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 1muc_1_A DATA FIRST_RESID 4 DATA SEQUENCE ALIERIDAII VDLPTIRXXX XXXXXXQQQT LVVLRVRCSD GVEGIGEATT DATA SEQUENCE IGGLAYGYES PEGIKANIDA HLAPALIGLA ADNINAAMLK LDKLAKGNTF DATA SEQUENCE AKSGIESALL DAQGKRLGLP VSELLGGRVR DSLEVAWTLA SGDTARDIAE DATA SEQUENCE ARHMLEIRRH RVFKLKIGAN PVEQDLKHVV TIKRELGDSA SVRVDVNQYW DATA SEQUENCE DESQAIRACQ VLGDNGIDLI EQPISRINRG GQVRLNQRTP APIMADESIE DATA SEQUENCE SVEDAFSLAA DGAASIFALK IAKNGGPRAV LRTAQIAEAA GIGLYGGTML DATA SEQUENCE EGSIGTLASA HAFLTLRQLT WGTELFGPLL LTEEIVNEPP QYRDFQLHIP DATA SEQUENCE RTPGLGLTLD EQRLARFAR 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.582 177.584 -0.003 0.000 1.274 4 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 4 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 5 L N 1.924 123.145 121.223 -0.003 0.000 2.330 5 L HA 0.639 4.983 4.340 0.007 0.000 0.271 5 L C 0.153 177.022 176.870 -0.002 0.000 1.013 5 L CA -0.610 54.229 54.840 -0.002 0.000 0.816 5 L CB 1.551 43.609 42.059 -0.002 0.000 1.287 5 L HN 0.671 nan 8.230 nan 0.000 0.435 6 I N 1.844 122.413 120.570 -0.002 0.000 2.452 6 I HA 0.066 4.240 4.170 0.007 0.000 0.287 6 I C 0.982 177.098 176.117 -0.001 0.000 1.079 6 I CA 0.261 61.560 61.300 -0.002 0.000 1.387 6 I CB 0.571 38.571 38.000 -0.000 0.000 1.404 6 I HN 0.715 nan 8.210 nan 0.000 0.522 7 E N 5.251 125.450 120.200 -0.001 0.000 2.206 7 E HA 0.164 4.518 4.350 0.007 0.000 0.195 7 E C 0.621 177.220 176.600 -0.001 0.000 0.935 7 E CA 0.215 56.615 56.400 -0.001 0.000 0.875 7 E CB 0.728 30.427 29.700 -0.002 0.000 0.841 7 E HN 0.487 nan 8.360 nan 0.000 0.477 8 R N 0.399 120.898 120.500 -0.001 0.000 2.643 8 R HA 0.467 4.810 4.340 0.007 0.000 0.269 8 R C -1.899 174.401 176.300 0.001 0.000 1.037 8 R CA -0.409 55.691 56.100 -0.000 0.000 0.894 8 R CB 1.383 31.683 30.300 -0.000 0.000 1.238 8 R HN -0.078 nan 8.270 nan 0.000 0.459 9 I N 2.841 123.412 120.570 0.003 0.000 2.534 9 I HA 0.346 4.520 4.170 0.007 0.000 0.288 9 I C -1.163 174.958 176.117 0.007 0.000 1.077 9 I CA -0.879 60.424 61.300 0.005 0.000 1.051 9 I CB 2.314 40.318 38.000 0.007 0.000 1.234 9 I HN 0.475 nan 8.210 nan 0.000 0.425 10 D N 5.328 125.733 120.400 0.009 0.000 2.481 10 D HA 0.611 5.255 4.640 0.007 0.000 0.244 10 D C -0.710 175.600 176.300 0.015 0.000 1.057 10 D CA -0.348 53.658 54.000 0.011 0.000 0.848 10 D CB 2.738 43.544 40.800 0.010 0.000 1.388 10 D HN 0.548 nan 8.370 nan 0.000 0.475 11 A N 2.417 125.247 122.820 0.018 0.000 2.285 11 A HA 0.622 4.946 4.320 0.007 0.000 0.310 11 A C -0.567 177.032 177.584 0.024 0.000 1.266 11 A CA -0.571 51.480 52.037 0.023 0.000 0.832 11 A CB 0.107 19.122 19.000 0.026 0.000 1.163 11 A HN 0.467 nan 8.150 nan 0.000 0.499 12 I N 3.106 123.693 120.570 0.028 0.000 2.406 12 I HA 0.361 4.535 4.170 0.007 0.000 0.290 12 I C -0.328 175.811 176.117 0.036 0.000 0.999 12 I CA -0.227 61.092 61.300 0.031 0.000 1.124 12 I CB 1.827 39.848 38.000 0.034 0.000 1.289 12 I HN 0.507 nan 8.210 nan 0.000 0.441 13 I N 6.654 127.246 120.570 0.037 0.000 2.325 13 I HA 0.345 4.519 4.170 0.007 0.000 0.291 13 I C -0.568 175.580 176.117 0.052 0.000 1.019 13 I CA -0.568 60.755 61.300 0.039 0.000 1.302 13 I CB 0.913 38.933 38.000 0.033 0.000 1.401 13 I HN 0.213 nan 8.210 nan 0.000 0.485 14 V N 5.211 125.157 119.914 0.053 0.000 2.540 14 V HA 0.368 4.492 4.120 0.007 0.000 0.302 14 V C -0.673 175.450 176.094 0.049 0.000 1.035 14 V CA -0.833 61.513 62.300 0.076 0.000 0.873 14 V CB 2.060 33.930 31.823 0.079 0.000 0.992 14 V HN 0.575 nan 8.190 nan 0.000 0.428 15 D N 5.029 125.471 120.400 0.069 0.000 2.381 15 D HA 0.584 5.227 4.640 0.007 0.000 0.235 15 D C -0.666 175.602 176.300 -0.054 0.000 1.068 15 D CA -0.099 53.916 54.000 0.025 0.000 0.832 15 D CB 2.470 43.303 40.800 0.055 0.000 1.101 15 D HN 0.321 nan 8.370 nan 0.000 0.515 16 L N 3.561 124.695 121.223 -0.149 0.000 2.334 16 L HA 0.433 4.777 4.340 0.007 0.000 0.276 16 L C -2.235 174.514 176.870 -0.201 0.000 1.014 16 L CA -1.983 52.654 54.840 -0.338 0.000 0.815 16 L CB 2.352 44.214 42.059 -0.329 0.000 1.268 16 L HN 0.058 nan 8.230 nan 0.000 0.428 17 P HA 0.140 nan 4.420 nan 0.000 0.275 17 P C -0.785 176.477 177.300 -0.063 0.000 1.228 17 P CA -0.177 62.873 63.100 -0.082 0.000 0.786 17 P CB 1.273 32.948 31.700 -0.041 0.000 0.927 18 T N -1.246 113.295 114.554 -0.020 0.000 2.942 18 T HA 0.447 4.801 4.350 0.007 0.000 0.289 18 T C 1.458 176.173 174.700 0.025 0.000 1.044 18 T CA -0.889 61.214 62.100 0.004 0.000 1.023 18 T CB 0.854 69.728 68.868 0.010 0.000 1.123 18 T HN 0.415 nan 8.240 nan 0.000 0.512 19 I N -2.185 118.414 120.570 0.049 0.000 2.676 19 I HA 0.235 4.409 4.170 0.007 0.000 0.259 19 I C 1.531 177.680 176.117 0.053 0.000 1.194 19 I CA -0.300 61.036 61.300 0.061 0.000 1.473 19 I CB -0.855 37.202 38.000 0.095 0.000 1.096 19 I HN 0.748 nan 8.210 nan 0.000 0.443 31 Q N 0.273 120.072 119.800 -0.001 0.000 2.353 31 Q HA 0.589 4.933 4.340 0.007 0.000 0.275 31 Q C -1.927 174.063 176.000 -0.016 0.000 1.029 31 Q CA -0.593 55.203 55.803 -0.010 0.000 0.848 31 Q CB 1.920 30.659 28.738 0.002 0.000 1.390 31 Q HN 0.021 nan 8.270 nan 0.000 0.401 32 Q N 1.175 120.958 119.800 -0.030 0.000 2.340 32 Q HA 0.497 4.841 4.340 0.007 0.000 0.268 32 Q C -1.633 174.352 176.000 -0.026 0.000 1.031 32 Q CA -0.184 55.602 55.803 -0.028 0.000 0.804 32 Q CB 2.342 31.061 28.738 -0.031 0.000 1.286 32 Q HN 0.591 nan 8.270 nan 0.000 0.448 33 T N 4.378 118.925 114.554 -0.012 0.000 2.795 33 T HA 0.660 5.013 4.350 0.007 0.000 0.282 33 T C -0.886 173.817 174.700 0.005 0.000 0.980 33 T CA -0.424 61.675 62.100 -0.000 0.000 1.012 33 T CB 0.458 69.330 68.868 0.007 0.000 0.936 33 T HN 0.404 nan 8.240 nan 0.000 0.457 34 L N 2.785 124.015 121.223 0.012 0.000 2.341 34 L HA 0.646 4.990 4.340 0.007 0.000 0.267 34 L C -0.430 176.458 176.870 0.031 0.000 1.009 34 L CA -0.894 53.959 54.840 0.022 0.000 0.819 34 L CB 2.003 44.071 42.059 0.014 0.000 1.323 34 L HN 0.366 nan 8.230 nan 0.000 0.425 35 V N 2.649 122.587 119.914 0.040 0.000 2.313 35 V HA 0.414 4.538 4.120 0.007 0.000 0.278 35 V C -0.255 175.861 176.094 0.037 0.000 1.017 35 V CA -0.721 61.603 62.300 0.040 0.000 0.823 35 V CB 1.596 33.447 31.823 0.047 0.000 1.010 35 V HN 0.448 nan 8.190 nan 0.000 0.443 36 V N 6.993 126.927 119.914 0.033 0.000 2.432 36 V HA 0.405 4.529 4.120 0.007 0.000 0.275 36 V C -0.072 176.036 176.094 0.024 0.000 1.043 36 V CA -0.336 61.980 62.300 0.028 0.000 0.925 36 V CB 1.455 33.296 31.823 0.031 0.000 0.985 36 V HN 0.585 nan 8.190 nan 0.000 0.466 37 L N 6.403 127.637 121.223 0.018 0.000 2.325 37 L HA 0.642 4.986 4.340 0.007 0.000 0.278 37 L C 0.165 177.041 176.870 0.009 0.000 1.023 37 L CA -0.155 54.694 54.840 0.015 0.000 0.811 37 L CB 1.635 43.702 42.059 0.014 0.000 1.249 37 L HN 0.529 nan 8.230 nan 0.000 0.431 38 R N 2.469 122.974 120.500 0.009 0.000 2.451 38 R HA 0.633 4.977 4.340 0.007 0.000 0.307 38 R C -1.553 174.749 176.300 0.003 0.000 0.965 38 R CA -0.714 55.389 56.100 0.005 0.000 0.865 38 R CB 2.025 32.329 30.300 0.007 0.000 1.174 38 R HN 0.264 nan 8.270 nan 0.000 