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 2hik_1_Z DATA FIRST_RESID 2 DATA SEQUENCE KVVYDDVRVL KDIIQALARL VDEAVLKFKQ DSVELVALDR AHISLISVNL DATA SEQUENCE PREXFKEYDV NDEFKFGFNT QYLXKILKVA KRKEAIEIAS ESPDSVIINI DATA SEQUENCE IGSTNREFNV RNLEVSEQEI PEINLQFDIS ATISSDGFKS AISEVSTVTD DATA SEQUENCE NVVVEGHEDR ILIKAEGESE VEVEFSKDTG GLQDLEFSKE SKNSYSAEYL DATA SEQUENCE DDVLSLTKLS DYVKISFGNQ KPLQLFFNXE GGGKVTYLLA PK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.352 176.600 -0.414 0.000 0.988 2 K CA 0.000 56.041 56.287 -0.410 0.000 0.838 2 K CB 0.000 32.348 32.500 -0.253 0.000 1.064 3 V N 0.407 120.055 119.914 -0.442 0.000 2.715 3 V HA 0.824 4.943 4.120 -0.000 0.000 0.310 3 V C -0.937 175.181 176.094 0.041 0.000 1.054 3 V CA -0.653 61.472 62.300 -0.292 0.000 0.928 3 V CB 1.906 33.378 31.823 -0.585 0.000 1.007 3 V HN 0.347 nan 8.190 nan 0.000 0.437 4 V N 4.899 124.972 119.914 0.266 0.000 2.443 4 V HA 0.409 4.529 4.120 -0.000 0.000 0.293 4 V C -1.135 175.270 176.094 0.518 0.000 1.021 4 V CA -0.449 62.037 62.300 0.309 0.000 0.848 4 V CB 1.362 33.283 31.823 0.162 0.000 0.998 4 V HN 0.912 nan 8.190 nan 0.000 0.424 5 Y N 4.370 124.816 120.300 0.242 0.000 2.331 5 Y HA 0.465 5.015 4.550 -0.000 0.000 0.338 5 Y C 0.817 176.688 175.900 -0.048 0.000 0.992 5 Y CA -1.816 56.238 58.100 -0.077 0.000 1.121 5 Y CB 1.750 40.024 38.460 -0.310 0.000 1.184 5 Y HN 0.882 nan 8.280 nan 0.000 0.469 6 D N 0.724 121.027 120.400 -0.161 0.000 2.349 6 D HA 0.026 4.666 4.640 -0.000 0.000 0.214 6 D C -0.624 175.447 176.300 -0.382 0.000 1.063 6 D CA 0.270 54.146 54.000 -0.205 0.000 0.847 6 D CB 0.123 40.878 40.800 -0.075 0.000 0.933 6 D HN 0.279 nan 8.370 nan 0.000 0.513 7 D N 0.123 120.025 120.400 -0.831 0.000 2.432 7 D HA 0.048 4.688 4.640 -0.000 0.000 0.265 7 D C 0.847 176.710 176.300 -0.730 0.000 1.160 7 D CA -0.622 52.959 54.000 -0.699 0.000 0.911 7 D CB 1.365 41.804 40.800 -0.602 0.000 1.052 7 D HN -0.108 nan 8.370 nan 0.000 0.508 8 V N 4.454 124.146 119.914 -0.370 0.000 2.594 8 V HA -0.183 3.936 4.120 -0.000 0.000 0.253 8 V C 2.071 178.085 176.094 -0.132 0.000 1.069 8 V CA 1.787 63.971 62.300 -0.192 0.000 1.082 8 V CB -0.176 31.586 31.823 -0.101 0.000 0.680 8 V HN 0.437 nan 8.190 nan 0.000 0.469 9 R N -0.873 119.537 120.500 -0.150 0.000 2.081 9 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 9 R C 2.179 178.437 176.300 -0.071 0.000 1.131 9 R CA 1.614 57.655 56.100 -0.099 0.000 0.960 9 R CB -0.579 29.663 30.300 -0.097 0.000 0.856 9 R HN 0.462 nan 8.270 nan 0.000 0.436 10 V N 1.406 121.283 119.914 -0.062 0.000 2.287 10 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 10 V C 2.252 178.375 176.094 0.049 0.000 1.053 10 V CA 1.796 64.108 62.300 0.019 0.000 1.027 10 V CB -0.416 31.488 31.823 0.136 0.000 0.646 10 V HN 0.319 nan 8.190 nan 0.000 0.447 11 L N -0.348 120.943 121.223 0.113 0.000 2.083 11 L HA -0.235 4.105 4.340 -0.000 0.000 0.209 11 L C 2.603 179.478 176.870 0.009 0.000 1.083 11 L CA 2.038 56.936 54.840 0.096 0.000 0.752 11 L CB -0.308 41.850 42.059 0.164 0.000 0.899 11 L HN 0.312 nan 8.230 nan 0.000 0.433 12 K N -0.372 120.014 120.400 -0.022 0.000 2.025 12 K HA -0.208 4.112 4.320 -0.000 0.000 0.207 12 K C 1.704 178.268 176.600 -0.060 0.000 1.049 12 K CA 1.862 58.118 56.287 -0.052 0.000 0.933 12 K CB -0.052 32.410 32.500 -0.062 0.000 0.714 12 K HN 0.291 nan 8.250 nan 0.000 0.438 13 D N 0.770 121.130 120.400 -0.067 0.000 2.149 13 D HA -0.173 4.467 4.640 -0.000 0.000 0.198 13 D C 1.927 178.163 176.300 -0.106 0.000 0.990 13 D CA 1.126 55.070 54.000 -0.093 0.000 0.839 13 D CB -0.115 40.618 40.800 -0.110 0.000 0.948 13 D HN 0.304 nan 8.370 nan 0.000 0.460 14 I N 0.766 121.287 120.570 -0.081 0.000 2.113 14 I HA -0.238 3.932 4.170 -0.000 0.000 0.238 14 I C 2.215 178.308 176.117 -0.040 0.000 1.070 14 I CA 0.652 61.911 61.300 -0.070 0.000 1.332 14 I CB -0.064 37.918 38.000 -0.030 0.000 1.044 14 I HN -0.035 nan 8.210 nan 0.000 0.402 15 I N 0.382 120.939 120.570 -0.022 0.000 2.361 15 I HA -0.287 3.883 4.170 -0.000 0.000 0.251 15 I C 2.507 178.620 176.117 -0.008 0.000 1.133 15 I CA 1.430 62.733 61.300 0.006 0.000 1.413 15 I CB -1.410 36.569 38.000 -0.034 0.000 1.073 15 I HN 0.453 nan 8.210 nan 0.000 0.424 16 Q N 0.748 120.523 119.800 -0.042 0.000 2.112 16 Q HA -0.226 4.114 4.340 -0.000 0.000 0.206 16 Q C 2.279 178.246 176.000 -0.055 0.000 0.987 16 Q CA 2.336 58.109 55.803 -0.050 0.000 0.858 16 Q CB 0.135 28.834 28.738 -0.065 0.000 0.905 16 Q HN 0.529 nan 8.270 nan 0.000 0.420 17 A N 0.931 123.705 122.820 -0.076 0.000 1.840 17 A HA -0.141 4.179 4.320 -0.000 0.000 0.214 17 A C 2.051 179.598 177.584 -0.062 0.000 1.198 17 A CA 0.875 52.853 52.037 -0.100 0.000 0.608 17 A CB -0.982 17.923 19.000 -0.157 0.000 0.839 17 A HN 0.500 nan 8.150 nan 0.000 0.443 18 L N -0.388 120.819 121.223 -0.026 0.000 2.064 18 L HA -0.314 4.026 4.340 -0.000 0.000 0.216 18 L C 2.801 179.687 176.870 0.027 0.000 1.077 18 L CA 2.059 56.912 54.840 0.022 0.000 0.766 18 L CB -0.540 41.564 42.059 0.075 0.000 0.890 18 L HN 0.461 nan 8.230 nan 0.000 0.435 19 A N -0.374 122.465 122.820 0.031 0.000 1.972 19 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 19 A C 2.173 179.757 177.584 0.001 0.000 1.169 19 A CA 1.462 53.517 52.037 0.031 0.000 0.635 19 A CB -0.438 18.581 19.000 0.032 0.000 0.810 19 A HN 0.501 nan 8.150 nan 0.000 0.446 20 R N -1.027 119.461 120.500 -0.019 0.000 2.275 20 R HA 0.125 4.465 4.340 -0.000 0.000 0.199 20 R C 1.244 177.525 176.300 -0.031 0.000 0.989 20 R CA 0.205 56.282 56.100 -0.039 0.000 1.016 20 R CB -0.051 30.214 30.300 -0.059 0.000 0.918 20 R HN 0.329 nan 8.270 nan 0.000 0.473 21 L N -0.490 120.736 121.223 0.005 0.000 2.145 21 L HA 0.178 4.518 4.340 -0.000 0.000 0.201 21 L C 0.829 177.727 176.870 0.047 0.000 1.075 21 L CA 0.977 55.858 54.840 0.068 0.000 0.773 21 L CB -0.238 41.892 42.059 0.118 0.000 0.936 21 L HN -0.108 nan 8.230 nan 0.000 0.451 22 V N -1.384 118.537 119.914 0.012 0.000 3.078 22 V HA 0.296 4.416 4.120 -0.000 0.000 0.311 22 V C 0.268 176.343 176.094 -0.031 0.000 1.138 22 V CA -0.532 61.756 62.300 -0.020 0.000 1.007 22 V CB 2.283 34.082 31.823 -0.041 0.000 1.045 22 V HN 0.087 nan 8.190 nan 0.000 0.432 23 D N 1.534 121.908 120.400 -0.043 0.000 2.103 23 D HA 0.075 4.715 4.640 -0.000 0.000 0.199 23 D C 0.290 176.545 176.300 -0.074 0.000 0.978 23 D CA 1.390 55.368 54.000 -0.037 0.000 0.829 23 D CB 0.326 41.108 40.800 -0.031 0.000 0.981 23 D HN 0.691 nan 8.370 nan 0.000 0.464 24 E N -0.624 119.497 120.200 -0.132 0.000 2.238 24 E HA 0.713 5.063 4.350 -0.000 0.000 0.267 24 E C -1.060 175.330 176.600 -0.350 0.000 0.887 24 E CA -0.780 55.471 56.400 -0.248 0.000 0.769 24 E CB 2.664 32.252 29.700 -0.186 0.000 1.187 24 E HN 0.061 nan 8.360 nan 0.000 0.416 25 A N 1.612 124.023 122.820 -0.682 0.000 2.594 25 A HA 0.662 4.981 4.320 -0.000 0.000 0.291 25 A C -1.612 175.469 177.584 -0.838 0.000 1.105 25 A CA -0.640 51.015 52.037 -0.638 0.000 0.694 25 A CB 1.989 20.693 19.000 -0.492 0.000 1.291 25 A HN 0.365 nan 8.150 nan 0.000 0.410 26 V N 1.494 121.167 119.914 -0.402 0.000 2.448 26 V HA 0.580 4.700 4.120 -0.000 0.000 0.295 26 V C -1.068 175.008 176.094 -0.031 0.000 1.025 26 V CA -0.607 61.562 62.300 -0.218 0.000 0.859 26 V CB 1.162 32.919 31.823 -0.112 0.000 0.988 26 V HN 0.731 nan 8.190 nan 0.000 0.431 27 L N 7.682 128.977 121.223 0.120 0.000 2.270 27 L HA 0.451 4.791 4.340 -0.000 0.000 0.286 27 L C 0.425 177.310 176.870 0.025 0.000 1.059 27 L CA -0.259 54.635 54.840 0.090 0.000 0.839 27 L CB 0.716 42.873 42.059 0.164 0.000 1.221 27 L HN 0.561 nan 8.230 nan 0.000 0.431 28 K N 4.424 124.810 120.400 -0.024 0.000 2.336 28 K HA 0.157 4.477 4.320 -0.000 0.000 0.290 28 K C -0.688 175.891 176.600 -0.035 0.000 1.067 28 K CA 0.062 56.372 56.287 0.038 0.000 0.962 28 K CB 0.296 32.818 32.500 0.037 0.000 1.008 28 K HN 0.290 nan 8.250 nan 0.000 0.467 29 F N 4.116 124.204 119.950 0.231 0.000 2.462 29 F HA 0.136 4.663 4.527 -0.000 0.000 0.354 29 F C 0.813 176.704 175.800 0.152 0.000 1.192 29 F CA -0.260 57.842 58.000 0.169 0.000 1.173 29 F CB 0.355 39.418 39.000 0.104 0.000 1.402 29 F HN 0.189 nan 8.300 nan 0.000 0.595 30 K N 1.942 122.505 120.400 0.271 0.000 2.177 30 K HA 0.234 4.554 4.320 -0.000 