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 1vhv_1_A DATA FIRST_RESID 0 DATA SEQUENCE SLLTFVGLGL WDVKDISVKG LEAVREADEV YVEYYTSKLL SSIEEXEEFF DATA SEQUENCE GKRVVELERS DLEENSFRLI ERAKSKSVVL LVPGDPXVAT THSAIKLEAE DATA SEQUENCE RKGVKTRIIH GASISTAVCG LTGLHNYRFG KSATVSWHRS QTPVNVIKAN DATA SEQUENCE RSIDAHTLLF LDLHPEPXTI GHAVENLIAE DAQXKDLYAV GIARAGSGEE DATA SEQUENCE VVKCDRLENL KKIDFGKPLH VXVVLAKTLH FXEFECLREF ADAPAELERL DATA SEQUENCE V 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.591 174.600 -0.014 0.000 1.055 0 S CA 0.000 58.194 58.200 -0.010 0.000 1.107 0 S CB 0.000 63.192 63.200 -0.013 0.000 0.593 1 L N 2.157 123.365 121.223 -0.026 0.000 2.611 1 L HA 0.746 5.087 4.340 0.001 0.000 0.260 1 L C -2.245 174.585 176.870 -0.067 0.000 0.924 1 L CA -0.410 54.410 54.840 -0.034 0.000 0.901 1 L CB 1.881 43.921 42.059 -0.032 0.000 1.369 1 L HN 0.475 nan 8.230 nan 0.000 0.415 2 L N 4.102 125.274 121.223 -0.085 0.000 2.345 2 L HA 0.747 5.087 4.340 0.001 0.000 0.274 2 L C -0.874 175.857 176.870 -0.232 0.000 0.999 2 L CA 0.329 55.054 54.840 -0.191 0.000 0.849 2 L CB 1.601 43.528 42.059 -0.220 0.000 1.220 2 L HN 0.681 nan 8.230 nan 0.000 0.422 3 T N 5.565 119.961 114.554 -0.264 0.000 2.779 3 T HA 0.521 4.871 4.350 0.001 0.000 0.280 3 T C -0.510 174.010 174.700 -0.300 0.000 0.987 3 T CA 0.033 62.023 62.100 -0.182 0.000 0.966 3 T CB 0.307 69.118 68.868 -0.095 0.000 0.933 3 T HN 0.223 nan 8.240 nan 0.000 0.442 4 F N 2.268 122.186 119.950 -0.053 0.000 2.411 4 F HA 0.528 5.056 4.527 0.000 0.000 0.350 4 F C 0.196 175.964 175.800 -0.053 0.000 1.114 4 F CA -0.907 57.062 58.000 -0.051 0.000 1.135 4 F CB 0.934 39.911 39.000 -0.039 0.000 1.120 4 F HN 0.157 nan 8.300 nan 0.000 0.495 5 V N 2.929 122.906 119.914 0.105 0.000 2.483 5 V HA 0.567 4.687 4.120 0.001 0.000 0.297 5 V C 0.356 176.514 176.094 0.106 0.000 1.027 5 V CA -1.052 61.289 62.300 0.068 0.000 0.855 5 V CB 1.539 33.371 31.823 0.016 0.000 0.995 5 V HN 0.915 nan 8.190 nan 0.000 0.424 6 G N 3.253 112.118 108.800 0.107 0.000 2.406 6 G HA2 0.435 4.395 3.960 0.001 0.000 0.251 6 G HA3 0.435 4.395 3.960 0.001 0.000 0.251 6 G C 0.541 175.523 174.900 0.137 0.000 1.271 6 G CA -0.328 44.850 45.100 0.130 0.000 0.859 6 G HN 0.744 nan 8.290 nan 0.000 0.540 7 L N 1.883 123.194 121.223 0.148 0.000 2.477 7 L HA 0.292 4.632 4.340 0.001 0.000 0.220 7 L C 1.722 178.661 176.870 0.115 0.000 1.106 7 L CA 0.894 55.825 54.840 0.152 0.000 0.851 7 L CB -0.578 41.583 42.059 0.171 0.000 0.994 7 L HN 0.992 nan 8.230 nan 0.000 0.462 8 G N -0.247 108.618 108.800 0.109 0.000 2.587 8 G HA2 -0.246 3.714 3.960 0.001 0.000 0.212 8 G HA3 -0.246 3.714 3.960 0.001 0.000 0.212 8 G C 0.122 175.080 174.900 0.096 0.000 1.327 8 G CA -0.216 44.941 45.100 0.095 0.000 0.898 8 G HN -0.012 nan 8.290 nan 0.000 0.551 9 L N -1.467 119.823 121.223 0.113 0.000 2.357 9 L HA 0.302 4.643 4.340 0.001 0.000 0.211 9 L C 2.181 179.197 176.870 0.244 0.000 1.075 9 L CA 1.060 55.990 54.840 0.150 0.000 0.830 9 L CB 0.132 42.274 42.059 0.139 0.000 0.996 9 L HN 0.670 nan 8.230 nan 0.000 0.467 10 W N 0.734 122.018 121.300 -0.027 0.000 4.359 10 W HA 0.043 4.703 4.660 0.001 0.000 0.200 10 W C -0.416 176.076 176.519 -0.046 0.000 1.068 10 W CA 0.282 57.605 57.345 -0.037 0.000 1.787 10 W CB 0.877 30.316 29.460 -0.035 0.000 0.717 10 W HN 0.157 nan 8.180 nan 0.000 0.930 11 D N -0.930 119.455 120.400 -0.025 0.000 2.732 11 D HA 0.240 4.880 4.640 0.001 0.000 0.292 11 D C 0.923 177.098 176.300 -0.210 0.000 1.135 11 D CA 0.011 53.889 54.000 -0.202 0.000 1.071 11 D CB 0.914 41.630 40.800 -0.140 0.000 1.457 11 D HN -0.141 nan 8.370 nan 0.000 0.547 12 V N -1.605 118.092 119.914 -0.362 0.000 2.469 12 V HA -0.170 3.950 4.120 0.001 0.000 0.251 12 V C 1.350 176.924 176.094 -0.867 0.000 1.064 12 V CA 1.324 63.216 62.300 -0.680 0.000 1.066 12 V CB -1.002 30.218 31.823 -1.006 0.000 0.667 12 V HN 0.513 nan 8.190 nan 0.000 0.461 13 K N 0.350 120.416 120.400 -0.557 0.000 2.505 13 K HA 0.053 4.374 4.320 0.001 0.000 0.192 13 K C 1.048 177.595 176.600 -0.088 0.000 1.025 13 K CA 0.638 56.744 56.287 -0.302 0.000 1.086 13 K CB -0.089 32.334 32.500 -0.128 0.000 0.840 13 K HN 0.491 nan 8.250 nan 0.000 0.514 14 D N 1.031 121.392 120.400 -0.065 0.000 2.347 14 D HA -0.011 4.629 4.640 0.001 0.000 0.213 14 D C 0.682 177.018 176.300 0.061 0.000 0.985 14 D CA 0.260 54.275 54.000 0.025 0.000 0.879 14 D CB 0.219 41.053 40.800 0.056 0.000 0.919 14 D HN 0.238 nan 8.370 nan 0.000 0.526 15 I N 1.685 122.299 120.570 0.073 0.000 2.754 15 I HA -0.072 4.099 4.170 0.001 0.000 0.285 15 I C 0.782 176.988 176.117 0.149 0.000 1.166 15 I CA -0.183 61.206 61.300 0.148 0.000 1.417 15 I CB 0.644 38.797 38.000 0.256 0.000 1.382 15 I HN -0.062 nan 8.210 nan 0.000 0.588 16 S N 5.263 121.045 115.700 0.136 0.000 2.589 16 S HA 0.076 4.546 4.470 0.001 0.000 0.265 16 S C 1.038 175.720 174.600 0.137 0.000 1.342 16 S CA -0.800 57.472 58.200 0.120 0.000 1.005 16 S CB 1.516 64.778 63.200 0.103 0.000 0.909 16 S HN 0.524 nan 8.310 nan 0.000 0.555 17 V N 1.834 121.816 119.914 0.113 0.000 2.427 17 V HA -0.140 3.981 4.120 0.001 0.000 0.248 17 V C 2.701 178.847 176.094 0.087 0.000 1.051 17 V CA 2.213 64.576 62.300 0.105 0.000 1.048 17 V CB -1.014 30.856 31.823 0.080 0.000 0.666 17 V HN 1.017 nan 8.190 nan 0.000 0.456 18 K N 0.316 120.761 120.400 0.076 0.000 2.057 18 K HA -0.138 4.183 4.320 0.001 0.000 0.207 18 K C 2.167 178.801 176.600 0.057 0.000 1.049 18 K CA 1.603 57.924 56.287 0.058 0.000 0.931 18 K CB -0.561 31.974 32.500 0.057 0.000 0.714 18 K HN 0.482 nan 8.250 nan 0.000 0.440 19 G N 1.561 110.408 108.800 0.079 0.000 2.418 19 G HA2 -0.252 3.708 3.960 0.001 0.000 0.217 19 G HA3 -0.252 3.708 3.960 0.001 0.000 0.217 19 G C 1.392 176.341 174.900 0.081 0.000 1.158 19 G CA 0.801 45.946 45.100 0.076 0.000 0.771 19 G HN 0.309 nan 8.290 nan 0.000 0.545 20 L N 0.647 121.961 121.223 0.152 0.000 2.046 20 L HA 0.045 4.386 4.340 0.001 0.000 0.208 20 L C 2.575 179.482 176.870 0.062 0.000 1.077 20 L CA 2.016 56.966 54.840 0.184 0.000 0.747 20 L CB -0.606 41.594 42.059 0.234 0.000 0.896 20 L HN 0.346 nan 8.230 nan 0.000 0.432 21 E N -0.559 119.665 120.200 0.041 0.000 2.153 21 E HA -0.189 4.161 4.350 0.001 0.000 0.194 21 E C 2.145 178.733 176.600 -0.020 0.000 0.988 21 E CA 0.990 57.395 56.400 0.007 0.000 0.811 21 E CB -0.231 29.477 29.700 0.013 0.000 0.746 21 E HN 0.667 nan 8.360 nan 0.000 0.466 22 A N 0.829 123.635 122.820 -0.024 0.000 1.898 22 A HA -0.122 4.198 4.320 0.001 0.000 0.216 22 A C 2.465 179.988 177.584 -0.100 0.000 1.181 22 A CA 0.978 52.984 52.037 -0.051 0.000 0.620 22 A CB -0.527 18.447 19.000 -0.043 0.000 0.819 22 A HN 0.107 nan 8.150 nan 0.000 0.442 23 V N 0.048 119.873 119.914 -0.148 0.000 2.358 23 V HA -0.248 3.873 4.120 0.001 0.000 0.246 23 V C 2.623 178.602 176.094 -0.191 0.000 1.047 23 V CA 2.187 64.323 62.300 -0.274 0.000 1.035 23 V CB -0.781 30.698 31.823 -0.574 0.000 0.658 23 V HN 0.522 nan 8.190 nan 0.000 0.452 24 R N -0.148 120.287 120.500 -0.109 0.000 2.115 24 R HA -0.133 4.208 4.340 0.001 0.000 0.230 24 R C 2.083 178.343 176.300 -0.067 0.000 1.111 24 R CA 1.393 57.451 56.100 -0.070 0.000 0.976 24 R CB -0.179 30.098 30.300 -0.039 0.000 0.870 24 R HN 0.611 nan 8.270 nan 0.000 0.445 25 E N 0.309 120.470 120.200 -0.064 0.000 2.435 25 E HA 0.082 4.432 4.350 0.001 0.000 0.195 25 E C 0.093 176.655 176.600 -0.064 0.000 1.029 25 E CA -0.095 56.273 56.400 -0.054 0.000 0.865 25 E CB 0.403 30.079 29.700 -0.041 0.000 0.833 25 E HN 0.244 nan 8.360 nan 0.000 0.510 26 A N 1.228 123.995 122.820 -0.088 0.000 2.351 26 A HA 0.040 4.361 4.320 0.001 0.000 0.257 26 A C 0.469 177.998 177.584 -0.092 0.000 1.087 26 A CA -0.361 51.619 52.037 -0.095 0.000 0.798 26 A CB 0.453 19.375 19.000 -0.130 0.000 1.033 26 A HN -0.039 nan 8.150 nan 0.000 0.488 27 D N 0.304 120.656 120.400 -0.079 0.000 2.183 27 D HA 0.034 4.675 4.640 0.001 0.000 0.205 27 D C 0.071 176.308 176.300 -0.105 0.000 0.962 27 D CA 1.286 55.242 54.000 -0.074 0.000 0.849 27 D CB 0.322 41.092 40.800 -0.050 0.000 0.978 27 D HN 0.737 nan 8.370 nan 0.000 0.488 28 E N -0.049 120.076 120.200 -0.126 0.000 2.292 28 E HA 0.474 4.824 4.350 0.001 0.000 0.272 28 E C -1.245 175.159 176.600 -0.327 0.000 0.881 28 E CA -0.555 55.708 56.400 -0.229 0.000 0.754 28 E CB 3.410 33.033 29.700 -0.127 0.000 1.201 28 E HN -0.269 nan 8.360 nan 0.000 0.425 29 V N 3.339 122.945 119.914 -0.512 0.000 2.483 29 V HA 0.425 4.545 4.120 0.001 0.000 0.297 29 V C -1.269 174.463 176.094 -0.603 0.000 1.027 29 V CA -0.787 61.251 62.300 -0.437 0.000 0.855 29 V CB 0.563 32.187 31.823 -0.333 0.000 0.995 29 V HN 0.583 nan 8.190 nan 0.000 0.424 30 Y N 2.865 123.087 120.300 -0.130 0.000 2.524 30 Y HA 0.819 5.369 4.550 0.001 0.000 0.344 30 Y C -0.023 175.824 175.900 -0.089 0.000 1.012 30 Y CA -1.006 57.030 58.100 -0.106 0.000 1.068 30 Y CB 2.269 40.658 38.460 -0.117 0.000 1.249 30 Y HN 0.441 nan 8.280 nan 0.000 0.468 31 V N 1.807 121.772 119.914 0.086 0.000 3.007 31 V HA 0.718 4.838 4.120 0.001 0.000 0.311 31 V C -1.820 174.308 176.094 0.056 0.000 1.120 31 V CA -0.641 61.687 62.300 0.046 0.000 0.980 31 V CB 2.286 34.090 31.823 -0.031 0.000 1.033 31 V HN 0.895 nan 8.190 nan 0.000 0.429 32 E N 4.003 124.282 120.200 0.132 0.000 2.293 32 E HA 0.491 4.842 4.350 0.001 0.000 0.270 32 E C -1.631 175.219 176.600 0.416 0.000 0.879 32 E CA -0.530 55.999 56.400 0.215 0.000 0.756 32 E CB 1.610 31.466 29.700 0.260 0.000 1.208 32 E HN 0.457 nan 8.360 nan 0.000 0.428 33 Y N 1.934 122.344 120.300 0.183 0.000 2.720 33 Y HA 0.206 4.757 4.550 0.001 0.000 0.268 33 Y C -0.003 176.047 175.900 0.250 0.000 1.142 33 Y CA -1.100 57.100 58.100 0.167 0.000 1.193 33 Y CB -0.133 38.398 38.460 0.119 0.000 1.176 33 Y HN 0.827 nan 8.280 nan 0.000 0.542 34 Y N 0.203 120.684 120.300 0.302 0.000 2.436 34 Y HA -0.035 4.516 4.550 0.001 0.000 0.288 34 Y C 2.195 178.272 175.900 0.294 0.000 1.112 34 Y CA 1.679 59.956 58.100 0.296 0.000 1.220 34 Y CB 0.042 38.600 38.460 0.164 0.000 1.073 34 Y HN 0.090 nan 8.280 nan 0.000 0.552 35 T N -2.866 111.683 114.554 -0.007 0.000 3.054 35 T HA 0.291 4.641 4.350 0.001 0.000 0.259 35 T C 0.812 175.421 174.700 -0.151 0.000 1.092 35 T CA 0.624 62.608 62.100 -0.194 0.000 1.121 35 T CB -0.078 68.727 68.868 -0.105 0.000 0.912 35 T HN 0.181 nan 8.240 nan 0.000 0.489 36 S N -0.057 115.598 115.700 -0.075 0.000 2.671 36 S HA 0.545 5.015 4.470 0.001 0.000 0.270 36 S C -2.275 172.213 174.600 -0.187 0.000 1.166 36 S CA -0.916 57.217 58.200 -0.112 0.000 0.868 36 S CB 1.212 64.370 63.200 -0.069 0.000 1.190 36 S HN 0.814 nan 8.310 nan 0.000 0.494 37 K N 0.749 120.972 120.400 -0.295 0.000 2.597 37 K HA 0.647 4.967 4.320 0.001 0.000 0.282 37 K C -1.611 174.700 176.600 -0.481 0.000 0.975 37 K CA -1.049 54.827 56.287 -0.686 0.000 0.867 37 K CB 0.622 32.650 32.500 -0.788 0.000 1.465 37 K HN 0.474 nan 8.250 nan 0.000 0.417 38 L N 1.604 122.472 121.223 -0.593 0.000 2.335 38 L HA 0.351 4.691 4.340 0.001 0.000 0.268 38 L C 1.178 177.770 176.870 -0.464 0.000 1.016 38 L CA -1.069 53.551 54.840 -0.367 0.000 0.805 38 L CB 1.047 42.987 42.059 -0.198 0.000 1.311 38 L HN 0.729 nan 8.230 nan 0.000 0.456 39 L N 0.769 121.550 121.223 -0.737 0.000 2.056 39 L HA -0.059 4.281 4.340 0.001 0.000 0.207 39 L C 1.430 178.074 176.870 -0.377 0.000 1.078 39 L CA 1.077 55.458 54.840 -0.765 0.000 0.749 39 L CB -0.181 41.039 42.059 -1.397 0.000 0.901 39 L HN 0.728 nan 8.230 nan 0.000 0.433 40 S N -0.148 115.371 115.700 -0.302 0.000 2.563 40 S HA 0.256 4.727 4.470 0.001 0.000 0.284 40 S C 0.473 175.089 174.600 0.027 0.000 1.331 40 S CA -0.177 57.943 58.200 -0.132 0.000 1.047 40 S CB 0.102 63.221 63.200 -0.135 0.000 0.859 40 S HN 0.561 nan 8.310 nan 0.000 0.514 41 S N 2.069 117.775 115.700 0.011 0.000 2.681 41 S HA 0.385 4.855 4.470 0.001 0.000 0.270 41 S C 1.065 175.663 174.600 -0.003 0.000 1.209 41 S CA -0.846 57.383 58.200 0.049 0.000 0.988 41 S CB 0.313 63.521 63.200 0.014 0.000 1.006 41 S HN 0.750 nan 8.310 nan 0.000 0.558 42 I N 0.702 121.239 120.570 -0.055 0.000 2.163 42 I HA -0.204 3.966 4.170 0.001 0.000 0.243 42 I C 2.240 178.335 176.117 -0.036 0.000 1.085 42 I CA 1.851 63.095 61.300 -0.094 0.000 1.347 42 I CB -0.317 37.613 38.000 -0.118 0.000 1.044 42 I HN 0.773 nan 8.210 nan 0.000 0.408 43 E N 0.937 121.123 120.200 -0.024 0.000 2.118 43 E HA -0.173 4.178 4.350 0.001 0.000 0.195 43 E C 0.883 177.475 176.600 -0.015 0.000 0.992 43 E CA 0.875 57.266 56.400 -0.014 0.000 0.804 43 E CB -0.151 29.542 29.700 -0.011 0.000 0.741 43 E HN 0.599 nan 8.360 nan 0.000 0.458 47 E N 0.836 121.045 120.200 0.015 0.000 2.077 47 E HA -0.133 4.217 4.350 0.001 0.000 0.193 47 E C 1.606 178.213 176.600 0.011 0.000 0.989 47 E CA 1.276 57.683 56.400 0.012 0.000 0.800 47 E CB -0.045 29.661 29.700 0.011 0.000 0.746 47 E HN 0.093 nan 8.360 nan 0.000 0.452 48 F N -0.012 119.809 119.950 -0.215 0.000 2.259 48 F HA -0.093 4.435 4.527 0.000 0.000 0.298 48 F C 1.400 177.061 175.800 -0.231 0.000 1.088 48 F CA 1.022 58.844 58.000 -0.295 0.000 1.358 48 F CB 0.126 38.799 39.000 -0.545 0.000 1.040 48 F HN -0.078 nan 8.300 nan 0.000 0.505 49 F N 0.350 120.317 119.950 0.028 0.000 2.754 49 F HA 0.318 4.845 4.527 0.000 0.000 0.297 49 F C 2.072 177.817 175.800 -0.092 0.000 1.122 49 F CA 0.336 58.293 58.000 -0.071 0.000 1.400 49 F CB -0.961 38.046 39.000 0.011 0.000 1.117 49 F HN 0.026 nan 8.300 nan 0.000 0.587 50 G N 1.489 110.333 108.800 0.073 0.000 2.225 50 G HA2 -0.319 3.642 3.960 0.001 0.000 0.267 50 G HA3 -0.319 3.642 3.960 0.001 0.000 0.267 50 G C 0.115 175.033 174.900 0.030 0.000 1.024 50 G CA 0.780 45.894 45.100 0.022 0.000 0.784 50 G HN 0.591 nan 8.290 nan 0.000 0.507 51 K N -2.806 117.631 120.400 0.061 0.000 2.579 51 K HA 0.737 5.057 4.320 0.001 0.000 0.284 51 K C -0.315 176.296 176.600 0.019 0.000 0.990 51 K CA -0.893 55.404 56.287 0.018 0.000 0.880 51 K CB 1.121 33.613 32.500 -0.012 0.000 1.488 51 K HN 0.546 nan 8.250 nan 0.000 0.425 52 R N 0.817 121.302 120.500 -0.026 0.000 2.590 52 R HA 0.318 4.659 4.340 0.001 0.000 0.274 52 R C -1.019 175.236 176.300 -0.075 0.000 1.061 52 R CA -0.150 55.924 56.100 -0.043 0.000 1.081 52 R CB 0.344 30.606 30.300 -0.064 0.000 0.984 52 R HN 0.426 nan 8.270 nan 0.000 0.448 53 V N 5.073 124.950 119.914 -0.061 0.000 2.483 53 V HA 0.403 4.523 4.120 0.001 0.000 0.297 53 V C -0.377 175.651 176.094 -0.110 0.000 1.027 53 V CA -0.744 61.499 62.300 -0.095 0.000 0.855 53 V CB 2.279 34.109 31.823 0.012 0.000 0.995 53 V HN 0.785 nan 8.190 nan 0.000 0.424 54 V N 4.286 124.091 119.914 -0.180 0.000 2.407 54 V HA 0.321 4.441 4.120 0.001 0.000 0.278 54 V C 0.378 176.494 176.094 0.036 0.000 1.037 54 V CA -0.503 61.757 62.300 -0.066 0.000 0.900 54 V CB 1.506 33.295 31.823 -0.056 0.000 0.983 54 V HN 0.936 nan 8.190 nan 0.000 0.459 55 E N 4.558 124.762 120.200 0.007 0.000 2.316 55 E HA 0.391 4.741 4.350 0.001 0.000 0.275 55 E C -1.090 175.533 176.600 0.038 0.000 1.029 55 E CA -0.361 56.039 56.400 -0.000 0.000 0.871 55 E CB 0.730 30.401 29.700 -0.048 0.000 1.022 55 E HN 0.558 nan 8.360 nan 0.000 0.418 56 L N 3.881 125.129 121.223 0.042 0.000 2.331 56 L HA 0.407 4.747 4.340 0.001 0.000 0.275 56 L C 0.350 177.225 176.870 0.008 0.000 1.022 56 L CA -0.925 53.921 54.840 0.009 0.000 0.812 56 L CB 1.456 43.498 42.059 -0.028 0.000 1.257 56 L HN 0.533 nan 8.230 nan 0.000 0.435 57 E N 1.174 121.350 120.200 -0.040 0.000 2.254 57 E HA 0.258 4.608 4.350 0.001 0.000 0.258 57 E C 0.464 176.963 176.600 -0.169 0.000 1.033 57 E CA -0.733 55.625 56.400 -0.071 0.000 0.893 57 E CB 1.488 31.143 29.700 -0.075 0.000 1.204 57 E HN 0.446 nan 8.360 nan 0.000 0.425 58 R N 0.895 121.184 120.500 -0.352 0.000 2.112 58 R HA -0.222 4.118 4.340 0.001 0.000 0.242 58 R C 2.039 178.151 176.300 -0.313 0.000 1.137 58 R CA 2.612 58.346 56.100 -0.609 0.000 0.944 58 R CB -0.429 29.290 30.300 -0.968 0.000 0.857 58 R HN 0.592 nan 8.270 nan 0.000 0.435 59 S N 0.444 116.012 115.700 -0.219 0.000 2.400 59 S HA -0.154 4.316 4.470 0.001 0.000 0.232 59 S C 1.393 175.911 174.600 -0.136 0.000 1.025 59 S CA 1.617 59.731 58.200 -0.143 0.000 0.993 59 S CB -0.306 62.829 63.200 -0.109 0.000 0.808 59 S HN 0.401 nan 8.310 nan 0.000 0.478 60 D N 1.615 121.926 120.400 -0.148 0.000 2.224 60 D HA 0.057 4.697 4.640 0.001 0.000 0.205 60 D C 1.809 178.023 176.300 -0.143 0.000 0.965 60 D CA 0.894 54.793 54.000 -0.169 0.000 0.852 60 D CB -0.135 40.563 40.800 -0.170 0.000 0.947 60 D HN 0.458 nan 8.370 nan 0.000 0.494 61 L N 0.193 121.360 121.223 -0.093 0.000 2.416 61 L HA 0.076 4.416 4.340 0.001 0.000 0.216 61 L C 1.824 178.709 176.870 0.026 0.000 1.098 61 L CA 0.475 55.312 54.840 -0.004 0.000 0.840 61 L CB 0.163 42.291 42.059 0.114 0.000 0.981 61 L HN -0.108 nan 8.230 nan 0.000 0.462 62 E N -0.103 120.082 120.200 -0.024 0.000 3.018 62 E HA -0.037 4.313 4.350 0.001 0.000 0.293 62 E C 1.564 178.174 176.600 0.017 0.000 0.886 62 E CA 0.136 56.539 56.400 0.005 0.000 1.132 62 E CB -0.143 29.546 29.700 -0.020 0.000 2.610 62 E HN 0.182 nan 8.360 nan 0.000 0.572 63 E N 1.416 121.623 120.200 0.012 0.000 2.160 63 E HA -0.187 4.164 4.350 0.001 0.000 0.195 63 E C 0.793 177.465 176.600 0.120 0.000 0.991 63 E CA 1.136 57.576 56.400 0.066 0.000 0.810 63 E CB -0.292 29.440 29.700 0.053 0.000 0.742 63 E HN 0.110 nan 8.360 nan 0.000 0.466 64 N N 1.216 119.904 118.700 -0.021 0.000 2.279 64 N HA 0.026 4.766 4.740 0.001 0.000 0.226 64 N C 1.055 176.305 175.510 -0.433 0.000 1.126 64 N CA 0.644 53.531 53.050 -0.272 0.000 0.846 64 N CB 0.622 38.928 38.487 -0.301 0.000 1.050 64 N HN 0.287 nan 8.380 nan 0.000 0.502 65 S N 0.177 115.790 115.700 -0.145 0.000 2.442 65 S HA -0.173 4.298 4.470 0.001 0.000 0.236 65 S C 1.799 176.324 174.600 -0.125 0.000 1.007 65 S CA 0.415 58.542 58.200 -0.122 0.000 0.965 65 S CB -0.878 62.327 63.200 0.009 0.000 0.773 65 S HN 0.477 nan 8.310 nan 0.000 0.504 66 F N 1.900 121.829 119.950 -0.036 0.000 2.250 66 F HA 0.121 4.649 4.527 0.001 0.000 0.301 66 F C 2.299 178.067 175.800 -0.054 0.000 1.077 66 F CA 0.374 58.353 58.000 -0.035 0.000 1.348 66 F CB -0.518 38.467 39.000 -0.025 0.000 1.040 66 F HN 0.003 nan 8.300 nan 0.000 0.509 67 R N 1.068 121.141 120.500 -0.711 0.000 2.066 67 R HA -0.073 4.267 4.340 0.001 0.000 0.232 67 R C 2.276 178.412 176.300 -0.274 0.000 1.131 67 R CA 1.361 57.189 56.100 -0.453 0.000 0.955 67 R CB -1.378 28.593 30.300 -0.549 0.000 0.851 67 R HN 0.423 nan 8.270 nan 0.000 0.432 68 L N 1.228 122.260 121.223 -0.318 0.000 2.042 68 L HA -0.090 4.250 4.340 0.001 0.000 0.210 68 L C 2.180 178.932 176.870 -0.196 0.000 1.076 68 L CA 1.524 56.167 54.840 -0.328 0.000 0.749 68 L CB -0.375 41.462 42.059 -0.371 0.000 0.893 68 L HN 0.075 nan 8.230 nan 0.000 0.432 69 I N -0.687 119.812 120.570 -0.118 0.000 2.286 69 I HA -0.248 3.922 4.170 0.001 0.000 0.248 69 I C 2.439 178.542 176.117 -0.024 0.000 1.115 69 I CA 1.232 62.505 61.300 -0.045 0.000 1.392 69 I CB -0.274 37.735 38.000 0.016 0.000 1.065 69 I HN 0.322 nan 8.210 nan 0.000 0.418 70 E N 1.229 121.423 120.200 -0.011 0.000 2.110 70 E HA -0.194 4.156 4.350 0.001 0.000 0.193 70 E C 2.295 178.886 176.600 -0.014 0.000 0.988 70 E CA 1.275 57.681 56.400 0.010 0.000 0.804 70 E CB 0.027 29.753 29.700 0.042 0.000 0.745 70 E HN 0.214 nan 8.360 nan 0.000 0.458 71 R N -0.023 120.451 120.500 -0.043 0.000 2.083 71 R HA -0.069 4.271 4.340 0.001 0.000 0.237 71 R C 2.248 178.536 176.300 -0.020 0.000 1.137 71 R CA 1.326 57.411 56.100 -0.026 0.000 0.951 71 R CB -0.903 29.383 30.300 -0.024 0.000 0.851 71 R HN 0.251 nan 8.270 nan 0.000 0.434 72 A N 1.466 124.262 122.820 -0.040 0.000 2.216 72 A HA -0.114 4.207 4.320 0.001 0.000 0.214 72 A C 1.840 179.411 177.584 -0.021 0.000 1.160 72 A CA 1.030 53.045 52.037 -0.038 0.000 0.725 72 A CB -0.250 18.710 19.000 -0.066 0.000 0.784 72 A HN 0.251 nan 8.150 nan 0.000 0.472 73 K N -0.045 120.348 120.400 -0.011 0.000 2.288 73 K HA -0.049 4.271 4.320 0.001 0.000 0.201 73 K C 1.526 178.124 176.600 -0.004 0.000 1.048 73 K CA 1.315 57.600 56.287 -0.003 0.000 0.956 73 K CB 0.034 32.537 32.500 0.004 0.000 0.746 73 K HN 0.615 nan 8.250 nan 0.000 0.461 74 S N -1.352 114.344 115.700 -0.005 0.000 2.733 74 S HA 0.174 4.644 4.470 0.001 0.000 0.247 74 S C -0.103 174.492 174.600 -0.008 0.000 1.043 74 S CA -0.674 57.523 58.200 -0.005 0.000 1.066 74 S CB 0.678 63.877 63.200 -0.002 0.000 1.045 74 S HN -0.158 nan 8.310 nan 0.000 0.586 75 K N 0.552 120.945 120.400 -0.011 0.000 2.509 75 K HA 0.654 4.974 4.320 0.001 0.000 0.266 75 K C -0.946 175.640 176.600 -0.023 0.000 0.987 75 K CA -0.512 55.766 56.287 -0.015 0.000 0.868 75 K CB 1.607 34.102 32.500 -0.008 0.000 1.421 75 K HN 0.172 nan 8.250 nan 0.000 0.444 76 S N 1.165 116.847 115.700 -0.030 0.000 2.399 76 S HA 0.451 4.921 4.470 0.001 0.000 0.301 76 S C -0.548 174.022 174.600 -0.050 0.000 1.093 76 S CA -0.488 57.686 58.200 -0.042 0.000 1.077 76 S CB -0.276 62.897 63.200 -0.044 0.000 0.980 76 S HN 0.392 nan 8.310 nan 0.000 0.494 77 V N 5.908 125.789 119.914 -0.055 0.000 2.513 77 V HA 0.576 4.697 4.120 0.001 0.000 0.299 77 V C -0.246 175.786 176.094 -0.102 0.000 1.035 77 V CA -0.697 61.578 62.300 -0.042 0.000 0.889 77 V CB 1.911 33.724 31.823 -0.016 0.000 0.988 77 V HN 0.647 nan 8.190 nan 0.000 0.440 78 V N 5.305 125.165 119.914 -0.090 0.000 2.540 78 V HA 0.496 4.617 4.120 0.001 0.000 0.302 78 V C -0.677 175.360 176.094 -0.095 0.000 1.035 78 V CA -0.609 61.606 62.300 -0.140 0.000 0.873 78 V CB 1.799 33.524 31.823 -0.164 0.000 0.992 78 V HN 0.667 nan 8.190 nan 0.000 0.428 79 L N 6.484 127.599 121.223 -0.179 0.000 2.294 79 L HA 0.601 4.942 4.340 0.001 0.000 0.283 79 L C -0.711 176.133 176.870 -0.043 0.000 1.015 79 L CA 0.113 54.883 54.840 -0.116 0.000 0.831 79 L CB 1.110 43.021 42.059 -0.246 0.000 1.217 79 L HN 0.540 nan 8.230 nan 0.000 0.420 80 L N 5.740 126.967 121.223 0.007 0.000 2.326 80 L HA 0.607 4.948 4.340 0.001 0.000 0.278 80 L C -0.662 176.289 176.870 0.134 0.000 1.092 80 L CA -0.521 54.358 54.840 0.065 0.000 0.810 80 L CB 1.500 43.603 42.059 0.074 0.000 1.153 80 L HN 0.382 nan 8.230 nan 0.000 0.439 81 V N 3.877 123.897 119.914 0.177 0.000 2.686 81 V HA 0.332 4.452 4.120 0.001 0.000 0.306 81 V C -2.340 173.878 176.094 0.207 0.000 1.065 81 V CA -1.925 60.514 62.300 0.231 0.000 0.894 81 V CB 2.018 34.012 31.823 0.286 0.000 1.004 81 V HN 0.574 nan 8.190 nan 0.000 0.424 82 P HA 0.228 nan 4.420 nan 0.000 0.262 82 P C 0.850 178.214 177.300 0.107 0.000 1.182 82 P CA 2.015 65.195 63.100 0.133 0.000 0.761 82 P CB 0.428 32.164 31.700 0.060 0.000 0.795 83 G N 3.172 112.031 108.800 0.098 0.000 2.523 83 G HA2 -0.249 3.711 3.960 0.001 0.000 0.271 83 G HA3 -0.249 3.711 3.960 0.001 0.000 0.271 83 G C -0.545 174.419 174.900 0.107 0.000 1.146 83 G CA 0.428 45.584 45.100 0.093 0.000 0.961 83 G HN 0.676 nan 8.290 nan 0.000 0.549 84 D N 1.972 122.433 120.400 0.102 0.000 2.198 84 D HA 0.679 5.320 4.640 0.001 0.000 0.247 84 D C -1.671 174.703 176.300 0.122 0.000 1.010 84 D CA -1.313 52.759 54.000 0.119 0.000 0.880 84 D CB 1.927 42.799 40.800 0.120 0.000 1.209 84 D HN 0.329 nan 8.370 nan 0.000 0.451 88 A N 0.835 123.555 122.820 -0.167 0.000 2.250 88 A HA 0.596 4.916 4.320 0.001 0.000 0.283 88 A C 1.331 178.798 177.584 -0.195 0.000 1.206 88 A CA 0.825 52.718 52.037 -0.240 0.000 0.840 88 A CB 0.421 19.227 19.000 -0.324 0.000 1.220 88 A HN 0.631 nan 8.150 nan 0.000 0.505 89 T N -4.391 110.057 114.554 -0.176 0.000 3.001 89 T HA 0.054 4.404 4.350 0.001 0.000 0.251 89 T C 1.390 176.024 174.700 -0.110 0.000 1.040 89 T CA 0.984 63.016 62.100 -0.113 0.000 0.985 89 T CB -0.435 68.392 68.868 -0.070 0.000 1.011 89 T HN 0.509 nan 8.240 nan 0.000 0.509 90 T N 2.150 116.588 114.554 -0.194 0.000 2.624 90 T HA -0.203 4.147 4.350 0.001 0.000 0.268 90 T C 1.649 176.361 174.700 0.021 0.000 1.041 90 T CA 2.020 64.038 62.100 -0.136 0.000 1.159 90 T CB -0.545 68.143 68.868 -0.300 0.000 0.863 90 T HN 0.523 nan 8.240 nan 0.000 0.434 91 H N 1.284 120.350 119.070 -0.007 0.000 2.462 91 H HA 0.083 4.639 4.556 0.001 0.000 0.292 91 H C 2.708 177.908 175.328 -0.214 0.000 1.049 91 H CA 1.186 57.188 56.048 -0.077 0.000 1.334 91 H CB -0.866 28.851 29.762 -0.075 0.000 1.404 91 H HN 0.517 nan 8.280 nan 0.000 0.544 92 S N 0.616 116.274 115.700 -0.071 0.000 2.382 92 S HA -0.101 4.369 4.470 0.001 0.000 0.228 92 S C 2.441 177.019 174.600 -0.038 0.000 1.027 92 S CA 0.824 58.962 58.200 -0.104 0.000 0.991 92 S CB -0.470 62.690 63.200 -0.068 0.000 0.823 92 S HN 0.439 nan 8.310 nan 0.000 0.469 93 A N 1.982 124.810 122.820 0.014 0.000 1.972 93 A HA 0.066 4.386 4.320 0.001 0.000 0.219 93 A C 2.192 