0.455 39 V N 4.270 124.183 119.914 -0.001 0.000 2.357 39 V HA 0.391 4.515 4.120 0.007 0.000 0.284 39 V C 0.183 176.274 176.094 -0.004 0.000 1.018 39 V CA -0.731 61.568 62.300 -0.002 0.000 0.841 39 V CB 1.360 33.180 31.823 -0.004 0.000 0.991 39 V HN 0.604 nan 8.190 nan 0.000 0.437 40 R N 3.231 123.730 120.500 -0.002 0.000 2.294 40 R HA 0.604 4.948 4.340 0.007 0.000 0.319 40 R C -0.932 175.366 176.300 -0.003 0.000 0.984 40 R CA -0.431 55.667 56.100 -0.003 0.000 0.861 40 R CB 1.432 31.731 30.300 -0.002 0.000 1.104 40 R HN 0.649 nan 8.270 nan 0.000 0.451 41 C N 1.050 120.347 119.300 -0.005 0.000 2.397 41 C HA 0.155 4.619 4.460 0.007 0.000 0.343 41 C C 2.181 177.169 174.990 -0.004 0.000 1.188 41 C CA -0.617 58.398 59.018 -0.005 0.000 1.992 41 C CB 1.671 29.408 27.740 -0.006 0.000 2.358 41 C HN 1.010 nan 8.230 nan 0.000 0.518 42 S N 1.033 116.731 115.700 -0.003 0.000 2.420 42 S HA -0.218 4.256 4.470 0.007 0.000 0.237 42 S C 1.012 175.610 174.600 -0.003 0.000 1.023 42 S CA 2.064 60.262 58.200 -0.003 0.000 0.991 42 S CB -0.493 62.706 63.200 -0.002 0.000 0.792 42 S HN 0.913 nan 8.310 nan 0.000 0.488 43 D N 0.372 120.770 120.400 -0.004 0.000 2.324 43 D HA 0.232 4.876 4.640 0.007 0.000 0.235 43 D C 1.403 177.701 176.300 -0.004 0.000 1.095 43 D CA 0.568 54.566 54.000 -0.004 0.000 0.871 43 D CB -0.732 40.066 40.800 -0.004 0.000 0.906 43 D HN 0.620 nan 8.370 nan 0.000 0.522 44 G N -0.504 108.293 108.800 -0.004 0.000 2.179 44 G HA2 -0.273 3.691 3.960 0.007 0.000 0.260 44 G HA3 -0.273 3.691 3.960 0.007 0.000 0.260 44 G C 0.207 175.104 174.900 -0.005 0.000 0.977 44 G CA 0.276 45.373 45.100 -0.004 0.000 0.641 44 G HN 0.395 nan 8.290 nan 0.000 0.533 45 V N 0.899 120.809 119.914 -0.006 0.000 2.607 45 V HA 0.576 4.700 4.120 0.007 0.000 0.289 45 V C 0.488 176.576 176.094 -0.009 0.000 1.053 45 V CA -0.073 62.222 62.300 -0.008 0.000 0.996 45 V CB 1.799 33.616 31.823 -0.011 0.000 0.995 45 V HN 0.433 nan 8.190 nan 0.000 0.476 46 E N 2.377 122.571 120.200 -0.010 0.000 2.199 46 E HA 0.653 5.007 4.350 0.007 0.000 0.269 46 E C -0.334 176.257 176.600 -0.014 0.000 0.899 46 E CA -0.587 55.807 56.400 -0.009 0.000 0.772 46 E CB 2.006 31.702 29.700 -0.006 0.000 1.155 46 E HN 0.820 nan 8.360 nan 0.000 0.408 47 G N 3.697 112.487 108.800 -0.015 0.000 2.448 47 G HA2 0.594 4.558 3.960 0.007 0.000 0.324 47 G HA3 0.594 4.558 3.960 0.007 0.000 0.324 47 G C -0.544 174.345 174.900 -0.019 0.000 1.203 47 G CA -0.793 44.294 45.100 -0.023 0.000 0.954 47 G HN 0.597 nan 8.290 nan 0.000 0.480 48 I N -0.376 120.180 120.570 -0.024 0.000 2.569 48 I HA 0.960 5.134 4.170 0.007 0.000 0.296 48 I C 0.137 176.239 176.117 -0.024 0.000 1.028 48 I CA -1.080 60.210 61.300 -0.017 0.000 1.082 48 I CB 2.494 40.488 38.000 -0.011 0.000 1.264 48 I HN 0.677 nan 8.210 nan 0.000 0.429 49 G N 3.239 112.030 108.800 -0.014 0.000 2.725 49 G HA2 0.598 4.562 3.960 0.007 0.000 0.288 49 G HA3 0.598 4.562 3.960 0.007 0.000 0.288 49 G C -2.117 172.781 174.900 -0.004 0.000 1.399 49 G CA -0.575 44.515 45.100 -0.018 0.000 0.859 49 G HN 0.849 nan 8.290 nan 0.000 0.479 50 E N -0.850 119.347 120.200 -0.006 0.000 2.292 50 E HA 0.608 4.962 4.350 0.007 0.000 0.272 50 E C -1.150 175.465 176.600 0.024 0.000 0.881 50 E CA -1.067 55.339 56.400 0.010 0.000 0.754 50 E CB 2.097 31.798 29.700 0.002 0.000 1.201 50 E HN 0.759 nan 8.360 nan 0.000 0.425 51 A N 3.318 126.173 122.820 0.058 0.000 2.483 51 A HA 0.531 4.855 4.320 0.007 0.000 0.308 51 A C -0.904 176.770 177.584 0.150 0.000 1.291 51 A CA -0.432 51.678 52.037 0.122 0.000 0.774 51 A CB 1.321 20.403 19.000 0.136 0.000 1.134 51 A HN 0.438 nan 8.150 nan 0.000 0.471 52 T N 1.265 115.927 114.554 0.179 0.000 2.876 52 T HA 0.731 5.085 4.350 0.007 0.000 0.289 52 T C -0.136 174.718 174.700 0.256 0.000 1.014 52 T CA -0.304 61.885 62.100 0.148 0.000 0.986 52 T CB 1.801 70.707 68.868 0.064 0.000 1.021 52 T HN 0.689 nan 8.240 nan 0.000 0.458 53 T N 1.448 116.088 114.554 0.143 0.000 2.831 53 T HA 0.774 5.128 4.350 0.007 0.000 0.287 53 T C -1.314 173.389 174.700 0.004 0.000 1.070 53 T CA -0.703 61.475 62.100 0.130 0.000 1.010 53 T CB 0.774 69.563 68.868 -0.132 0.000 1.264 53 T HN 0.461 nan 8.240 nan 0.000 0.532 54 I N 1.512 122.053 120.570 -0.049 0.000 2.404 54 I HA 0.526 4.700 4.170 0.007 0.000 0.293 54 I C 1.120 177.220 176.117 -0.029 0.000 0.992 54 I CA -0.507 60.689 61.300 -0.173 0.000 1.149 54 I CB 1.577 39.236 38.000 -0.567 0.000 1.315 54 I HN 0.972 nan 8.210 nan 0.000 0.446 55 G N 4.471 113.273 108.800 0.003 0.000 2.350 55 G HA2 -0.028 3.936 3.960 0.007 0.000 0.298 55 G HA3 -0.028 3.936 3.960 0.007 0.000 0.298 55 G C 0.867 175.822 174.900 0.092 0.000 1.037 55 G CA 0.562 45.722 45.100 0.101 0.000 1.074 55 G HN 1.485 nan 8.290 nan 0.000 0.511 56 G N -0.742 108.077 108.800 0.032 0.000 2.815 56 G HA2 -0.225 3.739 3.960 0.007 0.000 0.326 56 G HA3 -0.225 3.739 3.960 0.007 0.000 0.326 56 G C 0.778 175.672 174.900 -0.011 0.000 1.191 56 G CA 0.951 46.056 45.100 0.009 0.000 0.965 56 G HN 1.349 nan 8.290 nan 0.000 0.564 57 L N 2.069 123.294 121.223 0.004 0.000 2.906 57 L HA 0.672 5.016 4.340 0.007 0.000 0.255 57 L C 2.731 179.591 176.870 -0.016 0.000 1.166 57 L CA 1.252 56.083 54.840 -0.016 0.000 0.977 57 L CB 0.053 42.110 42.059 -0.002 0.000 1.313 57 L HN 0.829 nan 8.230 nan 0.000 0.549 58 A N -1.306 121.528 122.820 0.023 0.000 2.014 58 A HA -0.106 4.218 4.320 0.007 0.000 0.218 58 A C 1.201 178.646 177.584 -0.233 0.000 1.163 58 A CA 1.276 53.276 52.037 -0.060 0.000 0.652 58 A CB -0.383 18.625 19.000 0.013 0.000 0.808 58 A HN 0.381 nan 8.150 nan 0.000 0.449 59 Y N -0.816 119.436 120.300 -0.080 0.000 2.681 59 Y HA 0.477 5.031 4.550 0.007 0.000 0.267 59 Y C 0.996 176.812 175.900 -0.139 0.000 1.166 59 Y CA -0.005 58.042 58.100 -0.089 0.000 1.209 59 Y CB 0.489 38.923 38.460 -0.044 0.000 1.161 59 Y HN 0.384 nan 8.280 nan 0.000 0.534 60 G N -2.169 106.550 108.800 -0.135 0.000 2.316 60 G HA2 0.067 4.031 3.960 0.007 0.000 0.296 60 G HA3 0.067 4.031 3.960 0.007 0.000 0.296 60 G C -0.861 173.864 174.900 -0.291 0.000 1.399 60 G CA -0.838 44.071 45.100 -0.319 0.000 0.833 60 G HN -0.115 nan 8.290 nan 0.000 0.565 61 Y N 0.163 120.403 120.300 -0.101 0.000 2.395 61 Y HA 0.202 4.755 4.550 0.005 0.000 0.293 61 Y C 1.531 177.348 175.900 -0.139 0.000 1.123 61 Y CA 0.721 58.768 58.100 -0.089 0.000 1.227 61 Y CB 0.118 38.554 38.460 -0.040 0.000 1.012 61 Y HN 0.418 nan 8.280 nan 0.000 0.552 62 E N 0.542 120.656 120.200 -0.142 0.000 2.156 62 E HA 0.376 4.730 4.350 0.007 0.000 0.279 62 E C -0.154 176.282 176.600 -0.272 0.000 0.965 62 E CA -0.473 55.802 56.400 -0.208 0.000 0.789 62 E CB 1.222 30.759 29.700 -0.271 0.000 1.098 62 E HN 0.103 nan 8.360 nan 0.000 0.397 63 S N 2.026 117.646 115.700 -0.133 0.000 2.718 63 S HA 0.392 4.866 4.470 0.007 0.000 0.300 63 S C -2.079 172.481 174.600 -0.067 0.000 1.117 63 S CA -1.479 56.663 58.200 -0.098 0.000 1.002 63 S CB 1.720 64.894 63.200 -0.044 0.000 1.092 63 S HN 0.131 nan 8.310 nan 0.000 0.542 64 P HA -0.046 nan 4.420 nan 0.000 0.215 64 P C 0.915 178.216 177.300 0.002 