0.000 0.238 30 K C 1.045 177.802 176.600 0.261 0.000 1.015 30 K CA -0.817 55.597 56.287 0.211 0.000 0.922 30 K CB 1.008 33.588 32.500 0.132 0.000 1.127 30 K HN 0.540 nan 8.250 nan 0.000 0.469 31 Q N 0.892 120.804 119.800 0.187 0.000 2.133 31 Q HA -0.231 4.109 4.340 -0.000 0.000 0.208 31 Q C 0.313 176.438 176.000 0.208 0.000 0.991 31 Q CA 2.240 58.157 55.803 0.189 0.000 0.867 31 Q CB -0.092 28.711 28.738 0.109 0.000 0.911 31 Q HN 0.622 nan 8.270 nan 0.000 0.417 32 D N -1.992 118.462 120.400 0.091 0.000 2.540 32 D HA 0.177 4.817 4.640 -0.000 0.000 0.229 32 D C -0.464 175.760 176.300 -0.127 0.000 1.250 32 D CA -0.203 53.763 54.000 -0.057 0.000 0.817 32 D CB 0.784 41.569 40.800 -0.025 0.000 1.060 32 D HN -0.007 nan 8.370 nan 0.000 0.508 33 S N -0.157 115.520 115.700 -0.040 0.000 2.560 33 S HA 0.413 4.882 4.470 -0.000 0.000 0.283 33 S C -1.575 173.072 174.600 0.079 0.000 1.141 33 S CA -0.780 57.408 58.200 -0.019 0.000 0.902 33 S CB 1.171 64.373 63.200 0.004 0.000 1.104 33 S HN -0.021 nan 8.310 nan 0.000 0.454 34 V N 4.312 124.269 119.914 0.071 0.000 2.406 34 V HA 0.492 4.612 4.120 -0.000 0.000 0.272 34 V C 0.208 176.278 176.094 -0.040 0.000 1.043 34 V CA -0.275 62.013 62.300 -0.020 0.000 0.915 34 V CB 0.870 32.651 31.823 -0.069 0.000 0.988 34 V HN 0.871 nan 8.190 nan 0.000 0.466 35 E N 3.923 124.087 120.200 -0.059 0.000 2.207 35 E HA 0.726 5.076 4.350 -0.000 0.000 0.270 35 E C -0.971 175.613 176.600 -0.027 0.000 0.927 35 E CA -0.815 55.573 56.400 -0.020 0.000 0.799 35 E CB 2.820 32.526 29.700 0.009 0.000 1.172 35 E HN 0.571 nan 8.360 nan 0.000 0.404 36 L N 2.617 123.843 121.223 0.004 0.000 2.518 36 L HA 0.353 4.693 4.340 -0.000 0.000 0.262 36 L C -1.848 175.038 176.870 0.027 0.000 0.982 36 L CA -0.633 54.218 54.840 0.018 0.000 0.873 36 L CB 1.242 43.331 42.059 0.050 0.000 1.198 36 L HN 0.308 nan 8.230 nan 0.000 0.427 37 V N 3.816 123.742 119.914 0.019 0.000 2.398 37 V HA 0.921 5.041 4.120 -0.000 0.000 0.286 37 V C 0.151 176.255 176.094 0.016 0.000 1.026 37 V CA -0.152 62.165 62.300 0.029 0.000 0.868 37 V CB 1.260 33.101 31.823 0.031 0.000 0.982 37 V HN 0.814 nan 8.190 nan 0.000 0.443 38 A N 5.291 128.130 122.820 0.031 0.000 2.459 38 A HA 0.811 5.131 4.320 -0.000 0.000 0.296 38 A C -1.142 176.469 177.584 0.045 0.000 1.039 38 A CA -0.516 51.531 52.037 0.016 0.000 0.698 38 A CB 1.186 20.178 19.000 -0.013 0.000 1.261 38 A HN 0.732 nan 8.150 nan 0.000 0.405 39 L N 2.744 123.988 121.223 0.036 0.000 2.399 39 L HA 0.320 4.660 4.340 -0.000 0.000 0.266 39 L C 0.833 177.690 176.870 -0.022 0.000 1.114 39 L CA -0.616 54.246 54.840 0.036 0.000 0.804 39 L CB 0.927 43.046 42.059 0.100 0.000 1.146 39 L HN 0.925 nan 8.230 nan 0.000 0.451 40 D N 1.655 122.051 120.400 -0.008 0.000 2.414 40 D HA 0.058 4.698 4.640 -0.000 0.000 0.251 40 D C 0.725 176.929 176.300 -0.160 0.000 1.252 40 D CA -0.510 53.498 54.000 0.013 0.000 0.999 40 D CB 0.746 41.677 40.800 0.218 0.000 1.093 40 D HN 0.469 nan 8.370 nan 0.000 0.515 41 R N 0.198 120.656 120.500 -0.070 0.000 2.083 41 R HA -0.101 4.239 4.340 -0.000 0.000 0.237 41 R C 1.926 178.123 176.300 -0.172 0.000 1.137 41 R CA 1.733 57.763 56.100 -0.118 0.000 0.951 41 R CB -0.581 29.708 30.300 -0.019 0.000 0.851 41 R HN 0.502 nan 8.270 nan 0.000 0.434 42 A N 0.467 123.271 122.820 -0.027 0.000 2.275 42 A HA 0.080 4.400 4.320 -0.000 0.000 0.212 42 A C -0.454 177.183 177.584 0.088 0.000 1.201 42 A CA -0.047 52.028 52.037 0.062 0.000 0.843 42 A CB -0.441 18.656 19.000 0.162 0.000 0.873 42 A HN 0.563 nan 8.150 nan 0.000 0.492 43 H N -1.575 117.524 119.070 0.048 0.000 2.770 43 H HA -0.158 4.398 4.556 -0.000 0.000 0.309 43 H C 0.641 175.947 175.328 -0.037 0.000 1.206 43 H CA 1.006 57.059 56.048 0.009 0.000 1.147 43 H CB -1.995 27.771 29.762 0.007 0.000 1.422 43 H HN 0.589 nan 8.280 nan 0.000 0.420 44 I N -1.122 119.421 120.570 -0.046 0.000 3.941 44 I HA 0.081 4.251 4.170 -0.000 0.000 0.321 44 I C 0.822 176.779 176.117 -0.266 0.000 1.284 44 I CA 0.676 61.866 61.300 -0.183 0.000 1.226 44 I CB 0.406 38.197 38.000 -0.347 0.000 1.045 44 I HN 0.369 nan 8.210 nan 0.000 0.420 45 S N 0.801 116.386 115.700 -0.192 0.000 2.638 45 S HA 0.737 5.206 4.470 -0.000 0.000 0.274 45 S C -1.186 173.388 174.600 -0.044 0.000 1.157 45 S CA -0.757 57.327 58.200 -0.193 0.000 0.826 45 S CB 2.792 65.891 63.200 -0.167 0.000 1.139 45 S HN 0.052 nan 8.310 nan 0.000 0.474 46 L N 1.409 122.591 121.223 -0.069 0.000 2.482 46 L HA 0.666 5.006 4.340 -0.000 0.000 0.269 46 L C -1.451 175.508 176.870 0.148 0.000 0.967 46 L CA -0.573 54.295 54.840 0.046 0.000 0.851 46 L CB 1.412 43.484 42.059 0.021 0.000 1.242 46 L HN 0.926 nan 8.230 nan 0.000 0.404 47 I N 3.574 124.280 120.570 0.227 0.000 2.353 47 I HA 0.527 4.697 4.170 -0.000 0.000 0.293 47 I C -0.634 175.569 176.117 0.143 0.000 0.992 47 I CA 0.130 61.584 61.300 0.256 0.000 1.268 47 I CB 1.222 39.356 38.000 0.223 0.000 1.387 47 I HN 0.686 nan 8.210 nan 0.000 0.478 48 S N 6.275 122.055 115.700 0.134 0.000 2.659 48 S HA 0.493 4.963 4.470 -0.000 0.000 0.312 48 S C -0.676 173.962 174.600 0.063 0.000 1.114 48 S CA -0.558 57.697 58.200 0.090 0.000 1.063 48 S CB 1.613 64.872 63.200 0.099 0.000 0.996 48 S HN 0.374 nan 8.310 nan 0.000 0.478 49 V N 3.589 123.529 119.914 0.043 0.000 2.547 49 V HA 0.578 4.698 4.120 -0.000 0.000 0.299 49 V C -0.274 175.828 176.094 0.013 0.000 1.040 49 V CA -0.796 61.515 62.300 0.019 0.000 0.913 49 V CB 1.820 33.656 31.823 0.021 0.000 0.992 49 V HN 0.852 nan 8.190 nan 0.000 0.449 50 N N 3.366 122.066 118.700 -0.000 0.000 2.500 50 N HA 0.546 5.286 4.740 -0.000 0.000 0.291 50 N C -1.516 173.996 175.510 0.003 0.000 1.092 50 N CA -0.412 52.643 53.050 0.008 0.000 0.890 50 N CB 1.220 39.719 38.487 0.021 0.000 1.466 50 N HN 0.618 nan 8.380 nan 0.000 0.507 51 L N 4.248 125.485 121.223 0.024 0.000 2.366 51 L HA 0.564 4.904 4.340 -0.000 0.000 0.266 51 L C -2.261 174.666 176.870 0.094 0.000 1.010 51 L CA -1.859 53.008 54.840 0.046 0.000 0.879 51 L CB 1.438 43.544 42.059 0.078 0.000 1.228 51 L HN 0.339 nan 8.230 nan 0.000 0.439 52 P HA 0.051 nan 4.420 nan 0.000 0.270 52 P C 0.518 177.784 177.300 -0.056 0.000 1.223 52 P CA -0.426 62.651 63.100 -0.038 0.000 0.785 52 P CB 0.545 32.229 31.700 -0.026 0.000 0.923 53 R N 0.411 120.717 120.500 -0.323 0.000 2.193 53 R HA -0.083 4.257 4.340 -0.000 0.000 0.229 53 R C 0.186 176.450 176.300 -0.060 0.000 1.110 53 R CA 0.955 56.722 56.100 -0.554 0.000 0.988 53 R CB -0.512 29.261 30.300 -0.879 0.000 0.871 53 R HN 0.359 nan 8.270 nan 0.000 0.458 57 K N 0.612 121.206 120.400 0.322 0.000 2.009 57 K HA -0.071 4.249 4.320 -0.000 0.000 0.210 57 K C -0.173 176.549 176.600 0.203 0.000 1.049 57 K CA 1.472 57.881 56.287 0.203 0.000 0.929 57 K CB 0.123 32.710 32.500 0.146 0.000 0.714 57 K HN 0.602 nan 8.250 nan 0.000 0.440 58 E N -0.861 119.482 120.200 0.239 0.000 2.238 58 E HA 0.226 4.575 4.350 -0.000 0.000 0.267 58 E C -1.577 175.154 176.600 0.220 0.000 0.887 58 E CA -0.528 55.976 56.400 0.174 0.000 0.769 58 E CB 1.751 31.500 29.700 0.083 0.000 1.187 58 E HN 0.043 nan 8.360 nan 0.000 0.416 59 Y N 1.976 122.274 120.300 -0.003 0.000 2.544 59 Y HA 0.130 4.680 4.550 -0.000 0.000 0.347 59 Y C -1.135 174.710 175.900 -0.092 0.000 1.089 59 Y CA -0.707 57.334 58.100 -0.099 0.000 1.230 59 Y CB 0.708 39.108 38.460 -0.101 0.000 1.101 59 Y HN 0.435 nan 8.280 nan 0.000 0.641 60 D N 2.931 123.199 120.400 -0.220 0.000 2.494 60 D HA 0.378 5.018 4.640 -0.000 0.000 0.217 60 D C -1.287 174.833 176.300 -0.299 0.000 1.153 60 D CA 0.302 54.195 54.000 -0.179 0.000 0.954 60 D CB 0.402 41.114 40.800 -0.147 0.000 1.034 60 D HN 0.135 nan 8.370 nan 0.000 0.518 61 V N 5.086 124.862 119.914 -0.229 0.000 2.447 61 V HA 0.269 4.388 4.120 -0.000 0.000 0.292 61 V C 0.379 176.465 176.094 -0.013 0.000 1.021 61 V CA -0.793 61.394 62.300 -0.188 0.000 0.850 61 V CB 1.623 33.281 31.823 -0.275 0.000 1.005 61 V HN 0.371 nan 8.190 nan 0.000 0.426 62 N N 2.296 120.993 118.700 -0.006 0.000 2.413 62 N HA 0.105 4.845 4.740 -0.000 0.000 0.193 62 N C 0.270 175.812 175.510 0.055 0.000 1.043 62 N CA 0.444 53.511 53.050 0.028 0.000 0.910 62 N CB 0.211 38.706 38.487 0.013 0.000 1.111 62 N HN 0.727 nan 8.380 nan 0.000 0.452 63 D N 0.394 120.832 120.400 0.063 0.000 