20 S HA 0.183 4.654 4.470 0.001 0.000 0.286 20 S C 0.892 175.529 174.600 0.061 0.000 1.207 20 S CA 0.191 58.428 58.200 0.062 0.000 0.892 20 S CB 1.041 64.272 63.200 0.051 0.000 1.240 20 S HN 0.255 nan 8.310 nan 0.000 0.525 21 S N 0.253 115.981 115.700 0.046 0.000 2.447 21 S HA 0.027 4.497 4.470 0.001 0.000 0.233 21 S C 1.349 175.972 174.600 0.039 0.000 1.006 21 S CA 1.498 59.719 58.200 0.036 0.000 0.957 21 S CB -1.029 62.188 63.200 0.027 0.000 0.773 21 S HN 1.570 nan 8.310 nan 0.000 0.507 22 T N -2.239 112.350 114.554 0.058 0.000 3.170 22 T HA 0.272 4.622 4.350 0.001 0.000 0.288 22 T C -0.136 174.619 174.700 0.090 0.000 0.992 22 T CA -0.540 61.593 62.100 0.055 0.000 0.909 22 T CB -0.100 68.794 68.868 0.044 0.000 1.133 22 T HN 0.499 nan 8.240 nan 0.000 0.530 23 H N 0.656 119.729 119.070 0.005 0.000 2.744 23 H HA 0.761 5.317 4.556 0.001 0.000 0.339 23 H C -1.419 173.913 175.328 0.007 0.000 1.004 23 H CA -0.247 55.805 56.048 0.006 0.000 1.257 23 H CB 1.632 31.397 29.762 0.006 0.000 1.552 23 H HN 0.422 nan 8.280 nan 0.000 0.522 24 A N 4.224 126.895 122.820 -0.249 0.000 2.532 24 A HA 0.637 4.957 4.320 0.001 0.000 0.290 24 A C -1.149 176.335 177.584 -0.167 0.000 1.143 24 A CA -0.888 51.089 52.037 -0.100 0.000 0.728 24 A CB 1.738 20.707 19.000 -0.051 0.000 1.317 24 A HN 0.635 nan 8.150 nan 0.000 0.414 25 K N 1.032 121.406 120.400 -0.044 0.000 2.616 25 K HA 0.504 4.825 4.320 0.001 0.000 0.241 25 K C -1.406 175.187 176.600 -0.011 0.000 0.961 25 K CA -0.340 55.933 56.287 -0.023 0.000 0.942 25 K CB 1.811 34.328 32.500 0.028 0.000 1.153 25 K HN 0.421 nan 8.250 nan 0.000 0.452 26 V N 2.029 121.931 119.914 -0.020 0.000 2.567 26 V HA 0.365 4.485 4.120 0.001 0.000 0.289 26 V C 0.334 176.425 176.094 -0.004 0.000 1.049 26 V CA -0.508 61.785 62.300 -0.012 0.000 0.969 26 V CB 1.491 33.303 31.823 -0.019 0.000 0.995 26 V HN 0.828 nan 8.190 nan 0.000 0.471 27 T N 2.842 117.394 114.554 -0.003 0.000 2.890 27 T HA 0.677 5.027 4.350 0.001 0.000 0.295 27 T C -0.929 173.768 174.700 -0.006 0.000 0.993 27 T CA -0.620 61.480 62.100 -0.000 0.000 0.979 27 T CB 0.664 69.535 68.868 0.005 0.000 0.967 27 T HN 0.364 nan 8.240 nan 0.000 0.441 28 L N 3.184 124.400 121.223 -0.011 0.000 2.275 28 L HA 0.549 4.890 4.340 0.001 0.000 0.288 28 L C 1.279 178.142 176.870 -0.013 0.000 1.046 28 L CA -0.752 54.078 54.840 -0.018 0.000 0.805 28 L CB 1.352 43.394 42.059 -0.028 0.000 1.193 28 L HN 0.793 nan 8.230 nan 0.000 0.426 29 E N 3.733 123.926 120.200 -0.013 0.000 2.062 29 E HA 0.156 4.506 4.350 0.001 0.000 0.196 29 E C -1.736 174.859 176.600 -0.008 0.000 0.949 29 E CA -0.437 55.959 56.400 -0.007 0.000 0.889 29 E CB 0.004 29.703 29.700 -0.002 0.000 0.928 29 E HN 0.441 nan 8.360 nan 0.000 0.476 30 P HA -0.030 nan 4.420 nan 0.000 0.254 30 P C -1.243 176.038 177.300 -0.032 0.000 1.186 30 P CA 1.060 64.150 63.100 -0.016 0.000 0.868 30 P CB 0.013 31.701 31.700 -0.020 0.000 0.856 31 L N 3.461 124.679 121.223 -0.007 0.000 2.404 31 L HA 0.279 4.619 4.340 0.001 0.000 0.272 31 L C 0.577 177.484 176.870 0.062 0.000 0.980 31 L CA -0.904 53.940 54.840 0.006 0.000 0.836 31 L CB 1.802 43.888 42.059 0.045 0.000 1.238 31 L HN 0.177 nan 8.230 nan 0.000 0.408 32 E N 3.261 123.496 120.200 0.058 0.000 2.418 32 E HA 0.108 4.459 4.350 0.001 0.000 0.261 32 E C -0.042 176.734 176.600 0.294 0.000 1.070 32 E CA -0.383 56.119 56.400 0.169 0.000 0.931 32 E CB 0.704 30.517 29.700 0.189 0.000 0.954 32 E HN 0.268 nan 8.360 nan 0.000 0.439 33 R N 0.319 120.946 120.500 0.210 0.000 2.566 33 R HA -0.024 4.316 4.340 0.001 0.000 0.273 33 R C 1.267 177.672 176.300 0.176 0.000 0.981 33 R CA 1.146 57.349 56.100 0.171 0.000 1.091 33 R CB -0.432 29.937 30.300 0.116 0.000 0.924 33 R HN 0.913 nan 8.270 nan 0.000 0.411 34 G N 2.087 110.968 108.800 0.136 0.000 2.253 34 G HA2 -0.336 3.625 3.960 0.001 0.000 0.251 34 G HA3 -0.336 3.625 3.960 0.001 0.000 0.251 34 G C 0.772 175.662 174.900 -0.017 0.000 0.998 34 G CA 0.261 45.389 45.100 0.046 0.000 0.621 34 G HN 0.538 nan 8.290 nan 0.000 0.524 35 F N 1.914 121.893 119.950 0.049 0.000 2.558 35 F HA 0.258 4.785 4.527 0.000 0.000 0.298 35 F C 2.651 178.440 175.800 -0.018 0.000 1.119 35 F CA 1.405 59.410 58.000 0.009 0.000 1.451 35 F CB -0.153 38.839 39.000 -0.013 0.000 1.091 35 F HN 0.288 nan 8.300 nan 0.000 0.563 36 G N -0.437 108.446 108.800 0.138 0.000 2.453 36 G HA2 -0.275 3.685 3.960 0.001 0.000 0.215 36 G HA3 -0.275 3.685 3.960 0.001 0.000 0.215 36 G C 1.201 176.040 174.900 -0.102 0.000 1.201 36 G CA 1.011 46.103 45.100 -0.014 0.000 0.784 36 G HN 0.376 nan 8.290 nan 0.000 0.545 37 H N -0.257 118.850 119.070 0.061 0.000 2.457 37 H HA 0.063 4.619 4.556 0.001 0.000 0.294 37 H C 2.876 178.162 175.328 -0.070 0.000 1.064 37 H CA 1.496 57.577 56.048 0.056 0.000 1.330 37 H CB -0.091 29.742 29.762 0.118 0.000 1.395 37 H HN 0.278 nan 8.280 nan 0.000 0.541 38 T N 0.567 115.143 114.554 0.038 0.000 2.701 38 T HA -0.087 4.263 4.350 0.001 0.000 0.263 38 T C 2.088 176.758 174.700 -0.050 0.000 1.040 38 T CA 1.071 63.149 62.100 -0.036 0.000 1.147 38 T CB -0.202 68.584 68.868 -0.137 0.000 0.865 38 T HN 0.203 nan 8.240 nan 0.000 0.426 39 L N 0.489 121.690 121.223 -0.037 0.000 2.072 39 L HA 0.077 4.418 4.340 0.001 0.000 0.205 39 L C 3.069 179.807 176.870 -0.220 0.000 1.079 39 L CA 1.184 55.980 54.840 -0.073 0.000 0.752 39 L CB -1.114 40.928 42.059 -0.028 0.000 0.906 39 L HN 0.358 nan 8.230 nan 0.000 0.436 40 G N 0.408 108.962 108.800 -0.411 0.000 2.469 40 G HA2 -0.318 3.642 3.960 0.001 0.000 0.219 40 G HA3 -0.318 3.642 3.960 0.001 0.000 0.219 40 G C 1.299 175.669 174.900 -0.883 0.000 1.150 40 G CA 1.406 45.917 45.100 -0.982 0.000 0.763 40 G HN 0.416 nan 8.290 nan 0.000 0.561 41 N N 0.532 118.963 118.700 -0.448 0.000 2.300 41 N HA 0.183 4.923 4.740 0.001 0.000 0.179 41 N C 2.423 177.892 175.510 -0.068 0.000 1.016 41 N CA 0.859 53.846 53.050 -0.105 0.000 0.876 41 N CB -0.120 38.392 38.487 0.041 0.000 0.979 41 N HN 0.346 nan 8.380 nan 0.000 0.432 42 A N 0.989 123.756 122.820 -0.088 0.000 1.855 42 A HA -0.068 4.253 4.320 0.001 0.000 0.215 42 A C 2.076 179.632 177.584 -0.048 0.000 1.191 42 A CA 1.030 53.039 52.037 -0.048 0.000 0.613 42 A CB -0.820 18.156 19.000 -0.039 0.000 0.829 42 A HN 0.160 nan 8.150 nan 0.000 0.442 43 L N -1.106 120.068 121.223 -0.082 0.000 1.994 43 L HA -0.164 4.176 4.340 0.001 0.000 0.208 43 L C 2.780 179.626 176.870 -0.041 0.000 1.071 43 L CA 1.766 56.567 54.840 -0.065 0.000 0.745 43 L CB -0.540 41.467 42.059 -0.088 0.000 0.892 43 L HN 0.456 nan 8.230 nan 0.000 0.431 44 R N 0.408 120.878 120.500 -0.050 0.000 2.170 44 R HA -0.204 4.136 4.340 0.001 0.000 0.242 44 R C 2.084 178.404 176.300 0.032 0.000 1.145 44 R CA 1.401 57.516 56.100 0.025 0.000 0.984 44 R CB -0.119 30.252 30.300 0.117 0.000 0.869 44 R HN 0.397 nan 8.270 nan 0.000 0.455 45 A N 0.512 123.343 122.820 0.018 0.000 1.975 45 A HA 0.023 4.343 4.320 0.001 0.000 0.215 45 A C 1.950 179.546 177.584 0.019 0.000 1.170 45 A CA 0.465 52.517 52.037 0.025 0.000 0.656 45 A CB -0.022 18.991 19.000 0.022 0.000 0.821 45 A HN 0.218 nan 8.150 nan 0.000 0.449 46 I N 0.047 120.623 120.570 0.009 0.000 2.233 46 I HA -0.146 4.024 4.170 0.001 0.000 0.243 46 I C 2.410 178.534 176.117 0.012 0.000 1.093 46 I CA 1.019 62.324 61.300 0.008 0.000 1.380 46 I CB -1.364 36.636 38.000 -0.001 0.000 1.067 