0.000 1.153 64 P CA 1.229 64.323 63.100 -0.009 0.000 0.853 64 P CB 0.013 31.713 31.700 0.001 0.000 0.788 65 E N -0.737 119.463 120.200 0.001 0.000 2.072 65 E HA -0.078 4.276 4.350 0.007 0.000 0.191 65 E C 2.283 178.890 176.600 0.012 0.000 0.985 65 E CA 1.540 57.945 56.400 0.009 0.000 0.801 65 E CB -1.358 28.347 29.700 0.008 0.000 0.750 65 E HN 0.207 nan 8.360 nan 0.000 0.452 66 G N 0.509 109.312 108.800 0.005 0.000 2.408 66 G HA2 -0.196 3.768 3.960 0.007 0.000 0.217 66 G HA3 -0.196 3.768 3.960 0.007 0.000 0.217 66 G C 1.624 176.538 174.900 0.023 0.000 1.150 66 G CA 0.556 45.663 45.100 0.012 0.000 0.776 66 G HN 0.148 nan 8.290 nan 0.000 0.542 67 I N 0.521 121.100 120.570 0.016 0.000 2.142 67 I HA -0.171 4.003 4.170 0.007 0.000 0.240 67 I C 2.693 178.836 176.117 0.044 0.000 1.078 67 I CA 1.667 62.988 61.300 0.036 0.000 1.343 67 I CB -0.167 37.856 38.000 0.038 0.000 1.046 67 I HN 0.170 nan 8.210 nan 0.000 0.405 68 K N 1.359 121.780 120.400 0.035 0.000 2.057 68 K HA -0.188 4.136 4.320 0.007 0.000 0.207 68 K C 2.170 178.791 176.600 0.035 0.000 1.049 68 K CA 1.540 57.847 56.287 0.033 0.000 0.931 68 K CB -0.141 32.375 32.500 0.026 0.000 0.714 68 K HN 0.287 nan 8.250 nan 0.000 0.440 69 A N 1.449 124.291 122.820 0.037 0.000 1.902 69 A HA -0.169 4.155 4.320 0.007 0.000 0.217 69 A C 1.837 179.466 177.584 0.075 0.000 1.181 69 A CA 1.716 53.779 52.037 0.044 0.000 0.623 69 A CB -0.580 18.446 19.000 0.044 0.000 0.818 69 A HN 0.404 nan 8.150 nan 0.000 0.443 70 N N -0.174 118.585 118.700 0.098 0.000 2.250 70 N HA -0.009 4.735 4.740 0.007 0.000 0.181 70 N C 1.713 177.301 175.510 0.131 0.000 1.017 70 N CA 1.168 54.316 53.050 0.163 0.000 0.866 70 N CB -0.283 38.274 38.487 0.117 0.000 0.985 70 N HN 0.540 nan 8.380 nan 0.000 0.429 71 I N 1.387 122.004 120.570 0.079 0.000 2.179 71 I HA -0.243 3.931 4.170 0.007 0.000 0.242 71 I C 1.583 177.721 176.117 0.034 0.000 1.088 71 I CA 1.183 62.518 61.300 0.059 0.000 1.357 71 I CB -0.151 37.876 38.000 0.046 0.000 1.051 71 I HN -0.035 nan 8.210 nan 0.000 0.409 72 D N 0.934 121.345 120.400 0.019 0.000 2.117 72 D HA -0.130 4.514 4.640 0.007 0.000 0.197 72 D C 2.138 178.405 176.300 -0.056 0.000 0.987 72 D CA 1.655 55.648 54.000 -0.010 0.000 0.829 72 D CB -0.119 40.676 40.800 -0.009 0.000 0.961 72 D HN 0.353 nan 8.370 nan 0.000 0.460 73 A N -0.523 122.241 122.820 -0.093 0.000 2.030 73 A HA -0.056 4.268 4.320 0.007 0.000 0.215 73 A C 1.597 178.864 177.584 -0.529 0.000 1.164 73 A CA 0.959 52.816 52.037 -0.300 0.000 0.697 73 A CB -0.084 18.706 19.000 -0.351 0.000 0.827 73 A HN 0.271 nan 8.150 nan 0.000 0.457 74 H N -1.585 117.491 119.070 0.009 0.000 2.176 74 H HA 0.247 4.807 4.556 0.007 0.000 0.228 74 H C 1.945 177.279 175.328 0.010 0.000 0.879 74 H CA 0.544 56.597 56.048 0.008 0.000 1.027 74 H CB -0.146 29.621 29.762 0.009 0.000 1.356 74 H HN 0.287 nan 8.280 nan 0.000 0.425 75 L N 0.893 122.200 121.223 0.140 0.000 2.005 75 L HA -0.025 4.319 4.340 0.007 0.000 0.207 75 L C 2.901 179.800 176.870 0.047 0.000 1.072 75 L CA 1.249 56.138 54.840 0.082 0.000 0.744 75 L CB -0.684 41.418 42.059 0.072 0.000 0.895 75 L HN 0.160 nan 8.230 nan 0.000 0.433 76 A N 0.961 123.801 122.820 0.033 0.000 1.865 76 A HA -0.131 4.193 4.320 0.007 0.000 0.217 76 A C 0.094 177.684 177.584 0.010 0.000 1.191 76 A CA 1.938 53.985 52.037 0.017 0.000 0.623 76 A CB -2.010 16.996 19.000 0.010 0.000 0.826 76 A HN 0.328 nan 8.150 nan 0.000 0.444 77 P HA -0.126 nan 4.420 nan 0.000 0.221 77 P C 1.262 178.566 177.300 0.007 0.000 1.145 77 P CA 1.745 64.842 63.100 -0.004 0.000 0.795 77 P CB -0.144 31.542 31.700 -0.022 0.000 0.775 78 A N -0.626 122.205 122.820 0.019 0.000 2.119 78 A HA 0.025 4.349 4.320 0.007 0.000 0.216 78 A C 2.199 179.793 177.584 0.016 0.000 1.152 78 A CA 0.750 52.800 52.037 0.022 0.000 0.708 78 A CB -1.024 17.996 19.000 0.034 0.000 0.805 78 A HN 0.169 nan 8.150 nan 0.000 0.460 79 L N -0.114 121.117 121.223 0.014 0.000 2.515 79 L HA 0.179 4.523 4.340 0.007 0.000 0.223 79 L C -0.097 176.777 176.870 0.006 0.000 1.079 79 L CA -0.374 54.472 54.840 0.010 0.000 0.857 79 L CB -0.100 41.965 42.059 0.011 0.000 1.050 79 L HN 0.159 nan 8.230 nan 0.000 0.476 80 I N 1.671 122.244 120.570 0.004 0.000 2.741 80 I HA 0.041 4.215 4.170 0.007 0.000 0.288 80 I C 1.449 177.567 176.117 0.002 0.000 1.192 80 I CA 1.213 62.514 61.300 0.002 0.000 1.426 80 I CB -0.347 37.653 38.000 -0.000 0.000 1.367 80 I HN 0.410 nan 8.210 nan 0.000 0.563 81 G N 5.411 114.211 108.800 0.001 0.000 2.213 81 G HA2 -0.198 3.766 3.960 0.007 0.000 0.236 81 G HA3 -0.198 3.766 3.960 0.007 0.000 0.236 81 G C 0.248 175.149 174.900 0.001 0.000 0.991 81 G CA -0.404 44.697 45.100 0.001 0.000 0.629 81 G HN 0.456 nan 8.290 nan 0.000 0.517 82 L N 1.113 122.337 121.223 0.002 0.000 2.439 82 L HA 0.692 5.036 4.340 0.007 0.000 0.259 82 L C 1.318 178.188 176.870 0.000 0.000 1.129 82 L CA -0.437 54.404 54.840 0.002 0.000 0.803 82 L CB 1.147 43.208 42.059 0.003 0.000 1.161 82 L HN 0.315 nan 8.230 nan 0.000 0.462 83 A N 1.015 123.835 122.820 -0.000 0.000 2.492 83 A HA 0.370 4.694 4.320 0.007 0.000 0.254 83 A C 0.948 178.530 177.584 -0.002 0.000 1.091 83 A CA 0.347 52.383 52.037 -0.001 0.000 0.768 83 A CB 0.568 19.567 19.000 -0.001 0.000 1.028 83 A HN 0.921 nan 8.150 nan 0.000 0.498 84 A N 2.274 125.092 122.820 -0.004 0.000 2.066 84 A HA -0.033 4.291 4.320 0.007 0.000 0.218 84 A C 1.263 178.843 177.584 -0.007 0.000 1.157 84 A CA 1.556 53.590 52.037 -0.005 0.000 0.670 84 A CB -0.328 18.669 19.000 -0.006 0.000 0.804 84 A HN 0.840 nan 8.150 nan 0.000 0.453 85 D N -1.141 119.255 120.400 -0.006 0.000 2.328 85 D HA 0.000 4.644 4.640 0.007 0.000 0.221 85 D C 0.242 176.538 176.300 -0.005 0.000 1.072 85 D CA -0.023 53.973 54.000 -0.007 0.000 0.850 85 D CB -0.378 40.419 40.800 -0.006 0.000 0.922 85 D HN 0.221 nan 8.370 nan 0.000 0.516 86 N N 1.103 119.801 118.700 -0.004 0.000 2.976 86 N HA 0.186 4.930 4.740 0.007 0.000 0.255 86 N C 0.664 176.173 175.510 -0.003 0.000 1.312 86 N CA -0.360 52.688 53.050 -0.003 0.000 0.897 86 N CB 0.193 38.680 38.487 -0.001 0.000 1.184 86 N HN 0.049 nan 8.380 nan 0.000 0.497 87 I N 0.695 121.263 120.570 -0.004 0.000 2.286 87 I HA -0.234 3.940 4.170 0.007 0.000 0.248 87 I C 2.022 178.138 176.117 -0.002 0.000 1.115 87 I CA 0.677 61.974 61.300 -0.005 0.000 1.392 87 I CB -0.095 37.900 38.000 -0.009 0.000 1.065 87 I HN 0.388 nan 8.210 nan 0.000 0.418 88 N N 1.566 120.265 118.700 -0.001 0.000 2.120 88 N HA -0.159 4.585 4.740 0.007 0.000 0.188 88 N C 1.838 177.348 175.510 0.002 0.000 1.024 88 N CA 1.847 54.898 53.050 0.001 0.000 0.852 88 N CB -0.105 38.383 38.487 0.001 0.000 1.003 88 N HN 0.308 nan 8.380 nan 0.000 0.424 89 A N 0.123 122.944 122.820 0.001 0.000 1.930 89 A HA 0.120 4.443 4.320 0.007 0.000 0.217 89 A C 2.333 179.920 177.584 0.003 0.000 1.175 89 A CA 1.800 53.838 52.037 0.002 0.000 0.627 89 A CB -1.146 17.855 19.000 0.002 0.000 0.815 89 A HN 0.453 nan 8.150 nan 0.000 0.443 90 A N -0.780 122.042 122.820 0.003 0.000 1.873 90 A HA -0.079 4.245 4.320 0.007 0.000 0.215 90 A C 2.131 