2.277 63 D HA 0.105 4.745 4.640 -0.000 0.000 0.250 63 D C -0.574 175.802 176.300 0.127 0.000 1.032 63 D CA -0.476 53.573 54.000 0.083 0.000 0.947 63 D CB 1.543 42.387 40.800 0.074 0.000 1.159 63 D HN 0.001 nan 8.370 nan 0.000 0.460 64 E N 1.689 121.964 120.200 0.125 0.000 2.465 64 E HA 0.013 4.363 4.350 -0.000 0.000 0.260 64 E C -1.269 175.460 176.600 0.215 0.000 0.980 64 E CA 0.154 56.651 56.400 0.162 0.000 0.927 64 E CB 0.354 30.119 29.700 0.107 0.000 0.934 64 E HN 0.295 nan 8.360 nan 0.000 0.459 65 F N 4.148 124.189 119.950 0.151 0.000 2.467 65 F HA 0.327 4.854 4.527 -0.000 0.000 0.336 65 F C -0.444 175.516 175.800 0.267 0.000 1.123 65 F CA -0.856 57.251 58.000 0.179 0.000 0.964 65 F CB 1.152 40.236 39.000 0.141 0.000 1.136 65 F HN 0.279 nan 8.300 nan 0.000 0.447 66 K N 7.885 128.170 120.400 -0.193 0.000 2.231 66 K HA 0.129 4.449 4.320 -0.000 0.000 0.255 66 K C -0.766 175.910 176.600 0.126 0.000 1.108 66 K CA -0.299 55.989 56.287 0.002 0.000 0.997 66 K CB 0.486 32.939 32.500 -0.079 0.000 1.549 66 K HN 0.635 nan 8.250 nan 0.000 0.419 67 F N 2.592 122.762 119.950 0.366 0.000 2.509 67 F HA 0.189 4.716 4.527 -0.000 0.000 0.350 67 F C 0.675 176.706 175.800 0.386 0.000 1.220 67 F CA -0.795 57.513 58.000 0.513 0.000 1.151 67 F CB 0.279 39.750 39.000 0.785 0.000 1.379 67 F HN 0.425 nan 8.300 nan 0.000 0.610 68 G N 5.494 114.380 108.800 0.144 0.000 2.444 68 G HA2 0.428 4.388 3.960 -0.000 0.000 0.268 68 G HA3 0.428 4.388 3.960 -0.000 0.000 0.268 68 G C -1.475 173.335 174.900 -0.151 0.000 1.203 68 G CA -0.401 44.618 45.100 -0.134 0.000 0.835 68 G HN 0.756 nan 8.290 nan 0.000 0.543 69 F N -0.580 119.179 119.950 -0.317 0.000 2.693 69 F HA 0.505 5.032 4.527 -0.000 0.000 0.309 69 F C -0.914 174.821 175.800 -0.109 0.000 1.129 69 F CA -1.868 55.991 58.000 -0.235 0.000 0.948 69 F CB 1.321 40.042 39.000 -0.466 0.000 1.315 69 F HN 0.430 nan 8.300 nan 0.000 0.447 70 N N 1.156 119.962 118.700 0.178 0.000 2.452 70 N HA 0.164 4.904 4.740 -0.000 0.000 0.266 70 N C 1.081 176.802 175.510 0.352 0.000 1.175 70 N CA 0.629 53.764 53.050 0.143 0.000 0.945 70 N CB 1.401 39.967 38.487 0.131 0.000 1.063 70 N HN 0.868 nan 8.380 nan 0.000 0.472 71 T N 1.064 115.749 114.554 0.218 0.000 2.803 71 T HA -0.229 4.121 4.350 -0.000 0.000 0.269 71 T C 1.451 176.277 174.700 0.210 0.000 1.052 71 T CA 1.246 63.544 62.100 0.330 0.000 1.136 71 T CB -0.217 68.737 68.868 0.143 0.000 0.864 71 T HN 0.512 nan 8.240 nan 0.000 0.467 72 Q N -0.268 119.621 119.800 0.148 0.000 2.123 72 Q HA 0.046 4.386 4.340 -0.000 0.000 0.199 72 Q C 1.905 177.968 176.000 0.106 0.000 0.966 72 Q CA 1.297 57.159 55.803 0.098 0.000 0.845 72 Q CB -0.528 28.259 28.738 0.082 0.000 0.907 72 Q HN 0.792 nan 8.270 nan 0.000 0.439 73 Y N -0.248 120.080 120.300 0.046 0.000 2.184 73 Y HA -0.050 4.500 4.550 -0.000 0.000 0.290 73 Y C 0.763 176.639 175.900 -0.040 0.000 1.129 73 Y CA 0.321 58.431 58.100 0.017 0.000 1.144 73 Y CB -0.116 38.373 38.460 0.049 0.000 0.995 73 Y HN 0.209 nan 8.280 nan 0.000 0.513 77 I N -0.092 120.122 120.570 -0.592 0.000 3.059 77 I HA 0.034 4.204 4.170 -0.000 0.000 0.270 77 I C 1.403 177.236 176.117 -0.474 0.000 1.238 77 I CA 0.799 61.604 61.300 -0.824 0.000 1.478 77 I CB 0.044 37.078 38.000 -1.610 0.000 1.097 77 I HN 0.001 nan 8.210 nan 0.000 0.455 78 L N 0.749 121.789 121.223 -0.305 0.000 2.270 78 L HA 0.085 4.425 4.340 -0.000 0.000 0.210 78 L C 2.318 179.122 176.870 -0.110 0.000 1.104 78 L CA 0.726 55.466 54.840 -0.168 0.000 0.804 78 L CB -0.418 41.559 42.059 -0.136 0.000 0.937 78 L HN 0.119 nan 8.230 nan 0.000 0.450 79 K N 0.191 120.522 120.400 -0.116 0.000 2.555 79 K HA -0.073 4.246 4.320 -0.000 0.000 0.193 79 K C 1.932 178.507 176.600 -0.042 0.000 1.032 79 K CA 0.969 57.212 56.287 -0.074 0.000 1.004 79 K CB 0.047 32.503 32.500 -0.073 0.000 0.804 79 K HN 0.329 nan 8.250 nan 0.000 0.496 80 V N -1.607 118.292 119.914 -0.026 0.000 2.626 80 V HA 0.010 4.129 4.120 -0.000 0.000 0.252 80 V C 0.918 177.025 176.094 0.021 0.000 1.067 80 V CA 0.944 63.264 62.300 0.033 0.000 1.081 80 V CB -0.548 31.360 31.823 0.142 0.000 0.686 80 V HN 0.096 nan 8.190 nan 0.000 0.468 81 A N 1.778 124.599 122.820 0.002 0.000 2.253 81 A HA 0.598 4.918 4.320 -0.000 0.000 0.316 81 A C 1.181 178.747 177.584 -0.028 0.000 1.327 81 A CA -0.473 51.557 52.037 -0.012 0.000 0.917 81 A CB 0.685 19.675 19.000 -0.016 0.000 1.162 81 A HN 0.491 nan 8.150 nan 0.000 0.535 82 K N 2.265 122.649 120.400 -0.026 0.000 2.242 82 K HA 0.096 4.416 4.320 -0.000 0.000 0.200 82 K C 0.425 177.004 176.600 -0.036 0.000 1.050 82 K CA 0.315 56.584 56.287 -0.031 0.000 0.981 82 K CB 0.076 32.561 32.500 -0.025 0.000 0.795 82 K HN 0.542 nan 8.250 nan 0.000 0.477 83 R N 1.627 122.107 120.500 -0.033 0.000 2.584 83 R HA 0.181 4.521 4.340 -0.000 0.000 0.253 83 R C 0.160 176.431 176.300 -0.050 0.000 1.251 83 R CA -0.319 55.759 56.100 -0.037 0.000 1.129 83 R CB 0.222 30.504 30.300 -0.030 0.000 1.239 83 R HN -0.024 nan 8.270 nan 0.000 0.595 84 K N 1.459 121.827 120.400 -0.053 0.000 2.142 84 K HA 0.054 4.374 4.320 -0.000 0.000 0.250 84 K C -0.751 175.808 176.600 -0.068 0.000 1.148 84 K CA 0.259 56.503 56.287 -0.072 0.000 1.040 84 K CB -0.056 32.401 32.500 -0.072 0.000 1.569 84 K HN 0.363 nan 8.250 nan 0.000 0.361 85 E N 0.600 120.759 120.200 -0.068 0.000 2.254 85 E HA 0.481 4.831 4.350 -0.000 0.000 0.258 85 E C -0.967 175.586 176.600 -0.078 0.000 1.033 85 E CA -0.967 55.399 56.400 -0.056 0.000 0.893 85 E CB 1.601 31.281 29.700 -0.033 0.000 1.204 85 E HN 0.521 nan 8.360 nan 0.000 0.425 86 A N 1.539 124.326 122.820 -0.055 0.000 2.305 86 A HA 0.487 4.807 4.320 -0.000 0.000 0.322 86 A C -0.673 176.905 177.584 -0.011 0.000 1.187 86 A CA -0.512 51.491 52.037 -0.056 0.000 0.825 86 A CB 0.423 19.406 19.000 -0.029 0.000 1.164 86 A HN 0.623 nan 8.150 nan 0.000 0.498 87 I N 1.179 121.753 120.570 0.008 0.000 2.428 87 I HA 0.443 4.613 4.170 -0.000 0.000 0.296 87 I C -0.063 176.122 176.117 0.114 0.000 0.985 87 I CA -0.305 61.036 61.300 0.069 0.000 1.260 87 I CB 1.068 39.123 38.000 0.092 0.000 1.389 87 I HN 0.801 nan 8.210 nan 0.000 0.484 88 E N 8.227 128.476 120.200 0.082 0.000 2.220 88 E HA 0.407 4.756 4.350 -0.000 0.000 0.256 88 E C -1.633 174.961 176.600 -0.010 0.000 0.881 88 E CA -0.634 55.796 56.400 0.051 0.000 0.766 88 E CB 1.293 31.002 29.700 0.016 0.000 1.187 88 E HN 0.605 nan 8.360 nan 0.000 0.419 89 I N 4.021 124.555 120.570 -0.060 0.000 2.359 89 I HA 0.505 4.675 4.170 -0.000 0.000 0.284 89 I C -0.205 175.650 176.117 -0.438 0.000 1.018 89 I CA -0.425 60.739 61.300 -0.227 0.000 1.173 89 I CB 1.501 39.398 38.000 -0.171 0.000 1.326 89 I HN 0.510 nan 8.210 nan 0.000 0.462 90 A N 4.438 127.014 122.820 -0.406 0.000 2.380 90 A HA 0.907 5.227 4.320 -0.000 0.000 0.315 90 A C -0.622 176.663 177.584 -0.498 0.000 1.101 90 A CA -0.585 51.190 52.037 -0.437 0.000 0.771 90 A CB 2.050 20.888 19.000 -0.271 0.000 1.287 90 A HN 0.510 nan 8.150 nan 0.000 0.436 91 S N -0.227 115.148 115.700 -0.540 0.000 2.563 91 S HA 0.413 4.882 4.470 -0.000 0.000 0.279 91 S C -0.184 174.240 174.600 -0.292 0.000 1.155 91 S CA -0.333 57.596 58.200 -0.450 0.000 0.928 91 S CB 1.222 63.971 63.200 -0.753 0.000 1.107 91 S HN 0.729 nan 8.310 nan 0.000 0.462 92 E N 1.532 121.653 120.200 -0.131 0.000 2.083 92 E HA 0.142 4.492 4.350 -0.000 0.000 0.193 92 E C 0.277 176.889 176.600 0.021 0.000 0.950 92 E CA 0.312 56.675 56.400 -0.062 0.000 0.849 92 E CB 0.047 29.717 29.700 -0.051 0.000 0.827 92 E HN 0.702 nan 8.360 nan 0.000 0.465 93 S N 2.124 117.849 115.700 0.043 0.000 2.545 93 S HA 0.152 4.622 4.470 -0.000 0.000 0.275 93 S C -1.979 172.734 174.600 0.187 0.000 1.299 93 S CA -1.289 56.964 58.200 0.088 0.000 1.048 93 S CB 1.035 64.269 63.200 0.057 0.000 0.938 93 S HN -0.038 nan 8.310 nan 0.000 0.496 94 P HA 0.048 nan 4.420 nan 0.000 0.247 94 P C 0.070 177.442 177.300 0.120 0.000 1.225 94 P CA 0.541 63.772 63.100 0.218 0.000 0.768 94 P CB -0.178 31.540 31.700 0.030 0.000 1.020 95 D N -2.253 118.228 120.400 0.135 0.000 2.433 95 D HA 0.074 4.714 4.640 -0.000 0.000 0.211 95 D C 0.027 176.408 176.300 0.135 0.000 1.114 95 D CA -0.215 53.849 54.000 0.107 0.000 0.837 95 D CB 0.051 40.889 40.800 0.063 0.000 0.984 95 D HN -0.032 nan 8.370 nan 0.000 