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 1odj_1_B DATA FIRST_RESID 2 DATA SEQUENCE SPIHVRAHPG DVAERVLLPG DPGRAEWIAK TFLQNPRRYN DHRGLWGYTG DATA SEQUENCE LYKGVPVSVQ TTGMGTPSAA IVVEELVRLG ARVLVRVGTA GAASSDLAPG DATA SEQUENCE ELIVAQGAVP LDGTTRQYLE GRPYAPVPDP EVFRALWRRA EALGYPHRVG DATA SEQUENCE LVASEDAFYA TTPEEARAWA RYGVLAFEME ASALFLLGRM RGVRTGAILA DATA SEQUENCE VSNRIGDPEL APPEVLQEGV RRMVEVALEA VLEV 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.561 174.600 -0.065 0.000 1.055 2 S CA 0.000 58.169 58.200 -0.051 0.000 1.107 2 S CB 0.000 63.136 63.200 -0.107 0.000 0.593 3 P HA 0.236 nan 4.420 nan 0.000 0.267 3 P C 1.047 178.302 177.300 -0.074 0.000 1.195 3 P CA -0.274 62.805 63.100 -0.035 0.000 0.773 3 P CB 0.307 31.999 31.700 -0.014 0.000 0.837 4 I N 0.619 121.161 120.570 -0.045 0.000 2.179 4 I HA -0.280 3.890 4.170 0.000 0.000 0.242 4 I C 1.566 177.449 176.117 -0.389 0.000 1.088 4 I CA 1.644 62.827 61.300 -0.194 0.000 1.357 4 I CB -0.355 37.535 38.000 -0.184 0.000 1.051 4 I HN 0.510 nan 8.210 nan 0.000 0.409 5 H N -0.611 118.384 119.070 -0.125 0.000 2.334 5 H HA 0.170 4.726 4.556 0.000 0.000 0.315 5 H C 0.640 175.909 175.328 -0.099 0.000 1.056 5 H CA 0.125 56.103 56.048 -0.117 0.000 1.418 5 H CB -0.408 29.360 29.762 0.010 0.000 1.464 5 H HN -0.120 nan 8.280 nan 0.000 0.587 6 V N 3.677 123.667 119.914 0.127 0.000 2.302 6 V HA 0.046 4.166 4.120 0.000 0.000 0.244 6 V C 0.373 176.482 176.094 0.024 0.000 1.160 6 V CA 0.207 62.574 62.300 0.112 0.000 1.127 6 V CB -0.519 31.389 31.823 0.142 0.000 1.253 6 V HN 0.322 nan 8.190 nan 0.000 0.496 7 R N 3.420 123.898 120.500 -0.037 0.000 4.559 7 R HA 0.362 4.702 4.340 0.000 0.000 0.177 7 R C 0.607 176.819 176.300 -0.148 0.000 1.875 7 R CA -0.021 55.999 56.100 -0.134 0.000 1.509 7 R CB 0.032 30.232 30.300 -0.167 0.000 1.395 7 R HN 0.744 nan 8.270 nan 0.000 0.830 8 A N 0.924 123.665 122.820 -0.131 0.000 2.256 8 A HA 0.437 4.757 4.320 0.000 0.000 0.318 8 A C -0.370 177.015 177.584 -0.332 0.000 1.103 8 A CA -0.575 51.361 52.037 -0.169 0.000 0.860 8 A CB 0.701 19.526 19.000 -0.291 0.000 1.182 8 A HN 0.416 nan 8.150 nan 0.000 0.501 9 H N -0.591 118.441 119.070 -0.063 0.000 2.676 9 H HA 0.315 4.871 4.556 0.000 0.000 0.352 9 H C -1.590 173.697 175.328 -0.069 0.000 1.193 9 H CA -1.612 54.407 56.048 -0.049 0.000 1.243 9 H CB 0.998 30.746 29.762 -0.022 0.000 1.751 9 H HN 0.326 nan 8.280 nan 0.000 0.567 10 P HA -0.194 nan 4.420 nan 0.000 0.225 10 P C 0.508 177.809 177.300 0.002 0.000 1.154 10 P CA 2.158 65.280 63.100 0.036 0.000 0.933 10 P CB 0.033 31.754 31.700 0.035 0.000 0.790 11 G N -1.547 107.259 108.800 0.011 0.000 4.662 11 G HA2 0.216 4.176 3.960 0.000 0.000 0.328 11 G HA3 0.216 4.176 3.960 0.000 0.000 0.328 11 G C -0.257 174.630 174.900 -0.022 0.000 1.451 11 G CA -0.262 44.832 45.100 -0.010 0.000 1.154 11 G HN 0.028 nan 8.290 nan 0.000 0.547 12 D N -0.059 120.286 120.400 -0.092 0.000 2.318 12 D HA 0.048 4.688 4.640 0.000 0.000 0.294 12 D C 0.954 177.090 176.300 -0.274 0.000 1.091 12 D CA 0.318 54.229 54.000 -0.149 0.000 0.883 12 D CB 1.229 41.905 40.800 -0.206 0.000 1.545 12 D HN 0.197 nan 8.370 nan 0.000 0.513 13 V N 1.599 121.318 119.914 -0.325 0.000 2.567 13 V HA 0.686 4.806 4.120 0.000 0.000 0.289 13 V C 0.448 176.494 176.094 -0.080 0.000 1.049 13 V CA -0.809 61.336 62.300 -0.259 0.000 0.969 13 V CB 1.513 33.173 31.823 -0.270 0.000 0.995 13 V HN 0.136 nan 8.190 nan 0.000 0.471 14 A N 2.536 125.350 122.820 -0.010 0.000 2.269 14 A HA 0.557 4.877 4.320 0.000 0.000 0.327 14 A C 0.887 178.483 177.584 0.021 0.000 1.112 14 A CA -0.456 51.592 52.037 0.019 0.000 0.865 14 A CB 0.587 19.619 19.000 0.053 0.000 1.227 14 A HN 0.901 nan 8.150 nan 0.000 0.498 15 E N -0.051 120.164 120.200 0.025 0.000 2.110 15 E HA -0.114 4.236 4.350 0.000 0.000 0.193 15 E C 0.076 176.698 176.600 0.036 0.000 0.988 15 E CA 0.887 57.303 56.400 0.026 0.000 0.804 15 E CB 0.000 29.716 29.700 0.025 0.000 0.745 15 E HN 0.498 nan 8.360 nan 0.000 0.458 16 R N 1.085 121.613 120.500 0.046 0.000 2.202 16 R HA 0.311 4.651 4.340 0.000 0.000 0.334 16 R C -1.038 175.296 176.300 0.056 0.000 1.036 16 R CA -0.274 55.856 56.100 0.051 0.000 0.878 16 R CB 1.448 31.784 30.300 0.060 0.000 1.067 16 R HN -0.122 nan 8.270 nan 0.000 0.457 17 V N 4.667 124.613 119.914 0.053 0.000 2.709 17 V HA 0.401 4.521 4.120 0.000 0.000 0.308 17 V C -0.142 175.980 176.094 0.048 0.000 1.062 17 V CA -0.962 61.376 62.300 0.063 0.000 0.901 17 V CB 2.255 34.125 31.823 0.078 0.000 1.003 17 V HN 0.606 nan 8.190 nan 0.000 0.425 18 L N 4.519 125.765 121.223 0.039 0.000 2.325 18 L HA 0.590 4.930 4.340 0.000 0.000 0.279 18 L C -0.811 176.086 176.870 0.044 0.000 1.054 18 L CA -0.554 54.296 54.840 0.017 0.000 0.804 18 L CB 1.584 43.623 42.059 -0.034 0.000 1.200 18 L HN 0.488 nan 8.230 nan 0.000 0.436 19 L N 5.518 126.763 121.223 0.036 0.000 2.384 19 L HA 0.419 4.759 4.340 0.000 0.000 0.261 19 L C -2.319 174.568 176.870 0.029 0.000 1.024 19 L CA -1.502 53.363 54.840 0.042 0.000 0.899 19 L CB 1.239 43.318 42.059 0.034 0.000 1.243 19 L HN 0.332 nan 8.230 nan 0.000 0.449 20 P HA 0.227 nan 4.420 nan 0.000 0.285 20 P C 0.325 177.638 177.300 0.021 0.000 1.269 20 P CA -0.411 62.708 63.100 0.031 0.000 0.844 20 P CB 2.332 34.065 31.700 0.054 0.000 1.094 21 G N 0.598 109.399 108.800 0.001 0.000 2.459 21 G HA2 -0.057 3.903 3.960 0.000 0.000 0.213 21 G HA3 -0.057 3.903 3.960 0.000 0.000 0.213 21 G C 0.322 175.205 174.900 -0.028 0.000 1.155 21 G CA 0.331 45.422 45.100 -0.016 0.000 0.811 21 G HN 0.507 nan 8.290 nan 0.000 0.534 22 D N 1.099 121.483 120.400 -0.025 0.000 2.325 22 D HA 0.177 4.817 4.640 0.000 0.000 0.251 22 D C -0.809 175.476 176.300 -0.026 0.000 1.196 22 D CA -2.380 51.593 54.000 -0.045 0.000 0.866 22 D CB 1.969 42.744 40.800 -0.041 0.000 1.101 22 D HN 0.055 nan 8.370 nan 0.000 0.476 23 P HA -0.138 nan 4.420 nan 0.000 0.218 23 P C 1.346 178.680 177.300 0.058 0.000 1.148 23 P CA 1.010 64.062 63.100 -0.079 0.000 0.822 23 P CB 0.173 31.603 31.700 -0.449 0.000 0.784 24 G N 0.462 109.256 108.800 -0.011 0.000 2.440 24 G HA2 -0.268 3.692 3.960 0.000 0.000 0.218 24 G HA3 -0.268 3.692 3.960 0.000 0.000 0.218 24 G C 1.933 176.925 174.900 0.152 0.000 1.154 24 G CA 0.641 45.794 45.100 0.088 0.000 0.767 24 G HN 0.256 nan 8.290 nan 0.000 0.552 25 R N 0.414 120.977 120.500 0.105 0.000 2.092 25 R HA 0.066 4.406 4.340 0.000 0.000 0.231 25 R C 2.917 179.358 176.300 0.236 0.000 1.119 25 R CA 1.205 57.401 56.100 0.161 0.000 0.970 25 R CB -0.312 30.037 30.300 0.082 0.000 0.864 25 R HN 0.313 nan 8.270 nan 0.000 0.440 26 A N 1.162 124.090 122.820 0.179 0.000 1.841 26 A HA -0.272 4.048 4.320 0.000 0.000 0.216 26 A C 2.000 179.580 177.584 -0.006 0.000 1.199 26 A CA 1.831 53.963 52.037 0.159 0.000 0.621 26 A CB -0.843 18.328 19.000 0.285 0.000 0.835 26 A HN 0.558 nan 8.150 nan 0.000 0.445 27 E N -1.608 118.609 120.200 0.029 0.000 2.114 27 E HA -0.292 4.058 4.350 0.000 0.000 0.199 27 E C 1.824 178.317 176.600 -0.178 0.000 1.008 27 E CA 1.751 57.955 56.400 -0.327 0.000 0.810 27 E CB -0.310 29.502 29.700 0.188 0.000 0.739 27 E HN 0.782 nan 8.360 nan 0.000 0.456 28 W N 1.070 122.315 121.300 -0.092 0.000 2.363 28 W HA -0.133 4.527 4.660 0.000 0.000 0.296 28 W C 1.807 178.327 176.519 0.001 0.000 1.212 28 W CA 1.530 58.856 57.345 -0.032 0.000 1.260 28 W CB -0.234 29.235 29.460 0.015 0.000 1.131 28 W HN 0.053 nan 8.180 nan 0.000 0.530 29 I N 0.684 121.215 120.570 -0.065 0.000 2.202 29 I HA -0.267 3.903 4.170 0.000 0.000 0.242 29 I C 2.595 178.587 176.117 -0.208 0.000 1.091 29 I CA 1.446 62.611 61.300 -0.224 0.000 1.368 29 I CB -1.115 36.815 38.000 -0.117 0.000 1.058 29 I HN 0.061 nan 8.210 nan 0.000 0.410 30 A N 0.513 123.175 122.820 -0.265 0.000 2.070 30 A HA -0.197 4.123 4.320 0.000 0.000 0.220 30 A C 2.278 179.734 177.584 -0.212 0.000 1.159 30 A CA 1.580 53.461 52.037 -0.260 0.000 0.656 30 A CB -0.325 18.349 19.000 -0.544 0.000 0.800 30 A HN 0.368 nan 8.150 nan 0.000 0.453 31 K N -1.576 118.665 120.400 -0.264 0.000 2.168 31 K HA 0.016 4.336 4.320 0.000 