46 I HN 0.263 nan 8.210 nan 0.000 0.413 47 L N 0.338 121.566 121.223 0.008 0.000 2.046 47 L HA -0.173 4.167 4.340 0.001 0.000 0.208 47 L C 2.325 179.207 176.870 0.020 0.000 1.077 47 L CA 1.233 56.079 54.840 0.011 0.000 0.747 47 L CB -0.480 41.582 42.059 0.005 0.000 0.896 47 L HN 0.200 nan 8.230 nan 0.000 0.432 48 L N -0.607 120.631 121.223 0.025 0.000 2.650 48 L HA -0.046 4.294 4.340 0.001 0.000 0.235 48 L C 1.487 178.379 176.870 0.037 0.000 1.149 48 L CA 0.745 55.603 54.840 0.029 0.000 0.887 48 L CB -0.209 41.869 42.059 0.032 0.000 1.021 48 L HN 0.458 nan 8.230 nan 0.000 0.441 49 S N -5.587 110.136 115.700 0.040 0.000 2.290 49 S HA 0.024 4.495 4.470 0.001 0.000 0.266 49 S C 1.018 175.647 174.600 0.050 0.000 0.995 49 S CA -0.128 58.104 58.200 0.052 0.000 1.482 49 S CB 0.093 63.322 63.200 0.049 0.000 1.176 49 S HN 0.060 nan 8.310 nan 0.000 0.599 50 S N 2.267 117.988 115.700 0.034 0.000 2.593 50 S HA 0.495 4.966 4.470 0.001 0.000 0.236 50 S C 0.041 174.651 174.600 0.018 0.000 0.991 50 S CA -0.393 57.821 58.200 0.023 0.000 0.963 50 S CB 0.006 63.214 63.200 0.014 0.000 0.865 50 S HN 0.374 nan 8.310 nan 0.000 0.488 51 M N 2.499 122.116 119.600 0.028 0.000 2.217 51 M HA 0.328 4.808 4.480 0.001 0.000 0.354 51 M C -2.084 174.234 176.300 0.031 0.000 1.225 51 M CA -2.801 52.514 55.300 0.024 0.000 1.137 51 M CB -0.359 32.258 32.600 0.028 0.000 1.576 51 M HN -0.113 nan 8.290 nan 0.000 0.461 52 P HA 0.169 nan 4.420 nan 0.000 0.211 52 P C -0.123 177.207 177.300 0.050 0.000 1.158 52 P CA 0.563 63.663 63.100 -0.000 0.000 0.704 52 P CB 0.055 31.746 31.700 -0.014 0.000 0.618 53 G N -2.347 106.483 108.800 0.049 0.000 2.716 53 G HA2 -0.140 3.820 3.960 0.001 0.000 0.686 53 G HA3 -0.140 3.820 3.960 0.001 0.000 0.686 53 G C -0.583 174.409 174.900 0.153 0.000 1.337 53 G CA -0.832 44.321 45.100 0.088 0.000 0.829 53 G HN 0.566 nan 8.290 nan 0.000 0.599 54 C N 1.157 120.530 119.300 0.122 0.000 2.463 54 C HA 0.939 5.399 4.460 0.001 0.000 0.380 54 C C 0.995 176.058 174.990 0.123 0.000 1.264 54 C CA 0.923 60.025 59.018 0.140 0.000 2.161 54 C CB 0.317 28.100 27.740 0.072 0.000 2.515 54 C HN 1.988 nan 8.230 nan 0.000 0.565 55 A N 2.522 125.412 122.820 0.116 0.000 2.574 55 A HA 0.664 4.985 4.320 0.001 0.000 0.297 55 A C -1.077 176.460 177.584 -0.078 0.000 1.062 55 A CA -0.360 51.640 52.037 -0.062 0.000 0.686 55 A CB 0.645 19.442 19.000 -0.338 0.000 1.285 55 A HN 0.632 nan 8.150 nan 0.000 0.403 56 V N 2.208 122.070 119.914 -0.088 0.000 2.521 56 V HA 0.320 4.440 4.120 0.001 0.000 0.286 56 V C 1.502 177.539 176.094 -0.095 0.000 1.034 56 V CA 1.159 63.424 62.300 -0.058 0.000 1.045 56 V CB 0.612 32.413 31.823 -0.037 0.000 0.974 56 V HN 1.219 nan 8.190 nan 0.000 0.480 57 T N 1.089 115.611 114.554 -0.052 0.000 2.999 57 T HA 0.328 4.678 4.350 0.001 0.000 0.247 57 T C 0.364 175.049 174.700 -0.025 0.000 1.012 57 T CA -0.114 61.956 62.100 -0.051 0.000 1.048 57 T CB 0.437 69.310 68.868 0.008 0.000 1.020 57 T HN 0.617 nan 8.240 nan 0.000 0.478 58 E N 0.029 120.222 120.200 -0.012 0.000 2.408 58 E HA 0.709 5.060 4.350 0.001 0.000 0.275 58 E C -1.880 174.716 176.600 -0.007 0.000 0.935 58 E CA -1.125 55.270 56.400 -0.008 0.000 0.775 58 E CB 3.156 32.855 29.700 -0.002 0.000 1.277 58 E HN 0.053 nan 8.360 nan 0.000 0.455 59 V N 0.899 120.808 119.914 -0.009 0.000 2.851 59 V HA 0.310 4.430 4.120 0.001 0.000 0.307 59 V C -1.086 175.001 176.094 -0.011 0.000 1.129 59 V CA -0.761 61.534 62.300 -0.008 0.000 0.932 59 V CB 2.065 33.884 31.823 -0.007 0.000 1.024 59 V HN 0.696 nan 8.190 nan 0.000 0.426 60 E N 3.814 124.007 120.200 -0.011 0.000 2.255 60 E HA 0.546 4.896 4.350 0.001 0.000 0.245 60 E C -1.254 175.337 176.600 -0.015 0.000 0.909 60 E CA -0.402 55.990 56.400 -0.014 0.000 0.747 60 E CB 1.049 30.742 29.700 -0.012 0.000 1.215 60 E HN 0.648 nan 8.360 nan 0.000 0.424 61 I N 2.841 123.401 120.570 -0.017 0.000 2.365 61 I HA 0.155 4.325 4.170 0.001 0.000 0.291 61 I C 0.345 176.451 176.117 -0.017 0.000 1.004 61 I CA -0.716 60.574 61.300 -0.016 0.000 1.311 61 I CB 1.022 39.013 38.000 -0.016 0.000 1.401 61 I HN 0.336 nan 8.210 nan 0.000 0.491 62 D N 4.811 125.201 120.400 -0.015 0.000 2.425 62 D HA 0.164 4.804 4.640 0.001 0.000 0.247 62 D C 1.075 177.366 176.300 -0.015 0.000 1.147 62 D CA 1.352 55.344 54.000 -0.014 0.000 0.879 62 D CB 1.371 42.163 40.800 -0.012 0.000 1.179 62 D HN 0.913 nan 8.370 nan 0.000 0.456 63 G N 1.718 110.509 108.800 -0.016 0.000 2.284 63 G HA2 -0.279 3.681 3.960 0.001 0.000 0.247 63 G HA3 -0.279 3.681 3.960 0.001 0.000 0.247 63 G C 0.398 175.285 174.900 -0.022 0.000 1.012 63 G CA 0.192 45.282 45.100 -0.017 0.000 0.618 63 G HN 0.523 nan 8.290 nan 0.000 0.521 64 V N 3.262 123.161 119.914 -0.025 0.000 2.432 64 V HA 0.523 4.643 4.120 0.001 0.000 0.271 64 V C 1.670 177.735 176.094 -0.048 0.000 1.046 64 V CA 0.286 62.565 62.300 -0.035 0.000 0.945 64 V CB 1.061 32.866 31.823 -0.030 0.000 0.992 64 V HN 0.568 nan 8.190 nan 0.000 0.471 65 L N 3.000 124.183 121.223 -0.065 0.000 2.265 65 L HA 0.480 4.820 4.340 0.001 0.000 0.195 65 L C 1.344 178.141 176.870 -0.123 0.000 1.083 65 L CA 0.708 55.499 54.840 -0.080 0.000 0.798 65 L CB -0.709 41.305 42.059 -0.075 0.000 0.989 65 L HN 0.642 nan 8.230 nan 0.000 0.472 66 H N -0.608 118.348 119.070 -0.189 0.000 2.544 66 H HA 0.741 5.297 4.556 0.001 0.000 0.342 66 H C 1.238 176.404 175.328 -0.271 0.000 1.185 66 H CA 0.057 55.907 56.048 -0.329 0.000 1.264 66 H CB 0.471 29.857 29.762 -0.626 0.000 1.607 66 H HN 0.335 nan 8.280 nan 0.000 0.550 67 E N -0.158 119.885 120.200 -0.262 0.000 2.268 67 E HA -0.027 4.323 4.350 0.001 0.000 0.195 67 E C 0.928 177.535 176.600 0.012 0.000 0.995 67 E CA 1.300 57.655 56.400 -0.075 0.000 0.836 67 E CB -0.693 29.018 29.700 0.017 0.000 0.763 67 E HN 0.970 nan 8.360 nan 0.000 0.491 68 Y N 0.266 120.567 120.300 0.002 0.000 2.801 68 Y HA 0.551 5.101 4.550 0.000 0.000 0.318 68 Y C 0.583 176.484 175.900 0.003 0.000 1.073 68 Y CA -0.684 57.418 58.100 0.003 0.000 1.360 68 Y CB -0.636 37.826 38.460 0.003 0.000 1.220 68 Y HN 0.105 nan 8.280 nan 0.000 0.536 69 S N -0.782 114.923 115.700 0.009 0.000 2.681 69 S HA 0.669 5.140 4.470 0.001 0.000 0.299 69 S C 0.353 174.964 174.600 0.019 0.000 1.113 69 S CA -0.237 57.965 58.200 0.003 0.000 1.013 69 S CB 1.570 64.734 63.200 -0.060 0.000 1.076 69 S HN 0.466 nan 8.310 nan 0.000 0.534 70 T N -1.192 113.373 114.554 0.018 0.000 2.753 70 T HA 0.618 4.968 4.350 0.001 0.000 0.309 70 T C -0.366 174.338 174.700 0.007 0.000 1.043 70 T CA -0.412 61.699 62.100 0.017 0.000 0.964 70 T CB 0.076 68.954 68.868 0.017 0.000 1.206 70 T HN 0.819 nan 8.240 nan 0.000 0.528 71 K N 0.535 120.940 120.400 0.008 0.000 2.570 71 K HA 0.235 4.555 4.320 0.001 0.000 0.256 71 K C -1.524 175.080 176.600 0.007 0.000 0.939 71 K CA -0.470 55.820 56.287 0.005 0.000 0.833 71 K CB 1.396 33.899 32.500 0.005 0.000 1.318 71 K HN 0.884 nan 8.250 nan 0.000 0.433 72 E N 2.754 122.956 120.200 0.004 0.000 2.105 72 E HA 0.484 4.834 4.350 0.001 0.000 0.285 72 E C 0.452 177.056 176.600 0.006 0.000 1.055 72 E CA -0.227 56.176 56.400 0.005 0.000 0.843 72 E CB 0.683 30.384 29.700 0.003 0.000 1.067 72 E HN 0.837 nan 8.360 nan 0.000 0.398 73 G N 2.147 110.952 108.800 0.008 0.000 2.144 73 G HA2 -0.226 3.734 3.960 0.001 0.000 0.218 73 G HA3 -0.226 3.734 3.960 0.001 0.000 0.218 73 G C -0.133 174.777 174.900 0.017 0.000 0.988 73 G CA -0.075 45.031 45.100 0.011 0.000 0.659 73 G HN 0.510 nan 8.290 nan 0.000 0.522 74 V N 1.181 121.106 119.914 0.019 0.000 2.487 74 V HA 0.418 4.538 4.120 0.001 0.000 0.298 74 V C 1.402 177.517 176.094 0.035 0.000 1.028 74 V CA 0.231 62.548 62.300 0.028 0.000 0.860 74 V CB 1.656 33.490 31.823 0.019 0.000 0.991 74 V HN 0.413 nan 8.190 nan 0.000 0.427 75 Q N 3.385 123.218 119.800 0.055 0.000 1.985 75 Q HA -0.161 4.180 4.340 0.001 0.000 0.207 75 Q C 0.851 176.875 176.000 0.040 0.000 0.996 75 Q CA 1.837 57.668 55.803 0.046 0.000 0.851 75 Q CB 0.153 28.927 28.738 0.061 0.000 0.921 75 Q HN 0.850 nan 8.270 nan 0.000 0.418 76 E N 2.115 122.349 120.200 0.056 0.000 2.313 76 E HA 0.108 4.459 4.350 0.001 0.000 0.272 76 E C -0.761 175.857 176.600 0.031 0.000 1.038 76 E CA -0.264 56.162 56.400 0.043 0.000 0.863 76 E CB 0.773 30.504 29.700 0.052 0.000 1.060 76 E HN 0.327 nan 8.360 nan 0.000 0.402 77 D N 1.325 121.743 120.400 0.029 0.000 2.357 77 D HA -0.003 4.637 4.640 0.001 0.000 0.242 77 D C 1.272 177.588 176.300 0.027 0.000 1.153 77 D CA -0.667 53.350 54.000 0.029 0.000 0.918 77 D CB 0.664 41.484 40.800 0.034 0.000 1.181 77 D HN 0.234 nan 8.370 nan 0.000 0.435 78 I N 0.318 120.904 120.570 0.026 0.000 2.236 78 I HA -0.281 3.890 4.170 0.001 0.000 0.249 78 I C 2.114 178.246 176.117 0.026 0.000 1.102 78 I CA 1.193 62.505 61.300 0.020 0.000 1.365 78 I CB -1.056 36.952 38.000 0.013 0.000 1.051 78 I HN 0.596 nan 8.210 nan 0.000 0.420 79 L N 0.216 121.462 121.223 0.039 0.000 2.017 79 L HA -0.219 4.122 4.340 0.001 0.000 0.208 79 L C 2.527 179.417 176.870 0.034 0.000 1.073 79 L CA 1.477 56.343 54.840 0.042 0.000 0.745 79 L CB -0.590 41.499 42.059 0.051 0.000 0.894 79 L HN 0.277 nan 8.230 nan 0.000 0.432 80 E N 0.116 120.334 120.200 0.031 0.000 2.160 80 E HA -0.226 4.124 4.350 0.001 0.000 0.195 80 E C 2.210 178.824 176.600 0.023 0.000 0.991 80 E CA 1.159 57.576 56.400 0.028 0.000 0.810 80 E CB -0.087 29.631 29.700 0.029 0.000 0.742 80 E HN 0.538 nan 8.360 nan 0.000 0.466 81 I N 0.738 121.319 120.570 0.017 0.000 2.286 81 I HA -0.242 3.929 4.170 0.001 0.000 0.245 81 I C 2.255 178.381 176.117 0.016 0.000 1.104 81 I CA 0.839 62.143 61.300 0.007 0.000 1.397 81 I CB -0.169 37.831 38.000 0.001 0.000 1.072 81 I HN 0.108 nan 8.210 nan 0.000 0.417 82 L N 0.091 121.326 121.223 0.020 0.000 2.093 82 L HA -0.200 4.140 4.340 0.001 0.000 0.208 82 L C 2.556 179.444 176.870 0.030 0.000 1.085 82 L CA 0.884 55.737 54.840 0.021 0.000 0.755 82 L CB -0.481 41.589 42.059 0.019 0.000 0.904 82 L HN 0.289 nan 8.230 nan 0.000 0.435 83 L N -0.068 121.176 121.223 0.035 0.000 2.141 83 L HA -0.130 4.211 4.340 0.001 0.000 0.209 83 L C 2.086 178.991 176.870 0.059 0.000 1.094 83 L CA 1.652 56.518 54.840 0.042 0.000 0.763 83 L CB -0.582 41.501 42.059 0.039 0.000 0.908 83 L HN 0.194 nan 8.230 nan 0.000 0.437 84 N N -0.491 118.243 118.700 0.057 0.000 2.250 84 N HA -0.059 4.681 4.740 0.001 0.000 0.181 84 N C 1.821 177.437 175.510 0.177 0.000 1.017 84 N CA 1.384 54.486 53.050 0.087 0.000 0.866 84 N CB -0.282 38.202 38.487 -0.005 0.000 0.985 84 N HN 0.356 nan 8.380 nan 0.000 0.429 85 L N 0.973 122.255 121.223 0.099 0.000 2.201 85 L HA -0.076 4.265 4.340 0.001 0.000 0.212 85 L C 1.965 178.863 176.870 0.047 0.000 1.105 85 L CA 0.954 55.844 54.840 0.084 0.000 0.775 85 L CB -0.150 41.930 42.059 0.036 0.000 0.913 85 L HN 0.118 nan 8.230 nan 0.000 0.440 86 K N -0.081 120.341 120.400 0.037 0.000 2.097 86 K HA -0.101 4.219 4.320 0.001 0.000 0.206 86 K C 1.796 178.383 176.600 -0.022 0.000 1.049 86 K CA 1.284 57.573 56.287 0.004 0.000 0.933 86 K CB -0.427 32.085 32.500 0.020 0.000 0.717 86 K HN 0.366 nan 8.250 nan 0.000 0.442 87 G N 1.077 109.873 108.800 -0.006 0.000 3.210 87 G HA2 -0.001 3.959 3.960 0.001 0.000 0.220 87 G HA3 -0.001 3.959 3.960 0.001 0.000 0.220 87 G C 0.186 174.838 174.900 -0.413 0.000 1.200 87 G CA -0.321 44.705 45.100 -0.123 0.000 0.834 87 G HN 0.092 nan 8.290 nan 0.000 0.524 88 L N 2.040 123.116 121.223 -0.244 0.000 2.342 88 L HA 0.479 4.819 4.340 0.001 0.000 0.285 88 L C 0.227 176.994 176.870 -0.171 0.000 1.095 88 L CA -0.378 54.312 54.840 -0.250 0.000 0.843 88 L CB 0.737 42.765 42.059 -0.051 0.000 1.201 88 L HN 0.126 nan 8.230 nan 0.000 0.445 89 A N 5.965 128.668 122.820 -0.196 0.000 2.279 89 A HA 0.569 4.889 4.320 0.001 0.000 0.306 89 A C -0.550 176.999 177.584 -0.057 0.000 1.300 89 A CA -0.375 51.600 52.037 -0.103 0.000 0.925 89 A CB 0.630 19.571 19.000 -0.098 0.000 1.152 89 A HN 0.478 nan 8.150 nan 0.000 0.544 90 V N 3.427 123.324 119.914 -0.029 0.000 2.656 90 V HA 0.516 4.636 4.120 0.001 0.000 0.307 90 V C 0.139 176.236 176.094 0.004 0.000 1.051 90 V CA -0.741 61.554 62.300 -0.008 0.000 0.893 90 V CB 1.938 33.760 31.823 -0.002 0.000 0.999 90 V HN 0.914 nan 8.190 nan 0.000 0.426 91 R N 3.346 123.851 120.500 0.007 0.000 2.288 91 R HA 0.697 5.037 4.340 0.001 0.000 0.326 91 R C -1.593 174.716 176.300 0.014 0.000 0.959 91 R CA -0.257 55.850 56.100 0.011 0.000 0.834 91 R CB 1.510 31.816 30.300 0.009 0.000 1.157 91 R HN 0.574 nan 8.270 nan 0.000 0.470 92 V N 4.433 124.357 119.914 0.016 0.000 2.547 92 V HA 0.110 4.230 4.120 0.001 0.000 0.299 92 V C 1.481 177.583 176.094 0.013 0.000 1.040 92 V CA -0.585 61.725 62.300 0.016 0.000 0.913 92 V CB 1.637 33.471 31.823 0.018 0.000 0.992 92 V HN 0.861 nan 8.190 nan 0.000 0.449 93 Q N 2.926 122.732 119.800 0.011 0.000 1.800 93 Q HA -0.146 4.194 4.340 0.001 0.000 0.292 93 Q C 0.785 176.789 176.000 0.006 0.000 1.027 93 Q CA 2.160 57.968 55.803 0.008 0.000 0.890 93 Q CB -0.199 28.544 28.738 0.008 0.000 0.968 93 Q HN 0.944 nan 8.270 nan 0.000 0.415 94 G N 0.444 109.248 108.800 0.006 0.000 2.845 94 G HA2 0.519 4.479 3.960 0.001 0.000 0.282 94 G HA3 0.519 4.479 3.960 0.001 0.000 0.282 94 G C -1.578 173.324 174.900 0.004 0.000 1.546 94 G CA -0.353 44.749 45.100 0.003 0.000 1.089 94 G HN 0.188 nan 8.290 nan 0.000 0.558 95 K N 1.701 122.104 120.400 0.005 0.000 2.663 95 K HA 0.103 4.424 4.320 0.001 0.000 0.267 95 K C -1.106 175.498 176.600 0.008 0.000 1.004 95 K CA -0.616 55.675 56.287 0.006 0.000 0.947 95 K CB 1.630 34.135 32.500 0.009 0.000 1.372 95 K HN 0.313 nan 8.250 nan 0.000 0.411 96 D N 2.540 122.942 120.400 0.004 0.000 2.325 96 D HA 0.025 4.666 4.640 0.001 0.000 0.225 96 D C -0.592 175.719 176.300 0.018 0.000 1.096 96 D CA 0.713 54.715 54.000 0.004 0.000 0.844 96 D CB 0.544 41.337 40.800 -0.012 0.000 0.925 96 D HN 0.477 nan 8.370 nan 0.000 0.513 97 E N 0.344 120.556 120.200 0.021 0.000 2.647 97 E HA 0.258 4.608 4.350 0.001 0.000 0.320 97 E C -2.175 174.438 176.600 0.020 0.000 0.951 97 E CA -0.381 56.035 56.400 0.026 0.000 0.809 97 E CB 1.794 31.507 29.700 0.023 0.000 1.295 97 E HN -0.158 nan 8.360 nan 0.000 0.407 98 V N 5.824 125.751 119.914 0.023 0.000 2.760 98 V HA 0.513 4.633 4.120 0.001 0.000 0.309 98 V C -1.177 174.926 176.094 0.014 0.000 1.077 98 V CA -0.741 61.569 62.300 0.017 0.000 0.910 98 V CB 1.794 33.627 31.823 0.017 0.000 1.008 98 V HN 0.620 nan 8.190 nan 0.000 0.424 99 I N 6.943 127.519 120.570 0.010 0.000 2.336 99 I HA 0.421 4.591 4.170 0.001 0.000 0.292 99 I C -0.194 175.924 176.117 0.002 0.000 0.991 99 I CA -0.256 61.047 61.300 0.006 0.000 1.227 99 I CB 1.364 39.366 38.000 0.004 0.000 1.366 99 I HN 0.427 nan 8.210 nan 0.000 0.466 