179.821 177.584 0.075 0.000 1.169 93 A CA 1.446 53.510 52.037 0.045 0.000 0.635 93 A CB -0.811 18.223 19.000 0.056 0.000 0.810 93 A HN 0.611 nan 8.150 nan 0.000 0.446 94 I N -0.627 120.013 120.570 0.116 0.000 2.252 94 I HA -0.243 3.927 4.170 0.001 0.000 0.245 94 I C 2.510 178.753 176.117 0.210 0.000 1.102 94 I CA 1.810 63.222 61.300 0.186 0.000 1.385 94 I CB -0.279 37.907 38.000 0.310 0.000 1.064 94 I HN 0.393 nan 8.210 nan 0.000 0.414 95 K N 1.280 121.751 120.400 0.117 0.000 2.057 95 K HA -0.234 4.087 4.320 0.001 0.000 0.207 95 K C 2.249 178.896 176.600 0.078 0.000 1.049 95 K CA 1.474 57.820 56.287 0.099 0.000 0.931 95 K CB -0.148 32.260 32.500 -0.154 0.000 0.714 95 K HN 0.119 nan 8.250 nan 0.000 0.440 96 L N 1.924 123.173 121.223 0.043 0.000 2.017 96 L HA -0.164 4.176 4.340 0.001 0.000 0.208 96 L C 2.273 179.175 176.870 0.053 0.000 1.073 96 L CA 2.011 56.875 54.840 0.039 0.000 0.745 96 L CB -0.631 41.444 42.059 0.027 0.000 0.894 96 L HN 0.343 nan 8.230 nan 0.000 0.432 97 E N -0.623 119.618 120.200 0.067 0.000 2.077 97 E HA -0.240 4.111 4.350 0.001 0.000 0.193 97 E C 2.058 178.701 176.600 0.071 0.000 0.989 97 E CA 1.168 57.609 56.400 0.069 0.000 0.800 97 E CB -0.177 29.573 29.700 0.082 0.000 0.746 97 E HN 0.630 nan 8.360 nan 0.000 0.452 98 A N 1.337 124.211 122.820 0.090 0.000 1.877 98 A HA -0.219 4.101 4.320 0.001 0.000 0.216 98 A C 1.953 179.576 177.584 0.065 0.000 1.186 98 A CA 1.666 53.752 52.037 0.081 0.000 0.620 98 A CB -0.533 18.531 19.000 0.107 0.000 0.822 98 A HN 0.327 nan 8.150 nan 0.000 0.443 99 E N -0.517 119.724 120.200 0.068 0.000 2.110 99 E HA -0.187 4.163 4.350 0.001 0.000 0.193 99 E C 2.279 178.902 176.600 0.038 0.000 0.988 99 E CA 1.028 57.459 56.400 0.051 0.000 0.804 99 E CB -0.186 29.543 29.700 0.049 0.000 0.745 99 E HN 0.545 nan 8.360 nan 0.000 0.458 100 R N 0.951 121.474 120.500 0.037 0.000 2.092 100 R HA -0.063 4.277 4.340 0.001 0.000 0.231 100 R C 1.868 178.184 176.300 0.026 0.000 1.119 100 R CA 0.987 57.104 56.100 0.028 0.000 0.970 100 R CB -0.012 30.304 30.300 0.027 0.000 0.864 100 R HN -0.003 nan 8.270 nan 0.000 0.440 101 K N -0.401 120.018 120.400 0.031 0.000 2.487 101 K HA 0.087 4.407 4.320 0.001 0.000 0.192 101 K C 0.627 177.241 176.600 0.023 0.000 1.027 101 K CA 0.538 56.841 56.287 0.026 0.000 1.054 101 K CB 0.687 33.207 32.500 0.033 0.000 0.824 101 K HN 0.375 nan 8.250 nan 0.000 0.510 102 G N 1.222 110.037 108.800 0.024 0.000 2.147 102 G HA2 -0.227 3.734 3.960 0.001 0.000 0.244 102 G HA3 -0.227 3.734 3.960 0.001 0.000 0.244 102 G C 0.010 174.922 174.900 0.021 0.000 1.005 102 G CA -0.089 45.023 45.100 0.021 0.000 0.713 102 G HN 0.132 nan 8.290 nan 0.000 0.515 103 V N 0.768 120.698 119.914 0.026 0.000 2.432 103 V HA 0.524 4.644 4.120 0.001 0.000 0.275 103 V C 0.989 177.101 176.094 0.030 0.000 1.043 103 V CA -0.336 61.977 62.300 0.022 0.000 0.925 103 V CB 1.471 33.305 31.823 0.018 0.000 0.985 103 V HN 0.404 nan 8.190 nan 0.000 0.466 104 K N 3.509 123.923 120.400 0.023 0.000 2.401 104 K HA 0.385 4.705 4.320 0.001 0.000 0.278 104 K C 0.266 176.890 176.600 0.040 0.000 1.018 104 K CA 0.172 56.476 56.287 0.029 0.000 0.981 104 K CB 0.823 33.334 32.500 0.018 0.000 0.933 104 K HN 1.132 nan 8.250 nan 0.000 0.477 105 T N 0.865 115.460 114.554 0.068 0.000 2.926 105 T HA 0.660 5.011 4.350 0.001 0.000 0.289 105 T C -0.382 174.379 174.700 0.101 0.000 1.054 105 T CA -1.009 61.158 62.100 0.111 0.000 1.015 105 T CB 1.553 70.559 68.868 0.231 0.000 1.167 105 T HN 0.689 nan 8.240 nan 0.000 0.526 106 R N 0.568 121.146 120.500 0.130 0.000 2.643 106 R HA 0.647 4.988 4.340 0.001 0.000 0.269 106 R C -1.960 174.416 176.300 0.126 0.000 1.037 106 R CA -0.848 55.305 56.100 0.088 0.000 0.894 106 R CB 1.696 32.019 30.300 0.038 0.000 1.238 106 R HN 0.791 nan 8.270 nan 0.000 0.459 107 I N 4.546 125.131 120.570 0.024 0.000 2.465 107 I HA 0.399 4.569 4.170 0.001 0.000 0.291 107 I C -0.357 175.600 176.117 -0.267 0.000 1.014 107 I CA -0.796 60.452 61.300 -0.087 0.000 1.093 107 I CB 2.167 40.031 38.000 -0.225 0.000 1.267 107 I HN 0.464 nan 8.210 nan 0.000 0.431 108 I N 5.851 126.309 120.570 -0.186 0.000 2.359 108 I HA 0.262 4.432 4.170 0.001 0.000 0.284 108 I C 0.024 176.060 176.117 -0.135 0.000 1.018 108 I CA -0.586 60.636 61.300 -0.130 0.000 1.173 108 I CB 0.372 38.363 38.000 -0.014 0.000 1.326 108 I HN 0.481 nan 8.210 nan 0.000 0.462 109 H N 4.351 123.465 119.070 0.075 0.000 2.690 109 H HA 0.380 4.936 4.556 0.001 0.000 0.365 109 H C 0.407 175.778 175.328 0.071 0.000 1.142 109 H CA -0.048 56.042 56.048 0.069 0.000 1.417 109 H CB 1.297 31.090 29.762 0.051 0.000 1.446 109 H HN 0.715 nan 8.280 nan 0.000 0.599 110 G N -0.606 108.308 108.800 0.190 0.000 2.816 110 G HA2 0.520 4.481 3.960 0.001 0.000 0.288 110 G HA3 0.520 4.481 3.960 0.001 0.000 0.288 110 G C -0.872 174.096 174.900 0.113 0.000 1.334 110 G CA -0.405 44.778 45.100 0.137 0.000 0.978 110 G HN 0.762 nan 8.290 nan 0.000 0.493 111 A N -0.259 122.614 122.820 0.089 0.000 2.425 111 A HA 0.619 4.939 4.320 0.001 0.000 0.249 111 A C 0.557 178.181 177.584 0.067 0.000 1.084 111 A CA 0.371 52.447 52.037 0.065 0.000 0.781 111 A CB 0.614 19.646 19.000 0.055 0.000 1.019 111 A HN 1.230 nan 8.150 nan 0.000 0.490 112 S N 1.117 116.847 115.700 0.050 0.000 2.566 112 S HA 0.436 4.906 4.470 0.001 0.000 0.298 112 S C 1.106 175.732 174.600 0.042 0.000 1.083 112 S CA -0.692 57.543 58.200 0.059 0.000 0.978 112 S CB 0.971 64.207 63.200 0.059 0.000 1.073 112 S HN 0.731 nan 8.310 nan 0.000 0.491 113 I N 3.628 124.242 120.570 0.074 0.000 2.286 113 I HA -0.111 4.059 4.170 0.001 0.000 0.248 113 I C 2.162 178.257 176.117 -0.038 0.000 1.115 113 I CA 2.296 63.619 61.300 0.038 0.000 1.392 113 I CB -1.026 37.032 38.000 0.096 0.000 1.065 113 I HN 0.880 nan 8.210 nan 0.000 0.418 114 S N -1.405 114.304 115.700 0.014 0.000 2.462 114 S HA -0.205 4.266 4.470 0.001 0.000 0.243 114 S C 1.819 176.309 174.600 -0.185 0.000 1.003 114 S CA 1.932 60.091 58.200 -0.068 0.000 0.970 114 S CB -0.717 62.517 63.200 0.056 0.000 0.762 114 S HN 0.582 nan 8.310 nan 0.000 0.510 115 T N -0.274 114.206 114.554 -0.124 0.000 2.964 115 T HA 0.514 4.864 4.350 0.001 0.000 0.249 115 T C 1.778 176.410 174.700 -0.114 0.000 1.000 115 T CA 0.418 62.442 62.100 -0.126 0.000 0.992 115 T CB -0.354 68.478 68.868 -0.060 0.000 1.087 115 T HN 0.466 nan 8.240 nan 0.000 0.489 116 A N 1.442 124.208 122.820 -0.090 0.000 2.019 116 A HA 0.016 4.336 4.320 0.001 0.000 0.219 116 A C 2.356 179.877 177.584 -0.104 0.000 1.164 116 A CA 1.856 53.845 52.037 -0.081 0.000 0.644 116 A CB -0.962 18.003 19.000 -0.058 0.000 0.805 116 A HN 0.612 nan 8.150 nan 0.000 0.449 117 V N -2.704 117.123 119.914 -0.144 0.000 2.490 117 V HA -0.268 3.852 4.120 0.001 0.000 0.250 117 V C 2.270 178.308 176.094 -0.094 0.000 1.061 117 V CA 1.766 63.986 62.300 -0.134 0.000 1.064 117 V CB -1.974 29.741 31.823 -0.180 0.000 0.670 117 V HN 0.549 nan 8.190 nan 0.000 0.461 118 C N 1.846 121.076 119.300 -0.118 0.000 2.432 118 C HA 0.043 4.503 4.460 0.001 0.000 0.277 118 C C 3.142 178.129 174.990 -0.004 0.000 1.249 118 C CA 1.094 60.098 59.018 -0.023 0.000 1.725 118 C CB -1.874 25.849 27.740 -0.028 0.000 2.028 118 C HN 0.697 nan 8.230 nan 0.000 0.477 119 G N 0.132 108.903 108.800 -0.048 0.000 2.442 119 G HA2 -0.179 3.781 3.960 0.001 0.000 0.219 119 G HA3 -0.179 3.781 3.960 0.001 0.000 0.219 119 G C 1.488 176.307 174.900 -0.135 0.000 1.141 119 G CA 0.627 45.679 45.100 -0.079 0.000 0.763 119 G HN 0.563 nan 8.290 nan 0.000 0.554 120 L N 0.757 121.915 121.223 -0.110 0.000 2.492 120 L HA 0.100 4.441 4.340 0.001 0.000 0.223 120 L C 2.770 179.624 176.870 -0.027 0.000 1.132 120 L CA 1.388 56.152 54.840 -0.128 0.000 0.850 120 L CB 0.117 42.118 42.059 -0.097 0.000 0.966 120 L HN 0.443 nan 8.230 nan 0.000 0.454 121 T N -6.177 108.414 114.554 0.061 0.000 2.964 121 T HA 0.261 4.611 4.350 0.001 0.000 0.249 121 T C 1.486 176.335 174.700 0.249 0.000 1.000 121 T CA 0.555 62.743 62.100 0.146 0.000 0.992 121 T CB 0.946 69.840 68.868 0.044 0.000 1.087 121 T HN 0.245 nan 8.240 nan 0.000 0.489 122 G N 1.737 110.681 108.800 0.241 0.000 2.179 122 G HA2 -0.208 3.752 3.960 0.001 0.000 0.260 122 G HA3 -0.208 3.752 