0.000 0.201 31 K C 1.769 178.215 176.600 -0.256 0.000 1.049 31 K CA 1.302 57.463 56.287 -0.209 0.000 0.974 31 K CB -0.029 32.368 32.500 -0.171 0.000 0.792 31 K HN 0.390 nan 8.250 nan 0.000 0.463 32 T N 0.240 114.532 114.554 -0.437 0.000 3.023 32 T HA 0.012 4.362 4.350 0.000 0.000 0.266 32 T C 0.925 175.234 174.700 -0.653 0.000 1.093 32 T CA 0.996 62.725 62.100 -0.617 0.000 1.129 32 T CB 0.006 68.193 68.868 -1.135 0.000 0.899 32 T HN 0.062 nan 8.240 nan 0.000 0.491 33 F N -0.372 119.387 119.950 -0.318 0.000 2.819 33 F HA 0.442 4.969 4.527 0.000 0.000 0.325 33 F C 0.486 176.271 175.800 -0.025 0.000 1.041 33 F CA -0.548 57.351 58.000 -0.168 0.000 1.184 33 F CB 0.406 39.228 39.000 -0.296 0.000 1.019 33 F HN -0.056 nan 8.300 nan 0.000 0.590 34 L N 1.706 122.993 121.223 0.107 0.000 2.360 34 L HA 0.417 4.757 4.340 0.000 0.000 0.271 34 L C -0.216 176.697 176.870 0.071 0.000 1.057 34 L CA -0.867 54.041 54.840 0.114 0.000 0.803 34 L CB 0.762 42.865 42.059 0.074 0.000 1.207 34 L HN -0.086 nan 8.230 nan 0.000 0.445 35 Q N 1.117 120.969 119.800 0.088 0.000 2.222 35 Q HA 0.237 4.577 4.340 0.000 0.000 0.252 35 Q C -0.273 175.759 176.000 0.052 0.000 0.926 35 Q CA -0.488 55.347 55.803 0.053 0.000 0.899 35 Q CB 1.207 29.974 28.738 0.048 0.000 1.250 35 Q HN 0.573 nan 8.270 nan 0.000 0.441 36 N N 0.256 118.978 118.700 0.037 0.000 2.699 36 N HA -0.182 4.559 4.740 0.000 0.000 0.256 36 N C -2.492 173.055 175.510 0.061 0.000 0.993 36 N CA -0.304 52.771 53.050 0.041 0.000 0.759 36 N CB -1.082 37.429 38.487 0.040 0.000 0.906 36 N HN 0.284 nan 8.380 nan 0.000 0.541 37 P HA 0.140 nan 4.420 nan 0.000 0.271 37 P C -0.341 177.030 177.300 0.119 0.000 1.216 37 P CA 0.310 63.469 63.100 0.098 0.000 0.771 37 P CB 0.738 32.477 31.700 0.065 0.000 0.864 38 R N 2.638 123.228 120.500 0.150 0.000 2.575 38 R HA 0.384 4.724 4.340 0.000 0.000 0.293 38 R C -0.261 176.072 176.300 0.055 0.000 0.983 38 R CA -0.911 55.252 56.100 0.106 0.000 0.887 38 R CB 2.015 32.374 30.300 0.098 0.000 1.184 38 R HN 0.461 nan 8.270 nan 0.000 0.445 39 R N 2.819 123.250 120.500 -0.114 0.000 2.196 39 R HA 0.099 4.439 4.340 0.000 0.000 0.340 39 R C 0.351 176.458 176.300 -0.321 0.000 1.043 39 R CA -0.088 55.696 56.100 -0.527 0.000 0.883 39 R CB 0.273 30.105 30.300 -0.780 0.000 1.078 39 R HN 0.661 nan 8.270 nan 0.000 0.462 40 Y N 1.833 122.035 120.300 -0.164 0.000 2.511 40 Y HA 0.332 4.882 4.550 0.000 0.000 0.279 40 Y C -0.407 175.443 175.900 -0.083 0.000 1.157 40 Y CA -0.868 57.184 58.100 -0.079 0.000 1.300 40 Y CB 0.099 38.542 38.460 -0.029 0.000 1.052 40 Y HN 0.496 nan 8.280 nan 0.000 0.529 41 N N 0.171 118.711 118.700 -0.267 0.000 2.516 41 N HA 0.174 4.914 4.740 0.000 0.000 0.268 41 N C -1.341 174.121 175.510 -0.080 0.000 1.096 41 N CA -0.070 52.937 53.050 -0.072 0.000 0.954 41 N CB 1.278 39.837 38.487 0.121 0.000 1.676 41 N HN 0.158 nan 8.380 nan 0.000 0.490 42 D N -0.254 120.191 120.400 0.075 0.000 2.525 42 D HA 0.055 4.695 4.640 0.000 0.000 0.231 42 D C -0.057 176.432 176.300 0.314 0.000 1.216 42 D CA -0.054 54.125 54.000 0.299 0.000 0.813 42 D CB -0.505 40.343 40.800 0.079 0.000 1.108 42 D HN 0.579 nan 8.370 nan 0.000 0.524 43 H N 2.711 121.854 119.070 0.121 0.000 3.064 43 H HA 0.063 4.619 4.556 0.000 0.000 0.329 43 H C 0.471 175.853 175.328 0.090 0.000 1.020 43 H CA 1.224 57.324 56.048 0.087 0.000 1.402 43 H CB 0.424 30.216 29.762 0.051 0.000 1.379 43 H HN 0.116 nan 8.280 nan 0.000 0.594 44 R N 2.375 122.765 120.500 -0.184 0.000 3.863 44 R HA -0.210 4.130 4.340 0.000 0.000 0.313 44 R C 1.083 177.369 176.300 -0.023 0.000 1.202 44 R CA 0.894 56.958 56.100 -0.060 0.000 0.852 44 R CB -1.898 28.488 30.300 0.145 0.000 1.292 44 R HN 1.069 nan 8.270 nan 0.000 0.519 45 G N 0.116 108.902 108.800 -0.024 0.000 2.187 45 G HA2 -0.319 3.641 3.960 0.000 0.000 0.261 45 G HA3 -0.319 3.641 3.960 0.000 0.000 0.261 45 G C 0.197 174.913 174.900 -0.308 0.000 1.000 45 G CA 0.610 45.567 45.100 -0.238 0.000 0.718 45 G HN 0.335 nan 8.290 nan 0.000 0.519 46 L N 0.386 121.603 121.223 -0.010 0.000 2.536 46 L HA 0.310 4.650 4.340 0.000 0.000 0.242 46 L C 0.415 177.389 176.870 0.173 0.000 1.280 46 L CA -1.154 53.713 54.840 0.046 0.000 1.221 46 L CB -0.185 41.938 42.059 0.107 0.000 1.449 46 L HN 0.101 nan 8.230 nan 0.000 0.405 47 W N 1.717 122.996 121.300 -0.035 0.000 2.397 47 W HA 0.326 4.986 4.660 0.000 0.000 0.327 47 W C 0.858 177.255 176.519 -0.203 0.000 1.421 47 W CA -0.843 56.406 57.345 -0.159 0.000 1.288 47 W CB 0.280 29.727 29.460 -0.020 0.000 1.312 47 W HN 0.284 nan 8.180 nan 0.000 0.559 48 G N 3.832 112.411 108.800 -0.368 0.000 2.626 48 G HA2 0.585 4.545 3.960 0.000 0.000 0.304 48 G HA3 0.585 4.545 3.960 0.000 0.000 0.304 48 G C -1.925 172.285 174.900 -1.149 0.000 1.385 48 G CA -0.510 44.247 45.100 -0.572 0.000 0.957 48 G HN 0.259 nan 8.290 nan 0.000 0.504 49 Y N 0.538 120.625 120.300 -0.354 0.000 2.528 49 Y HA 0.767 5.317 4.550 0.000 0.000 0.335 49 Y C 0.739 176.711 175.900 0.119 0.000 1.093 49 Y CA -0.747 57.249 58.100 -0.173 0.000 1.134 49 Y CB 2.785 41.207 38.460 -0.064 0.000 1.253 49 Y HN 0.407 nan 8.280 nan 0.000 0.478 50 T N 0.716 115.471 114.554 0.335 0.000 2.912 50 T HA 0.767 5.117 4.350 0.000 0.000 0.299 50 T C -0.320 174.498 174.700 0.197 0.000 1.052 50 T CA -0.578 61.699 62.100 0.296 0.000 0.996 50 T CB 1.833 70.899 68.868 0.330 0.000 1.070 50 T HN 1.020 nan 8.240 nan 0.000 0.465 51 G N 1.125 110.017 108.800 0.154 0.000 2.494 51 G HA2 0.583 4.543 3.960 0.000 0.000 0.308 51 G HA3 0.583 4.543 3.960 0.000 0.000 0.308 51 G C -2.226 172.744 174.900 0.117 0.000 1.263 51 G CA -0.787 44.386 45.100 0.121 0.000 0.840 51 G HN 0.708 nan 8.290 nan 0.000 0.479 52 L N 0.465 121.755 121.223 0.112 0.000 2.322 52 L HA 0.543 4.883 4.340 0.000 0.000 0.281 52 L C -1.308 175.672 176.870 0.184 0.000 1.014 52 L CA -0.935 53.977 54.840 0.119 0.000 0.815 52 L CB 1.974 44.077 42.059 0.073 0.000 1.247 52 L HN 0.572 nan 8.230 nan 0.000 0.421 53 Y N 4.036 124.361 120.300 0.042 0.000 2.388 53 Y HA 0.282 4.832 4.550 0.000 0.000 0.328 53 Y C 0.227 176.151 175.900 0.040 0.000 0.963 53 Y CA -1.370 56.759 58.100 0.049 0.000 1.240 53 Y CB 0.671 39.164 38.460 0.055 0.000 1.118 53 Y HN 0.580 nan 8.280 nan 0.000 0.484 54 K N 4.686 124.879 120.400 -0.345 0.000 3.071 54 K HA -0.237 4.083 4.320 0.000 0.000 0.265 54 K C 0.911 177.419 176.600 -0.153 0.000 1.060 54 K CA 0.939 57.020 56.287 -0.344 0.000 0.767 54 K CB -1.608 30.543 32.500 -0.581 0.000 1.241 54 K HN 1.326 nan 8.250 nan 0.000 0.486 55 G N -1.476 107.284 108.800 -0.067 0.000 2.199 55 G HA2 -0.310 3.650 3.960 0.000 0.000 0.254 55 G HA3 -0.310 3.650 3.960 0.000 0.000 0.254 55 G C 0.133 175.035 174.900 0.003 0.000 0.982 55 G CA 0.160 45.245 45.100 -0.025 0.000 0.632 55 G HN 0.247 nan 8.290 nan 0.000 0.529 56 V N 2.106 122.032 119.914 0.019 0.000 2.435 56 V HA 0.505 4.625 4.120 0.000 0.000 0.290 56 V C -1.944 174.207 176.094 0.096 0.000 1.030 56 V CA -1.768 60.565 62.300 0.056 0.000 0.881 56 V CB 1.910 33.774 31.823 0.068 0.000 0.983 56 V HN 0.056 nan 8.190 nan 0.000 0.445 57 P HA 0.191 nan 4.420 nan 0.000 0.267 57 P C -0.985 176.375 177.300 0.101 0.000 1.209 57 P CA 0.294 63.445 63.100 0.086 0.000 0.763 57 P CB 0.539 32.276 31.700 0.061 0.000 0.816 58 V N 3.258 123.242 119.914 0.117 0.000 2.760 58 V HA 0.457 4.577 4.120 0.000 0.000 0.309 58 V C -0.083 176.080 176.094 0.115 0.000 1.077 58 V CA -0.468 61.895 62.300 0.105 0.000 0.910 58 V CB 2.401 34.283 31.823 0.100 0.000 1.008 58 V HN 0.341 nan 8.190 nan 0.000 0.424 59 S N 2.004 117.774 115.700 0.116 0.000 2.532 59 S HA 0.809 5.279 4.470 0.000 0.000 0.301 59 S C -0.719 173.975 174.600 0.157 0.000 1.083 59 S CA -0.608 57.701 58.200 0.182 0.000 1.025 59 S CB 2.037 65.364 63.200 0.211 0.000 1.056 59 S HN 0.530 nan 8.310 nan 0.000 0.494 60 V N 3.031 123.070 119.914 0.208 0.000 2.409 60 V HA 0.525 4.645 4.120 0.000 0.000 0.290 60 V C -0.645 175.584 176.094 0.225 0.000 1.017 60 V CA -0.675 61.727 62.300 0.170 0.000 0.841 60 V CB 1.237 33.138 31.823 0.130 0.000 1.003 60 V HN 0.771 nan 8.190 nan 