179.719 177.584 0.007 0.000 1.186 90 A CA 1.953 53.993 52.037 0.005 0.000 0.616 90 A CB -0.450 18.552 19.000 0.003 0.000 0.823 90 A HN 0.408 nan 8.150 nan 0.000 0.442 91 M N -0.319 119.284 119.600 0.005 0.000 2.175 91 M HA 0.037 4.521 4.480 0.007 0.000 0.264 91 M C 2.067 178.372 176.300 0.008 0.000 1.063 91 M CA 1.020 56.325 55.300 0.007 0.000 1.119 91 M CB -1.460 31.143 32.600 0.005 0.000 1.377 91 M HN 0.356 nan 8.290 nan 0.000 0.415 92 L N -0.300 120.927 121.223 0.006 0.000 2.141 92 L HA -0.200 4.144 4.340 0.007 0.000 0.209 92 L C 2.575 179.449 176.870 0.007 0.000 1.094 92 L CA 1.072 55.915 54.840 0.006 0.000 0.763 92 L CB -0.580 41.481 42.059 0.004 0.000 0.908 92 L HN 0.341 nan 8.230 nan 0.000 0.437 93 K N 0.680 121.085 120.400 0.008 0.000 2.097 93 K HA -0.151 4.173 4.320 0.007 0.000 0.205 93 K C 2.113 178.721 176.600 0.014 0.000 1.050 93 K CA 1.077 57.370 56.287 0.010 0.000 0.938 93 K CB 0.018 32.525 32.500 0.011 0.000 0.718 93 K HN 0.246 nan 8.250 nan 0.000 0.442 94 L N 0.864 122.096 121.223 0.016 0.000 2.083 94 L HA -0.190 4.154 4.340 0.007 0.000 0.209 94 L C 1.883 178.763 176.870 0.017 0.000 1.083 94 L CA 1.067 55.919 54.840 0.020 0.000 0.752 94 L CB -0.487 41.586 42.059 0.023 0.000 0.899 94 L HN 0.212 nan 8.230 nan 0.000 0.433 95 D N 0.130 120.538 120.400 0.013 0.000 2.144 95 D HA -0.185 4.459 4.640 0.007 0.000 0.199 95 D C 2.135 178.438 176.300 0.006 0.000 0.984 95 D CA 1.024 55.030 54.000 0.010 0.000 0.834 95 D CB -0.003 40.803 40.800 0.009 0.000 0.955 95 D HN 0.225 nan 8.370 nan 0.000 0.465 96 K N 0.443 120.846 120.400 0.006 0.000 2.097 96 K HA -0.053 4.271 4.320 0.007 0.000 0.205 96 K C 1.997 178.598 176.600 0.002 0.000 1.050 96 K CA 0.659 56.948 56.287 0.003 0.000 0.938 96 K CB 0.022 32.525 32.500 0.005 0.000 0.718 96 K HN 0.153 nan 8.250 nan 0.000 0.442 97 L N 0.102 121.329 121.223 0.006 0.000 2.307 97 L HA 0.161 4.505 4.340 0.007 0.000 0.211 97 L C 0.720 177.585 176.870 -0.008 0.000 1.099 97 L CA -0.022 54.822 54.840 0.006 0.000 0.816 97 L CB 0.297 42.370 42.059 0.022 0.000 0.952 97 L HN 0.067 nan 8.230 nan 0.000 0.455 98 A N 0.058 122.875 122.820 -0.005 0.000 2.343 98 A HA 0.562 4.886 4.320 0.007 0.000 0.308 98 A C -0.770 176.808 177.584 -0.009 0.000 1.092 98 A CA -0.679 51.349 52.037 -0.016 0.000 0.751 98 A CB 1.050 20.049 19.000 -0.001 0.000 1.203 98 A HN -0.173 nan 8.150 nan 0.000 0.452 99 K N 1.478 121.865 120.400 -0.022 0.000 2.205 99 K HA 0.567 4.891 4.320 0.007 0.000 0.279 99 K C 1.141 177.741 176.600 0.001 0.000 1.027 99 K CA 1.019 57.298 56.287 -0.014 0.000 0.932 99 K CB 1.073 33.555 32.500 -0.031 0.000 1.032 99 K HN 1.605 nan 8.250 nan 0.000 0.466 100 G N 3.250 112.065 108.800 0.025 0.000 2.574 100 G HA2 -0.385 3.579 3.960 0.007 0.000 0.286 100 G HA3 -0.385 3.579 3.960 0.007 0.000 0.286 100 G C -0.188 174.762 174.900 0.084 0.000 1.212 100 G CA 0.259 45.398 45.100 0.066 0.000 0.979 100 G HN 0.805 nan 8.290 nan 0.000 0.557 101 N N -0.189 118.584 118.700 0.122 0.000 2.738 101 N HA -0.237 4.507 4.740 0.007 0.000 0.249 101 N C 1.489 177.094 175.510 0.158 0.000 1.047 101 N CA 1.994 55.124 53.050 0.134 0.000 0.707 101 N CB -1.409 37.125 38.487 0.078 0.000 0.937 101 N HN 1.549 nan 8.380 nan 0.000 0.545 102 T N -3.590 111.086 114.554 0.203 0.000 2.867 102 T HA -0.066 4.288 4.350 0.007 0.000 0.268 102 T C 1.597 176.367 174.700 0.117 0.000 1.057 102 T CA 0.829 63.008 62.100 0.131 0.000 1.136 102 T CB -0.264 68.653 68.868 0.081 0.000 0.874 102 T HN 0.205 nan 8.240 nan 0.000 0.466 103 F N 2.476 122.443 119.950 0.029 0.000 2.102 103 F HA 0.220 4.751 4.527 0.006 0.000 0.298 103 F C 3.000 178.809 175.800 0.015 0.000 1.105 103 F CA 0.668 58.678 58.000 0.017 0.000 1.239 103 F CB -1.129 37.882 39.000 0.019 0.000 0.991 103 F HN 0.268 nan 8.300 nan 0.000 0.474 104 A N 0.000 122.956 122.820 0.227 0.000 1.877 104 A HA -0.209 4.115 4.320 0.007 0.000 0.216 104 A C 2.229 179.862 177.584 0.082 0.000 1.186 104 A CA 1.763 53.877 52.037 0.128 0.000 0.620 104 A CB -0.677 18.387 19.000 0.106 0.000 0.822 104 A HN 0.332 nan 8.150 nan 0.000 0.443 105 K N -0.435 120.009 120.400 0.074 0.000 2.097 105 K HA -0.120 4.204 4.320 0.007 0.000 0.206 105 K C 2.454 179.064 176.600 0.016 0.000 1.049 105 K CA 1.373 57.685 56.287 0.041 0.000 0.933 105 K CB -0.234 32.288 32.500 0.038 0.000 0.717 105 K HN 0.450 nan 8.250 nan 0.000 0.442 106 S N 0.228 115.929 115.700 0.003 0.000 2.356 106 S HA -0.124 4.349 4.470 0.007 0.000 0.223 106 S C 2.104 176.690 174.600 -0.023 0.000 1.032 106 S CA 1.587 59.766 58.200 -0.036 0.000 1.005 106 S CB -0.545 62.598 63.200 -0.095 0.000 0.867 106 S HN 0.489 nan 8.310 nan 0.000 0.449 107 G N 1.420 110.223 108.800 0.005 0.000 2.446 107 G HA2 -0.137 3.827 3.960 0.007 0.000 0.217 107 G HA3 -0.137 3.827 3.960 0.007 0.000 0.217 107 G C 1.426 176.327 174.900 0.001 0.000 1.168 107 G CA 0.997 46.102 45.100 0.008 0.000 0.771 107 G HN 0.571 nan 8.290 nan 0.000 0.551 108 I N 0.310 120.886 120.570 0.010 0.000 2.179 108 I HA -0.145 4.029 4.170 0.007 0.000 0.242 108 I C 2.672 178.785 176.117 -0.007 0.000 1.088 108 I CA 1.493 62.797 61.300 0.006 0.000 1.357 108 I CB -0.217 37.792 38.000 0.015 0.000 1.051 108 I HN 0.278 nan 8.210 nan 0.000 0.409 109 E N 0.644 120.837 120.200 -0.011 0.000 2.110 109 E HA -0.190 4.164 4.350 0.007 0.000 0.193 109 E C 2.242 178.822 176.600 -0.034 0.000 0.988 109 E CA 1.378 57.766 56.400 -0.020 0.000 0.804 109 E CB 0.143 29.830 29.700 -0.021 0.000 0.745 109 E HN 0.367 nan 8.360 nan 0.000 0.458 110 S N 0.287 115.963 115.700 -0.041 0.000 2.368 110 S HA -0.156 4.318 4.470 0.007 0.000 0.225 110 S C 1.990 176.557 174.600 -0.055 0.000 1.030 110 S CA 1.002 59.167 58.200 -0.058 0.000 0.999 110 S CB -0.172 62.993 63.200 -0.059 0.000 0.844 110 S HN 0.467 nan 8.310 nan 0.000 0.459 111 A N 1.341 124.139 122.820 -0.037 0.000 1.898 111 A HA 0.067 4.391 4.320 0.007 0.000 0.216 111 A C 2.096 179.660 177.584 -0.033 0.000 1.181 111 A CA 0.970 52.988 52.037 -0.032 0.000 0.620 111 A CB -0.656 18.333 19.000 -0.017 0.000 0.819 111 A HN 0.443 nan 8.150 nan 0.000 0.442 112 L N -0.719 120.488 121.223 -0.027 0.000 2.083 112 L HA -0.157 4.187 4.340 0.007 0.000 0.209 112 L C 2.511 179.360 176.870 -0.035 0.000 1.083 112 L CA 0.923 55.748 54.840 -0.025 0.000 0.752 112 L CB -0.503 41.546 42.059 -0.018 0.000 0.899 112 L HN 0.364 nan 8.230 nan 0.000 0.433 113 L N -0.481 120.715 121.223 -0.046 0.000 2.093 113 L HA -0.213 4.131 4.340 0.007 0.000 0.208 113 L C 2.247 179.072 176.870 -0.076 0.000 1.085 113 L CA 1.152 55.957 54.840 -0.059 0.000 0.755 113 L CB -0.454 41.563 42.059 -0.070 0.000 0.904 113 L HN 0.271 nan 8.230 nan 0.000 0.435 114 D N 0.185 120.535 120.400 -0.084 0.000 2.084 114 D HA -0.203 4.441 4.640 0.007 0.000 0.194 114 D C 2.171 178.433 176.300 -0.063 0.000 0.990 114 D CA 1.575 55.520 54.000 -0.091 0.000 0.826 114 D CB 0.092 40.843 40.800 -0.081 0.000 0.971 114 D HN 0.222 nan 8.370 nan 0.000 0.453 115 A N -0.203 122.590 122.820 -0.045 0.000 1.908 115 A HA -0.222 4.102 4.320 0.007 0.000 0.218 115 A C 2.207 179.773 177.584 -0.030 