100 L N 6.036 127.258 121.223 -0.001 0.000 2.307 100 L HA 0.467 4.808 4.340 0.001 0.000 0.284 100 L C 0.350 177.212 176.870 -0.014 0.000 1.023 100 L CA -0.599 54.237 54.840 -0.007 0.000 0.810 100 L CB 1.948 44.004 42.059 -0.006 0.000 1.231 100 L HN 0.613 nan 8.230 nan 0.000 0.423 101 T N 1.251 115.791 114.554 -0.023 0.000 2.824 101 T HA 0.562 4.912 4.350 0.001 0.000 0.280 101 T C -0.462 174.213 174.700 -0.041 0.000 0.995 101 T CA -0.681 61.402 62.100 -0.028 0.000 1.009 101 T CB 2.014 70.867 68.868 -0.026 0.000 0.955 101 T HN 0.431 nan 8.240 nan 0.000 0.452 102 L N 3.610 124.812 121.223 -0.035 0.000 2.388 102 L HA 0.451 4.791 4.340 0.001 0.000 0.267 102 L C -1.162 175.687 176.870 -0.036 0.000 0.995 102 L CA -0.691 54.125 54.840 -0.041 0.000 0.864 102 L CB 1.001 43.041 42.059 -0.032 0.000 1.216 102 L HN 0.731 nan 8.230 nan 0.000 0.430 103 N N 4.974 123.649 118.700 -0.041 0.000 2.408 103 N HA 0.459 5.199 4.740 0.001 0.000 0.280 103 N C -0.976 174.515 175.510 -0.031 0.000 1.002 103 N CA -0.470 52.562 53.050 -0.031 0.000 0.907 103 N CB 2.338 40.808 38.487 -0.028 0.000 1.161 103 N HN 0.385 nan 8.380 nan 0.000 0.488 104 K N 1.143 121.528 120.400 -0.024 0.000 2.588 104 K HA 0.259 4.579 4.320 0.001 0.000 0.250 104 K C -1.363 175.229 176.600 -0.014 0.000 0.972 104 K CA -0.399 55.875 56.287 -0.022 0.000 0.821 104 K CB 1.487 33.970 32.500 -0.029 0.000 1.249 104 K HN 0.707 nan 8.250 nan 0.000 0.442 105 S N 0.993 116.687 115.700 -0.009 0.000 2.500 105 S HA 0.954 5.424 4.470 0.001 0.000 0.301 105 S C 0.198 174.797 174.600 -0.001 0.000 1.092 105 S CA -0.166 58.032 58.200 -0.004 0.000 1.030 105 S CB 2.186 65.384 63.200 -0.003 0.000 1.031 105 S HN 0.942 nan 8.310 nan 0.000 0.483 106 G N 1.313 110.115 108.800 0.002 0.000 2.403 106 G HA2 0.330 4.290 3.960 0.001 0.000 0.223 106 G HA3 0.330 4.290 3.960 0.001 0.000 0.223 106 G C -2.037 172.870 174.900 0.011 0.000 1.287 106 G CA -0.310 44.794 45.100 0.006 0.000 0.982 106 G HN 1.015 nan 8.290 nan 0.000 0.471 107 I N 0.362 120.941 120.570 0.015 0.000 2.689 107 I HA 0.894 5.065 4.170 0.001 0.000 0.299 107 I C 0.753 176.892 176.117 0.036 0.000 1.059 107 I CA 0.069 61.383 61.300 0.024 0.000 1.055 107 I CB 1.419 39.430 38.000 0.019 0.000 1.243 107 I HN 2.340 nan 8.210 nan 0.000 0.425 108 G N 3.708 112.546 108.800 0.064 0.000 2.566 108 G HA2 0.010 3.970 3.960 0.001 0.000 0.599 108 G HA3 0.010 3.970 3.960 0.001 0.000 0.599 108 G C -3.202 171.768 174.900 0.118 0.000 1.292 108 G CA -0.940 44.222 45.100 0.103 0.000 0.922 108 G HN 0.628 nan 8.290 nan 0.000 0.514 109 P HA 0.439 nan 4.420 nan 0.000 0.276 109 P C -0.148 177.064 177.300 -0.146 0.000 1.230 109 P CA -0.095 62.901 63.100 -0.173 0.000 0.776 109 P CB 1.489 33.084 31.700 -0.176 0.000 0.888 110 V N 4.304 124.099 119.914 -0.198 0.000 2.320 110 V HA 0.196 4.317 4.120 0.001 0.000 0.265 110 V C 1.267 177.271 176.094 -0.149 0.000 1.048 110 V CA -0.080 62.145 62.300 -0.125 0.000 0.865 110 V CB 0.287 32.050 31.823 -0.101 0.000 1.043 110 V HN 0.719 nan 8.190 nan 0.000 0.474 111 T N 2.054 116.545 114.554 -0.106 0.000 2.884 111 T HA 0.607 4.957 4.350 0.001 0.000 0.277 111 T C 1.364 176.045 174.700 -0.032 0.000 0.976 111 T CA -0.000 62.046 62.100 -0.090 0.000 0.956 111 T CB 1.815 70.648 68.868 -0.058 0.000 1.113 111 T HN 0.544 nan 8.240 nan 0.000 0.554 112 A N 0.001 122.835 122.820 0.023 0.000 2.121 112 A HA 0.303 4.623 4.320 0.001 0.000 0.218 112 A C 2.431 180.028 177.584 0.022 0.000 1.154 112 A CA 1.334 53.403 52.037 0.053 0.000 0.679 112 A CB -1.407 17.663 19.000 0.116 0.000 0.795 112 A HN 1.182 nan 8.150 nan 0.000 0.458 113 A N -0.109 122.720 122.820 0.015 0.000 2.066 113 A HA -0.070 4.251 4.320 0.001 0.000 0.218 113 A C 1.406 178.986 177.584 -0.006 0.000 1.157 113 A CA 1.379 53.424 52.037 0.014 0.000 0.670 113 A CB -0.256 18.755 19.000 0.020 0.000 0.804 113 A HN 0.445 nan 8.150 nan 0.000 0.453 114 D N -0.112 120.273 120.400 -0.024 0.000 2.355 114 D HA 0.098 4.738 4.640 0.001 0.000 0.218 114 D C 0.555 176.807 176.300 -0.080 0.000 1.004 114 D CA 0.170 54.143 54.000 -0.046 0.000 0.880 114 D CB -0.037 40.737 40.800 -0.042 0.000 0.911 114 D HN 0.439 nan 8.370 nan 0.000 0.528 115 I N 2.188 122.716 120.570 -0.070 0.000 2.648 115 I HA -0.059 4.111 4.170 0.001 0.000 0.284 115 I C 0.939 176.951 176.117 -0.174 0.000 1.153 115 I CA -0.090 61.158 61.300 -0.086 0.000 1.426 115 I CB 0.589 38.564 38.000 -0.042 0.000 1.381 115 I HN -0.089 nan 8.210 nan 0.000 0.571 116 T N 2.913 117.345 114.554 -0.203 0.000 2.792 116 T HA 0.004 4.355 4.350 0.001 0.000 0.286 116 T C 0.179 174.722 174.700 -0.262 0.000 0.970 116 T CA -0.685 61.206 62.100 -0.349 0.000 1.187 116 T CB -0.540 68.217 68.868 -0.185 0.000 0.915 116 T HN 0.520 nan 8.240 nan 0.000 0.529 117 H N 1.278 120.351 119.070 0.005 0.000 3.286 117 H HA 0.336 4.893 4.556 0.001 0.000 0.245 117 H C 0.082 175.413 175.328 0.005 0.000 0.932 117 H CA -0.527 55.525 56.048 0.005 0.000 1.407 117 H CB -0.305 29.460 29.762 0.005 0.000 1.540 117 H HN 0.583 nan 8.280 nan 0.000 0.516 118 D N 2.242 122.704 120.400 0.104 0.000 2.177 118 D HA 0.202 4.843 4.640 0.001 0.000 0.247 118 D C 1.330 177.667 176.300 0.062 0.000 1.063 118 D CA -0.222 53.820 54.000 0.070 0.000 0.867 118 D CB 1.463 42.286 40.800 0.037 0.000 1.168 118 D HN 0.623 nan 8.370 nan 0.000 0.445 119 G N 2.748 111.577 108.800 0.047 0.000 2.402 119 G HA2 -0.240 3.721 3.960 0.001 0.000 0.216 119 G HA3 -0.240 3.721 3.960 0.001 0.000 0.216 119 G C 1.106 176.022 174.900 0.026 0.000 1.162 119 G CA 0.358 45.477 45.100 0.032 0.000 0.777 119 G HN 0.581 nan 8.290 nan 0.000 0.539 120 D N 0.086 120.500 120.400 0.023 0.000 2.149 120 D HA -0.066 4.575 4.640 0.001 0.000 0.198 120 D C 1.158 177.470 176.300 0.019 0.000 0.990 120 D CA 0.603 54.614 54.000 0.019 0.000 0.839 120 D CB 0.026 40.836 40.800 0.017 0.000 0.948 120 D HN 0.106 nan 8.370 nan 0.000 0.460 121 V N 0.787 120.715 119.914 0.024 0.000 2.686 121 V HA 0.156 4.277 4.120 0.001 0.000 0.295 121 V C 0.266 176.374 176.094 0.024 0.000 1.057 121 V CA -0.336 61.977 62.300 0.022 0.000 1.012 121 V CB 1.864 33.699 31.823 0.021 0.000 1.006 121 V HN -0.012 nan 8.190 nan 0.000 0.477 122 E N 3.574 123.785 120.200 0.019 0.000 2.218 122 E HA 0.469 4.819 4.350 0.001 0.000 0.263 122 E C -1.393 175.216 176.600 0.015 0.000 0.879 122 E CA -0.625 55.786 56.400 0.019 0.000 0.762 122 E CB 1.522 31.230 29.700 0.015 0.000 1.166 122 E HN 0.637 nan 8.360 nan 0.000 0.415 123 I N 5.883 126.464 120.570 0.018 0.000 2.291 123 I HA 0.079 4.249 4.170 0.001 0.000 0.290 123 I C 1.256 177.380 176.117 0.012 0.000 1.050 123 I CA -0.373 60.935 61.300 0.014 0.000 1.245 123 I CB 1.430 39.443 38.000 0.021 0.000 1.405 123 I HN 0.559 nan 8.210 nan 0.000 0.478 124 V N 5.398 125.313 119.914 0.001 0.000 2.287 124 V HA -0.205 3.915 4.120 0.001 0.000 0.248 124 V C 1.312 177.410 176.094 0.007 0.000 1.053 124 V CA 1.682 63.982 62.300 -0.000 0.000 1.027 124 V CB -0.351 31.465 31.823 -0.012 0.000 0.646 124 V HN 0.631 nan 8.190 nan 0.000 0.447 125 K N 0.688 121.092 120.400 0.006 0.000 2.540 125 K HA 0.243 4.563 4.320 0.001 0.000 0.218 125 K C -1.909 174.729 176.600 0.064 0.000 1.017 125 K CA -1.745 54.561 56.287 0.032 0.000 1.029 125 K CB 1.718 34.236 32.500 0.030 0.000 1.348 125 K HN 0.131 nan 8.250 nan 0.000 0.508 126 P HA -0.227 nan 4.420 nan 