3.960 0.001 0.000 0.260 122 G C -0.020 174.935 174.900 0.092 0.000 0.977 122 G CA 0.177 45.413 45.100 0.227 0.000 0.641 122 G HN 0.656 nan 8.290 nan 0.000 0.533 123 L N 1.457 122.712 121.223 0.053 0.000 2.456 123 L HA 0.343 4.683 4.340 0.001 0.000 0.272 123 L C 0.898 177.900 176.870 0.220 0.000 1.189 123 L CA -0.901 53.939 54.840 0.000 0.000 0.846 123 L CB 0.345 42.358 42.059 -0.076 0.000 1.111 123 L HN 0.121 nan 8.230 nan 0.000 0.475 124 H N 2.890 122.007 119.070 0.077 0.000 2.767 124 H HA 0.003 4.559 4.556 0.001 0.000 0.316 124 H C 0.864 176.266 175.328 0.124 0.000 1.059 124 H CA -0.065 55.990 56.048 0.011 0.000 1.461 124 H CB 0.488 30.084 29.762 -0.277 0.000 1.475 124 H HN 0.536 nan 8.280 nan 0.000 0.531 125 N N 3.107 121.974 118.700 0.279 0.000 2.166 125 N HA -0.205 4.536 4.740 0.001 0.000 0.186 125 N C 1.466 177.156 175.510 0.299 0.000 1.019 125 N CA 1.111 54.318 53.050 0.263 0.000 0.856 125 N CB 0.038 38.597 38.487 0.121 0.000 0.993 125 N HN 0.702 nan 8.380 nan 0.000 0.426 126 Y N 0.239 120.671 120.300 0.221 0.000 2.574 126 Y HA 0.101 4.652 4.550 0.001 0.000 0.294 126 Y C 1.716 177.719 175.900 0.171 0.000 1.142 126 Y CA 0.550 58.747 58.100 0.162 0.000 1.314 126 Y CB -0.379 38.135 38.460 0.090 0.000 0.991 126 Y HN -0.071 nan 8.280 nan 0.000 0.555 127 R N -0.536 119.786 120.500 -0.296 0.000 2.317 127 R HA 0.128 4.468 4.340 0.001 0.000 0.208 127 R C -0.596 175.605 176.300 -0.165 0.000 0.914 127 R CA -0.274 55.643 56.100 -0.305 0.000 1.060 127 R CB -0.058 29.910 30.300 -0.553 0.000 1.015 127 R HN 0.183 nan 8.270 nan 0.000 0.498 128 F N 0.653 120.606 119.950 0.006 0.000 2.471 128 F HA 0.212 4.739 4.527 0.000 0.000 0.353 128 F C 1.537 177.352 175.800 0.026 0.000 1.113 128 F CA 0.165 58.199 58.000 0.057 0.000 1.262 128 F CB 0.779 39.820 39.000 0.068 0.000 1.146 128 F HN -0.041 nan 8.300 nan 0.000 0.578 129 G N 2.451 111.328 108.800 0.129 0.000 2.736 129 G HA2 0.349 4.310 3.960 0.001 0.000 0.229 129 G HA3 0.349 4.310 3.960 0.001 0.000 0.229 129 G C -0.807 174.172 174.900 0.133 0.000 1.380 129 G CA -0.953 44.201 45.100 0.090 0.000 1.040 129 G HN 0.481 nan 8.290 nan 0.000 0.568 130 K N 0.137 120.593 120.400 0.092 0.000 2.414 130 K HA 0.303 4.623 4.320 0.001 0.000 0.272 130 K C 0.058 176.730 176.600 0.120 0.000 0.993 130 K CA 0.161 56.506 56.287 0.096 0.000 0.964 130 K CB 0.739 33.279 32.500 0.066 0.000 0.925 130 K HN 0.276 nan 8.250 nan 0.000 0.487 131 S N 0.359 116.145 115.700 0.144 0.000 2.713 131 S HA 0.718 5.188 4.470 0.001 0.000 0.283 131 S C -0.561 174.131 174.600 0.154 0.000 1.161 131 S CA -0.896 57.411 58.200 0.179 0.000 0.999 131 S CB 1.673 65.063 63.200 0.318 0.000 1.039 131 S HN 0.713 nan 8.310 nan 0.000 0.548 132 A N 0.548 123.470 122.820 0.170 0.000 2.594 132 A HA 0.761 5.081 4.320 0.001 0.000 0.291 132 A C -0.946 176.738 177.584 0.167 0.000 1.105 132 A CA -0.714 51.397 52.037 0.124 0.000 0.694 132 A CB 1.352 20.388 19.000 0.059 0.000 1.291 132 A HN 0.572 nan 8.150 nan 0.000 0.410 133 T N 1.063 115.675 114.554 0.096 0.000 2.807 133 T HA 0.504 4.854 4.350 0.001 0.000 0.279 133 T C -0.570 174.117 174.700 -0.021 0.000 0.993 133 T CA -0.293 61.852 62.100 0.074 0.000 0.970 133 T CB 1.246 70.133 68.868 0.032 0.000 0.950 133 T HN 0.577 nan 8.240 nan 0.000 0.441 134 V N 4.603 124.478 119.914 -0.064 0.000 2.372 134 V HA 0.301 4.421 4.120 0.001 0.000 0.261 134 V C 0.778 176.752 176.094 -0.201 0.000 1.055 134 V CA -0.585 61.638 62.300 -0.130 0.000 0.930 134 V CB 0.088 31.823 31.823 -0.146 0.000 1.031 134 V HN 1.055 nan 8.190 nan 0.000 0.479 135 S N 2.928 118.497 115.700 -0.219 0.000 2.646 135 S HA 0.354 4.824 4.470 0.001 0.000 0.276 135 S C 0.490 174.982 174.600 -0.180 0.000 1.222 135 S CA -0.701 57.355 58.200 -0.240 0.000 1.014 135 S CB 0.899 63.861 63.200 -0.397 0.000 0.991 135 S HN 0.646 nan 8.310 nan 0.000 0.533 136 W N 1.256 122.517 121.300 -0.066 0.000 2.363 136 W HA -0.028 4.632 4.660 0.001 0.000 0.296 136 W C 1.292 177.820 176.519 0.015 0.000 1.212 136 W CA 1.259 58.594 57.345 -0.017 0.000 1.260 136 W CB -0.370 29.103 29.460 0.022 0.000 1.131 136 W HN 0.875 nan 8.180 nan 0.000 0.530 137 H N -1.694 117.524 119.070 0.246 0.000 2.551 137 H HA 0.651 5.207 4.556 0.001 0.000 0.358 137 H C 0.695 176.085 175.328 0.103 0.000 1.151 137 H CA -0.849 55.288 56.048 0.148 0.000 1.374 137 H CB 0.290 30.118 29.762 0.110 0.000 1.473 137 H HN -0.045 nan 8.280 nan 0.000 0.574 138 R N 1.563 122.152 120.500 0.147 0.000 2.585 138 R HA 0.363 4.703 4.340 0.001 0.000 0.275 138 R C 0.130 176.467 176.300 0.062 0.000 1.018 138 R CA 0.347 56.492 56.100 0.075 0.000 1.072 138 R CB -0.665 29.692 30.300 0.095 0.000 0.953 138 R HN 0.961 nan 8.270 nan 0.000 0.419 139 S N 0.172 115.873 115.700 0.002 0.000 2.537 139 S HA 0.502 4.972 4.470 0.001 0.000 0.271 139 S C 0.659 175.261 174.600 0.003 0.000 1.148 139 S CA 0.434 58.639 58.200 0.009 0.000 0.868 139 S CB 1.620 64.793 63.200 -0.045 0.000 1.115 139 S HN 1.251 nan 8.310 nan 0.000 0.461 140 Q N 1.494 121.304 119.800 0.017 0.000 2.425 140 Q HA 0.136 4.476 4.340 0.001 0.000 0.204 140 Q C 1.562 177.566 176.000 0.007 0.000 0.933 140 Q CA 1.562 57.372 55.803 0.012 0.000 0.939 140 Q CB -1.095 27.653 28.738 0.018 0.000 1.044 140 Q HN 0.862 nan 8.270 nan 0.000 0.513 141 T N 1.753 116.311 114.554 0.006 0.000 2.622 141 T HA -0.123 4.227 4.350 0.001 0.000 0.266 141 T C -0.510 174.192 174.700 0.003 0.000 1.047 141 T CA 1.646 63.751 62.100 0.007 0.000 1.159 141 T CB -0.933 67.941 68.868 0.011 0.000 0.863 141 T HN 0.504 nan 8.240 nan 0.000 0.422 142 P HA -0.043 nan 4.420 nan 0.000 0.214 142 P C 1.724 179.021 177.300 -0.005 0.000 1.163 142 P CA 0.694 63.789 63.100 -0.008 0.000 0.889 142 P CB -0.315 31.370 31.700 -0.026 0.000 0.790 143 V N 0.194 120.103 119.914 -0.008 0.000 2.332 143 V HA -0.246 3.874 4.120 0.001 0.000 0.248 143 V C 2.164 178.258 176.094 -0.001 0.000 1.055 143 V CA 2.052 64.348 62.300 -0.006 0.000 1.038 143 V CB -1.319 30.501 31.823 -0.006 0.000 0.651 143 V HN 0.122 nan 8.190 nan 0.000 0.450 144 N N 0.060 118.763 118.700 0.003 0.000 2.223 144 N HA -0.117 4.624 4.740 0.001 0.000 0.185 144 N C 1.716 177.231 175.510 0.009 0.000 1.016 144 N CA 1.241 54.295 53.050 0.007 0.000 0.863 144 N CB -0.410 38.084 38.487 0.010 0.000 0.983 144 N HN 0.370 nan 8.380 nan 0.000 0.429 145 V N 1.407 121.328 119.914 0.012 0.000 2.379 145 V HA -0.117 4.004 4.120 0.001 0.000 0.245 145 V C 2.251 178.352 176.094 0.012 0.000 1.044 145 V CA 0.950 63.261 62.300 0.017 0.000 1.036 145 V CB -0.310 31.530 31.823 0.027 0.000 0.664 145 V HN 0.198 nan 8.190 nan 0.000 0.453 146 I N -0.273 120.301 120.570 0.006 0.000 2.163 146 I HA -0.303 3.867 4.170 0.001 0.000 0.243 146 I C 2.569 178.683 176.117 -0.004 0.000 1.085 146 I CA 1.801 63.101 61.300 -0.001 0.000 1.347 146 I CB -0.372 37.625 38.000 -0.006 0.000 1.044 146 I HN 0.260 nan 8.210 nan 0.000 0.408 147 K N 0.615 121.014 120.400 -0.003 0.000 2.057 147 K HA -0.143 4.177 4.320 0.001 0.000 0.207 147 K C 2.236 178.833 176.600 -0.004 0.000 1.049 147 K CA 1.500 57.785 56.287 -0.004 0.000 0.931 147 K CB -0.271 32.228 32.500 -0.002 0.000 0.714 147 K HN 0.324 nan 8.250 nan 0.000 0.440 148 A N 1.818 124.639 122.820 0.001 0.000 1.933 148 A HA -0.175 4.145 4.320 0.001 0.000 0.218 148 A C 1.789 179.371 177.584 -0.003 0.000 1.175 148 A CA 1.532 53.570 52.037 0.002 0.000 0.628 148 A CB -0.415 18.590 19.000 0.008 0.000 0.814 148 A HN 0.220 nan 8.150 nan 0.000 0.444 149 N N -0.092 118.605 118.700 -0.006 0.000 2.142 149 N HA -0.107 4.633 4.740 0.001 0.000 0.186 149 N C 1.788 177.275 175.510 -0.039 0.000 1.023 149 N CA 1.246 54.285 53.050 -0.019 0.000 0.852 149 N CB -0.410 38.065 38.487 -0.020 0.000 0.998 149 N HN 0.514 nan 8.380 nan 0.000 0.424 150 R N 0.570 121.051 120.500 -0.032 0.000 2.152 150 R HA -0.031 4.309 4.340 0.001 0.000 0.232 150 R C 2.248 178.531 176.300 -0.029 0.000 1.117 150 R CA 1.219 57.297 56.100 -0.036 0.000 0.981 150 R CB -0.232 30.055 30.300 -0.022 0.000 0.870 150 R HN 0.310 nan 8.270 nan 0.000 0.451 151 S N 1.261 116.950 115.700 -0.019 0.000 2.419 151 S HA -0.111 4.359 4.470 0.001 0.000 0.233 151 S C 1.780 176.370 174.600 -0.016 0.000 1.016 151 S CA 1.087 59.279 58.200 -0.014 0.000 0.974 151 S CB -0.361 62.834 63.200 -0.007 0.000 0.786 151 S HN 0.533 nan 8.310 nan 0.000 0.492 152 I N -2.179 118.378 120.570 -0.022 0.000 3.941 152 I HA 0.412 4.582 4.170 0.001 0.000 0.335 152 I C -0.062 176.030 176.117 -0.042 0.000 1.402 152 I CA -0.036 61.251 61.300 -0.022 0.000 1.112 152 I CB -0.244 37.750 38.000 -0.010 0.000 1.043 152 I HN -0.004 nan 8.210 nan 0.000 0.395 153 D N 2.253 122.616 120.400 -0.061 0.000 2.760 153 D HA -0.162 4.478 4.640 0.001 0.000 0.244 153 D C -0.188 176.003 176.300 -0.183 0.000 1.123 153 D CA 0.964 54.905 54.000 -0.097 0.000 0.719 153 D CB -0.739 40.019 40.800 -0.070 0.000 1.045 153 D HN 0.743 nan 8.370 nan 0.000 0.426 154 A N 1.376 124.075 122.820 -0.203 0.000 2.413 154 A HA 0.694 5.014 4.320 0.001 0.000 0.307 154 A C -0.167 177.211 177.584 -0.344 0.000 1.087 154 A CA -0.714 51.138 52.037 -0.309 0.000 0.750 154 A CB 1.209 20.122 19.000 -0.145 0.000 1.296 154 A HN 0.320 nan 8.150 nan 0.000 0.423 155 H N 0.310 119.163 119.070 -0.362 0.000 2.603 155 H HA 0.466 5.022 4.556 0.001 0.000 0.370 155 H C -0.281 174.844 175.328 -0.338 0.000 1.225 155 H CA 0.347 56.082 56.048 -0.522 0.000 1.410 155 H CB 0.870 29.883 29.762 -1.249 0.000 1.495 155 H HN 0.530 nan 8.280 nan 0.000 0.602 156 T N 2.814 117.329 114.554 -0.066 0.000 2.840 156 T HA 0.212 4.563 4.350 0.001 0.000 0.287 156 T C -0.109 174.661 174.700 0.116 0.000 0.991 156 T CA -0.687 61.441 62.100 0.046 0.000 0.964 156 T CB 1.156 70.036 68.868 0.020 0.000 0.954 156 T HN 0.188 nan 8.240 nan 0.000 0.438 157 L N 4.857 126.208 121.223 0.214 0.000 2.290 157 L HA 0.563 4.904 4.340 0.001 0.000 0.284 157 L C -1.107 175.698 176.870 -0.109 0.000 1.078 157 L CA -0.263 54.610 54.840 0.054 0.000 0.815 157 L CB 0.217 42.236 42.059 -0.065 0.000 1.162 157 L HN 0.595 nan 8.230 nan 0.000 0.435 158 L N 6.030 127.131 121.223 -0.204 0.000 2.319 158 L HA 0.437 4.777 4.340 0.001 0.000 0.281 158 L C -0.824 175.869 176.870 -0.295 0.000 1.005 158 L CA -0.438 54.302 54.840 -0.166 0.000 0.828 158 L CB 1.143 43.142 42.059 -0.100 0.000 1.227 158 L HN 0.456 nan 8.230 nan 0.000 0.415 159 F N 3.424 123.337 119.950 -0.061 0.000 2.375 159 F HA 0.485 5.012 4.527 0.000 0.000 0.333 159 F C 0.339 176.065 175.800 -0.123 0.000 1.104 159 F CA -0.300 57.649 58.000 -0.085 0.000 1.149 159 F CB 1.044 39.996 39.000 -0.081 0.000 1.190 159 F HN 0.176 nan 8.300 nan 0.000 0.533 160 L N 1.498 122.732 121.223 0.018 0.000 2.330 160 L HA 0.373 4.713 4.340 0.001 0.000 0.271 160 L C -0.244 176.528 176.870 -0.164 0.000 1.013 160 L CA -1.249 53.514 54.840 -0.129 0.000 0.816 160 L CB 1.245 43.189 42.059 -0.192 0.000 1.287 160 L HN 0.448 nan 8.230 nan 0.000 0.435 161 D N 0.947 121.180 120.400 -0.279 0.000 2.472 161 D HA -0.017 4.623 4.640 0.001 0.000 0.237 161 D C 0.279 176.462 176.300 -0.194 0.000 1.141 161 D CA 0.267 54.135 54.000 -0.221 0.000 0.875 161 D CB 1.365 41.997 40.800 -0.280 0.000 1.192 161 D HN 0.335 nan 8.370 nan 0.000 0.450 162 L N 4.286 125.384 121.223 -0.209 0.000 2.556 162 L HA 0.136 4.476 4.340 0.001 0.000 0.226 162 L C 0.007 176.639 176.870 -0.397 0.000 1.089 162 L CA 0.691 55.303 54.840 -0.379 0.000 0.864 162 L CB 0.041 41.699 42.059 -0.669 0.000 1.067 162 L HN 0.416 nan 8.230 nan 0.000 0.477 163 H N -0.749 118.429 119.070 0.180 0.000 2.622 163 H HA 0.415 4.971 4.556 0.001 0.000 0.363 163 H C -1.798 173.681 175.328 0.252 0.000 1.151 163 H CA -1.948 54.216 56.048 0.193 0.000 1.184 163 H CB 1.226 31.086 29.762 0.163 0.000 1.643 163 H HN -0.176 nan 8.280 nan 0.000 0.531 164 P HA -0.017 nan 4.420 nan 0.000 0.229 164 P C 0.016 177.409 177.300 0.155 0.000 1.160 164 P CA 0.934 64.142 63.100 0.181 0.000 0.777 164 P CB 1.150 32.874 31.700 0.040 0.000 0.814 165 E N -0.437 119.848 120.200 0.142 0.000 2.369 165 E HA 0.446 4.797 4.350 0.001 0.000 0.270 165 E C -2.619 174.127 176.600 0.244 0.000 0.909 165 E CA -2.532 53.948 56.400 0.133 0.000 0.775 165 E CB 1.480 31.228 29.700 0.079 0.000 1.270 165 E HN -0.051 nan 8.360 nan 0.000 0.445 169 I N 1.170 121.891 120.570 0.251 0.000 2.264 169 I HA -0.009 4.161 4.170 0.001 0.000 0.248 169 I C 2.785 178.884 176.117 -0.030 0.000 1.111 169 I CA 2.185 63.447 61.300 -0.063 0.000 1.382 169 I CB -0.699 37.009 38.000 -0.487 0.000 1.060 169 I HN 0.946 nan 8.210 nan 0.000 0.418 170 G N -0.179 108.634 108.800 0.022 0.000 2.446 170 G HA2 -0.288 3.673 3.960 0.001 0.000 0.217 170 G HA3 -0.288 3.673 3.960 0.001 0.000 0.217 170 G C 1.352 176.206 174.900 -0.076 0.000 1.168 170 G CA 1.092 46.169 45.100 -0.039 0.000 0.771 170 G HN 0.435 nan 8.290 nan 0.000 0.551 171 H N 0.572 119.656 119.070 0.022 0.000 2.389 171 H HA 0.191 4.748 4.556 0.001 0.000 0.299 171 H C 2.874 178.154 175.328 -0.080 0.000 1.081 171 H CA 1.100 57.150 56.048 0.005 0.000 1.345 171 H CB -0.023 29.726 29.762 -0.021 0.000 1.393 171 H HN 0.422 nan 8.280 nan 0.000 0.520 172 A N 0.533 123.343 122.820 -0.017 0.000 1.902 172 A HA -0.155 4.165 4.320 0.001 0.000 0.217 172 A C 2.561 180.116 177.584 -0.048 0.000 1.181 172 A CA 1.654 53.639 52.037 -0.088 0.000 0.623 172 A CB -0.907 18.017 19.000 -0.127 0.000 0.818 172 A HN 0.241 nan 8.150 nan 0.000 0.443 173 V N 0.214 120.107 119.914 -0.035 0.000 2.287 173 V HA -0.318 3.803 4.120 0.001 0.000 0.248 173 V C 2.464 178.555 176.094 -0.006 0.000 1.053 173 V CA 2.435 64.720 62.300 -0.024 0.000 1.027 173 V CB -0.888 30.925 31.823 -0.016 0.000 0.646 173 V HN 0.648 nan 8.190 nan 0.000 0.447 174 E N 0.090 120.298 120.200 0.013 0.000 2.070 174 E HA -0.278 4.072 4.350 0.001 0.000 0.197 174 E C 2.232 178.854 176.600 0.036 0.000 1.004 174 E CA 1.479 57.899 56.400 0.034 0.000 0.805 174 E CB -0.370 29.373 29.700 0.071 0.000 0.744 174 E HN 0.614 nan 8.360 nan 0.000 0.451 175 N N 1.408 120.129 118.700 0.035 0.000 2.058 175 N HA -0.177 4.564 4.740 0.001 0.000 0.191 175 N C 1.956 177.468 175.510 0.002 0.000 1.037 175 N CA 1.259 54.323 53.050 0.024 0.000 0.848 175 N CB -0.209 38.277 38.487 -0.001 0.000 1.021 175 N HN 0.142 nan 8.380 nan 0.000 0.422 176 L N 0.554 121.768 121.223 -0.015 0.000 2.046 176 L HA -0.089 4.252 4.340 0.001 0.000 0.208 176 L C 2.517 179.381 176.870 -0.010 0.000 1.077 176 L CA 0.876 55.705 54.840 -0.018 0.000 0.747 176 L CB -0.343 41.698 42.059 -0.029 0.000 0.896 176 L HN 0.143 nan 8.230 nan 0.000 0.432 177 I N -0.200 120.366 120.570 -0.007 0.000 2.394 177 I HA -0.235 3.936 4.170 0.001 0.000 0.251 177 I C 2.762 178.881 176.117 0.004 0.000 1.136 177 I CA 0.960 62.257 61.300 -0.005 0.000 1.425 177 I CB -0.422 37.575 38.000 -0.006 0.000 1.079 177 I HN 0.188 nan 8.210 nan 0.000 0.425 178 A N 0.476 123.304 122.820 0.013 0.000 1.930 178 A HA -0.241 4.079 4.320 0.001 0.000 0.217 178 A C 2.223 179.817 177.584 0.016 0.000 1.175 178 A CA 1.899 53.948 52.037 0.020 0.000 0.627 178 A CB -0.441 18.579 19.000 0.033 0.000 0.815 178 A HN 0.377 nan 8.150 nan 0.000 0.443 179 E N 0.116 120.323 120.200 0.012 0.000 2.072 179 E HA -0.105 4.245 4.350 0.001 0.000 0.191 179 E C -0.287 176.316 176.600 0.005 0.000 0.985 179 E CA 1.316 57.722 56.400 0.009 0.000 0.801 179 E CB 0.075 29.777 29.700 0.004 0.000 0.750 179 E HN 0.439 nan 8.360 nan 0.000 0.452 180 D N -1.840 118.560 120.400 0.000 0.000 2.470 180 D HA 0.282 4.923 4.640 0.001 0.000 0.233 180 D C 0.141 176.438 176.300 -0.007 0.000 1.372 180 D CA 0.323 54.322 54.000 -0.002 0.000 0.994 180 D CB 1.091 41.888 40.800 -0.004 0.000 1.377 180 D HN 0.041 nan 8.370 nan 0.000 0.586 181 A N 3.966 126.782 122.820 -0.005 0.000 1.978 181 A HA -0.145 4.175 4.320 0.001 0.000 0.220 181 A C 1.286 178.860 177.584 -0.017 0.000 1.170 181 A CA 1.524 53.556 52.037 -0.009 0.000 0.636 181 A CB -0.630 18.366 19.000 -0.006 0.000 0.810 181 A HN 0.725 nan 8.150 nan 0.000 0.448 185 D N 1.888 122.224 120.400 -0.108 0.000 2.349 185 D HA 0.206 4.846 4.640 0.001 0.000 0.214 185 D C 0.463 176.614 176.300 -0.248 0.000 1.063 185 D CA 0.073 53.969 54.000 -0.173 0.000 0.847 185 D CB 0.600 41.322 40.800 -0.131 0.000 0.933 185 D HN 0.216 nan 8.370 nan 0.000 0.513 186 L N 1.180 122.307 121.223 -0.159 0.000 2.426 186 L HA 0.085 4.425 4.340 0.001 0.000 0.271 186 L C 0.147 176.916 176.870 -0.169 0.000 1.169 186 L CA -0.371 54.391 54.840 -0.130 0.000 0.836 