0.000 1.181 115 A CA 2.064 54.081 52.037 -0.032 0.000 0.627 115 A CB -0.912 18.074 19.000 -0.023 0.000 0.818 115 A HN 0.338 nan 8.150 nan 0.000 0.445 116 Q N -0.171 119.610 119.800 -0.032 0.000 2.119 116 Q HA -0.001 4.343 4.340 0.007 0.000 0.201 116 Q C 1.909 177.892 176.000 -0.030 0.000 0.972 116 Q CA 1.960 57.747 55.803 -0.027 0.000 0.847 116 Q CB -0.876 27.846 28.738 -0.026 0.000 0.903 116 Q HN 0.501 nan 8.270 nan 0.000 0.433 117 G N 0.263 109.037 108.800 -0.043 0.000 2.402 117 G HA2 -0.231 3.733 3.960 0.007 0.000 0.216 117 G HA3 -0.231 3.733 3.960 0.007 0.000 0.216 117 G C 1.279 176.159 174.900 -0.033 0.000 1.162 117 G CA 0.736 45.809 45.100 -0.044 0.000 0.777 117 G HN 0.342 nan 8.290 nan 0.000 0.539 118 K N -0.010 120.369 120.400 -0.035 0.000 2.026 118 K HA -0.054 4.270 4.320 0.007 0.000 0.208 118 K C 2.546 179.135 176.600 -0.017 0.000 1.048 118 K CA 1.068 57.340 56.287 -0.025 0.000 0.929 118 K CB -0.184 32.301 32.500 -0.025 0.000 0.713 118 K HN 0.203 nan 8.250 nan 0.000 0.439 119 R N 1.291 121.781 120.500 -0.017 0.000 2.091 119 R HA -0.123 4.221 4.340 0.007 0.000 0.238 119 R C 1.856 178.150 176.300 -0.010 0.000 1.136 119 R CA 1.386 57.478 56.100 -0.013 0.000 0.959 119 R CB -0.136 30.156 30.300 -0.013 0.000 0.856 119 R HN 0.163 nan 8.270 nan 0.000 0.437 120 L N -0.559 120.657 121.223 -0.011 0.000 2.567 120 L HA 0.244 4.587 4.340 0.007 0.000 0.225 120 L C 1.042 177.908 176.870 -0.006 0.000 1.119 120 L CA 0.430 55.265 54.840 -0.008 0.000 0.871 120 L CB 0.380 42.435 42.059 -0.008 0.000 1.036 120 L HN 0.626 nan 8.230 nan 0.000 0.459 121 G N 1.134 109.929 108.800 -0.008 0.000 2.176 121 G HA2 -0.261 3.703 3.960 0.007 0.000 0.252 121 G HA3 -0.261 3.703 3.960 0.007 0.000 0.252 121 G C -0.096 174.803 174.900 -0.002 0.000 1.024 121 G CA 0.020 45.117 45.100 -0.005 0.000 0.755 121 G HN 0.238 nan 8.290 nan 0.000 0.507 122 L N -0.466 120.754 121.223 -0.005 0.000 2.354 122 L HA 0.545 4.889 4.340 0.007 0.000 0.269 122 L C -2.266 174.604 176.870 0.001 0.000 1.005 122 L CA -2.658 52.184 54.840 0.003 0.000 0.819 122 L CB 2.340 44.401 42.059 0.003 0.000 1.311 122 L HN -0.164 nan 8.230 nan 0.000 0.423 123 P HA 0.069 nan 4.420 nan 0.000 0.275 123 P C 0.890 178.211 177.300 0.034 0.000 1.228 123 P CA -0.382 62.753 63.100 0.059 0.000 0.786 123 P CB 0.962 32.759 31.700 0.161 0.000 0.927 124 V N 1.940 121.785 119.914 -0.115 0.000 2.453 124 V HA -0.288 3.836 4.120 0.007 0.000 0.252 124 V C 2.256 178.401 176.094 0.084 0.000 1.068 124 V CA 2.798 65.035 62.300 -0.105 0.000 1.070 124 V CB -1.517 30.108 31.823 -0.329 0.000 0.664 124 V HN 0.719 nan 8.190 nan 0.000 0.461 125 S N -0.047 115.847 115.700 0.324 0.000 2.383 125 S HA -0.225 4.249 4.470 0.007 0.000 0.229 125 S C 1.760 176.408 174.600 0.080 0.000 1.030 125 S CA 1.407 59.711 58.200 0.172 0.000 1.002 125 S CB -0.381 62.876 63.200 0.095 0.000 0.829 125 S HN 0.647 nan 8.310 nan 0.000 0.467 126 E N 1.749 121.993 120.200 0.073 0.000 2.152 126 E HA 0.119 4.473 4.350 0.007 0.000 0.192 126 E C 2.171 178.786 176.600 0.025 0.000 0.983 126 E CA 0.539 56.962 56.400 0.038 0.000 0.818 126 E CB -0.594 29.125 29.700 0.032 0.000 0.758 126 E HN 0.532 nan 8.360 nan 0.000 0.467 127 L N 0.343 121.579 121.223 0.021 0.000 2.083 127 L HA -0.114 4.230 4.340 0.007 0.000 0.209 127 L C 2.234 179.110 176.870 0.011 0.000 1.083 127 L CA 0.824 55.669 54.840 0.007 0.000 0.752 127 L CB -0.374 41.680 42.059 -0.008 0.000 0.899 127 L HN 0.093 nan 8.230 nan 0.000 0.433 128 L N -0.720 120.514 121.223 0.019 0.000 2.610 128 L HA 0.049 4.393 4.340 0.007 0.000 0.232 128 L C 1.476 178.360 176.870 0.023 0.000 1.149 128 L CA 0.700 55.552 54.840 0.020 0.000 0.872 128 L CB -0.316 41.759 42.059 0.026 0.000 0.992 128 L HN 0.517 nan 8.230 nan 0.000 0.447 129 G N -1.020 107.792 108.800 0.021 0.000 2.545 129 G HA2 0.009 3.973 3.960 0.007 0.000 0.195 129 G HA3 0.009 3.973 3.960 0.007 0.000 0.195 129 G C 0.463 175.374 174.900 0.018 0.000 1.009 129 G CA -0.369 44.742 45.100 0.019 0.000 0.703 129 G HN 0.720 nan 8.290 nan 0.000 0.479 130 G N 0.001 108.814 108.800 0.022 0.000 2.653 130 G HA2 0.517 4.481 3.960 0.007 0.000 0.656 130 G HA3 0.517 4.481 3.960 0.007 0.000 0.656 130 G C -0.348 174.561 174.900 0.015 0.000 1.419 130 G CA 0.282 45.392 45.100 0.017 0.000 0.862 130 G HN 1.307 nan 8.290 nan 0.000 0.639 131 R N 0.693 121.198 120.500 0.008 0.000 2.490 131 R HA 0.623 4.967 4.340 0.007 0.000 0.278 131 R C 0.868 177.166 176.300 -0.004 0.000 1.069 131 R CA -0.010 56.088 56.100 -0.003 0.000 1.080 131 R CB 1.502 31.787 30.300 -0.025 0.000 1.030 131 R HN 1.321 nan 8.270 nan 0.000 0.491 132 V N -1.289 118.622 119.914 -0.004 0.000 3.427 132 V HA 0.292 4.416 4.120 0.007 0.000 0.305 132 V C 0.175 176.262 176.094 -0.012 0.000 1.412 132 V CA -0.136 62.161 62.300 -0.005 0.000 1.086 132 V CB -1.118 30.703 31.823 -0.002 0.000 0.964 132 V HN 0.952 nan 8.190 nan 0.000 0.439 133 R N -1.740 118.749 120.500 -0.019 0.000 2.712 133 R HA 0.473 4.817 4.340 0.007 0.000 0.272 133 R C -1.212 175.063 176.300 -0.041 0.000 1.032 133 R CA -0.387 55.697 56.100 -0.026 0.000 0.874 133 R CB 0.788 31.071 30.300 -0.029 0.000 1.256 133 R HN -0.018 nan 8.270 nan 0.000 0.468 134 D N 0.167 120.542 120.400 -0.042 0.000 2.441 134 D HA 0.115 4.759 4.640 0.007 0.000 0.210 134 D C -0.343 175.901 176.300 -0.093 0.000 1.102 134 D CA 0.548 54.517 54.000 -0.052 0.000 0.840 134 D CB 1.057 41.852 40.800 -0.009 0.000 0.990 134 D HN 0.563 nan 8.370 nan 0.000 0.505 135 S N -0.096 115.529 115.700 -0.126 0.000 2.618 135 S HA 0.717 5.191 4.470 0.007 0.000 0.277 135 S C -0.923 173.579 174.600 -0.164 0.000 1.138 135 S CA -0.849 57.204 58.200 -0.246 0.000 0.844 135 S CB 2.283 65.199 63.200 -0.473 0.000 1.127 135 S HN 0.000 nan 8.310 nan 0.000 0.474 136 L N 1.099 122.224 121.223 -0.163 0.000 2.408 136 L HA 0.590 4.934 4.340 0.007 0.000 0.268 136 L C -0.402 176.455 176.870 -0.021 0.000 0.986 136 L CA -0.782 54.023 54.840 -0.058 0.000 0.820 136 L CB 2.024 44.083 42.059 0.000 0.000 1.303 136 L HN 0.814 nan 8.230 nan 0.000 0.411 137 E N 1.822 122.032 120.200 0.017 0.000 2.414 137 E HA 0.282 4.636 4.350 0.007 0.000 0.263 137 E C -1.279 175.402 176.600 0.136 0.000 1.000 137 E CA 0.020 56.465 56.400 0.076 0.000 0.914 137 E CB 1.004 30.738 29.700 0.056 0.000 0.948 137 E HN 0.269 nan 8.360 nan 0.000 0.444 138 V N 4.331 124.382 119.914 0.230 0.000 2.444 138 V HA 0.629 4.753 4.120 0.007 0.000 0.294 138 V C 0.181 176.526 176.094 0.419 0.000 1.022 138 V CA -0.499 62.007 62.300 0.343 0.000 0.850 138 V CB 1.234 33.351 31.823 0.490 0.000 0.992 138 V HN 0.900 nan 8.190 nan 0.000 0.426 139 A N 5.188 128.214 122.820 0.344 0.000 2.272 139 A HA 0.726 5.050 4.320 0.007 0.000 0.275 139 A C -0.689 177.015 177.584 0.199 0.000 1.096 139 A CA -0.496 51.685 52.037 0.240 0.000 0.822 139 A CB 0.939 20.106 19.000 0.278 0.000 1.088 139 A HN 0.971 nan 8.150 nan 0.000 0.495 140 W N 0.527 121.618 121.300 -0.349 0.000 2.998 140 W HA 0.421 5.086 4.660 0.007 0.000 0.335 140 W C -1.411 174.893 176.519 -0.359 0.000 1.110 140 W CA -0.391 56.538 57.345 -0.692 0.000 1.230 140 W CB 1.985 30.886 29.460 -0.931 0.000 1.405 140 W HN 0.632 nan 8.180 nan 0.000 0.493 141 T N 6.165 119.979 114.554 -1.235 0.000 2.780 141 T HA 0.343 4.697 4.350 0.007 0.000 0.294 141 T C 0.146 174.391 174.700 -0.759 0.000 0.949 141 T CA -0.230 61.443 62.100 -0.712 0.000 1.074 141 T CB 0.737 69.286 68.868 -0.531 0.000 0.910 141 T HN 0.211 nan 8.240 nan 0.000 0.501 142 L N 3.027 124.091 121.223 -0.266 0.000 2.278 142 L HA 0.496 4.840 4.340 0.007 0.000 0.287 142 L C 0.885 177.691 176.870 -0.107 0.000 1.072 142 L CA -0.493 54.271 54.840 -0.128 0.000 0.819 142 L CB 0.734 42.783 42.059 -0.018 0.000 1.176 142 L HN 0.791 nan 8.230 nan 0.000 0.435 143 A N 1.239 123.989 122.820 -0.116 0.000 2.606 143 A HA 0.109 4.433 4.320 0.007 0.000 0.290 143 A C 1.515 179.086 177.584 -0.022 0.000 1.174 143 A CA 0.239 52.233 52.037 -0.072 0.000 0.958 143 A CB 0.125 19.048 19.000 -0.128 0.000 1.194 143 A HN 0.717 nan 8.150 nan 0.000 0.526 144 S N -1.192 114.514 115.700 0.010 0.000 2.481 144 S HA 0.263 4.737 4.470 0.007 0.000 0.231 144 S C 1.776 176.374 174.600 -0.002 0.000 0.996 144 S CA 1.475 59.683 58.200 0.015 0.000 0.942 144 S CB -0.285 62.935 63.200 0.032 0.000 0.768 144 S HN 1.916 nan 8.310 nan 0.000 0.520 145 G N 1.202 109.994 108.800 -0.013 0.000 2.435 145 G HA2 -0.307 3.657 3.960 0.007 0.000 0.245 145 G HA3 -0.307 3.657 3.960 0.007 0.000 0.245 145 G C -0.102 174.725 174.900 -0.121 0.000 1.073 145 G CA 0.428 45.475 45.100 -0.088 0.000 0.638 145 G HN 0.684 nan 8.290 nan 0.000 0.521 146 D N 0.984 121.369 120.400 -0.024 0.000 2.249 146 D HA 0.465 5.109 4.640 0.007 0.000 0.246 146 D C 1.687 178.043 176.300 0.094 0.000 1.114 146 D CA 0.459 54.462 54.000 0.006 0.000 0.854 146 D CB 1.020 41.826 40.800 0.010 0.000 1.132 146 D HN 0.125 nan 8.370 nan 0.000 0.461 147 T N 3.107 117.750 114.554 0.148 0.000 2.684 147 T HA -0.165 4.189 4.350 0.007 0.000 0.267 147 T C 1.834 176.585 174.700 0.084 0.000 1.036 147 T CA 1.604 63.833 62.100 0.216 0.000 1.148 147 T CB -0.077 68.930 68.868 0.232 0.000 0.863 147 T HN 0.596 nan 8.240 nan 0.000 0.436 148 A N 1.880 124.732 122.820 0.053 0.000 1.902 148 A HA -0.120 4.204 4.320 0.007 0.000 0.217 148 A C 2.428 180.022 177.584 0.017 0.000 1.181 148 A CA 1.258 53.310 52.037 0.025 0.000 0.623 148 A CB -0.460 18.552 19.000 0.019 0.000 0.818 148 A HN 0.394 nan 8.150 nan 0.000 0.443 149 R N -0.390 120.125 120.500 0.026 0.000 2.092 149 R HA -0.102 4.242 4.340 0.007 0.000 0.231 149 R C 1.501 177.814 176.300 0.021 0.000 1.119 149 R CA 1.387 57.500 56.100 0.022 0.000 0.970 149 R CB -0.483 29.832 30.300 0.025 0.000 0.864 149 R HN 0.473 nan 8.270 nan 0.000 0.440 150 D N 0.913 121.332 120.400 0.032 0.000 2.117 150 D HA -0.110 4.534 4.640 0.007 0.000 0.197 150 D C 1.961 178.220 176.300 -0.068 0.000 0.987 150 D CA 1.089 55.092 54.000 0.005 0.000 0.829 150 D CB -0.157 40.668 40.800 0.042 0.000 0.961 150 D HN 0.200 nan 8.370 nan 0.000 0.460 151 I N 1.045 121.579 120.570 -0.060 0.000 2.315 151 I HA -0.218 3.956 4.170 0.007 0.000 0.248 151 I C 2.454 178.529 176.117 -0.070 0.000 1.117 151 I CA 0.851 62.098 61.300 -0.089 0.000 1.404 151 I CB -0.165 37.803 38.000 -0.053 0.000 1.071 151 I HN -0.086 nan 8.210 nan 0.000 0.419 152 A N 0.381 123.184 122.820 -0.029 0.000 1.898 152 A HA -0.256 4.068 4.320 0.007 0.000 0.216 152 A C 2.321 179.914 177.584 0.015 0.000 1.181 152 A CA 1.897 53.931 52.037 -0.006 0.000 0.620 152 A CB -0.601 18.399 19.000 -0.001 0.000 0.819 152 A HN 0.475 nan 8.150 nan 0.000 0.442 153 E N -0.162 120.047 120.200 0.014 0.000 2.051 153 E HA -0.118 4.236 4.350 0.007 0.000 0.192 153 E C 2.167 178.775 176.600 0.013 0.000 0.991 153 E CA 1.083 57.525 56.400 0.069 0.000 0.799 153 E CB -0.284 29.483 29.700 0.111 0.000 0.748 153 E HN 0.516 nan 8.360 nan 0.000 0.449 154 A N 1.214 123.911 122.820 -0.205 0.000 1.908 154 A HA -0.214 4.110 4.320 0.007 0.000 0.218 154 A C 2.177 179.650 177.584 -0.184 0.000 1.181 154 A CA 1.692 53.366 52.037 -0.605 0.000 0.627 154 A CB -0.549 17.830 19.000 -1.034 0.000 0.818 154 A HN 0.195 nan 8.150 nan 0.000 0.445 155 R N -2.021 118.438 120.500 -0.069 0.000 2.148 155 R HA -0.137 4.207 4.340 0.007 0.000 0.227 155 R C 2.213 178.576 176.300 0.105 0.000 1.103 155 R CA 1.434 57.557 56.100 0.037 0.000 0.983 155 R CB -0.381 29.936 30.300 0.029 0.000 0.874 155 R HN 0.809 nan 8.270 nan 0.000 0.451 156 H N 0.468 119.546 119.070 0.012 0.000 2.333 156 H HA -0.001 4.559 4.556 0.007 0.000 0.302 156 H C 1.881 177.233 175.328 0.040 0.000 1.075 156 H CA 1.548 57.606 56.048 0.016 0.000 1.348 156 H CB 0.094 29.854 29.762 -0.004 0.000 1.393 156 H HN -0.067 nan 8.280 nan 0.000 0.509 157 M N -0.073 119.493 119.600 -0.055 0.000 2.202 157 M HA -0.117 4.367 4.480 0.007 0.000 0.262 157 M C 2.426 178.777 176.300 0.085 0.000 1.063 157 M CA 1.084 56.361 55.300 -0.038 0.000 1.097 157 M CB -0.937 31.817 32.600 0.258 0.000 1.382 157 M HN 0.335 nan 8.290 nan 0.000 0.413 158 L N -0.458 120.900 121.223 0.226 0.000 2.072 158 L HA -0.186 4.157 4.340 0.007 0.000 0.205 158 L C 2.543 179.496 176.870 0.138 0.000 1.079 158 L CA 1.180 56.190 54.840 0.283 0.000 0.752 158 L CB -0.522 41.704 42.059 0.277 0.000 0.906 158 L HN 0.356 nan 8.230 nan 0.000 0.436 159 E N 0.999 121.230 120.200 0.051 0.000 2.058 159 E HA -0.255 4.099 4.350 0.007 0.000 0.194 159 E C 1.961 178.523 176.600 -0.064 0.000 0.997 159 E CA 1.705 58.114 56.400 0.014 0.000 0.801 159 E CB -0.101 29.624 29.700 0.042 0.000 0.746 159 E HN 0.664 nan 8.360 nan 0.000 0.450 160 I N -2.191 118.270 120.570 -0.182 0.000 3.646 160 I HA 0.162 4.336 4.170 0.007 0.000 0.301 160 I C 0.077 176.025 176.117 -0.282 0.000 1.276 160 I CA -0.044 61.119 61.300 -0.229 0.000 1.254 160 I CB -0.079 37.722 38.000 -0.330 0.000 1.020 160 I HN -0.001 nan 8.210 nan 0.000 0.473 161 R N 0.853 121.182 120.500 -0.286 0.000 3.516 161 R HA -0.208 4.136 4.340 0.007 0.000 0.271 161 R C 1.279 177.051 176.300 -0.879 0.000 1.098 161 R CA 0.830 56.513 56.100 -0.695 0.000 0.732 161 R CB -1.916 27.960 30.300 -0.707 0.000 1.152 161 R HN 0.570 nan 8.270 nan 0.000 0.455 162 R N -0.030 120.172 120.500 -0.497 0.000 2.128 162 R HA 0.093 4.437 4.340 0.007 0.000 0.211 162 R C 0.249 176.174 176.300 -0.624 0.000 1.067 162 R CA 0.766 56.513 56.100 -0.588 0.000 1.010 162 R CB 0.451 30.371 30.300 -0.633 0.000 0.922 162 R HN 0.293 nan 8.270 nan 0.000 0.457 163 H N -1.036 118.108 119.070 0.124 0.000 2.996 163 H HA 0.241 4.801 4.556 0.007 0.000 0.368 163 H C -0.386 174.989 175.328 0.078 0.000 1.185 163 H CA -0.612 55.510 56.048 0.123 0.000 1.160 163 H CB 1.763 31.447 29.762 -0.130 0.000 1.820 163 H HN 0.119 nan 8.280 nan 0.000 0.547 164 R N 0.118 120.548 120.500 -0.117 0.000 2.538 164 R HA 0.393 4.737 4.340 0.007 0.000 0.372 164 R C -1.020 175.029 176.300 -0.419 0.000 0.950 164 R CA -0.092 55.835 56.100 -0.289 0.000 1.168 164 R CB 0.637 30.620 30.300 -0.528 0.000 1.542 164 R HN 0.088 nan 8.270 nan 0.000 0.536 165 V N 2.141 121.697 119.914 -0.597 0.000 2.483 165 V HA 0.518 4.642 4.120 0.007 0.000 0.297 165 V C -1.309 174.444 