0.000 0.426 61 Q N 2.859 122.771 119.800 0.186 0.000 2.330 61 Q HA 0.506 4.846 4.340 0.000 0.000 0.269 61 Q C -0.320 175.762 176.000 0.137 0.000 1.022 61 Q CA -0.147 55.767 55.803 0.184 0.000 0.796 61 Q CB 1.924 30.790 28.738 0.212 0.000 1.271 61 Q HN 0.778 nan 8.270 nan 0.000 0.450 62 T N 3.136 117.773 114.554 0.137 0.000 2.870 62 T HA 0.160 4.510 4.350 0.000 0.000 0.300 62 T C 1.085 175.818 174.700 0.055 0.000 0.989 62 T CA 0.617 62.770 62.100 0.088 0.000 1.139 62 T CB 0.736 69.644 68.868 0.066 0.000 0.920 62 T HN 0.802 nan 8.240 nan 0.000 0.537 63 T N 0.363 114.933 114.554 0.027 0.000 3.039 63 T HA 0.482 4.832 4.350 0.000 0.000 0.250 63 T C 1.124 175.818 174.700 -0.011 0.000 1.052 63 T CA 0.446 62.553 62.100 0.010 0.000 1.125 63 T CB -0.231 68.637 68.868 0.000 0.000 0.908 63 T HN 1.166 nan 8.240 nan 0.000 0.473 64 G N 1.354 110.139 108.800 -0.025 0.000 2.631 64 G HA2 -0.037 3.923 3.960 0.000 0.000 0.504 64 G HA3 -0.037 3.923 3.960 0.000 0.000 0.504 64 G C -0.696 174.180 174.900 -0.040 0.000 1.306 64 G CA -0.518 44.557 45.100 -0.042 0.000 0.897 64 G HN 0.568 nan 8.290 nan 0.000 0.520 65 M N 1.063 120.635 119.600 -0.046 0.000 2.209 65 M HA 0.551 5.031 4.480 0.000 0.000 0.355 65 M C 0.764 177.048 176.300 -0.028 0.000 1.171 65 M CA 0.868 56.144 55.300 -0.040 0.000 1.069 65 M CB 1.167 33.733 32.600 -0.057 0.000 1.622 65 M HN 2.515 nan 8.290 nan 0.000 0.459 66 G N 1.244 110.031 108.800 -0.021 0.000 2.712 66 G HA2 -0.173 3.787 3.960 0.000 0.000 0.686 66 G HA3 -0.173 3.787 3.960 0.000 0.000 0.686 66 G C 0.324 175.211 174.900 -0.022 0.000 1.181 66 G CA -0.297 44.794 45.100 -0.015 0.000 0.762 66 G HN 0.883 nan 8.290 nan 0.000 0.641 67 T N -1.039 113.502 114.554 -0.020 0.000 2.881 67 T HA -0.009 4.341 4.350 0.000 0.000 0.270 67 T C 0.118 174.820 174.700 0.003 0.000 1.068 67 T CA 2.047 64.137 62.100 -0.016 0.000 1.131 67 T CB -0.660 68.200 68.868 -0.013 0.000 0.871 67 T HN 0.412 nan 8.240 nan 0.000 0.479 68 P HA -0.072 nan 4.420 nan 0.000 0.215 68 P C 2.121 179.406 177.300 -0.025 0.000 1.157 68 P CA 1.231 64.329 63.100 -0.004 0.000 0.863 68 P CB -0.256 31.438 31.700 -0.009 0.000 0.787 69 S N -0.910 114.772 115.700 -0.030 0.000 2.356 69 S HA -0.156 4.314 4.470 0.000 0.000 0.223 69 S C 2.003 176.576 174.600 -0.046 0.000 1.032 69 S CA 1.423 59.596 58.200 -0.046 0.000 1.005 69 S CB -1.129 62.051 63.200 -0.032 0.000 0.867 69 S HN 0.044 nan 8.310 nan 0.000 0.449 70 A N 1.254 124.056 122.820 -0.030 0.000 1.940 70 A HA 0.147 4.467 4.320 0.000 0.000 0.219 70 A C 2.415 179.988 177.584 -0.019 0.000 1.176 70 A CA 1.919 53.941 52.037 -0.026 0.000 0.631 70 A CB -1.274 17.705 19.000 -0.035 0.000 0.814 70 A HN 0.756 nan 8.150 nan 0.000 0.446 71 A N -0.298 122.521 122.820 -0.002 0.000 1.930 71 A HA -0.012 4.308 4.320 0.000 0.000 0.217 71 A C 2.096 179.690 177.584 0.017 0.000 1.175 71 A CA 1.357 53.413 52.037 0.031 0.000 0.627 71 A CB -0.519 18.570 19.000 0.149 0.000 0.815 71 A HN 0.495 nan 8.150 nan 0.000 0.443 72 I N -0.627 119.918 120.570 -0.041 0.000 2.179 72 I HA -0.209 3.961 4.170 0.000 0.000 0.242 72 I C 2.371 178.442 176.117 -0.077 0.000 1.088 72 I CA 1.108 62.335 61.300 -0.121 0.000 1.357 72 I CB -0.274 37.524 38.000 -0.337 0.000 1.051 72 I HN 0.156 nan 8.210 nan 0.000 0.409 73 V N 0.316 120.199 119.914 -0.051 0.000 2.261 73 V HA -0.250 3.870 4.120 0.000 0.000 0.246 73 V C 2.419 178.524 176.094 0.017 0.000 1.047 73 V CA 1.632 63.933 62.300 0.003 0.000 1.015 73 V CB -0.416 31.419 31.823 0.020 0.000 0.642 73 V HN 0.218 nan 8.190 nan 0.000 0.446 74 V N -0.294 119.624 119.914 0.008 0.000 2.255 74 V HA -0.247 3.873 4.120 0.000 0.000 0.247 74 V C 2.611 178.709 176.094 0.008 0.000 1.051 74 V CA 2.012 64.317 62.300 0.008 0.000 1.018 74 V CB -0.690 31.129 31.823 -0.007 0.000 0.641 74 V HN 0.555 nan 8.190 nan 0.000 0.445 75 E N -0.025 120.180 120.200 0.008 0.000 2.130 75 E HA -0.265 4.085 4.350 0.000 0.000 0.196 75 E C 2.166 178.779 176.600 0.021 0.000 0.998 75 E CA 1.656 58.068 56.400 0.020 0.000 0.806 75 E CB -0.166 29.564 29.700 0.049 0.000 0.738 75 E HN 0.722 nan 8.360 nan 0.000 0.459 76 E N -0.049 120.164 120.200 0.022 0.000 2.250 76 E HA 0.005 4.355 4.350 0.000 0.000 0.192 76 E C 2.288 178.897 176.600 0.014 0.000 0.986 76 E CA 0.010 56.425 56.400 0.025 0.000 0.849 76 E CB 0.086 29.812 29.700 0.043 0.000 0.797 76 E HN 0.177 nan 8.360 nan 0.000 0.482 77 L N 0.672 121.907 121.223 0.020 0.000 2.056 77 L HA -0.167 4.173 4.340 0.000 0.000 0.207 77 L C 2.393 179.263 176.870 -0.000 0.000 1.078 77 L CA 0.710 55.558 54.840 0.013 0.000 0.749 77 L CB -0.296 41.783 42.059 0.034 0.000 0.901 77 L HN 0.038 nan 8.230 nan 0.000 0.433 78 V N -0.126 119.791 119.914 0.006 0.000 2.287 78 V HA -0.299 3.821 4.120 0.000 0.000 0.248 78 V C 2.366 178.459 176.094 -0.002 0.000 1.053 78 V CA 1.820 64.121 62.300 0.003 0.000 1.027 78 V CB -0.725 31.100 31.823 0.003 0.000 0.646 78 V HN 0.443 nan 8.190 nan 0.000 0.447 79 R N -0.419 120.081 120.500 -0.000 0.000 2.316 79 R HA 0.087 4.427 4.340 0.000 0.000 0.202 79 R C 1.757 178.049 176.300 -0.013 0.000 1.029 79 R CA 0.674 56.773 56.100 -0.002 0.000 1.018 79 R CB -0.193 30.109 30.300 0.003 0.000 0.888 79 R HN 0.452 nan 8.270 nan 0.000 0.471 80 L N -1.219 119.990 121.223 -0.024 0.000 2.640 80 L HA 0.236 4.576 4.340 0.000 0.000 0.230 80 L C 1.144 177.984 176.870 -0.050 0.000 1.123 80 L CA 0.342 55.152 54.840 -0.049 0.000 0.900 80 L CB 0.752 42.761 42.059 -0.083 0.000 1.146 80 L HN 0.440 nan 8.230 nan 0.000 0.484 81 G N -0.354 108.429 108.800 -0.028 0.000 2.336 81 G HA2 -0.189 3.771 3.960 0.000 0.000 0.194 81 G HA3 -0.189 3.771 3.960 0.000 0.000 0.194 81 G C 0.477 175.372 174.900 -0.010 0.000 0.999 81 G CA -0.205 44.882 45.100 -0.021 0.000 0.669 81 G HN 0.345 nan 8.290 nan 0.000 0.482 82 A N 0.575 123.391 122.820 -0.007 0.000 2.565 82 A HA 0.590 4.910 4.320 0.000 0.000 0.237 82 A C 1.320 178.913 177.584 0.014 0.000 1.053 82 A CA 1.654 53.697 52.037 0.009 0.000 0.755 82 A CB 0.299 19.309 19.000 0.018 0.000 0.980 82 A HN 0.787 nan 8.150 nan 0.000 0.506 83 R N 1.068 121.580 120.500 0.021 0.000 2.646 83 R HA 0.234 4.574 4.340 0.000 0.000 0.226 83 R C -1.121 175.197 176.300 0.029 0.000 0.928 83 R CA 0.683 56.796 56.100 0.021 0.000 1.010 83 R CB 0.709 31.020 30.300 0.019 0.000 1.516 83 R HN 0.537 nan 8.270 nan 0.000 0.621 84 V N 3.432 123.367 119.914 0.035 0.000 2.357 84 V HA 0.426 4.546 4.120 0.000 0.000 0.281 84 V C -1.248 174.875 176.094 0.048 0.000 1.015 84 V CA -0.756 61.569 62.300 0.043 0.000 0.827 84 V CB 1.407 33.256 31.823 0.043 0.000 1.018 84 V HN 0.037 nan 8.190 nan 0.000 0.432 85 L N 5.702 126.958 121.223 0.055 0.000 2.319 85 L HA 0.702 5.042 4.340 0.000 0.000 0.281 85 L C -0.274 176.641 176.870 0.076 0.000 1.005 85 L CA -0.393 54.483 54.840 0.060 0.000 0.828 85 L CB 1.812 43.905 42.059 0.056 0.000 1.227 85 L HN 0.337 nan 8.230 nan 0.000 0.415 86 V N 3.117 123.070 119.914 0.065 0.000 2.448 86 V HA 0.481 4.601 4.120 0.000 0.000 0.295 86 V C 0.106 176.231 176.094 0.053 0.000 1.025 86 V CA -0.739 61.605 62.300 0.074 0.000 0.859 86 V CB 1.977 33.835 31.823 0.058 0.000 0.988 86 V HN 0.742 nan 8.190 nan 0.000 0.431 87 R N 4.160 124.696 120.500 0.060 0.000 2.267 87 R HA 0.500 4.840 4.340 0.000 0.000 0.319 87 R C -0.766 175.544 176.300 0.016 0.000 1.067 87 R CA -0.361 55.753 56.100 0.023 0.000 0.936 87 R CB 1.042 31.334 30.300 -0.013 0.000 1.006 87 R HN 0.613 nan 8.270 nan 0.000 0.452 88 V N 2.770 122.687 119.914 0.004 0.000 2.277 88 V HA 0.719 4.839 4.120 0.000 0.000 0.269 88 V C 0.381 176.473 176.094 -0.003 0.000 1.036 88 V CA -0.420 61.878 62.300 -0.002 0.000 0.821 88 V CB 0.702 32.517 31.823 -0.013 0.000 1.052 88 V HN 0.877 nan 8.190 nan 0.000 0.462 89 G N 3.155 111.950 108.800 -0.009 0.000 3.022 89 G HA2 0.853 4.813 3.960 0.000 0.000 0.284 89 G HA3 0.853 4.813 3.960 0.000 0.000 0.284 89 G C -0.492 174.400 174.900 -0.014 0.000 1.375 89 G CA -0.084 45.007 45.100 -0.015 0.000 0.902 89 G HN 0.849 nan 8.290 nan 0.000 0.538 90 T N -3.020 111.526 114.554 -0.013 0.000 2.930 90 T HA 0.870 5.220 4.350 