0.505 96 S N 0.136 115.930 115.700 0.157 0.000 2.614 96 S HA 0.565 5.035 4.470 -0.000 0.000 0.288 96 S C -1.383 173.275 174.600 0.098 0.000 1.137 96 S CA -0.588 57.683 58.200 0.119 0.000 0.992 96 S CB 1.503 64.744 63.200 0.068 0.000 1.026 96 S HN -0.038 nan 8.310 nan 0.000 0.486 97 V N 6.063 126.011 119.914 0.056 0.000 2.448 97 V HA 0.542 4.661 4.120 -0.000 0.000 0.295 97 V C -0.379 175.641 176.094 -0.123 0.000 1.025 97 V CA -0.644 61.577 62.300 -0.131 0.000 0.859 97 V CB 1.416 33.017 31.823 -0.371 0.000 0.988 97 V HN 0.855 nan 8.190 nan 0.000 0.431 98 I N 5.990 126.459 120.570 -0.168 0.000 2.307 98 I HA 0.449 4.619 4.170 -0.000 0.000 0.289 98 I C -0.417 175.639 176.117 -0.102 0.000 1.021 98 I CA -0.099 61.147 61.300 -0.091 0.000 1.224 98 I CB 1.056 39.005 38.000 -0.085 0.000 1.376 98 I HN 0.423 nan 8.210 nan 0.000 0.470 99 I N 6.761 127.336 120.570 0.008 0.000 2.354 99 I HA 0.318 4.488 4.170 -0.000 0.000 0.292 99 I C -0.233 175.964 176.117 0.133 0.000 0.989 99 I CA -0.419 60.914 61.300 0.055 0.000 1.188 99 I CB 0.948 39.009 38.000 0.102 0.000 1.342 99 I HN 0.559 nan 8.210 nan 0.000 0.457 100 N N 7.384 126.129 118.700 0.074 0.000 2.372 100 N HA 0.425 5.164 4.740 -0.000 0.000 0.285 100 N C -0.894 174.664 175.510 0.081 0.000 1.008 100 N CA -0.590 52.499 53.050 0.064 0.000 0.880 100 N CB 2.671 41.163 38.487 0.008 0.000 1.239 100 N HN 0.359 nan 8.380 nan 0.000 0.484 101 I N 4.359 124.986 120.570 0.096 0.000 2.377 101 I HA 0.253 4.423 4.170 -0.000 0.000 0.282 101 I C 0.720 176.854 176.117 0.029 0.000 1.091 101 I CA -0.582 60.765 61.300 0.077 0.000 1.207 101 I CB -0.356 37.722 38.000 0.130 0.000 1.429 101 I HN 0.401 nan 8.210 nan 0.000 0.491 102 I N 2.482 123.061 120.570 0.014 0.000 2.533 102 I HA 0.756 4.926 4.170 -0.000 0.000 0.284 102 I C 0.500 176.613 176.117 -0.007 0.000 1.109 102 I CA 0.384 61.683 61.300 -0.001 0.000 1.412 102 I CB 0.838 38.837 38.000 -0.001 0.000 1.396 102 I HN 0.515 nan 8.210 nan 0.000 0.543 103 G N 3.476 112.269 108.800 -0.011 0.000 2.578 103 G HA2 0.260 4.220 3.960 -0.000 0.000 0.302 103 G HA3 0.260 4.220 3.960 -0.000 0.000 0.302 103 G C 0.293 175.184 174.900 -0.015 0.000 1.243 103 G CA -0.008 45.084 45.100 -0.014 0.000 0.843 103 G HN 0.725 nan 8.290 nan 0.000 0.486 104 S N -1.544 114.148 115.700 -0.015 0.000 2.407 104 S HA -0.008 4.462 4.470 -0.000 0.000 0.235 104 S C 1.104 175.693 174.600 -0.017 0.000 1.036 104 S CA 2.245 60.436 58.200 -0.015 0.000 1.013 104 S CB -0.309 62.883 63.200 -0.014 0.000 0.820 104 S HN 1.220 nan 8.310 nan 0.000 0.476 105 T N 0.821 115.364 114.554 -0.019 0.000 2.881 105 T HA 0.399 4.749 4.350 -0.000 0.000 0.290 105 T C -1.314 173.369 174.700 -0.028 0.000 1.000 105 T CA -0.802 61.283 62.100 -0.025 0.000 0.978 105 T CB 1.112 69.965 68.868 -0.026 0.000 0.997 105 T HN 0.390 nan 8.240 nan 0.000 0.443 106 N N 3.387 122.065 118.700 -0.036 0.000 2.415 106 N HA 0.364 5.104 4.740 -0.000 0.000 0.246 106 N C -0.536 174.932 175.510 -0.069 0.000 1.078 106 N CA -0.661 52.365 53.050 -0.040 0.000 0.942 106 N CB 0.306 38.771 38.487 -0.037 0.000 1.140 106 N HN 0.292 nan 8.380 nan 0.000 0.501 107 R N 2.047 122.503 120.500 -0.074 0.000 2.221 107 R HA 0.201 4.541 4.340 -0.000 0.000 0.327 107 R C -0.583 175.592 176.300 -0.209 0.000 1.033 107 R CA -0.245 55.753 56.100 -0.170 0.000 0.887 107 R CB 0.843 31.064 30.300 -0.132 0.000 1.057 107 R HN 0.531 nan 8.270 nan 0.000 0.455 108 E N 3.501 123.508 120.200 -0.321 0.000 2.145 108 E HA 0.294 4.644 4.350 -0.000 0.000 0.270 108 E C -1.158 175.218 176.600 -0.374 0.000 0.906 108 E CA -0.509 55.755 56.400 -0.227 0.000 0.761 108 E CB 0.696 30.319 29.700 -0.129 0.000 1.116 108 E HN 0.339 nan 8.360 nan 0.000 0.408 109 F N 3.050 123.009 119.950 0.015 0.000 2.469 109 F HA 0.329 4.856 4.527 -0.000 0.000 0.332 109 F C 0.722 176.551 175.800 0.048 0.000 1.103 109 F CA -0.913 57.120 58.000 0.056 0.000 0.979 109 F CB 1.405 40.453 39.000 0.081 0.000 1.137 109 F HN 0.360 nan 8.300 nan 0.000 0.463 110 N N 3.016 121.861 118.700 0.241 0.000 2.990 110 N HA 0.199 4.939 4.740 -0.000 0.000 0.288 110 N C -1.258 174.350 175.510 0.163 0.000 1.624 110 N CA -0.052 53.083 53.050 0.141 0.000 0.961 110 N CB 0.575 39.108 38.487 0.077 0.000 1.259 110 N HN 0.266 nan 8.380 nan 0.000 0.489 111 V N 2.433 122.470 119.914 0.205 0.000 2.555 111 V HA 0.216 4.336 4.120 -0.000 0.000 0.286 111 V C 0.818 177.028 176.094 0.194 0.000 1.044 111 V CA -0.445 61.991 62.300 0.227 0.000 1.026 111 V CB 0.489 32.541 31.823 0.382 0.000 0.981 111 V HN 0.313 nan 8.190 nan 0.000 0.480 112 R N 3.427 124.011 120.500 0.139 0.000 2.442 112 R HA 0.165 4.505 4.340 -0.000 0.000 0.291 112 R C 0.198 176.626 176.300 0.214 0.000 1.069 112 R CA -0.116 56.066 56.100 0.136 0.000 1.022 112 R CB -0.288 30.052 30.300 0.066 0.000 0.976 112 R HN 0.697 nan 8.270 nan 0.000 0.443 113 N N 2.712 121.555 118.700 0.238 0.000 2.452 113 N HA 0.070 4.809 4.740 -0.000 0.000 0.266 113 N C -0.858 174.750 175.510 0.164 0.000 1.175 113 N CA 0.102 53.333 53.050 0.302 0.000 0.945 113 N CB 0.441 39.105 38.487 0.294 0.000 1.063 113 N HN 0.388 nan 8.380 nan 0.000 0.472 114 L N 2.600 123.904 121.223 0.135 0.000 2.350 114 L HA 0.233 4.573 4.340 -0.000 0.000 0.275 114 L C 0.695 177.568 176.870 0.004 0.000 1.099 114 L CA -0.426 54.439 54.840 0.041 0.000 0.808 114 L CB 0.868 42.926 42.059 -0.001 0.000 1.149 114 L HN 0.479 nan 8.230 nan 0.000 0.442 115 E N 2.529 122.724 120.200 -0.008 0.000 2.148 115 E HA 0.114 4.464 4.350 -0.000 0.000 0.308 115 E C -0.757 175.820 176.600 -0.037 0.000 1.278 115 E CA -0.325 56.063 56.400 -0.021 0.000 1.368 115 E CB 0.308 30.000 29.700 -0.014 0.000 1.229 115 E HN 0.270 nan 8.360 nan 0.000 0.494 116 V N 2.063 121.942 119.914 -0.058 0.000 2.455 116 V HA 0.006 4.126 4.120 -0.000 0.000 0.273 116 V C 0.521 176.583 176.094 -0.054 0.000 1.045 116 V CA -0.299 61.956 62.300 -0.075 0.000 0.976 116 V CB 1.279 33.023 31.823 -0.131 0.000 0.993 116 V HN 0.381 nan 8.190 nan 0.000 0.475 117 S N 4.241 119.918 115.700 -0.038 0.000 2.448 117 S HA 0.232 4.702 4.470 -0.000 0.000 0.279 117 S C 0.047 174.635 174.600 -0.021 0.000 1.195 117 S CA -0.460 57.726 58.200 -0.025 0.000 1.051 117 S CB 0.342 63.533 63.200 -0.014 0.000 0.948 117 S HN 0.787 nan 8.310 nan 0.000 0.493 118 E N 2.515 122.704 120.200 -0.020 0.000 2.257 118 E HA 0.095 4.445 4.350 -0.000 0.000 0.278 118 E C 0.010 176.609 176.600 -0.002 0.000 1.049 118 E CA 0.040 56.432 56.400 -0.013 0.000 0.876 118 E CB 0.444 30.137 29.700 -0.012 0.000 1.035 118 E HN 0.490 nan 8.360 nan 0.000 0.419 119 Q N 2.512 122.317 119.800 0.009 0.000 2.256 119 Q HA 0.107 4.446 4.340 -0.000 0.000 0.254 119 Q C -0.708 175.298 176.000 0.009 0.000 0.916 119 Q CA -0.660 55.150 55.803 0.011 0.000 0.932 119 Q CB 0.840 29.595 28.738 0.028 0.000 1.207 119 Q HN 0.388 nan 8.270 nan 0.000 0.426 120 E N 3.105 123.305 120.200 0.000 0.000 2.366 120 E HA 0.019 4.369 4.350 -0.000 0.000 0.266 120 E C -0.683 175.917 176.600 0.001 0.000 1.015 120 E CA 0.125 56.525 56.400 -0.000 0.000 0.906 120 E CB 0.415 30.112 29.700 -0.005 0.000 0.979 120 E HN 0.550 nan 8.360 nan 0.000 0.443 121 I N 7.222 127.795 120.570 0.006 0.000 2.293 121 I HA 0.176 4.345 4.170 -0.000 0.000 0.299 121 I C -1.707 174.410 176.117 -0.000 0.000 1.153 121 I CA -1.665 59.639 61.300 0.007 0.000 1.302 121 I CB 0.706 38.716 38.000 0.016 0.000 1.460 121 I HN 0.552 nan 8.210 nan 0.000 0.552 122 P HA 0.118 nan 4.420 nan 0.000 0.249 122 P C -0.390 176.901 177.300 -0.016 0.000 1.229 122 P CA 0.474 63.566 63.100 -0.012 0.000 0.788 122 P CB 0.146 31.836 31.700 -0.016 0.000 1.072 123 E N 0.242 120.432 120.200 -0.016 0.000 2.349 123 E HA 0.212 4.562 4.350 -0.000 0.000 0.290 123 E C -0.009 176.579 176.600 -0.020 0.000 0.901 123 E CA -0.249 56.136 56.400 -0.024 0.000 0.800 123 E CB 1.128 30.808 29.700 -0.034 0.000 1.303 123 E HN -0.135 nan 8.360 nan 0.000 0.397 124 I N 1.457 122.015 120.570 -0.019 0.000 3.708 124 I HA 0.116 4.286 4.170 -0.000 0.000 0.302 124 I C 0.529 176.628 176.117 -0.030 0.000 1.255 124 I CA -0.389 60.905 61.300 -0.009 0.000 1.362 124 I CB -0.057 37.947 38.000 0.005 0.000 1.100 124 I HN 0.273 nan 8.210 nan 0.000 0.434 125 N N 3.693 122.360 118.700 -0.054 0.000 2.458 125 N HA 0.290 5.030 4.740 -0.000 0.000 0.258 125 N C -0.674 174.743 175.510 -0.155 0.000 1.219 125 N CA 0.616 53.611 53.050 -0.092 0.000 0.902 125 N CB 1.280 39.715 38.487 -0.087 0.000 1.076 125 N HN 0.171 nan 8.380 nan 0.000 0.455 126 L N 2.512 123.590 121.223 -0.242 0.000 2.504 126 L HA 0.189 4.529 4.340 -0.000 0.000 0.265 126 L C -0.482 175.934 176.870 -0.757 0.000 0.975 126 L CA -0.885 53.656 54.840 -0.500 0.000 0.864 126 L CB 1.632 43.412 42.059 -0.465 0.000 1.212 126 L HN 0.196 nan 8.230 nan 0.000 0.416 127 Q N 3.704 123.112 119.800 -0.654 0.000 2.288 127 Q HA 0.547 4.887 4.340 -0.000 0.000 0.258 127 Q C -0.993 174.615 176.000 -0.654 0.000 0.957 127 Q CA 0.208 55.714 55.803 -0.496 0.000 0.919 127 Q CB 1.495 30.074 28.738 -0.265 0.000 1.185 127 Q HN 0.387 nan 8.270 nan 0.000 0.408 128 F N 0.403 120.298 119.950 -0.091 0.000 2.588 128 F HA 0.265 4.792 4.527 -0.000 0.000 0.314 128 F C 0.913 176.615 175.800 -0.162 0.000 1.069 128 F CA -0.913 57.020 58.000 -0.112 0.000 0.931 128 F CB 2.113 41.040 39.000 -0.120 0.000 1.260 128 F HN 0.358 nan 8.300 nan 0.000 0.465 129 D N 1.283 121.698 120.400 0.025 0.000 2.197 129 D HA 0.177 4.817 4.640 -0.000 0.000 0.212 129 D C 0.210 176.350 176.300 -0.267 0.000 0.963 129 D CA 1.463 55.365 54.000 -0.163 0.000 0.864 129 D CB 0.546 41.244 40.800 -0.170 0.000 1.009 129 D HN 0.200 nan 8.370 nan 0.000 0.479 130 I N 0.780 121.132 120.570 -0.364 0.000 2.436 130 I HA 0.150 4.319 4.170 -0.000 0.000 0.289 130 I C -0.678 175.219 176.117 -0.367 0.000 1.010 130 I CA -0.473 60.606 61.300 -0.368 0.000 1.098 130 I CB 2.138 39.797 38.000 -0.569 0.000 1.266 130 I HN -0.239 nan 8.210 nan 0.000 0.434 131 S N 4.816 120.409 115.700 -0.177 0.000 2.530 131 S HA 0.872 5.342 4.470 -0.000 0.000 0.322 131 S C -0.465 174.080 174.600 -0.092 0.000 1.085 131 S CA -0.734 57.370 58.200 -0.160 0.000 1.096 131 S CB 1.732 64.857 63.200 -0.124 0.000 0.988 131 S HN 0.694 nan 8.310 nan 0.000 0.466 132 A N 2.714 125.483 122.820 -0.085 0.000 2.343 132 A HA 0.782 5.102 4.320 -0.000 0.000 0.316 132 A C -0.176 177.364 177.584 -0.073 0.000 1.104 132 A CA -0.818 51.196 52.037 -0.038 0.000 0.768 132 A CB 1.160 20.177 19.000 0.027 0.000 1.213 132 A HN 0.665 nan 8.150 nan 0.000 0.456 133 T N 3.398 117.922 114.554 -0.051 0.000 2.821 133 T HA 0.542 4.892 4.350 -0.000 0.000 0.307 133 T C 0.083 174.797 174.700 0.024 0.000 1.034 133 T CA -0.020 62.056 62.100 -0.040 0.000 0.953 133 T CB -0.336 68.504 68.868 -0.046 0.000 0.968 133 T HN 0.690 nan 8.240 nan 0.000 0.462 134 I N -0.202 120.356 120.570 -0.020 0.000 3.023 134 I HA 0.809 4.979 4.170 -0.000 0.000 0.312 134 I C 0.393 176.533 176.117 0.038 0.000 1.056 134 I CA -1.234 60.049 61.300 -0.027 0.000 1.033 134 I CB 1.791 39.522 38.000 -0.449 0.000 1.233 134 I HN 0.475 nan 8.210 nan 0.000 0.462 135 S N 1.842 117.520 115.700 -0.036 0.000 2.572 135 S HA 0.150 4.620 4.470 -0.000 0.000 0.279 135 S C 0.771 175.310 174.600 -0.102 0.000 1.341 135 S CA -0.167 57.880 58.200 -0.254 0.000 1.043 135 S CB 1.139 64.204 63.200 -0.226 0.000 0.887 135 S HN 0.707 nan 8.310 nan 0.000 0.516 136 S N 1.625 117.269 115.700 -0.092 0.000 2.406 136 S HA -0.079 4.391 4.470 -0.000 0.000 0.228 136 S C 1.259 175.930 174.600 0.118 0.000 1.020 136 S CA 1.064 59.313 58.200 0.082 0.000 0.965 136 S CB -0.506 62.762 63.200 0.113 0.000 0.798 136 S HN 0.811 nan 8.310 nan 0.000 0.488 137 D N 1.442 121.869 120.400 0.045 0.000 2.117 137 D HA -0.034 4.605 4.640 -0.000 0.000 0.197 137 D C 2.138 178.512 176.300 0.123 0.000 0.987 137 D CA 1.226 55.264 54.000 0.064 0.000 0.829 137 D CB -0.762 40.054 40.800 0.027 0.000 0.961 137 D HN 0.439 nan 8.370 nan 0.000 0.460 138 G N -0.166 108.734 108.800 0.166 0.000 2.421 138 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.216 138 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.216 138 G C 1.513 176.634 174.900 0.367 0.000 1.171 138 G CA 0.356 45.668 45.100 0.353 0.000 0.775 138 G HN 0.260 nan 8.290 nan 0.000 0.543 139 F N 1.453 121.417 119.950 0.025 0.000 2.134 139 F HA 0.066 4.593 4.527 -0.000 0.000 0.299 139 F C 2.538 178.389 175.800 0.086 0.000 1.097 139 F CA 1.873 59.880 58.000 0.010 0.000 1.264 139 F CB -0.125 38.844 39.000 -0.051 0.000 1.001 139 F HN 0.116 nan 8.300 nan 0.000 0.479 140 K N -0.198 120.251 120.400 0.082 0.000 2.002 140 K HA -0.167 4.153 4.320 -0.000 0.000 0.209 140 K C 2.319 178.891 176.600 -0.046 0.000 1.048 140 K CA 1.770 58.046 56.287 -0.018 0.000 0.930 140 K CB -0.413 32.121 32.500 0.056 0.000 0.714 140 K HN 0.224 nan 8.250 nan 0.000 0.438 141 S N 0.557 116.274 115.700 0.028 0.000 2.365 141 S HA -0.225 4.245 4.470 -0.000 0.000 0.225 141 S C 2.007 176.611 174.600 0.008 0.000 1.039 141 S CA 1.445 59.662 58.200 0.029 0.000 1.033 141 S CB -0.429 62.813 63.200 0.071 0.000 0.887 141 S HN 0.552 nan 8.310 nan 0.000 0.447 142 A N 1.838 124.687 122.820 0.049 0.000 1.865 142 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 142 A C 2.056 179.588 177.584 -0.087 0.000 1.191 142 A CA 1.391 53.452 52.037 0.041 0.000 0.623 142 A CB -0.720 18.415 19.000 0.224 0.000 0.826 142 A HN 0.405 nan 8.150 nan 0.000 0.444 143 I N 0.025 120.440 120.570 -0.259 0.000 2.113 143 I HA -0.177 3.993 4.170 -0.000 0.000 0.238 143 I C 2.666 178.704 176.117 -0.131 0.000 1.070 143 I CA 1.868 63.010 61.300 -0.265 0.000 1.332 143 I CB -1.638 36.083 38.000 -0.466 0.000 1.044 143 I HN 0.234 nan 8.210 nan 0.000 0.402 144 S N 0.270 115.903 115.700 -0.112 0.000 2.402 144 S HA -0.211 4.259 4.470 -0.000 0.000 0.233 144 S C 1.853 176.427 174.600 -0.042 0.000 1.030 144 S CA 1.346 59.509 58.200 -0.063 0.000 1.003 144 S CB -0.197 62.974 63.200 -0.049 0.000 0.813 144 S HN 0.470 nan 8.310 nan 0.000 0.477 145 E N 0.227 120.404 120.200 -0.039 0.000 2.015 145 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 145 E C 2.131 178.717 176.600 -0.024 0.000 0.991 145 E CA 1.218 57.602 56.400 -0.026 0.000 0.802 145 E CB -0.180 29.507 29.700 -0.021 0.000 0.759 145 E HN 0.236 nan 8.360 nan 0.000 0.447 146 V N 1.076 120.974 119.914 -0.027 0.000 2.490 146 V HA -0.215 3.905 4.120 -0.000 0.000 0.250 146 V C 2.135 178.222 176.094 -0.013 0.000 1.061 146 V CA 1.687 63.977 62.300 -0.016 0.000 1.064 146 V CB -0.260 31.555 31.823 -0.013 0.000 0.670 146 V HN 0.194 nan 8.190 nan 0.000 0.461 147 S N 0.245 115.932 115.700 -0.022 0.000 2.423 147 S HA -0.134 4.335 4.470 -0.000 0.000 0.231 147 S C 1.967 176.561 174.600 -0.010 0.000 1.014 147 S CA 1.554 59.746 58.200 -0.013 0.000 0.965 147 S CB -0.322 62.865 63.200 -0.021 0.000 0.785 147 S HN 0.859 nan 8.310 nan 0.000 0.495 148 T N -0.345 114.201 114.554 -0.013 0.000 3.160 148 T HA 0.125 4.475 4.350 -0.000 0.000 0.257 148 T C 1.225 175.921 174.700 -0.007 0.000 1.147 148 T CA 0.727 62.820 62.100 -0.011 0.000 1.064 148 T CB -0.183 68.677 68.868 -0.013 0.000 0.949 148 T HN 0.373 nan 8.240 nan 0.000 0.526 149 V N -4.212 115.699 119.914 -0.005 0.000 3.408 149 V HA 0.477 4.596 4.120 -0.000 0.000 0.263 149 V C 0.437 176.532 176.094 0.002 0.000 1.503 149 V CA 0.082 62.381 62.300 -0.002 0.000 1.046 149 V CB 0.440 32.261 31.823 -0.003 0.000 0.851 149 V HN 0.389 nan 8.190 nan 0.000 0.435 150 T N 1.654 116.210 114.554 0.004 0.000 2.868 150 T HA 0.520 4.869 4.350 -0.000 0.000 0.306 150 T C -1.302 173.407 174.700 0.016 0.000 1.224 150 T CA 0.425 62.531 62.100 0.009 0.000 1.012 150 T CB 2.011 70.885 68.868 0.011 0.000 1.221 150 T HN 0.537 nan 8.240 nan 0.000 0.499 151 D N 1.298 121.711 120.400 0.022 0.000 2.525 151 D HA 0.239 4.879 4.640 -0.000 0.000 0.229 151 D C -0.254 176.075 176.300 0.050 0.000 1.202 151 D CA -0.370 53.652 54.000 0.037 0.000 0.828 151 D CB -0.120 40.701 40.800 0.036 0.000 1.008 151 D HN 0.214 nan 8.370 nan 0.000 0.493 152 N N 0.557 119.279 118.700 0.037 0.000 2.716 152 N HA 0.144 4.884 4.740 -0.000 0.000 0.253 152 N C -1.083 174.444 175.510 0.028 0.000 1.170 152 N CA -0.406 52.663 53.050 0.031 0.000 0.807 152 N CB 2.046 40.540 38.487 0.011 0.000 1.183 152 N HN -0.066 nan 8.380 nan 0.000 0.524 153 V N 2.122 122.069 119.914 0.055 0.000 2.364 153 V HA 0.085 4.205 4.120 -0.000 0.000 0.252 153 V C 0.629 176.748 176.094 0.041 0.000 1.075 153 V CA -0.427 61.907 62.300 0.055 0.000 1.033 153 V CB 0.214 32.086 31.823 0.082 0.000 1.116 153 V HN 0.194 