186 L CB 0.256 42.287 42.059 -0.047 0.000 1.112 186 L HN -0.092 nan 8.230 nan 0.000 0.465 187 Y N 1.576 121.870 120.300 -0.009 0.000 2.346 187 Y HA 0.423 4.973 4.550 0.001 0.000 0.330 187 Y C 0.569 176.455 175.900 -0.023 0.000 1.178 187 Y CA 0.107 58.202 58.100 -0.010 0.000 1.331 187 Y CB 1.096 39.554 38.460 -0.003 0.000 1.253 187 Y HN 0.644 nan 8.280 nan 0.000 0.529 188 A N 1.710 124.611 122.820 0.135 0.000 2.593 188 A HA 0.866 5.186 4.320 0.001 0.000 0.290 188 A C -1.828 175.780 177.584 0.040 0.000 1.126 188 A CA -0.771 51.296 52.037 0.049 0.000 0.695 188 A CB 1.211 20.212 19.000 0.002 0.000 1.290 188 A HN 0.405 nan 8.150 nan 0.000 0.414 189 V N 0.387 120.296 119.914 -0.009 0.000 2.531 189 V HA 0.684 4.804 4.120 0.001 0.000 0.301 189 V C 0.595 176.653 176.094 -0.060 0.000 1.034 189 V CA -0.144 62.152 62.300 -0.007 0.000 0.865 189 V CB 1.638 33.447 31.823 -0.025 0.000 0.995 189 V HN 1.338 nan 8.190 nan 0.000 0.424 190 G N 4.146 112.915 108.800 -0.053 0.000 2.332 190 G HA2 0.735 4.695 3.960 0.001 0.000 0.310 190 G HA3 0.735 4.695 3.960 0.001 0.000 0.310 190 G C -0.928 173.844 174.900 -0.214 0.000 1.123 190 G CA -0.396 44.491 45.100 -0.354 0.000 0.873 190 G HN 0.615 nan 8.290 nan 0.000 0.460 191 I N 1.727 122.128 120.570 -0.282 0.000 2.439 191 I HA 0.487 4.657 4.170 0.001 0.000 0.285 191 I C 0.235 176.251 176.117 -0.167 0.000 1.021 191 I CA -0.654 60.566 61.300 -0.133 0.000 1.091 191 I CB 2.142 40.082 38.000 -0.100 0.000 1.242 191 I HN 0.558 nan 8.210 nan 0.000 0.439 192 A N 5.471 128.245 122.820 -0.077 0.000 2.304 192 A HA 0.747 5.067 4.320 0.001 0.000 0.323 192 A C 0.473 178.062 177.584 0.009 0.000 1.195 192 A CA -0.511 51.503 52.037 -0.039 0.000 0.826 192 A CB 0.557 19.509 19.000 -0.080 0.000 1.184 192 A HN 0.860 nan 8.150 nan 0.000 0.496 193 R N -0.233 120.313 120.500 0.077 0.000 3.423 193 R HA -0.183 4.157 4.340 0.001 0.000 0.271 193 R C 0.464 176.650 176.300 -0.190 0.000 1.093 193 R CA 0.469 56.562 56.100 -0.013 0.000 0.730 193 R CB -2.204 28.027 30.300 -0.115 0.000 1.190 193 R HN 1.412 nan 8.270 nan 0.000 0.437 194 A N 0.311 123.087 122.820 -0.074 0.000 2.566 194 A HA 0.359 4.679 4.320 0.001 0.000 0.245 194 A C 1.693 179.216 177.584 -0.102 0.000 1.056 194 A CA 1.240 53.218 52.037 -0.099 0.000 0.757 194 A CB 0.012 18.984 19.000 -0.047 0.000 0.979 194 A HN 1.111 nan 8.150 nan 0.000 0.508 195 G N 1.235 109.932 108.800 -0.171 0.000 2.213 195 G HA2 -0.256 3.705 3.960 0.001 0.000 0.236 195 G HA3 -0.256 3.705 3.960 0.001 0.000 0.236 195 G C 1.354 176.034 174.900 -0.367 0.000 0.991 195 G CA 0.977 45.996 45.100 -0.136 0.000 0.629 195 G HN 2.108 nan 8.290 nan 0.000 0.517 196 S N 0.156 115.338 115.700 -0.863 0.000 2.461 196 S HA 0.359 4.829 4.470 0.001 0.000 0.228 196 S C 2.479 176.646 174.600 -0.722 0.000 1.005 196 S CA 1.732 58.971 58.200 -1.603 0.000 0.942 196 S CB -0.087 61.883 63.200 -2.050 0.000 0.776 196 S HN 2.442 nan 8.310 nan 0.000 0.514 197 G N 0.063 108.598 108.800 -0.442 0.000 2.179 197 G HA2 -0.228 3.733 3.960 0.001 0.000 0.260 197 G HA3 -0.228 3.733 3.960 0.001 0.000 0.260 197 G C 0.429 175.192 174.900 -0.229 0.000 0.977 197 G CA 0.813 45.756 45.100 -0.263 0.000 0.641 197 G HN 1.291 nan 8.290 nan 0.000 0.533 198 E N 0.117 120.148 120.200 -0.281 0.000 2.869 198 E HA 0.564 4.914 4.350 0.001 0.000 0.207 198 E C 0.212 176.700 176.600 -0.187 0.000 0.986 198 E CA 0.629 56.909 56.400 -0.200 0.000 1.131 198 E CB -0.047 29.544 29.700 -0.181 0.000 1.098 198 E HN 0.682 nan 8.360 nan 0.000 0.459 199 E N -0.558 119.523 120.200 -0.198 0.000 2.415 199 E HA 0.320 4.670 4.350 0.001 0.000 0.262 199 E C -0.140 176.410 176.600 -0.082 0.000 1.038 199 E CA -0.007 56.306 56.400 -0.146 0.000 0.921 199 E CB 1.652 31.268 29.700 -0.140 0.000 0.950 199 E HN 0.212 nan 8.360 nan 0.000 0.438 200 V N 3.556 123.451 119.914 -0.031 0.000 2.333 200 V HA 0.265 4.385 4.120 0.001 0.000 0.274 200 V C -0.489 175.659 176.094 0.091 0.000 1.028 200 V CA -0.638 61.660 62.300 -0.003 0.000 0.851 200 V CB 1.040 32.848 31.823 -0.026 0.000 1.000 200 V HN 0.359 nan 8.190 nan 0.000 0.456 201 V N 4.888 124.827 119.914 0.042 0.000 2.540 201 V HA 0.707 4.827 4.120 0.001 0.000 0.302 201 V C -0.355 175.788 176.094 0.082 0.000 1.035 201 V CA -0.811 61.543 62.300 0.091 0.000 0.873 201 V CB 2.019 33.860 31.823 0.029 0.000 0.992 201 V HN 0.826 nan 8.190 nan 0.000 0.428 202 K N 3.427 123.925 120.400 0.163 0.000 2.581 202 K HA 0.562 4.882 4.320 0.001 0.000 0.249 202 K C -1.331 175.338 176.600 0.115 0.000 0.966 202 K CA -0.192 56.157 56.287 0.103 0.000 0.811 202 K CB 1.570 34.103 32.500 0.055 0.000 1.223 202 K HN 0.779 nan 8.250 nan 0.000 0.438 203 C N 4.152 123.486 119.300 0.056 0.000 2.295 203 C HA 0.850 5.311 4.460 0.001 0.000 0.331 203 C C -0.954 174.099 174.990 0.105 0.000 1.280 203 C CA 0.108 59.163 59.018 0.062 0.000 1.746 203 C CB -0.212 27.530 27.740 0.003 0.000 2.328 203 C HN 0.911 nan 8.230 nan 0.000 0.521 204 D N 2.328 122.825 120.400 0.162 0.000 2.713 204 D HA 0.305 4.945 4.640 0.001 0.000 0.306 204 D C -1.031 175.359 176.300 0.150 0.000 1.299 204 D CA -0.544 53.574 54.000 0.195 0.000 0.823 204 D CB 1.307 42.165 40.800 0.098 0.000 1.353 204 D HN 0.584 nan 8.370 nan 0.000 0.447 205 R N 1.102 121.584 120.500 -0.029 0.000 2.698 205 R HA 0.044 4.384 4.340 0.001 0.000 0.266 205 R C 1.233 177.477 176.300 -0.093 0.000 1.026 205 R CA -0.289 55.654 56.100 -0.261 0.000 1.102 205 R CB 0.311 30.444 30.300 -0.279 0.000 0.978 205 R HN 0.430 nan 8.270 nan 0.000 0.436 206 L N 3.442 124.609 121.223 -0.094 0.000 1.997 206 L HA -0.288 4.052 4.340 0.001 0.000 0.216 206 L C 2.336 179.188 176.870 -0.029 0.000 1.074 206 L CA 2.345 57.158 54.840 -0.046 0.000 0.763 206 L CB -0.532 41.496 42.059 -0.053 0.000 0.890 206 L HN 0.799 nan 8.230 nan 0.000 0.434 207 E N -1.764 118.410 120.200 -0.044 0.000 2.160 207 E HA -0.250 4.100 4.350 0.001 0.000 0.195 207 E C 1.503 178.097 176.600 -0.011 0.000 0.991 207 E CA 1.434 57.818 56.400 -0.026 0.000 0.810 207 E CB -0.620 29.061 29.700 -0.033 0.000 0.742 207 E HN 0.546 nan 8.360 nan 0.000 0.466 208 N N 0.732 119.425 118.700 -0.012 0.000 2.512 208 N HA -0.005 4.736 4.740 0.001 0.000 0.183 208 N C 1.654 177.184 175.510 0.034 0.000 1.073 208 N CA 0.566 53.619 53.050 0.005 0.000 0.911 208 N CB -0.011 38.478 38.487 0.003 0.000 0.964 208 N HN 0.317 nan 8.380 nan 0.000 0.447 209 L N 0.516 121.776 121.223 0.062 0.000 2.376 209 L HA -0.003 4.337 4.340 0.001 0.000 0.219 209 L C 1.982 178.949 176.870 0.162 0.000 1.133 209 L CA 0.648 55.577 54.840 0.150 0.000 0.816 209 L CB -0.153 42.004 42.059 0.163 0.000 0.933 209 L HN 0.040 nan 8.230 nan 0.000 0.449 210 K N 0.621 121.067 120.400 0.078 0.000 2.283 210 K HA -0.135 4.185 4.320 0.001 0.000 0.202 210 K C 1.730 178.353 176.600 0.039 0.000 1.048 210 K CA 0.910 57.231 56.287 0.057 0.000 0.948 210 K CB 0.056 32.569 32.500 0.021 0.000 0.742 210 K HN 0.323 nan 8.250 nan 0.000 0.458 211 K N 0.267 120.678 120.400 0.020 0.000 2.432 211 K HA 0.050 4.370 4.320 0.001 0.000 0.196 211 K C 0.539 177.104 176.600 -0.058 0.000 1.038 211 K CA 0.371 56.649 56.287 -0.015 0.000 0.986 211 K CB 0.298 32.786 32.500 -0.021 0.000 0.782 211 K HN 0.001 nan 8.250 nan 0.000 0.485 212 I N 1.529 122.046 120.570 -0.090 0.000 2.428 212 I HA 0.035 4.206 4.170 0.001 0.000 0.296 212 I C -0.106 175.839 176.117 -0.286 0.000 0.985 212 I CA -0.715 60.406 61.300 -0.297 0.000 1.260 212 I CB 1.186 38.782 38.000 -0.674 0.000 1.389 212 I HN -0.051 nan 8.210 nan 0.000 0.484 213 D N 5.253 125.477 120.400 -0.294 0.000 2.468 213 D HA 0.166 4.806 4.640 0.001 0.000 0.218 213 D C 0.465 176.628 176.300 -0.229 0.000 1.155 213 D CA -0.190 53.715 54.000 -0.157 0.000 0.924 213 D CB 0.130 40.879 40.800 -0.085 0.000 1.029 213 D HN 0.237 nan 8.370 nan 0.000 0.515 214 F N 2.229 122.142 119.950 -0.061 0.000 2.811 214 F HA 0.239 4.766 4.527 0.001 0.000 0.301 214 F C 2.007 177.791 175.800 -0.026 0.000 1.151 214 F CA 0.723 58.627 58.000 -0.160 0.000 1.412 214 F CB -0.203 38.523 39.000 -0.457 0.000 1.113 214 F HN 0.580 nan 8.300 nan 0.000 0.579 215 G N 0.553 109.474 108.800 0.202 0.000 2.645 215 G HA2 -0.286 3.675 3.960 0.001 0.000 0.239 215 G HA3 -0.286 3.675 3.960 