0.000 0.000 0.290 90 T C -0.286 174.416 174.700 0.004 0.000 1.052 90 T CA -0.138 61.959 62.100 -0.006 0.000 1.017 90 T CB 1.927 70.791 68.868 -0.007 0.000 1.137 90 T HN 1.965 nan 8.240 nan 0.000 0.511 91 A N -0.075 122.752 122.820 0.012 0.000 2.610 91 A HA 0.865 5.185 4.320 0.000 0.000 0.291 91 A C -0.282 177.321 177.584 0.033 0.000 1.086 91 A CA -0.627 51.423 52.037 0.021 0.000 0.677 91 A CB 1.101 20.100 19.000 -0.002 0.000 1.278 91 A HN 1.423 nan 8.150 nan 0.000 0.414 92 G N 0.255 109.083 108.800 0.047 0.000 2.335 92 G HA2 0.688 4.648 3.960 0.000 0.000 0.316 92 G HA3 0.688 4.648 3.960 0.000 0.000 0.316 92 G C 0.193 175.144 174.900 0.085 0.000 1.129 92 G CA 0.304 45.431 45.100 0.044 0.000 0.899 92 G HN 1.701 nan 8.290 nan 0.000 0.448 93 A N 1.780 124.638 122.820 0.063 0.000 2.477 93 A HA 0.530 4.850 4.320 0.000 0.000 0.246 93 A C 1.678 179.337 177.584 0.125 0.000 1.078 93 A CA 0.467 52.548 52.037 0.073 0.000 0.770 93 A CB 0.551 19.578 19.000 0.045 0.000 1.011 93 A HN 1.598 nan 8.150 nan 0.000 0.494 94 A N 2.292 125.214 122.820 0.168 0.000 2.015 94 A HA 0.281 4.601 4.320 0.000 0.000 0.219 94 A C 1.421 179.097 177.584 0.153 0.000 1.163 94 A CA 1.688 53.880 52.037 0.259 0.000 0.646 94 A CB -0.498 18.669 19.000 0.279 0.000 0.806 94 A HN 1.644 nan 8.150 nan 0.000 0.448 95 S N -2.592 113.165 115.700 0.095 0.000 2.903 95 S HA 0.437 4.907 4.470 0.000 0.000 0.314 95 S C 0.716 175.341 174.600 0.042 0.000 1.177 95 S CA 0.284 58.522 58.200 0.063 0.000 0.859 95 S CB 0.852 64.085 63.200 0.056 0.000 1.265 95 S HN 0.656 nan 8.310 nan 0.000 0.584 96 S N -0.024 115.695 115.700 0.031 0.000 2.548 96 S HA 0.016 4.486 4.470 0.000 0.000 0.215 96 S C 0.987 175.599 174.600 0.020 0.000 0.976 96 S CA 0.579 58.793 58.200 0.023 0.000 0.908 96 S CB -0.734 62.477 63.200 0.018 0.000 0.781 96 S HN 0.810 nan 8.310 nan 0.000 0.519 97 D N 1.072 121.484 120.400 0.020 0.000 2.352 97 D HA 0.039 4.679 4.640 0.000 0.000 0.232 97 D C 0.234 176.542 176.300 0.014 0.000 1.055 97 D CA 0.062 54.071 54.000 0.015 0.000 0.891 97 D CB -0.022 40.786 40.800 0.013 0.000 0.897 97 D HN 0.395 nan 8.370 nan 0.000 0.529 98 L N 0.814 122.048 121.223 0.018 0.000 2.404 98 L HA 0.542 4.882 4.340 0.000 0.000 0.272 98 L C -0.415 176.467 176.870 0.019 0.000 0.980 98 L CA -0.717 54.133 54.840 0.017 0.000 0.836 98 L CB 1.983 44.051 42.059 0.016 0.000 1.238 98 L HN -0.062 nan 8.230 nan 0.000 0.408 99 A N 5.294 128.126 122.820 0.019 0.000 2.279 99 A HA 0.800 5.120 4.320 0.000 0.000 0.303 99 A C -2.558 175.037 177.584 0.018 0.000 1.108 99 A CA -1.623 50.426 52.037 0.019 0.000 0.830 99 A CB 0.377 19.389 19.000 0.020 0.000 1.106 99 A HN 0.417 nan 8.150 nan 0.000 0.493 100 P HA 0.284 nan 4.420 nan 0.000 0.264 100 P C 0.927 178.230 177.300 0.006 0.000 1.193 100 P CA 1.986 65.092 63.100 0.009 0.000 0.763 100 P CB 0.706 32.410 31.700 0.007 0.000 0.810 101 G N 1.694 110.494 108.800 0.000 0.000 2.194 101 G HA2 -0.229 3.731 3.960 0.000 0.000 0.236 101 G HA3 -0.229 3.731 3.960 0.000 0.000 0.236 101 G C 0.206 175.109 174.900 0.006 0.000 0.987 101 G CA -0.280 44.816 45.100 -0.007 0.000 0.635 101 G HN 0.565 nan 8.290 nan 0.000 0.520 102 E N 0.186 120.398 120.200 0.021 0.000 2.373 102 E HA 0.602 4.952 4.350 0.000 0.000 0.263 102 E C 0.558 177.184 176.600 0.044 0.000 1.073 102 E CA -0.532 55.893 56.400 0.042 0.000 0.894 102 E CB 0.411 30.135 29.700 0.039 0.000 1.008 102 E HN 0.319 nan 8.360 nan 0.000 0.420 103 L N 4.448 125.720 121.223 0.082 0.000 2.325 103 L HA 0.460 4.800 4.340 0.000 0.000 0.279 103 L C -0.227 176.695 176.870 0.086 0.000 1.054 103 L CA -0.636 54.254 54.840 0.084 0.000 0.804 103 L CB 0.984 43.111 42.059 0.113 0.000 1.200 103 L HN 0.487 nan 8.230 nan 0.000 0.436 104 I N 2.766 123.367 120.570 0.052 0.000 2.447 104 I HA 0.278 4.448 4.170 0.000 0.000 0.287 104 I C -0.628 175.514 176.117 0.041 0.000 1.023 104 I CA -0.727 60.591 61.300 0.030 0.000 1.083 104 I CB 2.303 40.304 38.000 0.002 0.000 1.245 104 I HN 0.180 nan 8.210 nan 0.000 0.434 105 V N 5.874 125.808 119.914 0.033 0.000 2.334 105 V HA 0.326 4.446 4.120 0.000 0.000 0.267 105 V C 0.789 176.964 176.094 0.135 0.000 1.040 105 V CA -0.632 61.714 62.300 0.076 0.000 0.866 105 V CB 1.204 33.021 31.823 -0.009 0.000 1.019 105 V HN 0.841 nan 8.190 nan 0.000 0.468 106 A N 4.130 127.053 122.820 0.173 0.000 2.496 106 A HA 0.103 4.423 4.320 0.000 0.000 0.278 106 A C 1.247 178.881 177.584 0.084 0.000 1.137 106 A CA 0.128 52.269 52.037 0.174 0.000 0.805 106 A CB 0.021 19.195 19.000 0.290 0.000 1.077 106 A HN 0.948 nan 8.150 nan 0.000 0.513 107 Q N 2.507 122.246 119.800 -0.101 0.000 2.187 107 Q HA 0.185 4.525 4.340 0.000 0.000 0.199 107 Q C 0.771 176.500 176.000 -0.451 0.000 0.957 107 Q CA 1.176 56.636 55.803 -0.571 0.000 0.857 107 Q CB 0.126 28.641 28.738 -0.371 0.000 0.929 107 Q HN 0.917 nan 8.270 nan 0.000 0.453 108 G N -0.921 107.801 108.800 -0.129 0.000 2.559 108 G HA2 0.607 4.567 3.960 0.000 0.000 0.291 108 G HA3 0.607 4.567 3.960 0.000 0.000 0.291 108 G C -2.021 172.954 174.900 0.126 0.000 1.424 108 G CA -0.237 44.860 45.100 -0.005 0.000 0.786 108 G HN 0.172 nan 8.290 nan 0.000 0.485 109 A N -0.124 122.777 122.820 0.135 0.000 2.353 109 A HA 0.671 4.991 4.320 0.000 0.000 0.299 109 A C -0.528 176.998 177.584 -0.097 0.000 1.089 109 A CA -0.500 51.515 52.037 -0.037 0.000 0.736 109 A CB 1.734 20.647 19.000 -0.144 0.000 1.195 109 A HN 1.316 nan 8.150 nan 0.000 0.447 110 V N 5.497 125.288 119.914 -0.205 0.000 2.397 110 V HA 0.194 4.314 4.120 0.000 0.000 0.262 110 V C -1.719 174.233 176.094 -0.236 0.000 1.047 110 V CA -0.822 61.332 62.300 -0.244 0.000 1.003 110 V CB 0.767 32.333 31.823 -0.427 0.000 1.037 110 V HN 0.771 nan 8.190 nan 0.000 0.480 111 P HA 0.099 nan 4.420 nan 0.000 0.264 111 P C 0.068 177.326 177.300 -0.069 0.000 1.537 111 P CA 0.279 63.338 63.100 -0.068 0.000 1.189 111 P CB 0.263 31.974 31.700 0.019 0.000 1.687 112 L N 2.459 123.619 121.223 -0.105 0.000 2.872 112 L HA 0.209 4.549 4.340 0.000 0.000 0.245 112 L C 1.090 177.949 176.870 -0.017 0.000 1.211 112 L CA -0.187 54.618 54.840 -0.058 0.000 1.013 112 L CB -0.115 41.880 42.059 -0.106 0.000 1.326 112 L HN 0.313 nan 8.230 nan 0.000 0.525 113 D N -1.025 119.365 120.400 -0.017 0.000 2.340 113 D HA 0.202 4.842 4.640 0.000 0.000 0.243 113 D C 0.805 177.113 176.300 0.015 0.000 0.988 113 D CA -0.456 53.544 54.000 -0.001 0.000 0.959 113 D CB 2.436 43.229 40.800 -0.012 0.000 1.226 113 D HN -0.037 nan 8.370 nan 0.000 0.509 114 G N -0.286 108.524 108.800 0.017 0.000 2.777 114 G HA2 -0.087 3.873 3.960 0.000 0.000 0.211 114 G HA3 -0.087 3.873 3.960 0.000 0.000 0.211 114 G C 1.207 176.121 174.900 0.023 0.000 1.149 114 G CA 0.405 45.516 45.100 0.018 0.000 0.785 114 G HN 0.540 nan 8.290 nan 0.000 0.536 115 T N 1.311 115.887 114.554 0.037 0.000 2.701 115 T HA -0.147 4.203 4.350 0.000 0.000 0.263 115 T C 2.890 177.691 174.700 0.168 0.000 1.040 115 T CA 2.110 64.258 62.100 0.081 0.000 1.147 115 T CB -0.549 68.376 68.868 0.094 0.000 0.865 115 T HN 0.515 nan 8.240 nan 0.000 0.426 116 T N 0.764 115.386 114.554 0.113 0.000 2.867 116 T HA -0.057 4.293 4.350 0.000 0.000 0.268 116 T C 1.967 176.720 174.700 0.088 0.000 1.057 116 T CA 0.888 63.050 62.100 0.103 0.000 1.136 116 T CB -0.239 68.654 68.868 0.041 0.000 0.874 116 T HN 0.270 nan 8.240 nan 0.000 0.466 117 R N 0.757 121.293 120.500 0.060 0.000 2.096 117 R HA -0.070 4.270 4.340 0.000 0.000 0.235 117 R C 2.723 179.039 176.300 0.028 0.000 1.127 117 R CA 1.510 57.634 56.100 0.040 0.000 0.968 117 R CB -0.287 30.030 30.300 0.029 0.000 0.861 117 R HN 0.601 nan 8.270 nan 0.000 0.440 118 Q N -0.850 118.958 119.800 0.013 0.000 2.123 118 Q HA -0.171 4.169 4.340 0.000 0.000 0.199 118 Q C 1.508 177.479 176.000 -0.050 0.000 0.966 118 Q CA 1.444 57.218 55.803 -0.048 0.000 0.845 118 Q CB -0.044 28.623 28.738 -0.118 0.000 0.907 118 Q HN 0.470 nan 8.270 nan 0.000 0.439 119 Y N -0.125 120.145 120.300 -0.051 0.000 2.293 119 Y HA -0.123 4.427 4.550 0.000 0.000 0.291 119 Y C 1.585 177.434 175.900 -0.085 0.000 1.137 119 Y CA 0.789 58.848 