nan 8.190 nan 0.000 0.488 154 V N 6.669 126.588 119.914 0.007 0.000 2.415 154 V HA 0.162 4.282 4.120 -0.000 0.000 0.267 154 V C 0.261 176.348 176.094 -0.012 0.000 1.042 154 V CA -0.213 62.075 62.300 -0.021 0.000 1.000 154 V CB 0.980 32.798 31.823 -0.008 0.000 1.015 154 V HN 0.577 nan 8.190 nan 0.000 0.478 155 V N 4.786 124.658 119.914 -0.069 0.000 2.394 155 V HA 0.490 4.609 4.120 -0.000 0.000 0.282 155 V C 0.019 176.040 176.094 -0.121 0.000 1.031 155 V CA -0.530 61.656 62.300 -0.189 0.000 0.881 155 V CB 1.487 32.981 31.823 -0.548 0.000 0.982 155 V HN 0.943 nan 8.190 nan 0.000 0.451 156 E N 2.402 122.653 120.200 0.085 0.000 2.248 156 E HA 0.727 5.077 4.350 -0.000 0.000 0.267 156 E C -0.410 176.401 176.600 0.353 0.000 0.877 156 E CA -0.555 55.984 56.400 0.231 0.000 0.759 156 E CB 2.251 32.068 29.700 0.195 0.000 1.182 156 E HN 0.879 nan 8.360 nan 0.000 0.418 157 G N 2.356 111.294 108.800 0.229 0.000 2.591 157 G HA2 0.578 4.538 3.960 -0.000 0.000 0.306 157 G HA3 0.578 4.538 3.960 -0.000 0.000 0.306 157 G C -1.536 173.195 174.900 -0.283 0.000 1.334 157 G CA -0.309 44.875 45.100 0.140 0.000 0.981 157 G HN 0.570 nan 8.290 nan 0.000 0.491 158 H N -0.742 118.351 119.070 0.038 0.000 2.960 158 H HA 0.328 4.884 4.556 -0.000 0.000 0.303 158 H C 0.991 175.864 175.328 -0.759 0.000 1.412 158 H CA -0.621 55.282 56.048 -0.242 0.000 1.227 158 H CB 1.625 31.316 29.762 -0.119 0.000 1.912 158 H HN 0.470 nan 8.280 nan 0.000 0.583 159 E N 0.724 120.388 120.200 -0.894 0.000 2.338 159 E HA -0.156 4.194 4.350 -0.000 0.000 0.197 159 E C 0.002 176.394 176.600 -0.346 0.000 1.007 159 E CA 1.818 57.670 56.400 -0.913 0.000 0.849 159 E CB 0.175 29.525 29.700 -0.583 0.000 0.774 159 E HN 0.789 nan 8.360 nan 0.000 0.506 160 D N 0.536 120.824 120.400 -0.186 0.000 2.403 160 D HA -0.018 4.621 4.640 -0.000 0.000 0.280 160 D C 0.726 177.027 176.300 0.002 0.000 1.091 160 D CA -0.081 53.876 54.000 -0.072 0.000 0.884 160 D CB -0.125 40.641 40.800 -0.057 0.000 1.427 160 D HN 0.177 nan 8.370 nan 0.000 0.504 161 R N 0.415 120.939 120.500 0.040 0.000 2.637 161 R HA 0.693 5.033 4.340 -0.000 0.000 0.291 161 R C -1.259 175.171 176.300 0.216 0.000 0.963 161 R CA -0.863 55.306 56.100 0.115 0.000 0.901 161 R CB 1.570 31.911 30.300 0.068 0.000 1.160 161 R HN -0.177 nan 8.270 nan 0.000 0.457 162 I N 3.540 124.267 120.570 0.263 0.000 2.382 162 I HA 0.290 4.460 4.170 -0.000 0.000 0.286 162 I C -0.621 175.712 176.117 0.361 0.000 1.002 162 I CA -0.534 60.968 61.300 0.336 0.000 1.135 162 I CB 1.786 39.988 38.000 0.337 0.000 1.288 162 I HN 0.476 nan 8.210 nan 0.000 0.448 163 L N 7.421 128.832 121.223 0.315 0.000 2.287 163 L HA 0.561 4.901 4.340 -0.000 0.000 0.287 163 L C -0.552 176.442 176.870 0.207 0.000 1.022 163 L CA -0.447 54.535 54.840 0.237 0.000 0.814 163 L CB 1.046 43.225 42.059 0.200 0.000 1.217 163 L HN 0.429 nan 8.230 nan 0.000 0.420 164 I N 5.404 126.100 120.570 0.209 0.000 2.330 164 I HA 0.309 4.479 4.170 -0.000 0.000 0.286 164 I C -0.105 176.063 176.117 0.086 0.000 1.025 164 I CA -0.311 61.077 61.300 0.147 0.000 1.197 164 I CB 0.749 38.870 38.000 0.202 0.000 1.358 164 I HN 0.606 nan 8.210 nan 0.000 0.467 165 K N 5.213 125.648 120.400 0.058 0.000 2.443 165 K HA 0.909 5.229 4.320 -0.000 0.000 0.251 165 K C -1.441 175.174 176.600 0.025 0.000 0.972 165 K CA -0.882 55.428 56.287 0.039 0.000 0.833 165 K CB 2.566 35.093 32.500 0.046 0.000 1.317 165 K HN 0.410 nan 8.250 nan 0.000 0.441 166 A N 1.383 124.213 122.820 0.017 0.000 2.305 166 A HA 0.356 4.675 4.320 -0.000 0.000 0.322 166 A C -0.475 177.116 177.584 0.012 0.000 1.187 166 A CA -0.626 51.418 52.037 0.012 0.000 0.825 166 A CB 0.584 19.588 19.000 0.006 0.000 1.164 166 A HN 0.873 nan 8.150 nan 0.000 0.498 167 E N 1.999 122.205 120.200 0.010 0.000 3.157 167 E HA 0.224 4.573 4.350 -0.000 0.000 0.203 167 E C 0.904 177.508 176.600 0.007 0.000 0.982 167 E CA -0.147 56.259 56.400 0.009 0.000 1.217 167 E CB 0.953 30.660 29.700 0.010 0.000 1.123 167 E HN 0.848 nan 8.360 nan 0.000 0.457 168 G N 1.038 109.841 108.800 0.006 0.000 3.022 168 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.157 168 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.157 168 G C 0.845 175.748 174.900 0.004 0.000 1.691 168 G CA -0.053 45.050 45.100 0.005 0.000 1.079 168 G HN 0.189 nan 8.290 nan 0.000 0.549 169 E N -0.810 119.392 120.200 0.003 0.000 2.060 169 E HA 0.057 4.407 4.350 -0.000 0.000 0.189 169 E C 0.622 177.223 176.600 0.002 0.000 0.974 169 E CA 0.217 56.618 56.400 0.003 0.000 0.808 169 E CB 0.094 29.795 29.700 0.002 0.000 0.768 169 E HN 0.245 nan 8.360 nan 0.000 0.453 170 S N 1.379 117.080 115.700 0.001 0.000 2.430 170 S HA 0.149 4.618 4.470 -0.000 0.000 0.289 170 S C -0.857 173.744 174.600 0.001 0.000 1.143 170 S CA -0.248 57.952 58.200 0.000 0.000 1.067 170 S CB 1.048 64.247 63.200 -0.002 0.000 0.964 170 S HN 0.150 nan 8.310 nan 0.000 0.485 171 E N 2.690 122.891 120.200 0.002 0.000 2.089 171 E HA 0.313 4.663 4.350 -0.000 0.000 0.284 171 E C -0.654 175.947 176.600 0.001 0.000 1.023 171 E CA -0.371 56.031 56.400 0.003 0.000 0.819 171 E CB 1.017 30.720 29.700 0.006 0.000 1.076 171 E HN 0.274 nan 8.360 nan 0.000 0.396 172 V N 2.837 122.752 119.914 0.002 0.000 2.850 172 V HA 0.413 4.533 4.120 -0.000 0.000 0.315 172 V C -0.052 176.044 176.094 0.003 0.000 1.064 172 V CA -0.637 61.662 62.300 -0.002 0.000 0.979 172 V CB 1.869 33.689 31.823 -0.005 0.000 1.039 172 V HN 0.695 nan 8.190 nan 0.000 0.452 173 E N 1.406 121.604 120.200 -0.004 0.000 2.404 173 E HA 0.429 4.779 4.350 -0.000 0.000 0.298 173 E C -2.066 174.520 176.600 -0.022 0.000 0.908 173 E CA -0.318 56.084 56.400 0.003 0.000 0.808 173 E CB 1.981 31.685 29.700 0.007 0.000 1.380 173 E HN 0.467 nan 8.360 nan 0.000 0.392 174 V N 3.837 123.743 119.914 -0.015 0.000 2.370 174 V HA 0.355 4.475 4.120 -0.000 0.000 0.279 174 V C -0.007 176.007 176.094 -0.134 0.000 1.029 174 V CA -0.556 61.686 62.300 -0.097 0.000 0.870 174 V CB 1.351 33.143 31.823 -0.052 0.000 0.984 174 V HN 0.644 nan 8.190 nan 0.000 0.451 175 E N 4.071 124.100 120.200 -0.285 0.000 2.145 175 E HA 0.539 4.888 4.350 -0.000 0.000 0.270 175 E C -1.697 174.671 176.600 -0.387 0.000 0.906 175 E CA -0.591 55.697 56.400 -0.186 0.000 0.761 175 E CB 1.062 30.705 29.700 -0.094 0.000 1.116 175 E HN 0.562 nan 8.360 nan 0.000 0.408 176 F N 2.813 122.810 119.950 0.079 0.000 2.382 176 F HA 0.342 4.869 4.527 -0.000 0.000 0.361 176 F C -0.007 175.834 175.800 0.068 0.000 1.109 176 F CA -0.568 57.479 58.000 0.079 0.000 1.031 176 F CB 1.699 40.761 39.000 0.103 0.000 1.234 176 F HN 0.233 nan 8.300 nan 0.000 0.445 177 S N 2.175 117.976 115.700 0.167 0.000 2.681 177 S HA 0.380 4.850 4.470 -0.000 0.000 0.299 177 S C 1.022 175.678 174.600 0.093 0.000 1.113 177 S CA -1.101 57.160 58.200 0.101 0.000 1.013 177 S CB 2.269 65.495 63.200 0.044 0.000 1.076 177 S HN 0.595 nan 8.310 nan 0.000 0.534 178 K N 0.996 121.430 120.400 0.056 0.000 2.057 178 K HA -0.133 4.187 4.320 -0.000 0.000 0.206 178 K C 1.449 178.071 176.600 0.037 0.000 1.050 178 K CA 1.701 58.013 56.287 0.041 0.000 0.935 178 K CB -0.174 32.335 32.500 0.015 0.000 0.715 178 K HN 0.725 nan 8.250 nan 0.000 0.439 179 D N -0.748 119.668 120.400 0.027 0.000 2.234 179 D HA -0.113 4.527 4.640 -0.000 0.000 0.205 179 D C 1.668 177.985 176.300 0.028 0.000 0.962 179 D CA 1.016 55.029 54.000 0.021 0.000 0.855 179 D CB -0.529 40.276 40.800 0.009 0.000 0.951 179 D HN -0.077 nan 8.370 nan 0.000 0.500 180 T N -1.010 113.566 114.554 0.037 0.000 3.085 180 T HA 0.219 4.569 4.350 -0.000 0.000 0.263 180 T C 1.444 176.181 174.700 0.062 0.000 1.127 180 T CA 1.279 63.402 62.100 0.039 0.000 1.103 180 T CB -0.685 68.199 68.868 0.026 0.000 0.921 180 T HN 0.513 nan 8.240 nan 0.000 0.510 181 G N -0.085 108.762 108.800 0.079 0.000 2.198 181 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.260 181 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.260 181 G C 0.782 175.768 174.900 0.145 0.000 1.025 181 G CA 0.428 45.586 45.100 0.097 0.000 0.769 181 G HN 0.718 nan 8.290 nan 0.000 0.507 182 G N -1.235 107.677 108.800 0.186 0.000 2.651 182 G HA2 0.375 4.335 3.960 -0.000 0.000 0.207 182 G HA3 0.375 4.335 3.960 -0.000 0.000 0.207 182 G C 0.762 175.867 174.900 