0.001 0.000 0.239 215 G C -0.133 174.967 174.900 0.333 0.000 1.331 215 G CA -0.720 44.504 45.100 0.207 0.000 0.890 215 G HN 0.220 nan 8.290 nan 0.000 0.572 216 K N 1.496 122.046 120.400 0.250 0.000 2.219 216 K HA 0.407 4.727 4.320 0.001 0.000 0.258 216 K C -2.000 174.724 176.600 0.207 0.000 1.008 216 K CA -1.008 55.397 56.287 0.197 0.000 0.928 216 K CB 0.428 33.019 32.500 0.151 0.000 0.983 216 K HN 0.267 nan 8.250 nan 0.000 0.484 217 P HA -0.023 nan 4.420 nan 0.000 0.271 217 P C -0.633 176.725 177.300 0.097 0.000 1.238 217 P CA 0.052 63.063 63.100 -0.148 0.000 0.794 217 P CB 0.425 32.025 31.700 -0.166 0.000 0.959 218 L N 1.191 122.494 121.223 0.133 0.000 2.375 218 L HA 0.337 4.677 4.340 0.001 0.000 0.271 218 L C 0.718 177.694 176.870 0.176 0.000 1.107 218 L CA -0.271 54.597 54.840 0.047 0.000 0.806 218 L CB 0.180 42.268 42.059 0.048 0.000 1.146 218 L HN 0.449 nan 8.230 nan 0.000 0.447 219 H N 0.651 119.697 119.070 -0.040 0.000 2.569 219 H HA 0.683 5.240 4.556 0.001 0.000 0.357 219 H C -0.602 174.641 175.328 -0.142 0.000 1.153 219 H CA -1.095 54.886 56.048 -0.111 0.000 1.193 219 H CB 2.440 32.095 29.762 -0.179 0.000 1.602 219 H HN 0.426 nan 8.280 nan 0.000 0.523 223 V N 5.411 125.305 119.914 -0.033 0.000 2.370 223 V HA 0.477 4.598 4.120 0.001 0.000 0.283 223 V C 0.299 176.387 176.094 -0.010 0.000 1.023 223 V CA -0.522 61.767 62.300 -0.018 0.000 0.857 223 V CB 1.560 33.375 31.823 -0.014 0.000 0.985 223 V HN 0.671 nan 8.190 nan 0.000 0.443 224 L N 3.774 125.010 121.223 0.022 0.000 2.473 224 L HA 0.398 4.738 4.340 0.001 0.000 0.268 224 L C 1.168 178.109 176.870 0.118 0.000 1.215 224 L CA 0.011 54.907 54.840 0.095 0.000 0.823 224 L CB 0.372 42.478 42.059 0.078 0.000 1.099 224 L HN 0.786 nan 8.230 nan 0.000 0.483 225 A N 1.991 124.922 122.820 0.186 0.000 2.307 225 A HA 0.030 4.351 4.320 0.001 0.000 0.271 225 A C 1.207 178.780 177.584 -0.018 0.000 1.188 225 A CA 0.105 52.096 52.037 -0.077 0.000 0.810 225 A CB 0.085 18.864 19.000 -0.368 0.000 1.123 225 A HN 0.819 nan 8.150 nan 0.000 0.509 226 K N -0.873 119.500 120.400 -0.045 0.000 2.155 226 K HA -0.027 4.293 4.320 0.001 0.000 0.203 226 K C 0.839 177.435 176.600 -0.007 0.000 1.052 226 K CA 1.835 58.115 56.287 -0.012 0.000 0.948 226 K CB -0.279 32.209 32.500 -0.020 0.000 0.728 226 K HN 0.917 nan 8.250 nan 0.000 0.448 227 T N -2.682 111.855 114.554 -0.029 0.000 2.907 227 T HA 0.627 4.978 4.350 0.001 0.000 0.290 227 T C -0.483 174.212 174.700 -0.008 0.000 1.066 227 T CA -1.064 61.024 62.100 -0.020 0.000 1.012 227 T CB 1.339 70.193 68.868 -0.023 0.000 1.184 227 T HN -0.026 nan 8.240 nan 0.000 0.522 228 L N 1.217 122.445 121.223 0.008 0.000 2.370 228 L HA 0.461 4.801 4.340 0.001 0.000 0.266 228 L C -0.022 176.896 176.870 0.080 0.000 1.002 228 L CA -1.314 53.552 54.840 0.043 0.000 0.818 228 L CB 2.100 44.186 42.059 0.045 0.000 1.325 228 L HN 0.805 nan 8.230 nan 0.000 0.418 229 H N 1.909 120.972 119.070 -0.012 0.000 2.690 229 H HA 0.097 4.653 4.556 0.001 0.000 0.365 229 H C -0.539 174.857 175.328 0.112 0.000 1.142 229 H CA -0.082 56.006 56.048 0.067 0.000 1.417 229 H CB 1.053 30.861 29.762 0.076 0.000 1.446 229 H HN 0.411 nan 8.280 nan 0.000 0.599 233 F N 3.629 123.423 119.950 -0.260 0.000 2.126 233 F HA -0.130 4.397 4.527 0.000 0.000 0.299 233 F C 2.034 177.614 175.800 -0.367 0.000 1.096 233 F CA 1.879 59.707 58.000 -0.287 0.000 1.255 233 F CB 0.158 39.010 39.000 -0.247 0.000 0.997 233 F HN -0.073 nan 8.300 nan 0.000 0.479 234 E N -0.141 119.675 120.200 -0.640 0.000 2.077 234 E HA -0.224 4.126 4.350 0.001 0.000 0.193 234 E C 2.498 178.672 176.600 -0.709 0.000 0.989 234 E CA 1.655 57.622 56.400 -0.723 0.000 0.800 234 E CB -1.034 28.322 29.700 -0.574 0.000 0.746 234 E HN 0.489 nan 8.360 nan 0.000 0.452 235 C N 0.658 119.576 119.300 -0.637 0.000 2.457 235 C HA -0.004 4.456 4.460 0.001 0.000 0.278 235 C C 2.828 177.357 174.990 -0.769 0.000 1.309 235 C CA 0.126 58.593 59.018 -0.918 0.000 1.735 235 C CB -0.994 26.422 27.740 -0.540 0.000 1.992 235 C HN 0.339 nan 8.230 nan 0.000 0.493 236 L N 0.210 121.134 121.223 -0.498 0.000 2.093 236 L HA -0.099 4.241 4.340 0.001 0.000 0.208 236 L C 2.897 179.530 176.870 -0.394 0.000 1.085 236 L CA 1.153 55.788 54.840 -0.342 0.000 0.755 236 L CB -0.586 41.309 42.059 -0.275 0.000 0.904 236 L HN 0.277 nan 8.230 nan 0.000 0.435 237 R N -0.071 120.064 120.500 -0.609 0.000 2.075 237 R HA -0.160 4.180 4.340 0.001 0.000 0.232 237 R C 2.135 178.208 176.300 -0.380 0.000 1.126 237 R CA 1.226 57.011 56.100 -0.526 0.000 0.963 237 R CB -0.250 29.612 30.300 -0.730 0.000 0.858 237 R HN 0.283 nan 8.270 nan 0.000 0.435 238 E N -0.157 119.760 120.200 -0.473 0.000 2.076 238 E HA -0.058 4.293 4.350 0.001 0.000 0.190 238 E C 1.279 177.817 176.600 -0.103 0.000 0.979 238 E CA 1.104 57.300 56.400 -0.340 0.000 0.807 238 E CB -0.004 29.405 29.700 -0.485 0.000 0.761 238 E HN 0.151 nan 8.360 nan 0.000 0.454 239 F N -0.760 119.108 119.950 -0.136 0.000 2.656 239 F HA 0.440 4.967 4.527 0.000 0.000 0.291 239 F C 1.670 177.410 175.800 -0.099 0.000 1.122 239 F CA 0.376 58.312 58.000 -0.107 0.000 1.427 239 F CB -0.336 38.604 39.000 -0.099 0.000 1.125 239 F HN 0.110 nan 8.300 nan 0.000 0.583 240 A N -0.600 122.238 122.820 0.030 0.000 2.538 240 A HA 0.326 4.647 4.320 0.001 0.000 0.269 240 A C 0.393 177.954 177.584 -0.038 0.000 1.231 240 A CA 0.292 52.328 52.037 -0.001 0.000 0.948 240 A CB -0.481 18.515 19.000 -0.007 0.000 1.110 240 A HN 0.156 nan 8.150 nan 0.000 0.529 241 D N -0.825 119.535 120.400 -0.066 0.000 2.708 241 D HA -0.170 4.471 4.640 0.001 0.000 0.236 241 D C 0.369 176.629 176.300 -0.068 0.000 1.146 241 D CA 0.851 54.809 54.000 -0.071 0.000 0.662 241 D CB -1.480 39.288 40.800 -0.052 0.000 1.059 241 D HN 0.852 nan 8.370 nan 0.000 0.428 242 A N 0.399 123.155 122.820 -0.107 0.000 2.466 242 A HA 0.508 4.828 4.320 0.001 0.000 0.238 242 A C -1.892 175.663 177.584 -0.049 0.000 1.074 242 A CA -0.473 51.514 52.037 -0.084 0.000 0.774 242 A CB 0.346 19.244 19.000 -0.171 0.000 1.015 242 A HN 0.310 nan 8.150 nan 0.000 0.498 243 P HA 0.331 nan 4.420 nan 0.000 0.281 243 P C 0.608 177.952 177.300 0.073 0.000 1.249 243 P CA 0.231 63.360 63.100 0.049 0.000 0.810 243 P CB 1.342 33.102 31.700 0.099 0.000 1.008 244 A N 2.840 125.710 122.820 0.083 0.000 1.948 244 A HA -0.246 4.075 4.320 0.001 0.000 0.220 244 A C 1.858 179.508 177.584 0.109 0.000 1.177 244 A CA 2.077 54.192 52.037 0.130 0.000 0.636 244 A CB -1.407 17.646 19.000 0.089 0.000 0.815 244 A HN 0.730 nan 8.150 nan 0.000 0.449 245 E N -0.340 119.907 120.200 0.080 0.000 2.331 245 E HA -0.194 4.156 4.350 0.001 0.000 0.199 245 E C 1.626 178.210 176.600 -0.026 0.000 1.008 245 E CA 1.166 57.605 56.400 0.065 0.000 0.843 245 E CB -0.529 29.258 29.700 0.144 0.000 0.761 245 E HN 0.460 nan 8.360 nan 0.000 0.507 246 L N 1.712 122.866 121.223 -0.116 0.000 2.265 246 L HA -0.142 4.198 4.340 0.001 0.000 0.215 246 L C 2.183 178.912 176.870 -0.235 0.000 1.117 246 L CA 1.805 56.423 54.840 -0.370 0.000 0.782 246 L CB -0.350 41.579 42.059 -0.216 0.000 0.914 246 L HN 0.155 nan 8.230 nan 0.000 0.441 247 E N -0.570 119.439 120.200 -0.318 0.000 2.265 247 E HA -0.264 4.086 4.350 0.001 0.000 0.196 247 E C 2.252 178.622 176.600 -0.382 0.000 0.996 247 E CA 1.053 56.983 56.400 -0.783 0.000 0.832 247 E CB 0.085 29.270 29.700 -0.860 0.000 0.756 247 E HN 0.593 nan 8.360 nan 0.000 0.491 248 R N 0.168 120.542 120.500 -0.210 0.000 2.193 248 R HA -0.112 4.228 4.340 0.001 0.000 0.229 248 R C 1.974 178.213 176.300 -0.102 0.000 1.110 248 R CA 1.380 57.410 56.100 -0.117 0.000 0.988 248 R CB -1.056 29.223 30.300 -0.035 0.000 0.871 248 R HN 0.087 nan 8.270 nan 0.000 0.458 249 L N 0.160 121.306 121.223 -0.128 0.000 2.554 249 L HA 0.132 4.472 4.340 0.001 0.000 0.226 249 L C 0.740 177.564 176.870 -0.078 0.000 1.137 249 L CA 0.396 55.189 54.840 -0.079 0.000 0.863 249 L CB 0.237 42.248 42.059 -0.080 0.000 0.985 249 L HN 0.176 nan 8.230 nan 0.000 0.451 250 V N 0.000 119.841 119.914 -0.122 0.000 2.409 250 V HA 0.000 4.120 4.120 0.001 0.000 0.244 250 V CA 0.000 62.251 62.300 -0.082 0.000 1.235 250 V CB 0.000 31.767 31.823 -0.094 0.000 1.184 250 V HN 0.000 nan 8.190 nan 0.000 0.556