58.100 -0.068 0.000 1.202 119 Y CB 0.353 38.761 38.460 -0.087 0.000 0.990 119 Y HN 0.112 nan 8.280 nan 0.000 0.537 120 L N 0.027 121.293 121.223 0.073 0.000 2.611 120 L HA 0.034 4.374 4.340 0.000 0.000 0.229 120 L C 0.201 177.076 176.870 0.010 0.000 1.137 120 L CA 0.305 55.143 54.840 -0.003 0.000 0.901 120 L CB -0.249 41.787 42.059 -0.038 0.000 1.098 120 L HN 0.194 nan 8.230 nan 0.000 0.456 121 E N 0.195 120.403 120.200 0.012 0.000 2.328 121 E HA -0.305 4.045 4.350 0.000 0.000 0.233 121 E C 1.239 177.845 176.600 0.011 0.000 1.219 121 E CA 0.287 56.689 56.400 0.004 0.000 0.717 121 E CB -1.542 28.159 29.700 0.002 0.000 1.210 121 E HN 0.710 nan 8.360 nan 0.000 0.381 122 G N 0.040 108.850 108.800 0.017 0.000 2.184 122 G HA2 -0.396 3.564 3.960 0.000 0.000 0.264 122 G HA3 -0.396 3.564 3.960 0.000 0.000 0.264 122 G C 0.320 175.239 174.900 0.032 0.000 0.975 122 G CA 0.562 45.676 45.100 0.023 0.000 0.642 122 G HN 0.320 nan 8.290 nan 0.000 0.536 123 R N 0.871 121.391 120.500 0.033 0.000 2.490 123 R HA 0.396 4.736 4.340 0.000 0.000 0.280 123 R C -2.106 174.239 176.300 0.076 0.000 1.077 123 R CA -1.404 54.724 56.100 0.047 0.000 1.065 123 R CB 0.327 30.653 30.300 0.043 0.000 1.003 123 R HN 0.130 nan 8.270 nan 0.000 0.470 124 P HA -0.004 nan 4.420 nan 0.000 0.270 124 P C -1.387 176.025 177.300 0.188 0.000 1.223 124 P CA 0.270 63.429 63.100 0.099 0.000 0.785 124 P CB 0.373 32.109 31.700 0.060 0.000 0.923 125 Y N -0.005 120.295 120.300 -0.001 0.000 2.713 125 Y HA 0.539 5.089 4.550 0.000 0.000 0.335 125 Y C -1.666 174.228 175.900 -0.011 0.000 1.222 125 Y CA -1.044 57.054 58.100 -0.004 0.000 1.061 125 Y CB 0.983 39.443 38.460 0.001 0.000 1.314 125 Y HN 0.376 nan 8.280 nan 0.000 0.453 126 A N 4.106 126.431 122.820 -0.825 0.000 2.842 126 A HA 0.585 4.905 4.320 0.000 0.000 0.339 126 A C -2.970 174.285 177.584 -0.549 0.000 1.177 126 A CA -1.686 50.040 52.037 -0.518 0.000 0.797 126 A CB -0.191 18.567 19.000 -0.402 0.000 1.094 126 A HN 0.388 nan 8.150 nan 0.000 0.474 127 P HA 0.174 nan 4.420 nan 0.000 0.256 127 P C -0.244 177.159 177.300 0.171 0.000 1.189 127 P CA 0.642 63.864 63.100 0.203 0.000 0.808 127 P CB 0.342 32.216 31.700 0.290 0.000 0.793 128 V N 3.239 123.087 119.914 -0.109 0.000 2.914 128 V HA 0.714 4.834 4.120 0.000 0.000 0.314 128 V C -2.210 173.303 176.094 -0.969 0.000 1.084 128 V CA -2.927 59.060 62.300 -0.522 0.000 0.963 128 V CB 2.256 33.835 31.823 -0.408 0.000 1.025 128 V HN 0.224 nan 8.190 nan 0.000 0.432 129 P HA 0.171 nan 4.420 nan 0.000 0.293 129 P C -0.890 176.151 177.300 -0.432 0.000 1.298 129 P CA -0.027 62.410 63.100 -1.105 0.000 0.757 129 P CB 0.619 31.785 31.700 -0.890 0.000 1.262 130 D N -0.020 120.259 120.400 -0.203 0.000 2.325 130 D HA 0.076 4.716 4.640 0.000 0.000 0.251 130 D C -1.118 175.172 176.300 -0.017 0.000 1.196 130 D CA -2.020 51.934 54.000 -0.077 0.000 0.866 130 D CB 0.379 41.170 40.800 -0.014 0.000 1.101 130 D HN 0.088 nan 8.370 nan 0.000 0.476 131 P HA -0.280 nan 4.420 nan 0.000 0.217 131 P C 0.886 178.281 177.300 0.158 0.000 1.158 131 P CA 1.309 64.470 63.100 0.100 0.000 0.887 131 P CB 0.278 32.013 31.700 0.058 0.000 0.792 132 E N -0.144 120.108 120.200 0.086 0.000 2.033 132 E HA -0.127 4.223 4.350 0.000 0.000 0.199 132 E C 2.307 178.959 176.600 0.087 0.000 1.011 132 E CA 1.077 57.521 56.400 0.073 0.000 0.815 132 E CB -1.347 28.380 29.700 0.045 0.000 0.755 132 E HN 0.130 nan 8.360 nan 0.000 0.451 133 V N 1.553 121.520 119.914 0.088 0.000 2.392 133 V HA -0.251 3.869 4.120 0.000 0.000 0.249 133 V C 2.197 178.377 176.094 0.142 0.000 1.059 133 V CA 1.900 64.257 62.300 0.095 0.000 1.051 133 V CB -0.656 31.218 31.823 0.085 0.000 0.658 133 V HN 0.151 nan 8.190 nan 0.000 0.455 134 F N 1.434 121.393 119.950 0.015 0.000 2.102 134 F HA -0.182 4.345 4.527 0.000 0.000 0.298 134 F C 2.603 178.482 175.800 0.131 0.000 1.105 134 F CA 2.218 60.241 58.000 0.039 0.000 1.239 134 F CB -0.519 38.472 39.000 -0.015 0.000 0.991 134 F HN -0.048 nan 8.300 nan 0.000 0.474 135 R N 0.422 120.914 120.500 -0.013 0.000 2.096 135 R HA -0.205 4.135 4.340 0.000 0.000 0.240 135 R C 2.374 178.642 176.300 -0.054 0.000 1.139 135 R CA 1.604 57.654 56.100 -0.083 0.000 0.952 135 R CB -0.794 29.516 30.300 0.017 0.000 0.854 135 R HN 0.427 nan 8.270 nan 0.000 0.436 136 A N 1.225 124.043 122.820 -0.003 0.000 1.841 136 A HA -0.185 4.135 4.320 0.000 0.000 0.216 136 A C 2.251 179.848 177.584 0.021 0.000 1.199 136 A CA 1.582 53.625 52.037 0.011 0.000 0.621 136 A CB -0.869 18.149 19.000 0.031 0.000 0.835 136 A HN 0.378 nan 8.150 nan 0.000 0.445 137 L N -2.133 119.109 121.223 0.031 0.000 2.064 137 L HA -0.273 4.067 4.340 0.000 0.000 0.216 137 L C 2.632 179.544 176.870 0.070 0.000 1.077 137 L CA 1.853 56.719 54.840 0.044 0.000 0.766 137 L CB -0.485 41.612 42.059 0.062 0.000 0.890 137 L HN 0.766 nan 8.230 nan 0.000 0.435 138 W N 1.200 122.368 121.300 -0.220 0.000 2.388 138 W HA -0.127 4.533 4.660 0.000 0.000 0.294 138 W C 2.708 179.149 176.519 -0.131 0.000 1.212 138 W CA 1.250 58.476 57.345 -0.199 0.000 1.271 138 W CB -0.379 28.864 29.460 -0.362 0.000 1.126 138 W HN 0.054 nan 8.180 nan 0.000 0.535 139 R N -0.371 120.167 120.500 0.064 0.000 2.066 139 R HA -0.122 4.218 4.340 0.000 0.000 0.232 139 R C 2.198 178.489 176.300 -0.015 0.000 1.131 139 R CA 1.267 57.343 56.100 -0.039 0.000 0.955 139 R CB -0.475 29.784 30.300 -0.069 0.000 0.851 139 R HN -0.103 nan 8.270 nan 0.000 0.432 140 R N 0.611 121.114 120.500 0.005 0.000 2.120 140 R HA -0.009 4.331 4.340 0.000 0.000 0.234 140 R C 2.092 178.381 176.300 -0.019 0.000 1.123 140 R CA 1.333 57.435 56.100 0.003 0.000 0.975 140 R CB -0.805 29.514 30.300 0.032 0.000 0.866 140 R HN 0.255 nan 8.270 nan 0.000 0.446 141 A N 1.178 123.978 122.820 -0.034 0.000 1.898 141 A HA -0.158 4.162 4.320 0.000 0.000 0.216 141 A C 2.093 179.532 177.584 -0.242 0.000 1.181 141 A CA 1.305 53.240 52.037 -0.171 0.000 0.620 141 A CB -0.267 18.538 19.000 -0.326 0.000 0.819 141 A HN 0.336 nan 8.150 nan 0.000 0.442 142 E N -0.330 119.811 120.200 -0.098 0.000 2.015 142 E HA -0.050 4.300 4.350 0.000 0.000 0.191 142 E C 2.440 179.001 176.600 -0.065 0.000 0.991 142 E CA 0.799 57.184 56.400 -0.024 0.000 0.802 142 E CB -0.328 29.376 29.700 0.007 0.000 0.759 142 E HN 0.556 nan 8.360 nan 0.000 0.447 143 A N 1.692 124.472 122.820 -0.067 0.000 1.863 143 A HA -0.266 4.054 4.320 0.000 0.000 0.218 143 A C 2.229 179.740 177.584 -0.122 0.000 1.233 143 A CA 1.887 53.880 52.037 -0.073 0.000 0.655 143 A CB -1.229 17.741 19.000 -0.051 0.000 0.839 143 A HN 0.224 nan 8.150 nan 0.000 0.454 144 L N -1.284 119.838 121.223 -0.167 0.000 2.187 144 L HA -0.030 4.310 4.340 0.000 0.000 0.213 144 L C 1.752 178.302 176.870 -0.535 0.000 1.100 144 L CA 0.763 55.393 54.840 -0.350 0.000 0.765 144 L CB -1.181 40.660 42.059 -0.363 0.000 0.904 144 L HN 0.797 nan 8.230 nan 0.000 0.437 145 G N -0.831 107.767 108.800 -0.336 0.000 2.256 145 G HA2 -0.283 3.677 3.960 0.000 0.000 0.272 145 G HA3 -0.283 3.677 3.960 0.000 0.000 0.272 145 G C -0.359 174.445 174.900 -0.160 0.000 1.076 145 G CA -0.319 44.656 45.100 -0.209 0.000 0.882 145 G HN 0.222 nan 8.290 nan 0.000 0.497 146 Y N -0.770 119.541 120.300 0.017 0.000 2.352 146 Y HA 0.526 5.076 4.550 0.000 0.000 0.326 146 Y C -1.755 174.231 175.900 0.143 0.000 1.166 146 Y CA -2.925 55.208 58.100 0.055 0.000 1.182 146 Y CB 1.058 39.535 38.460 0.029 0.000 1.216 146 Y HN -0.006 nan 8.280 nan 0.000 0.474 147 P HA 0.048 nan 4.420 nan 0.000 0.261 147 P C -0.652 176.833 177.300 0.308 0.000 1.203 147 P CA 0.762 64.026 63.100 0.273 0.000 0.767 147 P CB 0.138 31.936 31.700 0.164 0.000 0.785 148 H N 2.428 121.551 119.070 0.088 0.000 3.220 148 H HA 0.696 5.252 4.556 0.000 0.000 0.299 148 H C -0.511 174.829 175.328 0.021 0.000 1.604 148 H CA -0.893 55.188 56.048 0.054 0.000 1.260 148 H CB 1.316 31.117 29.762 0.064 0.000 1.846 148 H HN 0.108 nan 8.280 nan 0.000 0.632 149 R N -0.355 120.092 120.500 -0.087 0.000 2.663 149 R HA 0.518 4.858 4.340 0.000 0.000 0.267 149 R C -1.519 174.669 176.300 -0.187 0.000 1.038 149 R CA -0.856 55.132 56.100 -0.187 0.000 0.886 149 R CB 2.393 32.639 30.300 -0.089 0.000 1.249 149 R HN 0.460 nan 8.270 nan 0.000 0.463 150 V N 0.990 120.735 119.914 -0.281 0.000 2.483 150 V HA 0.884 5.004 4.120 0.000 0.000 0.297 150 V C 0.363 176.340 176.094 -0.195 0.000 1.027 150 V CA -0.110 61.973 62.300 -0.362 0.000 0.855 150 V CB 1.588 32.846 31.823 -0.942 0.000 0.995 150 V HN 1.032 nan 8.190 nan 0.000 0.424 151 G N 3.737 112.476 108.800 -0.103 0.000 2.360 151 G HA2 0.328 4.288 3.960 0.000 0.000 0.276 151 G HA3 0.328 4.288 3.960 0.000 0.000 0.276 151 G C -1.691 173.166 174.900 -0.073 0.000 1.256 151 G CA -0.943 44.108 45.100 -0.082 0.000 0.890 151 G HN 0.539 nan 8.290 nan 0.000 0.486 152 L N 0.917 122.094 121.223 -0.076 0.000 2.350 152 L HA 0.638 4.978 4.340 0.000 0.000 0.275 152 L C 0.786 177.577 176.870 -0.131 0.000 1.099 152 L CA -0.808 53.975 54.840 -0.094 0.000 0.808 152 L CB 1.303 43.308 42.059 -0.090 0.000 1.149 152 L HN 0.661 nan 8.230 nan 0.000 0.442 153 V N -0.032 119.782 119.914 -0.168 0.000 3.158 153 V HA 0.987 5.107 4.120 0.000 0.000 0.315 153 V C -0.480 175.386 176.094 -0.380 0.000 1.148 153 V CA -0.833 61.313 62.300 -0.256 0.000 1.042 153 V CB 1.814 33.523 31.823 -0.189 0.000 1.101 153 V HN 0.803 nan 8.190 nan 0.000 0.448 154 A N 0.533 123.013 122.820 -0.567 0.000 2.359 154 A HA 0.789 5.109 4.320 0.000 0.000 0.303 154 A C -0.306 177.019 177.584 -0.433 0.000 1.066 154 A CA -0.435 51.211 52.037 -0.653 0.000 0.730 154 A CB 1.526 19.814 19.000 -1.188 0.000 1.211 154 A HN 0.943 nan 8.150 nan 0.000 0.439 155 S N 2.143 117.669 115.700 -0.291 0.000 2.430 155 S HA 0.425 4.895 4.470 0.000 0.000 0.289 155 S C 0.091 174.629 174.600 -0.104 0.000 1.143 155 S CA -0.482 57.617 58.200 -0.169 0.000 1.067 155 S CB 0.422 63.524 63.200 -0.164 0.000 0.964 155 S HN 0.786 nan 8.310 nan 0.000 0.485 156 E N 2.229 122.415 120.200 -0.024 0.000 2.281 156 E HA 0.523 4.873 4.350 0.000 0.000 0.257 156 E C -0.713 175.890 176.600 0.005 0.000 0.971 156 E CA -0.873 55.529 56.400 0.005 0.000 0.839 156 E CB 0.822 30.551 29.700 0.048 0.000 1.238 156 E HN 0.209 nan 8.360 nan 0.000 0.412 157 D N -0.236 120.173 120.400 0.015 0.000 2.716 157 D HA 0.151 4.791 4.640 0.000 0.000 0.273 157 D C 0.072 176.400 176.300 0.047 0.000 1.024 157 D CA 0.551 54.567 54.000 0.027 0.000 0.944 157 D CB 0.342 41.156 40.800 0.024 0.000 1.186 157 D HN 0.493 nan 8.370 nan 0.000 0.485 158 A N 0.973 123.819 122.820 0.043 0.000 2.923 158 A HA 0.214 4.534 4.320 0.000 0.000 0.306 158 A C 0.751 178.364 177.584 0.047 0.000 1.542 158 A CA -0.480 51.599 52.037 0.070 0.000 1.225 158 A CB -1.120 17.919 19.000 0.066 0.000 1.147 158 A HN 0.157 nan 8.150 nan 0.000 0.542 159 F N 1.969 121.853 119.950 -0.109 0.000 2.085 159 F HA -0.318 4.209 4.527 0.000 0.000 0.299 159 F C 1.288 176.917 175.800 -0.285 0.000 1.096 159 F CA 2.237 60.087 58.000 -0.250 0.000 1.227 159 F CB -0.150 38.606 39.000 -0.408 0.000 0.983 159 F HN 0.655 nan 8.300 nan 0.000 0.482 160 Y N -0.476 119.992 120.300 0.280 0.000 2.502 160 Y HA 0.203 4.753 4.550 0.000 0.000 0.295 160 Y C 1.918 177.828 175.900 0.016 0.000 1.193 160 Y CA -0.075 58.122 58.100 0.161 0.000 1.295 160 Y CB -0.387 38.183 38.460 0.184 0.000 1.059 160 Y HN 0.209 nan 8.280 nan 0.000 0.514 161 A N -0.615 122.250 122.820 0.075 0.000 1.871 161 A HA 0.000 4.320 4.320 0.000 0.000 0.211 161 A C 1.336 178.897 177.584 -0.039 0.000 1.207 161 A CA 0.447 52.503 52.037 0.030 0.000 0.620 161 A CB -0.694 18.322 19.000 0.027 0.000 0.860 161 A HN 0.142 nan 8.150 nan 0.000 0.450 162 T N 2.373 116.840 114.554 -0.145 0.000 2.871 162 T HA 0.330 4.680 4.350 0.000 0.000 0.296 162 T C 0.548 175.134 174.700 -0.189 0.000 0.998 162 T CA 0.846 62.811 62.100 -0.225 0.000 1.162 162 T CB 0.022 68.578 68.868 -0.520 0.000 0.947 162 T HN 0.636 nan 8.240 nan 0.000 0.536 163 T N 1.937 116.423 114.554 -0.114 0.000 2.927 163 T HA 0.394 4.744 4.350 0.000 0.000 0.281 163 T C -1.926 172.724 174.700 -0.085 0.000 0.998 163 T CA -2.244 59.811 62.100 -0.075 0.000 1.019 163 T CB 1.436 70.285 68.868 -0.032 0.000 1.061 163 T HN 0.100 nan 8.240 nan 0.000 0.518 164 P HA -0.043 nan 4.420 nan 0.000 0.216 164 P C 1.412 178.705 177.300 -0.012 0.000 1.150 164 P CA 0.892 63.969 63.100 -0.039 0.000 0.837 164 P CB 0.139 31.826 31.700 -0.021 0.000 0.786 165 E N -0.049 120.144 120.200 -0.011 0.000 2.077 165 E HA -0.213 4.137 4.350 0.000 0.000 0.193 165 E C 1.810 178.414 176.600 0.008 0.000 0.989 165 E CA 1.083 57.481 56.400 -0.003 0.000 0.800 165 E CB -0.153 29.541 29.700 -0.010 0.000 0.746 165 E HN 0.304 nan 8.360 nan 0.000 0.452 166 E N 0.117 120.323 120.200 0.010 0.000 2.072 166 E HA -0.181 4.169 4.350 0.000 0.000 0.191 166 E C 2.051 178.749 176.600 0.163 0.000 0.985 166 E CA 0.779 57.208 56.400 0.048 0.000 0.801 166 E CB -0.121 29.610 29.700 0.051 0.000 0.750 166 E HN 0.295 nan 8.360 nan 0.000 0.452 167 A N 1.847 124.730 122.820 0.105 0.000 1.865 167 A HA -0.217 4.103 4.320 0.000 0.000 0.217 167 A C 2.096 179.871 177.584 0.318 0.000 1.191 167 A CA 1.439 53.616 52.037 0.234 0.000 0.623 167 A CB -0.508 18.502 19.000 0.016 0.000 0.826 167 A HN 0.078 nan 8.150 nan 0.000 0.444 168 R N -0.624 119.969 120.500 0.154 0.000 2.127 168 R HA -0.146 4.194 4.340 0.000 0.000 0.238 168 R C 2.400 178.756 176.300 0.092 0.000 1.134 168 R CA 1.147 57.315 56.100 0.113 0.000 0.975 168 R CB -0.475 29.854 30.300 0.049 0.000 0.865 168 R HN 0.560 nan 8.270 nan 0.000 0.447 169 A N 0.184 123.041 122.820 0.062 0.000 1.873 169 A HA -0.167 4.153 4.320 0.000 0.000 0.215 169 A C 1.772 179.379 177.584 0.037 0.000 1.186 169 A CA 0.927 52.937 52.037 -0.045 0.000 0.616 169 A CB -0.858 18.066 19.000 -0.127 0.000 0.823 169 A HN 0.465 nan 8.150 nan 0.000 0.442 170 W N -0.186 121.239 121.300 0.209 0.000 2.364 170 W HA -0.088 4.572 4.660 0.000 0.000 0.281 170 W C 2.655 179.281 176.519 0.179 0.000 1.219 170 W CA 1.092 58.606 57.345 0.282 0.000 1.220 170 W CB 0.070 29.739 29.460 0.349 0.000 1.127 170 W HN 0.437 nan 8.180 nan 0.000 0.556 171 A N 0.366 123.390 122.820 0.340 0.000 1.898 171 A HA -0.164 4.156 4.320 0.000 0.000 0.216 171 A C 1.834 179.486 177.584 0.113 0.000 1.181 171 A CA 1.148 53.299 52.037 0.191 0.000 0.620 171 A CB -0.651 18.430 19.000 0.135 0.000 0.819 171 A HN 0.260 nan 8.150 nan 0.000 0.442 172 R N -1.951 118.565 120.500 0.027 0.000 2.357 172 R HA -0.057 4.283 4.340 0.000 0.000 0.202 172 R C 0.141 176.348 176.300 -0.155 0.000 1.047 172 R CA 0.648 56.683 56.100 -0.108 0.000 1.034 172 R CB -0.204 29.956 30.300 -0.234 0.000 0.875 172 R HN 0.660 nan 8.270 nan 0.000 0.473 173 Y N -1.342 119.008 120.300 0.082 0.000 2.557 173 Y HA 0.244 4.794 4.550 0.000 0.000 0.247 173 Y C 1.489 177.446 175.900 0.096 0.000 1.164 173 Y CA 0.097 58.256 58.100 0.098 0.000 1.218 173 Y CB 1.340 39.909 38.460 0.181 0.000 1.210 173 Y HN 0.207 nan 8.280 nan 0.000 0.529 174 G N -0.360 108.559 108.800 0.199 0.000 2.195 174 G HA2 -0.243 3.717 3.960 0.000 0.000 0.224 174 G HA3 -0.243 3.717 3.960 0.000 0.000 0.224 174 G C -0.167 174.770 174.900 0.061 0.000 0.990 174 G CA 0.041 45.206 45.100 0.108 0.000 0.639 174 G HN 0.031 nan 8.290 nan 0.000 0.514 175 V N 2.561 122.527 119.914 0.085 0.000 2.470 175 V HA 0.334 4.454 4.120 0.000 0.000 0.276 175 V C 1.865 177.934 176.094 -0.042 0.000 1.040 175 V CA 0.368 62.636 62.300 -0.055 0.000 1.008 175 V CB 1.243 32.949 31.823 -0.196 0.000 0.990 175 V HN 0.318 nan 8.190 nan 0.000 0.477 176 L N 3.998 125.174 121.223 -0.078 0.000 2.249 176 L HA 0.421 4.761 4.340 0.000 0.000 0.207 176 L C 0.938 177.785 176.870 -0.038 0.000 1.090 176 L CA 1.038 55.855 54.840 -0.039 0.000 0.802 176 L CB -0.123 41.910 42.059 -0.043 0.000 0.947 176 L HN 0.770 nan 8.230 nan 0.000 0.453 177 A N -1.155 121.591 122.820 -0.122 0.000 2.599 177 A HA 0.670 4.990 4.320 0.000 0.000 0.290 177 A C -1.847 175.581 177.584 -0.259 0.000 1.101 177 A CA -0.476 51.517 52.037 -0.072 0.000 0.674 177 A CB 0.886 19.873 19.000 -0.021 0.000 1.277 177 A HN -0.076 nan 8.150 nan 0.000 0.419 178 F N 0.641 120.521 119.950 -0.116 0.000 2.469 178 F