176.094 -0.568 0.000 1.027 165 V CA -0.597 61.499 62.300 -0.340 0.000 0.855 165 V CB 1.412 33.199 31.823 -0.061 0.000 0.995 165 V HN 0.074 nan 8.190 nan 0.000 0.424 166 F N 2.992 123.014 119.950 0.120 0.000 2.532 166 F HA 0.654 5.185 4.527 0.006 0.000 0.321 166 F C 0.055 175.879 175.800 0.040 0.000 1.089 166 F CA -0.813 57.239 58.000 0.087 0.000 0.926 166 F CB 2.054 41.104 39.000 0.083 0.000 1.168 166 F HN 0.279 nan 8.300 nan 0.000 0.459 167 K N 3.194 123.697 120.400 0.170 0.000 2.270 167 K HA 0.763 5.087 4.320 0.007 0.000 0.255 167 K C -1.786 174.837 176.600 0.038 0.000 0.936 167 K CA -0.554 55.782 56.287 0.080 0.000 0.809 167 K CB 1.356 33.906 32.500 0.083 0.000 1.131 167 K HN 0.721 nan 8.250 nan 0.000 0.427 168 L N 4.235 125.474 121.223 0.026 0.000 2.349 168 L HA 0.431 4.775 4.340 0.007 0.000 0.278 168 L C -0.561 176.323 176.870 0.022 0.000 0.996 168 L CA -0.824 54.032 54.840 0.028 0.000 0.825 168 L CB 1.848 43.923 42.059 0.027 0.000 1.243 168 L HN 0.505 nan 8.230 nan 0.000 0.412 169 K N 5.470 125.888 120.400 0.029 0.000 2.276 169 K HA 0.561 4.885 4.320 0.007 0.000 0.285 169 K C -0.456 176.175 176.600 0.052 0.000 1.062 169 K CA -0.132 56.171 56.287 0.027 0.000 0.918 169 K CB 1.036 33.560 32.500 0.041 0.000 1.055 169 K HN 0.501 nan 8.250 nan 0.000 0.477 170 I N -2.757 117.822 120.570 0.016 0.000 3.457 170 I HA 0.731 4.905 4.170 0.007 0.000 0.307 170 I C 0.663 176.784 176.117 0.006 0.000 1.138 170 I CA -0.844 60.478 61.300 0.036 0.000 0.974 170 I CB 2.068 40.112 38.000 0.073 0.000 1.324 170 I HN 0.650 nan 8.210 nan 0.000 0.485 171 G N 0.355 109.173 108.800 0.030 0.000 2.218 171 G HA2 -0.193 3.770 3.960 0.007 0.000 0.216 171 G HA3 -0.193 3.770 3.960 0.007 0.000 0.216 171 G C 0.780 175.666 174.900 -0.023 0.000 0.994 171 G CA 0.508 45.616 45.100 0.013 0.000 0.637 171 G HN 1.277 nan 8.290 nan 0.000 0.505 172 A N -0.333 122.424 122.820 -0.105 0.000 2.081 172 A HA 0.456 4.780 4.320 0.007 0.000 0.214 172 A C 1.116 178.643 177.584 -0.095 0.000 1.158 172 A CA 1.290 53.184 52.037 -0.239 0.000 0.724 172 A CB -0.025 18.835 19.000 -0.234 0.000 0.826 172 A HN 0.397 nan 8.150 nan 0.000 0.463 173 N N -0.182 118.513 118.700 -0.008 0.000 2.502 173 N HA 0.460 5.204 4.740 0.007 0.000 0.280 173 N C -2.994 172.553 175.510 0.061 0.000 1.223 173 N CA -1.944 51.112 53.050 0.010 0.000 0.966 173 N CB -0.139 38.350 38.487 0.004 0.000 1.203 173 N HN -0.121 nan 8.380 nan 0.000 0.565 174 P HA 0.011 nan 4.420 nan 0.000 0.265 174 P C 1.033 178.377 177.300 0.074 0.000 1.193 174 P CA -0.119 63.007 63.100 0.044 0.000 0.765 174 P CB 0.664 32.373 31.700 0.016 0.000 0.823 175 V N 2.785 122.736 119.914 0.062 0.000 2.278 175 V HA -0.299 3.825 4.120 0.007 0.000 0.251 175 V C 2.127 178.242 176.094 0.034 0.000 1.062 175 V CA 2.065 64.389 62.300 0.041 0.000 1.038 175 V CB -0.922 30.793 31.823 -0.181 0.000 0.646 175 V HN 0.588 nan 8.190 nan 0.000 0.447 176 E N -0.402 119.799 120.200 0.001 0.000 2.118 176 E HA -0.254 4.100 4.350 0.007 0.000 0.195 176 E C 2.217 178.841 176.600 0.038 0.000 0.992 176 E CA 1.624 58.028 56.400 0.007 0.000 0.804 176 E CB -0.317 29.379 29.700 -0.007 0.000 0.741 176 E HN 0.747 nan 8.360 nan 0.000 0.458 177 Q N 0.171 119.999 119.800 0.047 0.000 2.049 177 Q HA -0.163 4.181 4.340 0.007 0.000 0.198 177 Q C 1.183 177.242 176.000 0.099 0.000 0.971 177 Q CA 1.557 57.393 55.803 0.055 0.000 0.833 177 Q CB 0.065 28.821 28.738 0.030 0.000 0.896 177 Q HN 0.158 nan 8.270 nan 0.000 0.434 178 D N 0.530 121.009 120.400 0.132 0.000 2.144 178 D HA -0.129 4.515 4.640 0.007 0.000 0.199 178 D C 2.008 178.436 176.300 0.213 0.000 0.984 178 D CA 0.863 54.985 54.000 0.203 0.000 0.834 178 D CB -0.088 40.867 40.800 0.258 0.000 0.955 178 D HN 0.313 nan 8.370 nan 0.000 0.465 179 L N 0.591 121.910 121.223 0.160 0.000 2.017 179 L HA -0.166 4.178 4.340 0.007 0.000 0.208 179 L C 2.522 179.446 176.870 0.091 0.000 1.073 179 L CA 1.152 56.061 54.840 0.116 0.000 0.745 179 L CB -0.389 41.706 42.059 0.060 0.000 0.894 179 L HN 0.008 nan 8.230 nan 0.000 0.432 180 K N -0.583 119.870 120.400 0.088 0.000 2.026 180 K HA -0.269 4.055 4.320 0.007 0.000 0.208 180 K C 2.288 178.949 176.600 0.102 0.000 1.048 180 K CA 1.537 57.869 56.287 0.076 0.000 0.929 180 K CB -0.284 32.255 32.500 0.066 0.000 0.713 180 K HN 0.396 nan 8.250 nan 0.000 0.439 181 H N 0.082 119.171 119.070 0.031 0.000 2.319 181 H HA -0.114 4.446 4.556 0.006 0.000 0.299 181 H C 1.861 177.206 175.328 0.028 0.000 1.092 181 H CA 1.933 57.997 56.048 0.026 0.000 1.302 181 H CB 0.150 29.930 29.762 0.029 0.000 1.373 181 H HN 0.085 nan 8.280 nan 0.000 0.497 182 V N 0.706 120.566 119.914 -0.090 0.000 2.307 182 V HA -0.197 3.927 4.120 0.007 0.000 0.245 182 V C 2.947 178.994 176.094 -0.079 0.000 1.045 182 V CA 1.294 63.509 62.300 -0.142 0.000 1.024 182 V CB -0.458 31.361 31.823 -0.006 0.000 0.651 182 V HN 0.264 nan 8.190 nan 0.000 0.449 183 V N 0.053 119.955 119.914 -0.019 0.000 2.407 183 V HA -0.261 3.863 4.120 0.007 0.000 0.248 183 V C 2.562 178.644 176.094 -0.019 0.000 1.055 183 V CA 2.526 64.822 62.300 -0.007 0.000 1.049 183 V CB -1.020 30.810 31.823 0.011 0.000 0.662 183 V HN 0.615 nan 8.190 nan 0.000 0.455 184 T N 0.246 114.784 114.554 -0.026 0.000 2.746 184 T HA -0.089 4.265 4.350 0.007 0.000 0.267 184 T C 1.820 176.492 174.700 -0.046 0.000 1.039 184 T CA 1.638 63.725 62.100 -0.023 0.000 1.142 184 T CB -0.228 68.639 68.868 -0.003 0.000 0.866 184 T HN 0.355 nan 8.240 nan 0.000 0.444 185 I N 0.777 121.288 120.570 -0.098 0.000 2.179 185 I HA -0.150 4.024 4.170 0.007 0.000 0.242 185 I C 2.579 178.663 176.117 -0.054 0.000 1.088 185 I CA 1.122 62.359 61.300 -0.105 0.000 1.357 185 I CB -0.260 37.628 38.000 -0.186 0.000 1.051 185 I HN 0.100 nan 8.210 nan 0.000 0.409 186 K N 1.386 121.765 120.400 -0.035 0.000 2.097 186 K HA -0.176 4.148 4.320 0.007 0.000 0.206 186 K C 2.210 178.813 176.600 0.005 0.000 1.049 186 K CA 1.453 57.740 56.287 0.001 0.000 0.933 186 K CB -0.325 32.181 32.500 0.010 0.000 0.717 186 K HN 0.064 nan 8.250 nan 0.000 0.442 187 R N 0.265 120.763 120.500 -0.003 0.000 2.081 187 R HA -0.108 4.236 4.340 0.007 0.000 0.235 187 R C 1.514 177.815 176.300 0.003 0.000 1.131 187 R CA 1.593 57.694 56.100 0.002 0.000 0.960 187 R CB -0.044 30.257 30.300 0.001 0.000 0.856 187 R HN 0.234 nan 8.270 nan 0.000 0.436 188 E N 0.452 120.649 120.200 -0.005 0.000 2.152 188 E HA -0.114 4.239 4.350 0.007 0.000 0.192 188 E C 2.076 178.677 176.600 0.002 0.000 0.983 188 E CA 0.762 57.160 56.400 -0.004 0.000 0.818 188 E CB -0.017 29.675 29.700 -0.014 0.000 0.758 188 E HN 0.403 nan 8.360 nan 0.000 0.467 189 L N -0.126 121.099 121.223 0.003 0.000 2.270 189 L HA 0.060 4.404 4.340 0.007 0.000 0.210 189 L C 1.574 178.466 176.870 0.037 0.000 1.104 189 L CA 0.521 55.374 54.840 0.022 0.000 0.804 189 L CB -0.714 41.365 42.059 0.034 0.000 0.937 189 L HN 0.167 nan 8.230 nan 0.000 0.450 190 G N 1.679 110.498 108.800 0.030 0.000 2.566 190 G HA2 -0.386 3.578 3.960 0.007 0.000 0.280 190 G HA3 -0.386 3.578 3.960 0.007 0.000 0.280 190 G C 0.458 175.382 174.900 0.040 0.000 