0.000 0.219 126 P C 0.714 178.047 177.300 0.055 0.000 1.146 126 P CA 1.106 64.237 63.100 0.051 0.000 0.808 126 P CB 0.263 31.985 31.700 0.037 0.000 0.779 127 Q N -0.544 119.290 119.800 0.057 0.000 2.466 127 Q HA -0.091 4.249 4.340 0.001 0.000 0.210 127 Q C 0.604 176.637 176.000 0.056 0.000 0.961 127 Q CA 0.233 56.062 55.803 0.043 0.000 0.953 127 Q CB -1.155 27.606 28.738 0.038 0.000 1.011 127 Q HN 0.459 nan 8.270 nan 0.000 0.516 128 H N 1.279 120.341 119.070 -0.012 0.000 2.944 128 H HA 0.197 4.753 4.556 0.001 0.000 0.278 128 H C -0.801 174.504 175.328 -0.039 0.000 1.083 128 H CA -0.347 55.690 56.048 -0.017 0.000 1.479 128 H CB 0.752 30.506 29.762 -0.013 0.000 1.486 128 H HN -0.066 nan 8.280 nan 0.000 0.493 129 V N 8.445 128.089 119.914 -0.449 0.000 2.479 129 V HA -0.049 4.072 4.120 0.001 0.000 0.281 129 V C 1.421 177.177 176.094 -0.563 0.000 1.031 129 V CA 0.351 62.393 62.300 -0.431 0.000 1.038 129 V CB 0.658 32.286 31.823 -0.326 0.000 0.981 129 V HN 0.790 nan 8.190 nan 0.000 0.478 130 I N 2.551 122.904 120.570 -0.363 0.000 3.339 130 I HA 0.158 4.328 4.170 0.001 0.000 0.285 130 I C 0.845 176.849 176.117 -0.190 0.000 1.201 130 I CA 0.802 61.965 61.300 -0.228 0.000 1.434 130 I CB 0.572 38.508 38.000 -0.106 0.000 1.152 130 I HN 0.585 nan 8.210 nan 0.000 0.443 131 C N -1.157 117.985 119.300 -0.263 0.000 3.340 131 C HA 0.509 4.969 4.460 0.001 0.000 0.333 131 C C -1.204 173.530 174.990 -0.427 0.000 1.464 131 C CA -0.533 58.350 59.018 -0.226 0.000 1.337 131 C CB 1.809 29.479 27.740 -0.116 0.000 1.740 131 C HN 0.340 nan 8.230 nan 0.000 0.450 132 H N 0.716 119.768 119.070 -0.030 0.000 3.275 132 H HA 0.416 4.973 4.556 0.001 0.000 0.326 132 H C -1.130 174.187 175.328 -0.017 0.000 1.096 132 H CA -0.303 55.731 56.048 -0.024 0.000 1.579 132 H CB 0.780 30.529 29.762 -0.023 0.000 1.834 132 H HN 0.369 nan 8.280 nan 0.000 0.510 133 L N 3.145 124.421 121.223 0.088 0.000 2.281 133 L HA 0.150 4.490 4.340 0.001 0.000 0.285 133 L C 1.516 178.417 176.870 0.050 0.000 1.074 133 L CA -0.158 54.711 54.840 0.049 0.000 0.817 133 L CB 1.168 43.241 42.059 0.023 0.000 1.168 133 L HN 0.804 nan 8.230 nan 0.000 0.434 134 T N -0.918 113.658 114.554 0.036 0.000 2.668 134 T HA -0.085 4.266 4.350 0.001 0.000 0.258 134 T C 0.585 175.293 174.700 0.014 0.000 1.051 134 T CA 0.464 62.577 62.100 0.022 0.000 1.155 134 T CB -0.150 68.726 68.868 0.014 0.000 0.864 134 T HN 0.692 nan 8.240 nan 0.000 0.413 135 D N 0.597 121.003 120.400 0.011 0.000 2.340 135 D HA 0.121 4.762 4.640 0.001 0.000 0.251 135 D C 0.611 176.917 176.300 0.008 0.000 1.080 135 D CA -0.647 53.357 54.000 0.008 0.000 0.971 135 D CB 1.469 42.272 40.800 0.006 0.000 1.137 135 D HN 0.006 nan 8.370 nan 0.000 0.475 136 E N -0.065 120.139 120.200 0.007 0.000 2.347 136 E HA -0.078 4.272 4.350 0.001 0.000 0.196 136 E C 0.712 177.315 176.600 0.005 0.000 1.008 136 E CA 0.402 56.806 56.400 0.006 0.000 0.852 136 E CB 0.013 29.716 29.700 0.005 0.000 0.783 136 E HN 0.427 nan 8.360 nan 0.000 0.505 137 N N 0.314 119.016 118.700 0.004 0.000 2.322 137 N HA 0.048 4.789 4.740 0.001 0.000 0.194 137 N C -0.011 175.500 175.510 0.003 0.000 1.126 137 N CA 0.065 53.116 53.050 0.003 0.000 0.845 137 N CB 0.571 39.059 38.487 0.002 0.000 0.976 137 N HN -0.023 nan 8.380 nan 0.000 0.475 138 A N 0.908 123.730 122.820 0.004 0.000 2.316 138 A HA 0.618 4.938 4.320 0.001 0.000 0.284 138 A C 0.317 177.902 177.584 0.002 0.000 1.115 138 A CA -0.281 51.759 52.037 0.004 0.000 0.812 138 A CB 0.600 19.605 19.000 0.008 0.000 1.064 138 A HN 0.180 nan 8.150 nan 0.000 0.489 139 S N 0.482 116.181 115.700 -0.001 0.000 2.543 139 S HA 0.676 5.146 4.470 0.001 0.000 0.274 139 S C -0.895 173.700 174.600 -0.007 0.000 1.149 139 S CA -0.670 57.528 58.200 -0.005 0.000 0.866 139 S CB 0.442 63.639 63.200 -0.005 0.000 1.111 139 S HN 1.187 nan 8.310 nan 0.000 0.457 140 I N -0.092 120.471 120.570 -0.012 0.000 2.608 140 I HA 0.847 5.017 4.170 0.001 0.000 0.295 140 I C -0.437 175.670 176.117 -0.017 0.000 1.049 140 I CA -0.843 60.449 61.300 -0.014 0.000 1.063 140 I CB 2.132 40.121 38.000 -0.018 0.000 1.248 140 I HN 0.642 nan 8.210 nan 0.000 0.424 141 S N 7.265 122.956 115.700 -0.016 0.000 2.789 141 S HA 0.756 5.227 4.470 0.001 0.000 0.286 141 S C -0.727 173.863 174.600 -0.016 0.000 1.153 141 S CA -0.676 57.514 58.200 -0.017 0.000 1.084 141 S CB 0.702 63.894 63.200 -0.014 0.000 1.036 141 S HN 0.733 nan 8.310 nan 0.000 0.484 142 M N 2.691 122.280 119.600 -0.018 0.000 2.550 142 M HA 0.760 5.240 4.480 0.001 0.000 0.292 142 M C -1.503 174.788 176.300 -0.015 0.000 1.221 142 M CA -0.956 54.335 55.300 -0.016 0.000 0.873 142 M CB 1.996 34.587 32.600 -0.015 0.000 1.727 142 M HN 0.280 nan 8.290 nan 0.000 0.459 143 R N 2.246 122.739 120.500 -0.012 0.000 2.275 143 R HA 0.631 4.971 4.340 0.001 0.000 0.326 143 R C -1.245 175.051 176.300 -0.007 0.000 0.973 143 R CA -0.206 55.888 56.100 -0.010 0.000 0.854 143 R CB 0.657 30.952 30.300 -0.008 0.000 1.156 143 R HN 0.708 nan 8.270 nan 0.000 0.487 144 I N 2.357 122.923 120.570 -0.006 0.000 2.312 144 I HA 0.199 4.369 4.170 0.001 0.000 0.291 144 I C 0.394 176.511 176.117 0.001 0.000 1.031 144 I CA -0.463 60.835 61.300 -0.003 0.000 1.293 144 I CB 0.970 38.970 38.000 -0.001 0.000 1.403 144 I HN 0.365 nan 8.210 nan 0.000 0.484 145 K N 6.490 126.891 120.400 0.002 0.000 2.276 145 K HA 0.446 4.767 4.320 0.001 0.000 0.285 145 K C -1.107 175.501 176.600 0.014 0.000 1.062 145 K CA -0.402 55.891 56.287 0.009 0.000 0.918 145 K CB 0.887 33.393 32.500 0.011 0.000 1.055 145 K HN 0.437 nan 8.250 nan 0.000 0.477 146 V N 5.297 125.224 119.914 0.023 0.000 2.384 146 V HA 0.268 4.389 4.120 0.001 0.000 0.287 146 V C -0.389 175.744 176.094 0.065 0.000 1.020 146 V CA -0.752 61.568 62.300 0.034 0.000 0.850 146 V CB 1.312 33.151 31.823 0.026 0.000 0.987 146 V HN 0.833 nan 8.190 nan 0.000 0.436 147 Q N 2.398 122.270 119.800 0.119 0.000 2.399 147 Q HA 0.629 4.969 4.340 0.001 0.000 0.276 147 Q C -0.631 175.505 176.000 0.228 0.000 1.098 147 Q CA -1.116 54.786 55.803 0.164 0.000 0.827 147 Q CB 2.803 31.658 28.738 0.195 0.000 1.386 147 Q HN 0.612 nan 8.270 nan 0.000 0.443 148 R N 0.127 120.685 120.500 0.096 0.000 2.221 148 R HA 0.555 4.895 4.340 0.001 0.000 0.327 148 R C -0.501 175.671 176.300 -0.213 0.000 1.033 148 R CA 0.282 56.391 56.100 0.016 0.000 0.887 148 R CB 0.415 30.705 30.300 -0.017 0.000 1.057 148 R HN 0.729 nan 8.270 nan 0.000 0.455 149 G N 2.301 110.819 108.800 -0.470 0.000 3.058 149 G HA2 0.513 4.473 3.960 0.001 0.000 0.282 149 G HA3 0.513 4.473 3.960 0.001 0.000 0.282 149 G C -1.549 173.004 174.900 -0.578 0.000 1.248 149 G CA -0.764 43.619 45.100 -1.195 0.000 0.822 149 G HN 0.495 nan 8.290 nan 0.000 0.579 150 R N -1.006 119.189 120.500 -0.509 0.000 2.533 150 R HA 0.572 4.913 4.340 0.001 0.000 0.288 150 R C 0.476 176.831 176.300 0.092 0.000 1.039 150 R CA 1.013 57.053 56.100 -0.100 0.000 0.909 150 R CB 1.126 31.365 30.300 -0.101 0.000 1.195 150 R HN 2.025 nan 8.270 nan 0.000 0.438 151 G N 2.685 111.580 108.800 0.159 0.000 2.575 151 G HA2 -0.347 3.613 3.960 0.001 0.000 0.267 151 G HA3 -0.347 3.613 3.960 0.001 0.000 0.267 151 G C -1.393 173.711 174.900 0.340 0.000 1.264 151 G CA 0.584 45.808 45.100 0.208 0.000 0.935 151 G HN 0.865 nan 8.290 nan 0.000 0.568 152 Y N -0.065 120.314 120.300 0.132 0.000 2.328 152 Y HA 0.605 