0.340 0.000 1.131 182 G CA 0.431 45.711 45.100 0.301 0.000 0.816 182 G HN 0.877 nan 8.290 nan 0.000 0.534 183 L N 2.045 123.436 121.223 0.280 0.000 2.295 183 L HA 0.362 4.701 4.340 -0.000 0.000 0.288 183 L C 0.892 177.837 176.870 0.124 0.000 1.079 183 L CA -0.015 54.939 54.840 0.189 0.000 0.830 183 L CB 1.234 43.406 42.059 0.188 0.000 1.200 183 L HN 0.239 nan 8.230 nan 0.000 0.438 184 Q N 3.077 122.940 119.800 0.105 0.000 1.940 184 Q HA -0.016 4.324 4.340 -0.000 0.000 0.200 184 Q C -0.136 175.854 176.000 -0.016 0.000 0.977 184 Q CA 0.728 56.550 55.803 0.033 0.000 0.841 184 Q CB 0.391 29.095 28.738 -0.058 0.000 0.901 184 Q HN 0.693 nan 8.270 nan 0.000 0.446 185 D N 0.907 121.279 120.400 -0.047 0.000 2.193 185 D HA 0.263 4.903 4.640 -0.000 0.000 0.244 185 D C -1.287 174.999 176.300 -0.024 0.000 1.064 185 D CA -0.139 53.833 54.000 -0.047 0.000 0.845 185 D CB 1.029 41.782 40.800 -0.079 0.000 1.148 185 D HN 0.153 nan 8.370 nan 0.000 0.464 186 L N 3.348 124.565 121.223 -0.010 0.000 2.381 186 L HA 0.485 4.825 4.340 -0.000 0.000 0.274 186 L C -1.091 175.791 176.870 0.020 0.000 0.988 186 L CA -0.520 54.324 54.840 0.007 0.000 0.824 186 L CB 1.881 43.950 42.059 0.017 0.000 1.263 186 L HN 0.480 nan 8.230 nan 0.000 0.410 187 E N 4.147 124.363 120.200 0.027 0.000 2.224 187 E HA 0.479 4.829 4.350 -0.000 0.000 0.265 187 E C -2.103 174.563 176.600 0.109 0.000 0.878 187 E CA -0.536 55.890 56.400 0.044 0.000 0.759 187 E CB 2.220 31.914 29.700 -0.010 0.000 1.164 187 E HN 0.452 nan 8.360 nan 0.000 0.414 188 F N 2.915 122.830 119.950 -0.060 0.000 2.569 188 F HA 0.373 4.899 4.527 -0.000 0.000 0.312 188 F C 0.126 175.895 175.800 -0.052 0.000 1.109 188 F CA -0.332 57.629 58.000 -0.065 0.000 0.919 188 F CB 1.987 40.962 39.000 -0.041 0.000 1.211 188 F HN 0.438 nan 8.300 nan 0.000 0.446 189 S N 2.863 118.097 115.700 -0.778 0.000 2.648 189 S HA 0.346 4.816 4.470 -0.000 0.000 0.270 189 S C -0.289 173.866 174.600 -0.741 0.000 1.082 189 S CA -0.328 57.528 58.200 -0.574 0.000 1.116 189 S CB 0.250 63.275 63.200 -0.291 0.000 1.040 189 S HN 0.590 nan 8.310 nan 0.000 0.572 190 K N 1.053 120.791 120.400 -1.104 0.000 2.583 190 K HA 0.227 4.547 4.320 -0.000 0.000 0.260 190 K C -1.862 174.431 176.600 -0.512 0.000 0.931 190 K CA -0.179 55.713 56.287 -0.658 0.000 0.849 190 K CB 1.876 34.192 32.500 -0.307 0.000 1.347 190 K HN 0.205 nan 8.250 nan 0.000 0.425 191 E N 1.336 121.501 120.200 -0.059 0.000 2.415 191 E HA 0.121 4.471 4.350 -0.000 0.000 0.263 191 E C -0.853 175.762 176.600 0.026 0.000 0.995 191 E CA 0.397 56.887 56.400 0.151 0.000 0.915 191 E CB 1.155 30.963 29.700 0.181 0.000 0.951 191 E HN 0.321 nan 8.360 nan 0.000 0.449 192 S N 2.598 118.319 115.700 0.036 0.000 2.541 192 S HA 0.349 4.819 4.470 -0.000 0.000 0.280 192 S C -0.726 173.997 174.600 0.204 0.000 1.112 192 S CA -0.821 57.446 58.200 0.111 0.000 0.925 192 S CB 1.584 64.854 63.200 0.116 0.000 1.067 192 S HN 0.368 nan 8.310 nan 0.000 0.479 193 K N 2.879 123.376 120.400 0.161 0.000 2.675 193 K HA 0.321 4.641 4.320 -0.000 0.000 0.224 193 K C -1.348 175.289 176.600 0.061 0.000 1.003 193 K CA -0.231 56.128 56.287 0.120 0.000 1.034 193 K CB 0.335 32.883 32.500 0.079 0.000 1.218 193 K HN 0.684 nan 8.250 nan 0.000 0.507 194 N N 0.731 119.449 118.700 0.030 0.000 2.380 194 N HA 0.344 5.084 4.740 -0.000 0.000 0.290 194 N C -1.461 173.831 175.510 -0.363 0.000 1.236 194 N CA -0.433 52.516 53.050 -0.168 0.000 0.780 194 N CB 2.024 40.409 38.487 -0.171 0.000 1.438 194 N HN 0.513 nan 8.380 nan 0.000 0.491 195 S N 0.899 116.288 115.700 -0.518 0.000 2.502 195 S HA 0.578 5.048 4.470 -0.000 0.000 0.304 195 S C -1.486 172.770 174.600 -0.573 0.000 1.097 195 S CA -0.587 57.371 58.200 -0.404 0.000 1.045 195 S CB 0.768 63.864 63.200 -0.174 0.000 1.019 195 S HN 0.468 nan 8.310 nan 0.000 0.481 196 Y N 0.519 120.816 120.300 -0.006 0.000 2.499 196 Y HA 0.580 5.130 4.550 -0.000 0.000 0.347 196 Y C 0.787 176.723 175.900 0.060 0.000 0.987 196 Y CA -1.066 57.046 58.100 0.019 0.000 1.044 196 Y CB 1.945 40.413 38.460 0.013 0.000 1.245 196 Y HN 0.723 nan 8.280 nan 0.000 0.461 197 S N 1.313 117.169 115.700 0.260 0.000 2.555 197 S HA 0.157 4.626 4.470 -0.000 0.000 0.293 197 S C 1.113 175.864 174.600 0.251 0.000 1.248 197 S CA 0.256 58.608 58.200 0.253 0.000 1.096 197 S CB 0.151 63.580 63.200 0.382 0.000 0.881 197 S HN 0.866 nan 8.310 nan 0.000 0.498 198 A N 4.569 127.485 122.820 0.160 0.000 1.930 198 A HA -0.107 4.212 4.320 -0.000 0.000 0.217 198 A C 1.960 179.604 177.584 0.099 0.000 1.175 198 A CA 1.584 53.688 52.037 0.111 0.000 0.627 198 A CB -0.612 18.423 19.000 0.058 0.000 0.815 198 A HN 0.997 nan 8.150 nan 0.000 0.443 199 E N -1.695 118.556 120.200 0.085 0.000 2.150 199 E HA -0.227 4.122 4.350 -0.000 0.000 0.193 199 E C 1.658 178.256 176.600 -0.005 0.000 0.985 199 E CA 1.338 57.740 56.400 0.004 0.000 0.814 199 E CB -0.502 29.164 29.700 -0.057 0.000 0.752 199 E HN 0.706 nan 8.360 nan 0.000 0.466 200 Y N 0.546 120.905 120.300 0.098 0.000 2.395 200 Y HA 0.028 4.578 4.550 -0.000 0.000 0.293 200 Y C 2.049 178.051 175.900 0.170 0.000 1.123 200 Y CA 0.790 58.981 58.100 0.152 0.000 1.227 200 Y CB 0.223 38.814 38.460 0.218 0.000 1.012 200 Y HN 0.035 nan 8.280 nan 0.000 0.552 201 L N -0.706 120.699 121.223 0.303 0.000 2.131 201 L HA -0.173 4.167 4.340 -0.000 0.000 0.206 201 L C 2.239 179.164 176.870 0.092 0.000 1.087 201 L CA 1.107 56.087 54.840 0.234 0.000 0.767 201 L CB -0.373 41.805 42.059 0.199 0.000 0.917 201 L HN 0.190 nan 8.230 nan 0.000 0.441 202 D N 0.317 120.744 120.400 0.045 0.000 2.182 202 D HA -0.218 4.422 4.640 -0.000 0.000 0.201 202 D C 1.384 177.664 176.300 -0.032 0.000 0.986 202 D CA 1.244 55.239 54.000 -0.008 0.000 0.847 202 D CB 0.143 40.931 40.800 -0.019 0.000 0.942 202 D HN 0.304 nan 8.370 nan 0.000 0.467 203 D N -0.016 120.359 120.400 -0.041 0.000 2.144 203 D HA -0.111 4.529 4.640 -0.000 0.000 0.199 203 D C 1.956 178.184 176.300 -0.121 0.000 0.984 203 D CA 0.466 54.417 54.000 -0.080 0.000 0.834 203 D CB -0.096 40.656 40.800 -0.080 0.000 0.955 203 D HN 0.160 nan 8.370 nan 0.000 0.465 204 V N 0.706 120.526 119.914 -0.157 0.000 3.608 204 V HA 0.019 4.138 4.120 -0.000 0.000 0.269 204 V C 2.230 178.268 176.094 -0.094 0.000 1.245 204 V CA 0.192 62.347 62.300 -0.242 0.000 1.138 204 V CB -0.069 31.404 31.823 -0.584 0.000 0.841 204 V HN 0.163 nan 8.190 nan 0.000 0.451 205 L N 0.781 121.989 121.223 -0.023 0.000 2.089 205 L HA -0.238 4.102 4.340 -0.000 0.000 0.213 205 L C 2.761 179.604 176.870 -0.045 0.000 1.079 205 L CA 2.046 56.899 54.840 0.021 0.000 0.758 205 L CB -0.732 41.324 42.059 -0.004 0.000 0.891 205 L HN 0.624 nan 8.230 nan 0.000 0.433 206 S N 0.204 115.846 115.700 -0.096 0.000 2.402 206 S HA -0.217 4.252 4.470 -0.000 0.000 0.233 206 S C 1.867 176.338 174.600 -0.215 0.000 1.030 206 S CA 1.205 59.330 58.200 -0.125 0.000 1.003 206 S CB -0.794 62.337 63.200 -0.115 0.000 0.813 206 S HN 0.457 nan 8.310 nan 0.000 0.477 207 L N 2.080 123.095 121.223 -0.346 0.000 2.265 207 L HA -0.057 4.283 4.340 -0.000 0.000 0.215 207 L C 2.858 179.176 176.870 -0.920 0.000 1.117 207 L CA 1.411 55.819 54.840 -0.719 0.000 0.782 207 L CB -1.386 40.051 42.059 -1.036 0.000 0.914 207 L HN 0.617 nan 8.230 nan 0.000 0.441 208 T N -3.752 110.563 114.554 -0.398 0.000 3.155 208 T HA -0.116 4.234 4.350 -0.000 0.000 0.264 208 T C 1.354 176.032 174.700 -0.037 0.000 1.160 208 T CA 0.630 62.722 62.100 -0.013 0.000 1.075 208 T CB -0.194 68.803 68.868 0.215 0.000 0.921 208 T HN 0.290 nan 8.240 nan 0.000 0.533 209 K N 0.030 120.351 120.400 -0.132 0.000 2.440 209 K HA 0.414 4.734 4.320 -0.000 0.000 0.206 209 K C 1.050 177.598 176.600 -0.087 0.000 1.025 209 K CA -0.152 56.086 56.287 -0.082 0.000 1.135 209 K CB 0.252 32.706 32.500 -0.078 0.000 0.856 209 K HN 0.361 nan 8.250 nan 0.000 0.502 210 L N -0.184 120.967 121.223 -0.120 0.000 2.357 210 L HA 0.076 4.416 4.340 -0.000 0.000 0.211 210 L C 0.783 177.659 176.870 0.010 0.000 1.075 210 L CA 0.168 54.960 54.840 -0.079 0.000 0.830 210 L CB 0.379 42.346 42.059 -0.154 0.000 0.996 210 L HN 0.038 nan 8.230 nan 0.000 0.467 211 S N -2.913 112.828 115.700 0.068 0.000 2.651 211 S HA 0.334 4.804 4.470 -0.000 0.000 0.279 211 S C -0.300 174.353 174.600 0.089 0.000 