HA 0.646 5.173 4.527 0.000 0.000 0.332 178 F C 0.568 176.286 175.800 -0.137 0.000 1.103 178 F CA 0.094 57.996 58.000 -0.162 0.000 0.979 178 F CB 2.262 41.140 39.000 -0.204 0.000 1.137 178 F HN 0.823 nan 8.300 nan 0.000 0.463 179 E N 0.762 120.961 120.200 -0.001 0.000 2.435 179 E HA 0.585 4.935 4.350 0.000 0.000 0.272 179 E C -1.248 175.334 176.600 -0.029 0.000 1.031 179 E CA -0.846 55.545 56.400 -0.015 0.000 0.872 179 E CB 1.425 31.091 29.700 -0.057 0.000 1.588 179 E HN 0.478 nan 8.360 nan 0.000 0.460 180 M N 0.257 119.838 119.600 -0.030 0.000 3.114 180 M HA 0.421 4.901 4.480 0.000 0.000 0.386 180 M C -0.724 175.536 176.300 -0.066 0.000 1.417 180 M CA 0.116 55.396 55.300 -0.033 0.000 0.785 180 M CB 0.578 33.187 32.600 0.015 0.000 1.413 180 M HN 0.597 nan 8.290 nan 0.000 0.498 181 E N 0.078 120.208 120.200 -0.117 0.000 3.151 181 E HA 0.314 4.664 4.350 0.000 0.000 0.246 181 E C 1.735 178.190 176.600 -0.241 0.000 1.150 181 E CA 0.714 57.030 56.400 -0.139 0.000 1.806 181 E CB -0.244 29.390 29.700 -0.110 0.000 2.295 181 E HN 0.278 nan 8.360 nan 0.000 1.000 182 A N 1.644 124.248 122.820 -0.359 0.000 1.883 182 A HA -0.411 3.909 4.320 0.000 0.000 0.232 182 A C 2.279 179.409 177.584 -0.758 0.000 1.671 182 A CA 3.987 55.580 52.037 -0.740 0.000 0.748 182 A CB -1.758 16.764 19.000 -0.797 0.000 0.850 182 A HN 0.425 nan 8.150 nan 0.000 0.488 183 S N 0.159 115.591 115.700 -0.447 0.000 2.393 183 S HA -0.237 4.233 4.470 0.000 0.000 0.235 183 S C 2.099 176.634 174.600 -0.109 0.000 1.061 183 S CA 2.922 60.997 58.200 -0.208 0.000 1.129 183 S CB -1.277 61.853 63.200 -0.116 0.000 1.011 183 S HN 1.620 nan 8.310 nan 0.000 0.436 184 A N 1.738 124.487 122.820 -0.118 0.000 1.898 184 A HA 0.123 4.443 4.320 0.000 0.000 0.216 184 A C 2.307 179.836 177.584 -0.092 0.000 1.181 184 A CA 1.579 53.564 52.037 -0.088 0.000 0.620 184 A CB -0.939 18.027 19.000 -0.056 0.000 0.819 184 A HN 0.608 nan 8.150 nan 0.000 0.442 185 L N -0.638 120.521 121.223 -0.106 0.000 2.012 185 L HA -0.134 4.206 4.340 0.000 0.000 0.210 185 L C 2.298 179.248 176.870 0.134 0.000 1.073 185 L CA 1.974 56.795 54.840 -0.031 0.000 0.748 185 L CB -0.813 41.202 42.059 -0.075 0.000 0.891 185 L HN 0.484 nan 8.230 nan 0.000 0.431 186 F N -1.589 118.344 119.950 -0.027 0.000 2.161 186 F HA -0.273 4.254 4.527 0.000 0.000 0.300 186 F C 2.331 178.145 175.800 0.023 0.000 1.089 186 F CA 0.690 58.689 58.000 -0.002 0.000 1.282 186 F CB -0.244 38.757 39.000 0.001 0.000 1.010 186 F HN 0.272 nan 8.300 nan 0.000 0.485 187 L N 0.757 122.094 121.223 0.190 0.000 1.973 187 L HA -0.175 4.165 4.340 0.000 0.000 0.208 187 L C 2.139 178.942 176.870 -0.112 0.000 1.073 187 L CA 1.629 56.475 54.840 0.010 0.000 0.746 187 L CB -0.932 41.034 42.059 -0.155 0.000 0.891 187 L HN 0.028 nan 8.230 nan 0.000 0.433 188 L N -0.300 120.809 121.223 -0.190 0.000 2.081 188 L HA -0.214 4.127 4.340 0.000 0.000 0.212 188 L C 2.529 179.348 176.870 -0.086 0.000 1.080 188 L CA 1.281 55.990 54.840 -0.219 0.000 0.754 188 L CB -1.648 40.277 42.059 -0.222 0.000 0.893 188 L HN 0.557 nan 8.230 nan 0.000 0.433 189 G N -0.102 108.694 108.800 -0.007 0.000 2.491 189 G HA2 -0.278 3.682 3.960 0.000 0.000 0.218 189 G HA3 -0.278 3.682 3.960 0.000 0.000 0.218 189 G C 1.728 176.633 174.900 0.008 0.000 1.180 189 G CA 0.526 45.641 45.100 0.024 0.000 0.774 189 G HN 0.182 nan 8.290 nan 0.000 0.562 190 R N -0.156 120.356 120.500 0.020 0.000 2.075 190 R HA 0.132 4.472 4.340 0.000 0.000 0.232 190 R C 2.739 179.032 176.300 -0.012 0.000 1.126 190 R CA 0.963 57.076 56.100 0.022 0.000 0.963 190 R CB -0.869 29.480 30.300 0.083 0.000 0.858 190 R HN 0.430 nan 8.270 nan 0.000 0.435 191 M N 0.492 120.058 119.600 -0.058 0.000 2.213 191 M HA -0.122 4.358 4.480 0.000 0.000 0.263 191 M C 0.654 176.925 176.300 -0.047 0.000 1.062 191 M CA 1.528 56.783 55.300 -0.075 0.000 1.105 191 M CB 0.088 32.598 32.600 -0.151 0.000 1.385 191 M HN -0.148 nan 8.290 nan 0.000 0.417 192 R N 0.251 120.726 120.500 -0.042 0.000 2.767 192 R HA 0.269 4.609 4.340 0.000 0.000 0.377 192 R C 0.118 176.412 176.300 -0.009 0.000 1.151 192 R CA -0.213 55.873 56.100 -0.023 0.000 1.046 192 R CB -0.665 29.619 30.300 -0.026 0.000 1.404 192 R HN 0.373 nan 8.270 nan 0.000 0.580 193 G N 1.518 110.315 108.800 -0.005 0.000 2.216 193 G HA2 -0.244 3.716 3.960 0.000 0.000 0.263 193 G HA3 -0.244 3.716 3.960 0.000 0.000 0.263 193 G C 0.205 175.108 174.900 0.006 0.000 0.837 193 G CA 0.956 46.058 45.100 0.002 0.000 1.227 193 G HN 0.318 nan 8.290 nan 0.000 0.407 194 V N -1.953 117.966 119.914 0.009 0.000 3.049 194 V HA 0.788 4.908 4.120 0.000 0.000 0.309 194 V C 0.035 176.141 176.094 0.021 0.000 1.148 194 V CA -2.021 60.288 62.300 0.015 0.000 0.990 194 V CB 1.885 33.718 31.823 0.017 0.000 1.039 194 V HN 0.426 nan 8.190 nan 0.000 0.430 195 R N 2.184 122.699 120.500 0.026 0.000 2.202 195 R HA 0.641 4.981 4.340 0.000 0.000 0.334 195 R C 0.074 176.402 176.300 0.046 0.000 1.036 195 R CA 0.062 56.179 56.100 0.028 0.000 0.878 195 R CB 1.409 31.727 30.300 0.030 0.000 1.067 195 R HN 1.048 nan 8.270 nan 0.000 0.457 196 T N -0.889 113.697 114.554 0.054 0.000 2.930 196 T HA 0.838 5.188 4.350 0.000 0.000 0.290 196 T C 0.167 174.943 174.700 0.128 0.000 1.052 196 T CA -0.884 61.282 62.100 0.110 0.000 1.017 196 T CB 2.409 71.388 68.868 0.184 0.000 1.137 196 T HN 0.613 nan 8.240 nan 0.000 0.511 197 G N -0.757 108.173 108.800 0.217 0.000 2.660 197 G HA2 0.775 4.735 3.960 0.000 0.000 0.290 197 G HA3 0.775 4.735 3.960 0.000 0.000 0.290 197 G C -1.736 173.364 174.900 0.333 0.000 1.432 197 G CA -0.584 44.675 45.100 0.264 0.000 0.807 197 G HN 1.225 nan 8.290 nan 0.000 0.485 198 A N 0.054 123.086 122.820 0.354 0.000 2.459 198 A HA 0.786 5.106 4.320 0.000 0.000 0.296 198 A C -1.393 176.287 177.584 0.159 0.000 1.039 198 A CA -0.492 51.675 52.037 0.215 0.000 0.698 198 A CB 1.449 20.533 19.000 0.140 0.000 1.261 198 A HN 1.400 nan 8.150 nan 0.000 0.405 199 I N 3.415 124.035 120.570 0.085 0.000 2.499 199 I HA 0.565 4.735 4.170 0.000 0.000 0.288 199 I C -1.705 174.428 176.117 0.027 0.000 1.048 199 I CA -0.931 60.406 61.300 0.062 0.000 1.062 199 I CB 1.217 39.249 38.000 0.053 0.000 1.238 199 I HN 0.502 nan 8.210 nan 0.000 0.426 200 L N 6.698 127.933 121.223 0.020 0.000 2.333 200 L HA 0.730 5.070 4.340 0.000 0.000 0.269 200 L C -0.077 176.796 176.870 0.005 0.000 1.010 200 L CA -0.812 54.029 54.840 0.002 0.000 0.818 200 L CB 1.449 43.502 42.059 -0.010 0.000 1.306 200 L HN 0.688 nan 8.230 nan 0.000 0.430 201 A N 1.978 124.796 122.820 -0.004 0.000 2.293 201 A HA 0.571 4.891 4.320 0.000 0.000 0.312 201 A C -0.201 177.380 177.584 -0.005 0.000 1.309 201 A CA -0.526 51.507 52.037 -0.007 0.000 0.839 201 A CB 0.729 19.715 19.000 -0.023 0.000 1.155 201 A HN 0.425 nan 8.150 nan 0.000 0.501 202 V N 3.131 123.047 119.914 0.003 0.000 2.625 202 V HA -0.031 4.089 4.120 0.000 0.000 0.305 202 V C 1.478 177.574 176.094 0.004 0.000 1.055 202 V CA 1.683 63.987 62.300 0.008 0.000 1.209 202 V CB 0.566 32.397 31.823 0.013 0.000 0.877 202 V HN 1.134 nan 8.190 nan 0.000 0.489 203 S N 3.269 118.975 115.700 0.009 0.000 2.578 203 S HA 0.254 4.724 4.470 0.000 0.000 0.231 203 S C 0.237 174.846 174.600 0.015 0.000 0.994 203 S CA -0.013 58.190 58.200 0.005 0.000 0.956 203 S CB -0.150 63.051 63.200 0.002 0.000 0.870 203 S HN 1.044 nan 8.310 nan 0.000 0.494 204 N N 0.349 119.061 118.700 0.021 0.000 4.574 204 N HA 0.031 4.771 4.740 0.000 0.000 0.208 204 N C -2.060 173.464 175.510 0.023 0.000 1.237 204 N CA -0.748 52.316 53.050 0.024 0.000 0.836 204 N CB 0.453 38.961 38.487 0.034 0.000 1.504 204 N HN 0.144 nan 8.380 nan 0.000 0.492 205 R N 0.774 121.285 120.500 0.020 0.000 2.255 205 R HA 0.423 4.763 4.340 0.000 0.000 0.326 205 R C 0.275 176.577 176.300 0.003 0.000 0.986 205 R CA -0.952 55.160 56.100 0.019 0.000 0.847 205 R CB 1.021 31.332 30.300 0.020 0.000 1.111 205 R HN 0.456 nan 8.270 nan 0.000 0.452 206 I N 2.895 123.457 120.570 -0.014 0.000 3.148 206 I HA -0.226 3.944 4.170 0.000 0.000 0.317 206 I C 1.395 177.481 176.117 -0.052 0.000 1.237 206 I CA 