5.156 4.550 0.001 0.000 0.333 152 Y C -0.184 175.770 175.900 0.091 0.000 0.958 152 Y CA -1.002 57.154 58.100 0.092 0.000 1.167 152 Y CB 1.721 40.204 38.460 0.038 0.000 1.151 152 Y HN 0.587 nan 8.280 nan 0.000 0.470 153 V N 9.223 128.981 119.914 -0.261 0.000 2.304 153 V HA 0.391 4.511 4.120 0.001 0.000 0.278 153 V C -2.247 173.537 176.094 -0.516 0.000 1.018 153 V CA -1.998 60.116 62.300 -0.310 0.000 0.814 153 V CB 0.808 32.635 31.823 0.006 0.000 1.021 153 V HN 0.727 nan 8.190 nan 0.000 0.440 154 P HA 0.173 nan 4.420 nan 0.000 0.271 154 P C 0.900 178.081 177.300 -0.199 0.000 1.244 154 P CA 0.082 62.905 63.100 -0.462 0.000 0.793 154 P CB 0.837 32.333 31.700 -0.340 0.000 0.984 155 A N 1.128 123.884 122.820 -0.106 0.000 1.877 155 A HA -0.201 4.119 4.320 0.001 0.000 0.216 155 A C 2.218 179.776 177.584 -0.043 0.000 1.186 155 A CA 2.464 54.468 52.037 -0.054 0.000 0.620 155 A CB -2.018 16.971 19.000 -0.018 0.000 0.822 155 A HN 0.631 nan 8.150 nan 0.000 0.443 156 S N 0.331 116.008 115.700 -0.038 0.000 2.380 156 S HA -0.220 4.251 4.470 0.001 0.000 0.229 156 S C 1.551 176.134 174.600 -0.029 0.000 1.043 156 S CA 2.014 60.200 58.200 -0.022 0.000 1.038 156 S CB -1.794 61.398 63.200 -0.014 0.000 0.872 156 S HN 0.921 nan 8.310 nan 0.000 0.456 157 T N -0.952 113.570 114.554 -0.053 0.000 3.473 157 T HA 0.419 4.769 4.350 0.001 0.000 0.247 157 T C 0.676 175.356 174.700 -0.033 0.000 1.010 157 T CA -0.449 61.624 62.100 -0.045 0.000 0.940 157 T CB -0.417 68.412 68.868 -0.066 0.000 1.068 157 T HN 0.506 nan 8.240 nan 0.000 0.604 158 R N -0.301 120.184 120.500 -0.025 0.000 2.527 158 R HA 0.347 4.688 4.340 0.001 0.000 0.402 158 R C 0.381 176.677 176.300 -0.006 0.000 0.933 158 R CA -0.060 56.032 56.100 -0.013 0.000 1.171 158 R CB 0.686 30.976 30.300 -0.016 0.000 1.612 158 R HN 0.512 nan 8.270 nan 0.000 0.546 159 I N 1.186 121.753 120.570 -0.005 0.000 2.421 159 I HA 0.452 4.622 4.170 0.001 0.000 0.291 159 I C 1.010 177.127 176.117 0.001 0.000 1.089 159 I CA -0.218 61.082 61.300 0.001 0.000 1.354 159 I CB -1.250 36.752 38.000 0.003 0.000 1.413 159 I HN 0.467 nan 8.210 nan 0.000 0.513 165 E N -1.168 119.031 120.200 -0.001 0.000 3.760 165 E HA 0.108 4.458 4.350 0.001 0.000 0.260 165 E C -0.066 176.532 176.600 -0.003 0.000 1.261 165 E CA 0.620 57.019 56.400 -0.002 0.000 1.765 165 E CB 0.714 30.413 29.700 -0.000 0.000 1.932 165 E HN 0.693 nan 8.360 nan 0.000 0.787 166 R N 1.206 121.703 120.500 -0.005 0.000 2.782 166 R HA 0.434 4.775 4.340 0.001 0.000 0.293 166 R C -2.231 174.062 176.300 -0.011 0.000 1.333 166 R CA -1.128 54.968 56.100 -0.007 0.000 1.479 166 R CB 0.885 31.181 30.300 -0.007 0.000 1.306 166 R HN -0.048 nan 8.270 nan 0.000 0.654 167 P HA -0.221 nan 4.420 nan 0.000 0.218 167 P C 1.078 178.363 177.300 -0.024 0.000 1.152 167 P CA 1.983 65.074 63.100 -0.015 0.000 0.857 167 P CB 0.048 31.741 31.700 -0.012 0.000 0.787 168 I N -0.564 119.992 120.570 -0.023 0.000 2.576 168 I HA 0.458 4.628 4.170 0.001 0.000 0.288 168 I C 1.718 177.817 176.117 -0.030 0.000 1.126 168 I CA 0.610 61.892 61.300 -0.030 0.000 1.362 168 I CB -1.307 36.679 38.000 -0.024 0.000 1.419 168 I HN 0.374 nan 8.210 nan 0.000 0.533 169 G N 2.745 111.522 108.800 -0.039 0.000 3.586 169 G HA2 0.064 4.024 3.960 0.001 0.000 0.212 169 G HA3 0.064 4.024 3.960 0.001 0.000 0.212 169 G C 1.127 176.008 174.900 -0.032 0.000 1.411 169 G CA 0.438 45.516 45.100 -0.036 0.000 0.898 169 G HN 2.401 nan 8.290 nan 0.000 0.575 170 R N 1.370 121.856 120.500 -0.024 0.000 2.633 170 R HA 0.541 4.882 4.340 0.001 0.000 0.357 170 R C 0.599 176.886 176.300 -0.022 0.000 0.923 170 R CA 1.066 57.154 56.100 -0.019 0.000 1.046 170 R CB -1.195 29.097 30.300 -0.013 0.000 0.924 170 R HN 0.872 nan 8.270 nan 0.000 0.413 171 L N 3.556 124.766 121.223 -0.022 0.000 2.290 171 L HA 0.361 4.701 4.340 0.001 0.000 0.284 171 L C 0.358 177.220 176.870 -0.013 0.000 1.078 171 L CA -0.476 54.352 54.840 -0.021 0.000 0.815 171 L CB 1.069 43.115 42.059 -0.021 0.000 1.162 171 L HN 0.539 nan 8.230 nan 0.000 0.435 172 L N 4.371 125.588 121.223 -0.010 0.000 2.371 172 L HA 0.478 4.818 4.340 0.001 0.000 0.272 172 L C -0.013 176.851 176.870 -0.010 0.000 1.124 172 L CA -0.340 54.494 54.840 -0.010 0.000 0.816 172 L CB 1.626 43.679 42.059 -0.009 0.000 1.129 172 L HN 0.375 nan 8.230 nan 0.000 0.448 173 V N 2.123 122.024 119.914 -0.021 0.000 2.656 173 V HA 0.347 4.467 4.120 0.001 0.000 0.307 173 V C -0.681 175.384 176.094 -0.048 0.000 1.051 173 V CA -0.782 61.505 62.300 -0.022 0.000 0.893 173 V CB 2.190 34.002 31.823 -0.018 0.000 0.999 173 V HN 0.663 nan 8.190 nan 0.000 0.426 174 D N 5.205 125.587 120.400 -0.031 0.000 2.472 174 D HA 0.309 4.949 4.640 0.001 0.000 0.248 174 D C 0.332 176.580 176.300 -0.088 0.000 1.174 174 D CA 0.784 54.755 54.000 -0.049 0.000 0.883 174 D CB 1.371 42.205 40.800 0.057 0.000 1.149 174 D HN 0.906 nan 8.370 nan 0.000 0.488 175 A N 2.691 125.383 122.820 -0.213 0.000 2.269 175 A HA 0.341 4.662 4.320 0.001 0.000 0.302 175 A C 0.023 177.444 177.584 -0.272 0.000 1.266 175 A CA -0.643 51.148 52.037 -0.411 0.000 0.894 175 A CB 0.393 18.895 19.000 -0.829 0.000 1.147 175 A HN 0.683 nan 8.150 nan 0.000 0.537 176 C N 3.955 123.157 119.300 -0.164 0.000 2.364 176 C HA 0.288 4.748 4.460 0.001 0.000 0.405 176 C C 0.857 175.841 174.990 -0.009 0.000 1.122 176 C CA -0.494 58.544 59.018 0.034 0.000 1.601 176 C CB -2.431 25.334 27.740 0.042 0.000 1.601 176 C HN 0.934 nan 8.230 nan 0.000 0.509 177 Y N 0.954 121.303 120.300 0.082 0.000 2.207 177 Y HA -0.110 4.440 4.550 0.001 0.000 0.287 177 Y C 2.078 177.999 175.900 0.036 0.000 1.156 177 Y CA 1.354 59.481 58.100 0.045 0.000 1.182 177 Y CB -0.340 38.142 38.460 0.036 0.000 0.979 177 Y HN 0.502 nan 8.280 nan 0.000 0.521 178 S N 2.103 117.927 115.700 0.206 0.000 2.531 178 S HA 0.075 4.546 4.470 0.001 0.000 0.279 178 S C -1.490 173.153 174.600 0.072 0.000 1.305 178 S CA -1.405 56.866 58.200 0.118 0.000 1.058 178 S CB 0.673 63.932 63.200 0.097 0.000 0.899 178 S HN 0.066 nan 8.310 nan 0.000 0.493 179 P HA 0.091 nan 4.420 nan 0.000 0.245 179 P C -0.280 177.029 177.300 0.016 0.000 1.212 179 P CA 0.150 63.267 63.100 0.028 0.000 0.774 179 P CB 0.070 31.784 31.700 0.024 0.000 0.999 180 V N 1.325 121.250 119.914 0.019 0.000 2.333 180 V HA 0.144 4.265 4.120 0.001 0.000 0.274 180 V C 1.439 177.537 176.094 0.006 0.000 1.028 180 V CA 0.080 62.386 62.300 0.009 0.000 0.851 180 V CB 1.081 32.910 31.823 0.011 0.000 1.000 180 V HN -0.019 nan 8.190 nan 0.000 0.456 181 E N 3.645 123.846 120.200 0.001 0.000 2.250 181 E HA 0.076 4.427 4.350 0.001 0.000 0.192 181 E C 0.606 177.204 176.600 -0.002 0.000 0.986 181 E CA 0.223 56.620 56.400 -0.005 0.000 0.849 181 E CB 0.512 30.211 29.700 -0.002 0.000 0.797 181 E HN 0.666 nan 8.360 nan 0.000 0.482 182 R N 0.196 120.699 120.500 0.005 0.000 2.579 182 R HA 0.314 4.654 4.340 0.001 0.000 0.260 182 R C -1.867 174.437 176.300 0.008 0.000 1.103 182 R CA -0.401 55.706 56.100 0.011 0.000 0.942 182 R CB 0.535 30.850 30.300 0.024 0.000 1.251 182 R HN -0.201 nan 8.270 nan 0.000 0.450 183 I N 1.980 122.562 120.570 0.020 0.000 2.608 183 I HA 0.887 5.057 4.170 0.001 0.000 0.295 183 I C -0.551 175.597 176.117 0.052 0.000 1.049 183 I CA -0.735 60.583 61.300 0.030 0.000 1.063 183 I CB 1.697 39.724 38.000 0.045 0.000 1.248 183 I HN 0.979 nan 8.210 nan 