1.148 211 S CA -0.777 57.489 58.200 0.111 0.000 0.837 211 S CB 1.793 65.098 63.200 0.175 0.000 1.138 211 S HN -0.109 nan 8.310 nan 0.000 0.478 212 D N -0.411 120.036 120.400 0.077 0.000 2.277 212 D HA 0.198 4.837 4.640 -0.000 0.000 0.208 212 D C -0.632 175.485 176.300 -0.305 0.000 0.962 212 D CA 1.444 55.390 54.000 -0.090 0.000 0.865 212 D CB -0.104 40.654 40.800 -0.069 0.000 0.939 212 D HN 0.524 nan 8.370 nan 0.000 0.510 213 Y N -1.042 119.293 120.300 0.059 0.000 2.499 213 Y HA 0.483 5.033 4.550 -0.000 0.000 0.347 213 Y C -0.378 175.505 175.900 -0.027 0.000 0.987 213 Y CA -1.257 56.852 58.100 0.015 0.000 1.044 213 Y CB 2.206 40.668 38.460 0.002 0.000 1.245 213 Y HN -0.381 nan 8.280 nan 0.000 0.461 214 V N 3.455 123.364 119.914 -0.008 0.000 2.487 214 V HA 0.441 4.561 4.120 -0.000 0.000 0.298 214 V C -0.774 175.149 176.094 -0.286 0.000 1.028 214 V CA -1.013 61.089 62.300 -0.331 0.000 0.860 214 V CB 1.560 32.978 31.823 -0.676 0.000 0.991 214 V HN 0.790 nan 8.190 nan 0.000 0.427 215 K N 7.032 127.288 120.400 -0.240 0.000 2.187 215 K HA 0.354 4.673 4.320 -0.000 0.000 0.242 215 K C 0.006 176.457 176.600 -0.249 0.000 1.179 215 K CA -0.331 55.863 56.287 -0.155 0.000 1.097 215 K CB 0.149 32.633 32.500 -0.026 0.000 1.634 215 K HN 0.797 nan 8.250 nan 0.000 0.335 216 I N 2.206 122.592 120.570 -0.307 0.000 2.505 216 I HA 0.028 4.197 4.170 -0.000 0.000 0.287 216 I C -1.012 175.015 176.117 -0.151 0.000 1.104 216 I CA 0.406 61.533 61.300 -0.289 0.000 1.387 216 I CB 0.485 38.296 38.000 -0.315 0.000 1.404 216 I HN 0.350 nan 8.210 nan 0.000 0.528 217 S N 7.751 123.292 115.700 -0.265 0.000 2.526 217 S HA 0.814 5.284 4.470 -0.000 0.000 0.293 217 S C -0.756 173.556 174.600 -0.480 0.000 1.092 217 S CA -0.517 57.415 58.200 -0.447 0.000 0.980 217 S CB 1.675 64.435 63.200 -0.733 0.000 1.048 217 S HN 0.679 nan 8.310 nan 0.000 0.483 218 F N -0.890 118.817 119.950 -0.406 0.000 3.169 218 F HA 0.959 5.486 4.527 -0.000 0.000 0.325 218 F C -0.180 175.686 175.800 0.110 0.000 1.175 218 F CA -0.799 57.122 58.000 -0.132 0.000 0.887 218 F CB 0.780 39.775 39.000 -0.009 0.000 1.457 218 F HN 0.857 nan 8.300 nan 0.000 0.496 219 G N 0.053 109.093 108.800 0.401 0.000 2.506 219 G HA2 0.346 4.305 3.960 -0.000 0.000 0.292 219 G HA3 0.346 4.305 3.960 -0.000 0.000 0.292 219 G C -2.361 172.702 174.900 0.270 0.000 1.425 219 G CA -1.245 43.990 45.100 0.224 0.000 0.788 219 G HN 0.657 nan 8.290 nan 0.000 0.490 220 N N 0.645 119.432 118.700 0.145 0.000 2.475 220 N HA 0.265 5.004 4.740 -0.000 0.000 0.267 220 N C 0.510 176.066 175.510 0.077 0.000 1.169 220 N CA 0.336 53.445 53.050 0.099 0.000 0.947 220 N CB 1.088 39.607 38.487 0.054 0.000 1.061 220 N HN 0.655 nan 8.380 nan 0.000 0.466 221 Q N -0.899 118.936 119.800 0.059 0.000 2.450 221 Q HA -0.268 4.072 4.340 -0.000 0.000 0.255 221 Q C -0.810 175.241 176.000 0.084 0.000 1.003 221 Q CA 1.333 57.164 55.803 0.047 0.000 1.097 221 Q CB -1.213 27.539 28.738 0.023 0.000 1.544 221 Q HN 0.559 nan 8.270 nan 0.000 0.531 222 K N 0.029 120.523 120.400 0.157 0.000 2.259 222 K HA 0.529 4.848 4.320 -0.000 0.000 0.249 222 K C -2.549 174.262 176.600 0.352 0.000 0.942 222 K CA -2.433 53.982 56.287 0.213 0.000 0.816 222 K CB 1.764 34.400 32.500 0.227 0.000 1.155 222 K HN -0.222 nan 8.250 nan 0.000 0.428 223 P HA -0.010 nan 4.420 nan 0.000 0.271 223 P C -0.970 176.451 177.300 0.202 0.000 1.233 223 P CA -0.576 62.710 63.100 0.311 0.000 0.789 223 P CB 0.421 32.231 31.700 0.183 0.000 0.951 224 L N 1.442 122.487 121.223 -0.296 0.000 2.312 224 L HA 0.364 4.704 4.340 -0.000 0.000 0.281 224 L C -0.337 176.306 176.870 -0.378 0.000 1.070 224 L CA 0.188 54.686 54.840 -0.571 0.000 0.805 224 L CB 0.440 41.727 42.059 -1.287 0.000 1.174 224 L HN 0.276 nan 8.230 nan 0.000 0.434 225 Q N 5.321 124.875 119.800 -0.410 0.000 2.320 225 Q HA 0.418 4.758 4.340 -0.000 0.000 0.268 225 Q C -1.858 173.981 176.000 -0.268 0.000 1.023 225 Q CA -0.568 55.047 55.803 -0.313 0.000 0.744 225 Q CB 1.344 29.849 28.738 -0.388 0.000 1.246 225 Q HN 0.730 nan 8.270 nan 0.000 0.462 226 L N 4.437 125.566 121.223 -0.156 0.000 2.257 226 L HA 0.469 4.809 4.340 -0.000 0.000 0.290 226 L C -0.529 176.199 176.870 -0.237 0.000 1.044 226 L CA -0.531 54.130 54.840 -0.298 0.000 0.810 226 L CB 0.469 42.394 42.059 -0.223 0.000 1.193 226 L HN 0.514 nan 8.230 nan 0.000 0.425 227 F N 3.965 123.615 119.950 -0.500 0.000 2.402 227 F HA 0.489 5.016 4.527 -0.000 0.000 0.355 227 F C -0.731 174.802 175.800 -0.445 0.000 1.123 227 F CA -0.523 57.293 58.000 -0.306 0.000 1.021 227 F CB 0.852 39.742 39.000 -0.182 0.000 1.160 227 F HN 0.165 nan 8.300 nan 0.000 0.451 228 F N 5.476 125.190 119.950 -0.394 0.000 2.293 228 F HA 0.317 4.843 4.527 -0.000 0.000 0.370 228 F C 0.306 175.909 175.800 -0.329 0.000 1.090 228 F CA -0.670 57.182 58.000 -0.247 0.000 1.133 228 F CB 0.369 39.264 39.000 -0.175 0.000 1.360 228 F HN 0.442 nan 8.300 nan 0.000 0.489 232 G N 0.169 108.990 108.800 0.034 0.000 2.454 232 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.225 232 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.225 232 G C 0.786 175.699 174.900 0.022 0.000 1.138 232 G CA 0.455 45.571 45.100 0.027 0.000 0.667 232 G HN 1.586 nan 8.290 nan 0.000 0.512 233 G N -0.572 108.242 108.800 0.024 0.000 2.456 233 G HA2 0.441 4.401 3.960 -0.000 0.000 0.208 233 G HA3 0.441 4.401 3.960 -0.000 0.000 0.208 233 G C 0.840 175.751 174.900 0.018 0.000 1.004 233 G CA 0.866 45.983 45.100 0.028 0.000 0.791 233 G HN 1.937 nan 8.290 nan 0.000 0.537 234 G N 0.922 109.722 108.800 0.001 0.000 2.367 234 G HA2 0.461 4.421 3.960 -0.000 0.000 0.280 234 G HA3 0.461 4.421 3.960 -0.000 0.000 0.280 234 G C 0.005 174.872 174.900 -0.055 0.000 1.175 234 G CA -0.005 45.081 45.100 -0.024 0.000 1.001 234 G HN 0.325 nan 8.290 nan 0.000 0.437 235 K N 2.086 122.440 120.400 -0.076 0.000 2.263 235 K HA 0.435 4.755 4.320 -0.000 0.000 0.272 235 K C -0.740 175.745 176.600 -0.192 0.000 1.033 235 K CA -0.538 55.622 56.287 -0.211 0.000 0.884 235 K CB 2.341 34.781 32.500 -0.099 0.000 1.107 235 K HN 0.249 nan 8.250 nan 0.000 0.460 236 V N 2.989 122.755 119.914 -0.245 0.000 2.444 236 V HA 0.335 4.454 4.120 -0.000 0.000 0.294 236 V C -0.365 175.699 176.094 -0.050 0.000 1.022 236 V CA -0.724 61.526 62.300 -0.084 0.000 0.850 236 V CB 1.794 33.599 31.823 -0.031 0.000 0.992 236 V HN 0.770 nan 8.190 nan 0.000 0.426 237 T N 4.197 118.776 114.554 0.041 0.000 2.885 237 T HA 0.637 4.987 4.350 -0.000 0.000 0.285 237 T C -1.410 173.449 174.700 0.266 0.000 1.019 237 T CA -0.502 61.681 62.100 0.138 0.000 1.010 237 T CB 1.807 70.787 68.868 0.186 0.000 1.022 237 T HN 0.528 nan 8.240 nan 0.000 0.466 238 Y N 2.678 123.044 120.300 0.110 0.000 2.373 238 Y HA 0.596 5.146 4.550 -0.000 0.000 0.336 238 Y C -1.584 174.347 175.900 0.051 0.000 0.979 238 Y CA -1.793 56.365 58.100 0.096 0.000 1.080 238 Y CB 1.199 39.744 38.460 0.143 0.000 1.190 238 Y HN 0.497 nan 8.280 nan 0.000 0.446 239 L N 8.893 129.871 121.223 -0.408 0.000 2.353 239 L HA 0.468 4.808 4.340 -0.000 0.000 0.270 239 L C -1.956 174.581 176.870 -0.555 0.000 1.003 239 L CA -0.778 53.861 54.840 -0.336 0.000 0.862 239 L CB 0.895 42.907 42.059 -0.080 0.000 1.221 239 L HN 0.728 nan 8.230 nan 0.000 0.430 240 L N 4.750 125.614 121.223 -0.599 0.000 2.296 240 L HA 0.714 5.054 4.340 -0.000 0.000 0.286 240 L C 0.174 176.941 176.870 -0.171 0.000 1.023 240 L CA -0.072 54.481 54.840 -0.478 0.000 0.812 240 L CB 1.636 43.433 42.059 -0.437 0.000 1.223 240 L HN 0.663 nan 8.230 nan 0.000 0.421 241 A N 7.089 129.858 122.820 -0.085 0.000 2.351 241 A HA 0.656 4.975 4.320 -0.000 0.000 0.257 241 A C -2.356 175.349 177.584 0.202 0.000 1.087 241 A CA -1.165 50.908 52.037 0.059 0.000 0.798 241 A CB -0.634 18.361 19.000 -0.009 0.000 1.033 241 A HN 0.672 nan 8.150 nan 0.000 0.488 242 P HA 0.238 nan 4.420 nan 0.000 0.268 242 P C -0.578 176.714 177.300 -0.013 0.000 1.208 242 P CA 0.093 63.201 63.100 0.013 0.000 0.777 242 P CB 0.652 32.336 31.700 -0.028 0.000 0.875 243 K N 0.000 120.356 120.400 -0.073 0.000 2.780 243 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 243 K CA 0.000 56.273 56.287 -0.023 0.000 0.838 243 K CB 0.000 32.514 32.500 0.023 0.000 1.064 243 K HN 0.000 nan 8.250 nan 0.000 0.543