1.764 63.020 61.300 -0.074 0.000 1.423 206 I CB -0.366 37.557 38.000 -0.127 0.000 1.352 206 I HN 1.129 nan 8.210 nan 0.000 0.526 207 G N 5.073 113.846 108.800 -0.045 0.000 2.260 207 G HA2 -0.154 3.806 3.960 0.000 0.000 0.179 207 G HA3 -0.154 3.806 3.960 0.000 0.000 0.179 207 G C -0.014 174.897 174.900 0.017 0.000 1.002 207 G CA -0.496 44.596 45.100 -0.013 0.000 0.677 207 G HN 0.516 nan 8.290 nan 0.000 0.486 208 D N 1.142 121.557 120.400 0.025 0.000 2.304 208 D HA 0.471 5.111 4.640 0.000 0.000 0.247 208 D C -0.047 176.291 176.300 0.064 0.000 1.089 208 D CA -0.926 53.097 54.000 0.038 0.000 0.910 208 D CB 1.767 42.587 40.800 0.033 0.000 1.199 208 D HN 0.188 nan 8.370 nan 0.000 0.426 209 P HA -0.014 nan 4.420 nan 0.000 0.214 209 P C -0.335 177.006 177.300 0.068 0.000 1.162 209 P CA 0.813 63.953 63.100 0.066 0.000 0.871 209 P CB 0.752 32.477 31.700 0.041 0.000 0.783 210 E N -0.476 119.752 120.200 0.046 0.000 2.288 210 E HA 0.430 4.780 4.350 0.000 0.000 0.268 210 E C -0.247 176.370 176.600 0.029 0.000 0.885 210 E CA -0.912 55.509 56.400 0.035 0.000 0.767 210 E CB 2.031 31.743 29.700 0.020 0.000 1.220 210 E HN -0.028 nan 8.360 nan 0.000 0.427 211 L N 1.472 122.709 121.223 0.024 0.000 2.483 211 L HA 0.196 4.536 4.340 0.000 0.000 0.277 211 L C 0.765 177.639 176.870 0.006 0.000 1.248 211 L CA -0.222 54.627 54.840 0.016 0.000 0.825 211 L CB -0.050 42.013 42.059 0.006 0.000 1.096 211 L HN 0.630 nan 8.230 nan 0.000 0.512 212 A N 1.683 124.505 122.820 0.004 0.000 2.280 212 A HA 0.392 4.712 4.320 0.000 0.000 0.268 212 A C -2.114 175.465 177.584 -0.008 0.000 1.111 212 A CA -1.241 50.796 52.037 -0.000 0.000 0.814 212 A CB -0.794 18.207 19.000 0.002 0.000 1.093 212 A HN 0.585 nan 8.150 nan 0.000 0.498 213 P HA -0.063 nan 4.420 nan 0.000 0.243 213 P C -1.778 175.507 177.300 -0.024 0.000 1.107 213 P CA -0.239 62.853 63.100 -0.013 0.000 0.848 213 P CB 0.005 31.700 31.700 -0.008 0.000 0.771 214 P HA -0.237 nan 4.420 nan 0.000 0.218 214 P C 0.818 178.084 177.300 -0.058 0.000 1.146 214 P CA 1.607 64.678 63.100 -0.049 0.000 0.820 214 P CB 0.269 31.939 31.700 -0.049 0.000 0.778 215 E N -0.099 120.076 120.200 -0.041 0.000 2.107 215 E HA -0.078 4.272 4.350 0.000 0.000 0.191 215 E C 2.109 178.686 176.600 -0.037 0.000 0.982 215 E CA 0.798 57.175 56.400 -0.038 0.000 0.809 215 E CB -1.238 28.449 29.700 -0.021 0.000 0.756 215 E HN 0.136 nan 8.360 nan 0.000 0.459 216 V N 0.740 120.637 119.914 -0.029 0.000 2.871 216 V HA -0.081 4.039 4.120 0.000 0.000 0.256 216 V C 2.056 178.128 176.094 -0.037 0.000 1.082 216 V CA 1.010 63.295 62.300 -0.024 0.000 1.105 216 V CB -0.281 31.534 31.823 -0.012 0.000 0.713 216 V HN 0.223 nan 8.190 nan 0.000 0.473 217 L N -0.368 120.824 121.223 -0.051 0.000 2.249 217 L HA -0.043 4.297 4.340 0.000 0.000 0.207 217 L C 2.566 179.377 176.870 -0.099 0.000 1.090 217 L CA 0.894 55.696 54.840 -0.063 0.000 0.802 217 L CB -0.032 41.991 42.059 -0.060 0.000 0.947 217 L HN 0.343 nan 8.230 nan 0.000 0.453 218 Q N 0.514 120.241 119.800 -0.121 0.000 2.079 218 Q HA -0.282 4.058 4.340 0.000 0.000 0.200 218 Q C 1.864 177.782 176.000 -0.138 0.000 0.974 218 Q CA 2.078 57.767 55.803 -0.190 0.000 0.840 218 Q CB -0.079 28.540 28.738 -0.199 0.000 0.898 218 Q HN 0.376 nan 8.270 nan 0.000 0.430 219 E N -0.618 119.534 120.200 -0.079 0.000 2.072 219 E HA -0.063 4.287 4.350 0.000 0.000 0.191 219 E C 1.837 178.387 176.600 -0.084 0.000 0.985 219 E CA 1.696 58.066 56.400 -0.052 0.000 0.801 219 E CB -1.024 28.657 29.700 -0.032 0.000 0.750 219 E HN 0.440 nan 8.360 nan 0.000 0.452 220 G N 0.316 109.067 108.800 -0.082 0.000 2.446 220 G HA2 -0.254 3.706 3.960 0.000 0.000 0.217 220 G HA3 -0.254 3.706 3.960 0.000 0.000 0.217 220 G C 1.769 176.616 174.900 -0.088 0.000 1.168 220 G CA 1.230 46.277 45.100 -0.088 0.000 0.771 220 G HN 0.265 nan 8.290 nan 0.000 0.551 221 V N 0.634 120.499 119.914 -0.081 0.000 2.287 221 V HA -0.211 3.909 4.120 0.000 0.000 0.248 221 V C 2.809 178.921 176.094 0.031 0.000 1.053 221 V CA 2.273 64.538 62.300 -0.058 0.000 1.027 221 V CB -0.528 31.208 31.823 -0.145 0.000 0.646 221 V HN 0.393 nan 8.190 nan 0.000 0.447 222 R N -0.129 120.424 120.500 0.088 0.000 2.094 222 R HA -0.219 4.121 4.340 0.000 0.000 0.239 222 R C 2.588 178.945 176.300 0.094 0.000 1.137 222 R CA 2.095 58.378 56.100 0.305 0.000 0.943 222 R CB -0.253 30.241 30.300 0.324 0.000 0.850 222 R HN 0.448 nan 8.270 nan 0.000 0.433 223 R N 0.114 120.519 120.500 -0.158 0.000 2.096 223 R HA -0.213 4.127 4.340 0.000 0.000 0.240 223 R C 2.454 178.660 176.300 -0.157 0.000 1.139 223 R CA 2.240 58.065 56.100 -0.458 0.000 0.952 223 R CB -0.494 29.232 30.300 -0.957 0.000 0.854 223 R HN 0.376 nan 8.270 nan 0.000 0.436 224 M N 0.664 120.205 119.600 -0.098 0.000 2.082 224 M HA -0.202 4.278 4.480 0.000 0.000 0.258 224 M C 2.023 178.289 176.300 -0.056 0.000 1.071 224 M CA 1.886 57.161 55.300 -0.041 0.000 1.103 224 M CB -0.143 32.440 32.600 -0.029 0.000 1.307 224 M HN 0.017 nan 8.290 nan 0.000 0.409 225 V N 0.836 120.698 119.914 -0.087 0.000 2.380 225 V HA -0.297 3.823 4.120 0.000 0.000 0.251 225 V C 2.352 178.220 176.094 -0.378 0.000 1.063 225 V CA 2.413 64.558 62.300 -0.259 0.000 1.055 225 V CB -1.120 30.487 31.823 -0.359 0.000 0.657 225 V HN 0.636 nan 8.190 nan 0.000 0.455 226 E N 0.141 120.226 120.200 -0.192 0.000 2.006 226 E HA -0.187 4.163 4.350 0.000 0.000 0.192 226 E C 2.269 178.877 176.600 0.014 0.000 0.993 226 E CA 1.862 58.244 56.400 -0.029 0.000 0.808 226 E CB -0.104 29.741 29.700 0.242 0.000 0.764 226 E HN 0.355 nan 8.360 nan 0.000 0.449 227 V N 1.810 121.770 119.914 0.077 0.000 2.233 227 V HA -0.385 3.735 4.120 0.000 0.000 0.252 227 V C 2.565 178.670 176.094 0.019 0.000 1.063 227 V CA 2.309 64.653 62.300 0.073 0.000 1.032 227 V CB -1.172 30.697 31.823 0.076 0.000 0.645 227 V HN 0.521 nan 8.190 nan 0.000 0.446 228 A N -0.490 122.315 122.820 -0.026 0.000 1.873 228 A HA -0.251 4.069 4.320 0.000 0.000 0.218 228 A C 2.238 179.783 177.584 -0.065 0.000 1.193 228 A CA 2.424 54.436 52.037 -0.041 0.000 0.629 228 A CB -0.707 18.251 19.000 -0.069 0.000 0.826 228 A HN 0.522 nan 8.150 nan 0.000 0.447 229 L N -0.814 120.309 121.223 -0.167 0.000 2.083 229 L HA -0.177 4.163 4.340 0.000 0.000 0.209 229 L C 2.697 179.602 176.870 0.058 0.000 1.083 229 L CA 1.290 55.998 54.840 -0.220 0.000 0.752 229 L CB -0.453 41.187 42.059 -0.697 0.000 0.899 229 L HN 0.380 nan 8.230 nan 0.000 0.433 230 E N 0.008 120.275 120.200 0.112 0.000 2.072 230 E HA -0.159 4.191 4.350 0.000 0.000 0.191 230 E C 2.281 178.944 176.600 0.105 0.000 0.985 230 E CA 1.305 57.808 56.400 0.171 0.000 0.801 230 E CB -0.157 29.625 29.700 0.137 0.000 0.750 230 E HN 0.459 nan 8.360 nan 0.000 0.452 231 A N 1.228 124.088 122.820 0.067 0.000 1.969 231 A HA -0.115 4.205 4.320 0.000 0.000 0.218 231 A C 2.486 180.104 177.584 0.056 0.000 1.169 231 A CA 1.461 53.530 52.037 0.054 0.000 0.635 231 A CB -0.578 18.450 19.000 0.046 0.000 0.810 231 A HN 0.187 nan 8.150 nan 0.000 0.445 232 V N -2.630 117.319 119.914 0.058 0.000 2.667 232 V HA -0.113 4.007 4.120 0.000 0.000 0.252 232 V C 2.073 178.210 176.094 0.072 0.000 1.065 232 V CA 1.326 63.661 62.300 0.059 0.000 1.083 232 V CB -0.928 30.925 31.823 0.049 0.000 0.692 232 V HN 0.280 nan 8.190 nan 0.000 0.468 233 L N 0.283 121.562 121.223 0.094 0.000 2.395 233 L HA 0.070 4.410 4.340 0.000 0.000 0.218 233 L C 2.589 179.492 176.870 0.055 0.000 1.130 233 L CA 1.312 56.203 54.840 0.085 0.000 0.826 233 L CB -0.862 41.260 42.059 0.105 0.000 0.941 233 L HN 0.311 nan 8.230 nan 0.000 0.451 234 E N -0.311 119.919 120.200 0.050 0.000 2.152 234 E HA -0.038 4.312 4.350 0.000 0.000 0.192 234 E C 0.915 177.533 176.600 0.030 0.000 0.983 234 E CA 0.876 57.296 56.400 0.034 0.000 0.818 234 E CB -0.130 29.588 29.700 0.031 0.000 0.758 234 E HN 0.390 nan 8.360 nan 0.000 0.467 235 V N 0.000 119.936 119.914 0.036 0.000 2.409 235 V HA 0.000 4.120 4.120 0.000 0.000 0.244 235 V CA 0.000 62.320 62.300 0.033 0.000 1.235 235 V CB 0.000 31.845 31.823 0.037 0.000 1.184 235 V HN 0.000 nan 8.190 nan 0.000 0.556