0.000 0.424 184 A N 5.496 128.353 122.820 0.063 0.000 2.574 184 A HA 0.824 5.145 4.320 0.001 0.000 0.297 184 A C -1.842 175.811 177.584 0.114 0.000 1.062 184 A CA -0.496 51.574 52.037 0.054 0.000 0.686 184 A CB 2.032 21.043 19.000 0.019 0.000 1.285 184 A HN 0.724 nan 8.150 nan 0.000 0.403 185 Y N 0.392 120.688 120.300 -0.006 0.000 2.562 185 Y HA 0.821 5.371 4.550 0.001 0.000 0.345 185 Y C -1.092 174.793 175.900 -0.024 0.000 1.045 185 Y CA -1.306 56.782 58.100 -0.021 0.000 1.028 185 Y CB 1.540 39.983 38.460 -0.030 0.000 1.297 185 Y HN 0.546 nan 8.280 nan 0.000 0.463 186 N N 1.540 120.282 118.700 0.070 0.000 2.235 186 N HA 0.361 5.102 4.740 0.001 0.000 0.293 186 N C -0.348 175.192 175.510 0.050 0.000 1.083 186 N CA -0.617 52.422 53.050 -0.018 0.000 0.801 186 N CB 2.843 41.320 38.487 -0.017 0.000 1.559 186 N HN 0.614 nan 8.380 nan 0.000 0.472 187 V N 0.831 120.729 119.914 -0.025 0.000 2.725 187 V HA -0.011 4.110 4.120 0.001 0.000 0.247 187 V C 0.173 176.263 176.094 -0.007 0.000 1.058 187 V CA 0.624 62.890 62.300 -0.056 0.000 1.080 187 V CB -0.710 30.964 31.823 -0.248 0.000 0.713 187 V HN 0.724 nan 8.190 nan 0.000 0.465 188 E N 0.185 120.390 120.200 0.008 0.000 4.327 188 E HA -0.238 4.112 4.350 0.001 0.000 0.402 188 E C 0.192 176.807 176.600 0.025 0.000 0.319 188 E CA 0.204 56.615 56.400 0.020 0.000 1.197 188 E CB -0.143 29.568 29.700 0.017 0.000 0.578 188 E HN 0.593 nan 8.360 nan 0.000 0.369 189 A N 2.737 125.574 122.820 0.029 0.000 2.476 189 A HA 0.381 4.702 4.320 0.001 0.000 0.275 189 A C 0.580 178.179 177.584 0.024 0.000 1.133 189 A CA 0.528 52.583 52.037 0.030 0.000 0.797 189 A CB 0.281 19.299 19.000 0.030 0.000 1.081 189 A HN 0.669 nan 8.150 nan 0.000 0.510 190 A N 4.814 127.649 122.820 0.024 0.000 2.805 190 A HA 0.320 4.641 4.320 0.001 0.000 0.301 190 A C 0.746 178.341 177.584 0.019 0.000 1.557 190 A CA -0.592 51.457 52.037 0.019 0.000 1.254 190 A CB -0.239 18.772 19.000 0.017 0.000 1.114 190 A HN 0.660 nan 8.150 nan 0.000 0.553 191 R N 2.249 122.760 120.500 0.018 0.000 4.432 191 R HA 0.013 4.353 4.340 0.001 0.000 0.165 191 R C 0.164 176.472 176.300 0.014 0.000 1.929 191 R CA 0.082 56.192 56.100 0.016 0.000 1.469 191 R CB -1.261 29.048 30.300 0.015 0.000 1.368 191 R HN 0.514 nan 8.270 nan 0.000 0.811 192 V N 1.834 121.757 119.914 0.015 0.000 3.061 192 V HA -0.148 3.972 4.120 0.001 0.000 0.306 192 V C 1.998 178.099 176.094 0.011 0.000 1.118 192 V CA 0.395 62.702 62.300 0.012 0.000 1.231 192 V CB 0.590 32.421 31.823 0.013 0.000 0.956 192 V HN 0.575 nan 8.190 nan 0.000 0.499 193 E N 2.439 122.645 120.200 0.009 0.000 2.114 193 E HA -0.268 4.083 4.350 0.001 0.000 0.199 193 E C 1.633 178.238 176.600 0.008 0.000 1.008 193 E CA 2.050 58.455 56.400 0.008 0.000 0.810 193 E CB 0.058 29.762 29.700 0.006 0.000 0.739 193 E HN 0.857 nan 8.360 nan 0.000 0.456 194 Q N -0.247 119.558 119.800 0.009 0.000 2.631 194 Q HA 0.130 4.471 4.340 0.001 0.000 0.220 194 Q C 1.219 177.226 176.000 0.011 0.000 0.819 194 Q CA -0.105 55.703 55.803 0.009 0.000 0.914 194 Q CB -0.206 28.536 28.738 0.007 0.000 1.248 194 Q HN -0.053 nan 8.270 nan 0.000 0.629 195 R N 0.614 121.122 120.500 0.013 0.000 3.016 195 R HA 0.108 4.449 4.340 0.001 0.000 0.285 195 R C 0.711 177.022 176.300 0.019 0.000 1.041 195 R CA 1.333 57.443 56.100 0.017 0.000 1.196 195 R CB -0.279 30.032 30.300 0.019 0.000 1.160 195 R HN 0.462 nan 8.270 nan 0.000 0.530 196 T N -1.391 113.177 114.554 0.024 0.000 3.328 196 T HA -0.003 4.347 4.350 0.001 0.000 0.297 196 T C 0.103 174.822 174.700 0.032 0.000 0.882 196 T CA 0.040 62.155 62.100 0.025 0.000 0.906 196 T CB 0.113 68.994 68.868 0.022 0.000 1.210 196 T HN 0.698 nan 8.240 nan 0.000 0.631 197 D N 0.934 121.356 120.400 0.038 0.000 2.369 197 D HA 0.155 4.795 4.640 0.001 0.000 0.211 197 D C 0.474 176.808 176.300 0.057 0.000 1.077 197 D CA -0.264 53.765 54.000 0.049 0.000 0.842 197 D CB 0.338 41.171 40.800 0.055 0.000 0.947 197 D HN 0.409 nan 8.370 nan 0.000 0.509 198 L N 1.234 122.484 121.223 0.046 0.000 2.350 198 L HA 0.316 4.656 4.340 0.001 0.000 0.275 198 L C 0.197 177.093 176.870 0.043 0.000 1.099 198 L CA -0.340 54.527 54.840 0.045 0.000 0.808 198 L CB 1.131 43.209 42.059 0.031 0.000 1.149 198 L HN -0.185 nan 8.230 nan 0.000 0.442 199 D N 1.649 122.078 120.400 0.048 0.000 2.525 199 D HA 0.502 5.142 4.640 0.001 0.000 0.249 199 D C -0.728 175.587 176.300 0.026 0.000 1.072 199 D CA -0.488 53.536 54.000 0.040 0.000 1.067 199 D CB 1.962 42.793 40.800 0.050 0.000 1.282 199 D HN 0.403 nan 8.370 nan 0.000 0.587 200 K N 0.076 120.487 120.400 0.019 0.000 2.565 200 K HA 0.498 4.819 4.320 0.001 0.000 0.249 200 K C -1.371 175.235 176.600 0.010 0.000 0.958 200 K CA -0.891 55.403 56.287 0.011 0.000 0.806 200 K CB 1.722 34.228 32.500 0.011 0.000 1.194 200 K HN 0.169 nan 8.250 nan 0.000 0.434 201 L N 3.494 124.719 121.223 0.004 0.000 2.278 201 L HA 0.266 4.607 4.340 0.001 0.000 0.287 201 L C -1.117 175.767 176.870 0.022 0.000 1.072 201 L CA -0.212 54.633 54.840 0.008 0.000 0.819 201 L CB 1.368 43.411 42.059 -0.027 0.000 1.176 201 L HN 0.561 nan 8.230 nan 0.000 0.435 202 V N 7.512 127.455 119.914 0.049 0.000 2.318 202 V HA 0.340 4.460 4.120 0.001 0.000 0.271 202 V C 0.347 176.484 176.094 0.072 0.000 1.030 202 V CA -0.351 61.976 62.300 0.045 0.000 0.844 202 V CB 0.657 32.502 31.823 0.037 0.000 1.015 202 V HN 0.579 nan 8.190 nan 0.000 0.460 203 I N 4.183 124.779 120.570 0.045 0.000 2.297 203 I HA 0.345 4.516 4.170 0.001 0.000 0.291 203 I C 0.498 176.614 176.117 -0.001 0.000 1.033 203 I CA -0.120 61.209 61.300 0.049 0.000 1.253 203 I CB 1.038 39.047 38.000 0.016 0.000 1.396 203 I HN 0.603 nan 8.210 nan 0.000 0.476 204 E N 7.472 127.670 120.200 -0.004 0.000 2.167 204 E HA 0.410 4.760 4.350 0.001 0.000 0.284 204 E C -0.980 175.527 176.600 -0.155 0.000 1.016 204 E CA -0.480 55.863 56.400 -0.094 0.000 0.817 204 E CB 1.118 30.806 29.700 -0.019 0.000 1.080 204 E HN 0.523 nan 8.360 nan 0.000 0.397 205 M N 3.467 122.892 119.600 -0.292 0.000 2.456 205 M HA 0.241 4.722 4.480 0.001 0.000 0.324 205 M C -0.879 175.238 176.300 -0.305 0.000 1.124 205 M CA -0.394 54.774 55.300 -0.220 0.000 0.959 205 M CB 1.836 34.353 32.600 -0.140 0.000 1.692 205 M HN 0.410 nan 8.290 nan 0.000 0.444 206 E N 2.481 122.614 120.200 -0.112 0.000 2.518 206 E HA 0.242 4.593 4.350 0.001 0.000 0.240 206 E C -1.277 175.324 176.600 0.001 0.000 0.996 206 E CA -0.166 56.232 56.400 -0.004 0.000 0.768 206 E CB 1.370 31.122 29.700 0.087 0.000 1.329 206 E HN 0.669 nan 8.360 nan 0.000 0.408 207 T N 1.236 115.789 114.554 -0.003 0.000 2.852 207 T HA 0.149 4.500 4.350 0.001 0.000 0.281 207 T C 1.008 175.712 174.700 0.007 0.000 0.993 207 T CA -0.323 61.777 62.100 -0.000 0.000 0.933 207 T CB 0.662 69.526 68.868 -0.006 0.000 1.187 207 T HN 0.582 nan 8.240 nan 0.000 0.559 208 N N -0.293 118.408 118.700 0.001 0.000 2.235 208 N HA 0.245 4.986 4.740 0.001 0.000 0.209 208 N C 1.220 176.724 175.510 -0.010 0.000 1.122 208 N CA 0.812 53.857 53.050 -0.009 0.000 0.845 208 N CB -0.058 38.418 38.487 -0.017 0.000 1.004 208 N HN 0.977 nan 8.380 nan 0.000 0.499 209 G N 0.172 108.972 108.800 -0.001 0.000 2.320 209 G HA2 -0.399 3.561 3.960 0.001 0.000 0.242 209 G HA3 -0.399 3.561 3.960 0.001 0.000 0.242 209 G C 1.105 176.005 174.900 0.000 0.000 1.033 209 G CA 0.881 45.981 45.100 0.001 0.000 0.620 209 G HN 0.663 nan 8.290 nan 0.000 0.517 210 T N -1.384 113.170 114.554 -0.001 0.000 3.098 210 T HA 0.466 4.816 4.350 0.001 0.000 0.266 210 T C 0.938 175.642 174.700 0.007 0.000 1.145 210 T CA 1.284 63.386 62.100 0.003 0.000 1.092 210 T CB 0.428 69.300 68.868 0.006 0.000 0.908 210 T HN 0.988 nan 8.240 nan 0.000 0.526 211 I N 0.860 121.433 120.570 0.005 0.000 2.619 211 I HA 0.336 4.507 4.170 0.001 0.000 0.292 211 I C -1.437 174.680 176.117 -0.000 0.000 1.100 211 I CA -1.095 60.207 61.300 0.004 0.000 1.043 211 I CB 2.085 40.088 38.000 0.005 0.000 1.239 211 I HN -0.051 nan 8.210 nan 0.000 0.420 212 D N 8.721 129.121 120.400 -0.001 0.000 2.304 212 D HA 0.189 4.830 4.640 0.001 0.000 0.247 212 D C -1.668 174.627 176.300 -0.008 0.000 1.089 212 D CA -1.250 52.748 54.000 -0.003 0.000 0.910 212 D CB 1.393 42.191 40.800 -0.002 0.000 1.199 212 D HN 0.340 nan 8.370 nan 0.000 0.426 213 P HA -0.222 nan 4.420 nan 0.000 0.213 213 P C 1.244 178.534 177.300 -0.018 0.000 1.170 213 P CA 1.347 64.435 63.100 -0.021 0.000 0.902 213 P CB 0.406 32.091 31.700 -0.025 0.000 0.789 214 E N 0.700 120.892 120.200 -0.014 0.000 2.118 214 E HA -0.230 4.120 4.350 0.001 0.000 0.195 214 E C 2.145 178.738 176.600 -0.012 0.000 0.992 214 E CA 1.578 57.971 56.400 -0.013 0.000 0.804 214 E CB -0.274 29.420 29.700 -0.010 0.000 0.741 214 E HN 0.432 nan 8.360 nan 0.000 0.458 215 E N -0.201 119.993 120.200 -0.010 0.000 2.274 215 E HA -0.080 4.270 4.350 0.001 0.000 0.194 215 E C 1.883 178.477 176.600 -0.009 0.000 0.996 215 E CA 0.774 57.169 56.400 -0.008 0.000 0.840 215 E CB -0.058 29.638 29.700 -0.006 0.000 0.772 215 E HN 0.285 nan 8.360 nan 0.000 0.491 216 A N 1.453 124.267 122.820 -0.010 0.000 1.929 216 A HA -0.041 4.279 4.320 0.001 0.000 0.216 216 A C 2.172 179.748 177.584 -0.013 0.000 1.176 216 A CA 0.837 52.868 52.037 -0.009 0.000 0.628 216 A CB -0.246 18.748 19.000 -0.011 0.000 0.816 216 A HN 0.250 nan 8.150 nan 0.000 0.444 217 I N -0.090 120.470 120.570 -0.016 0.000 2.233 217 I HA -0.114 4.056 4.170 0.001 0.000 0.243 217 I C 2.325 178.430 176.117 -0.019 0.000 1.093 217 I CA 1.191 62.479 61.300 -0.020 0.000 1.380 217 I CB -1.267 36.719 38.000 -0.023 0.000 1.067 217 I HN 0.333 nan 8.210 nan 0.000 0.413 218 R N 0.176 120.666 120.500 -0.017 0.000 2.285 218 R HA -0.143 4.197 4.340 0.001 0.000 0.213 218 R C 2.105 178.396 176.300 -0.015 0.000 1.068 218 R CA 0.576 56.666 56.100 -0.016 0.000 1.004 218 R CB -0.166 30.126 30.300 -0.014 0.000 0.873 218 R HN 0.161 nan 8.270 nan 0.000 0.467 219 R N 0.699 121.191 120.500 -0.013 0.000 2.189 219 R HA 0.159 4.499 4.340 0.001 0.000 0.203 219 R C 1.808 178.101 176.300 -0.011 0.000 1.012 219 R CA 1.088 57.181 56.100 -0.011 0.000 1.015 219 R CB -0.179 30.116 30.300 -0.008 0.000 0.938 219 R HN 0.127 nan 8.270 nan 0.000 0.472 220 A N 0.503 123.316 122.820 -0.012 0.000 1.873 220 A HA 0.073 4.393 4.320 0.001 0.000 0.215 220 A C 2.314 179.889 177.584 -0.015 0.000 1.186 220 A CA 1.504 53.533 52.037 -0.013 0.000 0.616 220 A CB -1.047 17.944 19.000 -0.016 0.000 0.823 220 A HN 0.400 nan 8.150 nan 0.000 0.442 221 A N -0.945 121.864 122.820 -0.019 0.000 1.902 221 A HA -0.103 4.218 4.320 0.001 0.000 0.217 221 A C 2.279 179.853 177.584 -0.016 0.000 1.181 221 A CA 2.330 54.355 52.037 -0.020 0.000 0.623 221 A CB -1.284 17.701 19.000 -0.024 0.000 0.818 221 A HN 0.423 nan 8.150 nan 0.000 0.443 222 T N 0.146 114.690 114.554 -0.016 0.000 2.867 222 T HA -0.037 4.314 4.350 0.001 0.000 0.268 222 T C 1.730 176.421 174.700 -0.015 0.000 1.057 222 T CA 1.378 63.469 62.100 -0.016 0.000 1.136 222 T CB -0.348 68.510 68.868 -0.016 0.000 0.874 222 T HN 0.442 nan 8.240 nan 0.000 0.466 223 I N 0.285 120.848 120.570 -0.012 0.000 2.353 223 I HA -0.085 4.086 4.170 0.001 0.000 0.248 223 I C 2.214 178.328 176.117 -0.005 0.000 1.119 223 I CA 0.604 61.898 61.300 -0.010 0.000 1.417 223 I CB -0.247 37.749 38.000 -0.006 0.000 1.078 223 I HN 0.175 nan 8.210 nan 0.000 0.421 224 L N 1.350 122.571 121.223 -0.003 0.000 1.961 224 L HA -0.141 4.200 4.340 0.001 0.000 0.210 224 L C 2.648 179.523 176.870 0.008 0.000 1.072 224 L CA 2.300 57.143 54.840 0.005 0.000 0.749 224 L CB -0.954 41.105 42.059 -0.000 0.000 0.889 224 L HN 0.190 nan 8.230 nan 0.000 0.432 225 A N -1.010 121.809 122.820 -0.001 0.000 1.948 225 A HA -0.263 4.058 4.320 0.001 0.000 0.220 225 A C 2.140 179.716 177.584 -0.014 0.000 1.177 225 A CA 2.065 54.099 52.037 -0.004 0.000 0.636 225 A CB -0.700 18.293 19.000 -0.012 0.000 0.815 225 A HN 0.666 nan 8.150 nan 0.000 0.449 226 E N -0.837 119.350 120.200 -0.021 0.000 2.285 226 E HA -0.121 4.230 4.350 0.001 0.000 0.194 226 E C 2.013 178.582 176.600 -0.050 0.000 0.997 226 E CA 0.548 56.926 56.400 -0.037 0.000 0.845 226 E CB -0.051 29.629 29.700 -0.033 0.000 0.782 226 E HN 0.583 nan 8.360 nan 0.000 0.491 227 Q N 0.121 119.907 119.800 -0.024 0.000 2.172 227 Q HA -0.041 4.300 4.340 0.001 0.000 0.200 227 Q C 2.001 177.977 176.000 -0.040 0.000 0.964 227 Q CA 0.788 56.583 55.803 -0.013 0.000 0.855 227 Q CB 0.147 28.905 28.738 0.035 0.000 0.918 227 Q HN 0.374 nan 8.270 nan 0.000 0.444 228 L N 0.460 121.679 121.223 -0.006 0.000 2.599 228 L HA 0.021 4.361 4.340 0.001 0.000 0.230 228 L C 1.707 178.467 176.870 -0.184 0.000 1.141 228 L CA 0.069 54.924 54.840 0.026 0.000 0.877 228 L CB -0.219 41.921 42.059 0.134 0.000 1.009 228 L HN 0.119 nan 8.230 nan 0.000 0.447 229 E N 1.385 121.455 120.200 -0.216 0.000 2.171 229 E HA -0.220 4.131 4.350 0.001 0.000 0.197 229 E C 2.121 178.546 176.600 -0.292 0.000 0.997 229 E CA 1.272 57.552 56.400 -0.200 0.000 0.810 229 E CB -0.030 29.585 29.700 -0.142 0.000 0.738 229 E HN 0.564 nan 8.360 nan 0.000 0.467 230 A N -0.041 122.428 122.820 -0.585 0.000 2.238 230 A HA -0.001 4.319 4.320 0.001 0.000 0.208 230 A C 0.871 178.160 177.584 -0.492 0.000 1.177 230 A CA 0.431 52.116 52.037 -0.585 0.000 0.804 230 A CB -0.092 18.500 19.000 -0.679 0.000 0.823 230 A HN 0.181 nan 8.150 nan 0.000 0.482 231 F N -1.945 118.006 119.950 0.002 0.000 2.798 231 F HA 0.195 4.721 4.527 -0.000 0.000 0.328 231 F C 1.382 177.186 175.800 0.006 0.000 1.098 231 F CA 0.000 58.003 58.000 0.004 0.000 1.172 231 F CB -0.027 38.975 39.000 0.004 0.000 1.072 231 F HN 0.065 nan 8.300 nan 0.000 0.555 232 V N -4.669 115.292 119.914 0.077 0.000 3.635 232 V HA 0.434 4.555 4.120 0.001 0.000 0.266 232 V C 0.544 176.655 176.094 0.029 0.000 1.316 232 V CA 0.717 63.052 62.300 0.058 0.000 1.060 232 V CB 0.696 32.539 31.823 0.034 0.000 0.820 232 V HN 0.066 nan 8.190 nan 0.000 0.447 233 D N -1.008 119.394 120.400 0.003 0.000 2.295 233 D HA 0.221 4.862 4.640 0.001 0.000 0.088 233 D C 0.004 176.297 176.300 -0.013 0.000 1.406 233 D CA 0.293 54.293 54.000 -0.001 0.000 1.347 233 D CB 0.331 41.125 40.800 -0.011 0.000 2.470 233 D HN 0.027 nan 8.370 nan 0.000 0.195 234 L N 2.328 123.531 121.223 -0.033 0.000 3.709 234 L HA -0.245 4.096 4.340 0.001 0.000 0.626 234 L C -0.374 176.487 176.870 -0.016 0.000 1.119 234 L CA 1.450 56.267 54.840 -0.038 0.000 0.996 234 L CB -1.390 40.630 42.059 -0.064 0.000 1.327 234 L HN 0.655 nan 8.230 nan 0.000 0.808 235 R N 0.000 120.493 120.500 -0.011 0.000 2.786 235 R HA 0.000 4.340 4.340 0.001 0.000 0.208 235 R CA 0.000 56.098 56.100 -0.004 0.000 0.921 235 R CB 0.000 30.302 30.300 0.004 0.000 0.687 235 R HN 0.000 nan 8.270 nan 0.000 0.535