1.225 190 G CA 0.364 45.482 45.100 0.031 0.000 0.966 190 G HN 0.525 nan 8.290 nan 0.000 0.560 191 D N 0.656 121.076 120.400 0.033 0.000 2.363 191 D HA -0.008 4.635 4.640 0.007 0.000 0.226 191 D C 2.209 178.529 176.300 0.033 0.000 1.020 191 D CA 1.478 55.497 54.000 0.031 0.000 0.892 191 D CB -0.203 40.609 40.800 0.020 0.000 0.900 191 D HN 0.751 nan 8.370 nan 0.000 0.531 192 S N -0.117 115.611 115.700 0.047 0.000 2.453 192 S HA 0.230 4.704 4.470 0.007 0.000 0.231 192 S C 0.943 175.589 174.600 0.077 0.000 1.005 192 S CA 0.173 58.406 58.200 0.055 0.000 0.949 192 S CB 0.077 63.320 63.200 0.072 0.000 0.774 192 S HN 0.451 nan 8.310 nan 0.000 0.510 193 A N 0.597 123.485 122.820 0.112 0.000 2.556 193 A HA 0.746 5.070 4.320 0.007 0.000 0.294 193 A C -0.507 177.157 177.584 0.135 0.000 1.091 193 A CA -0.510 51.627 52.037 0.168 0.000 0.704 193 A CB 1.515 20.770 19.000 0.425 0.000 1.300 193 A HN 0.257 nan 8.150 nan 0.000 0.406 194 S N 0.233 115.999 115.700 0.110 0.000 2.480 194 S HA 0.590 5.064 4.470 0.007 0.000 0.286 194 S C -0.760 173.932 174.600 0.154 0.000 1.180 194 S CA -0.354 57.912 58.200 0.109 0.000 1.075 194 S CB 0.357 63.612 63.200 0.091 0.000 0.996 194 S HN 0.933 nan 8.310 nan 0.000 0.487 195 V N 6.332 126.324 119.914 0.130 0.000 2.448 195 V HA 0.624 4.748 4.120 0.007 0.000 0.295 195 V C -0.183 175.948 176.094 0.062 0.000 1.025 195 V CA -0.745 61.630 62.300 0.125 0.000 0.859 195 V CB 1.585 33.465 31.823 0.095 0.000 0.988 195 V HN 0.910 nan 8.190 nan 0.000 0.431 196 R N 2.379 122.906 120.500 0.045 0.000 2.888 196 R HA 0.883 5.227 4.340 0.007 0.000 0.266 196 R C -0.929 175.357 176.300 -0.024 0.000 1.020 196 R CA -0.724 55.361 56.100 -0.026 0.000 0.963 196 R CB 2.375 32.627 30.300 -0.080 0.000 1.197 196 R HN 0.648 nan 8.270 nan 0.000 0.481 197 V N -2.219 117.659 119.914 -0.060 0.000 3.001 197 V HA 0.698 4.822 4.120 0.007 0.000 0.314 197 V C -1.204 174.827 176.094 -0.105 0.000 1.099 197 V CA -0.720 61.547 62.300 -0.055 0.000 0.989 197 V CB 2.227 34.031 31.823 -0.031 0.000 1.040 197 V HN 0.688 nan 8.190 nan 0.000 0.434 198 D N 1.327 121.663 120.400 -0.107 0.000 2.620 198 D HA 0.507 5.151 4.640 0.007 0.000 0.252 198 D C 0.167 176.345 176.300 -0.203 0.000 1.207 198 D CA -0.294 53.622 54.000 -0.140 0.000 0.884 198 D CB 2.256 43.010 40.800 -0.077 0.000 1.262 198 D HN 0.385 nan 8.370 nan 0.000 0.552 199 V N 2.873 122.590 119.914 -0.327 0.000 3.650 199 V HA 0.072 4.196 4.120 0.007 0.000 0.271 199 V C 0.877 176.677 176.094 -0.490 0.000 1.281 199 V CA -0.213 61.785 62.300 -0.503 0.000 1.120 199 V CB -0.890 30.386 31.823 -0.912 0.000 0.856 199 V HN 0.724 nan 8.190 nan 0.000 0.443 200 N N 1.618 120.066 118.700 -0.419 0.000 2.716 200 N HA -0.289 4.455 4.740 0.007 0.000 0.250 200 N C 0.565 175.631 175.510 -0.739 0.000 1.033 200 N CA 1.232 53.960 53.050 -0.537 0.000 0.727 200 N CB -0.914 37.226 38.487 -0.579 0.000 0.950 200 N HN 0.827 nan 8.380 nan 0.000 0.541 201 Q N -3.897 115.629 119.800 -0.456 0.000 2.452 201 Q HA -0.288 4.056 4.340 0.007 0.000 0.248 201 Q C 0.090 175.960 176.000 -0.217 0.000 0.874 201 Q CA 1.323 56.946 55.803 -0.299 0.000 1.208 201 Q CB -1.501 27.085 28.738 -0.253 0.000 1.569 201 Q HN 0.567 nan 8.270 nan 0.000 0.579 202 Y N -1.303 118.881 120.300 -0.193 0.000 2.439 202 Y HA -0.067 4.487 4.550 0.007 0.000 0.292 202 Y C 1.154 177.070 175.900 0.026 0.000 1.130 202 Y CA 0.572 58.590 58.100 -0.136 0.000 1.254 202 Y CB 0.246 38.587 38.460 -0.199 0.000 1.000 202 Y HN 0.208 nan 8.280 nan 0.000 0.554 203 W N 1.730 123.099 121.300 0.116 0.000 2.448 203 W HA 0.315 4.978 4.660 0.004 0.000 0.339 203 W C 0.019 176.560 176.519 0.036 0.000 1.124 203 W CA -1.659 55.726 57.345 0.066 0.000 1.262 203 W CB 0.386 29.871 29.460 0.042 0.000 1.251 203 W HN 0.035 nan 8.180 nan 0.000 0.597 204 D N -1.169 119.389 120.400 0.264 0.000 2.387 204 D HA 0.077 4.721 4.640 0.007 0.000 0.255 204 D C 0.815 177.188 176.300 0.122 0.000 1.081 204 D CA -0.524 53.563 54.000 0.144 0.000 0.994 204 D CB 0.795 41.647 40.800 0.087 0.000 1.127 204 D HN 0.541 nan 8.370 nan 0.000 0.513 205 E N -0.205 120.041 120.200 0.077 0.000 2.160 205 E HA -0.259 4.095 4.350 0.007 0.000 0.195 205 E C 1.574 178.182 176.600 0.013 0.000 0.991 205 E CA 1.559 57.990 56.400 0.053 0.000 0.810 205 E CB -0.020 29.701 29.700 0.036 0.000 0.742 205 E HN 0.524 nan 8.360 nan 0.000 0.466 206 S N -0.092 115.607 115.700 -0.001 0.000 2.399 206 S HA -0.210 4.263 4.470 0.007 0.000 0.231 206 S C 1.882 176.433 174.600 -0.082 0.000 1.022 206 S CA 1.186 59.366 58.200 -0.032 0.000 0.983 206 S CB -0.206 62.980 63.200 -0.024 0.000 0.803 206 S HN 0.345 nan 8.310 nan 0.000 0.480 207 Q N 0.904 120.640 119.800 -0.107 0.000 2.163 207 Q HA 0.281 4.625 4.340 0.007 0.000 0.198 207 Q C 2.550 178.298 176.000 -0.421 0.000 0.954 207 Q CA 1.008 56.648 55.803 -0.272 0.000 0.851 207 Q CB -0.408 28.135 28.738 -0.325 0.000 0.928 207 Q HN 0.740 nan 8.270 nan 0.000 0.459 208 A N 0.917 123.608 122.820 -0.216 0.000 2.015 208 A HA -0.133 4.191 4.320 0.007 0.000 0.219 208 A C 2.000 179.515 177.584 -0.115 0.000 1.163 208 A CA 0.783 52.743 52.037 -0.127 0.000 0.646 208 A CB -0.548 18.567 19.000 0.191 0.000 0.806 208 A HN 0.277 nan 8.150 nan 0.000 0.448 209 I N -0.828 119.687 120.570 -0.091 0.000 2.091 209 I HA -0.325 3.849 4.170 0.007 0.000 0.239 209 I C 2.759 178.822 176.117 -0.089 0.000 1.061 209 I CA 2.126 63.387 61.300 -0.066 0.000 1.317 209 I CB -0.256 37.712 38.000 -0.053 0.000 1.031 209 I HN 0.376 nan 8.210 nan 0.000 0.401 210 R N 0.732 121.153 120.500 -0.133 0.000 2.093 210 R HA -0.068 4.276 4.340 0.007 0.000 0.224 210 R C 2.353 178.560 176.300 -0.156 0.000 1.101 210 R CA 1.172 57.196 56.100 -0.127 0.000 0.979 210 R CB -0.168 30.056 30.300 -0.127 0.000 0.877 210 R HN 0.352 nan 8.270 nan 0.000 0.441 211 A N 0.512 123.165 122.820 -0.279 0.000 1.902 211 A HA -0.177 4.147 4.320 0.007 0.000 0.217 211 A C 2.388 179.915 177.584 -0.096 0.000 1.181 211 A CA 1.556 53.405 52.037 -0.314 0.000 0.623 211 A CB -0.927 17.535 19.000 -0.896 0.000 0.818 211 A HN 0.564 nan 8.150 nan 0.000 0.443 212 C N -1.336 117.939 119.300 -0.041 0.000 2.422 212 C HA -0.072 4.392 4.460 0.007 0.000 0.279 212 C C 2.833 177.830 174.990 0.011 0.000 1.305 212 C CA 1.383 60.428 59.018 0.044 0.000 1.757 212 C CB -1.009 26.763 27.740 0.053 0.000 1.962 212 C HN 0.765 nan 8.230 nan 0.000 0.499 213 Q N 0.971 120.761 119.800 -0.018 0.000 2.016 213 Q HA -0.118 4.225 4.340 0.007 0.000 0.200 213 Q C 2.131 178.125 176.000 -0.010 0.000 0.978 213 Q CA 2.053 57.847 55.803 -0.015 0.000 0.833 213 Q CB -0.476 28.246 28.738 -0.027 0.000 0.895 213 Q HN 0.451 nan 8.270 nan 0.000 0.427 214 V N 0.579 120.482 119.914 -0.018 0.000 2.287 214 V HA -0.274 3.850 4.120 0.007 0.000 0.248 214 V C 2.339 178.440 176.094 0.011 0.000 1.053 214 V CA 1.837 64.132 62.300 -0.008 0.000 1.027 214 V CB -0.633 31.179 31.823 -0.019 0.000 0.646 214 V HN 0.372 nan 8.190 nan 0.000 0.447 215 L N 0.257 121.497 121.223 0.027 0.000 2.017 215 L HA -0.074 4.270 4.340 0.007 0.000 0.208 215 L C 2.697 179.581 176.870 0.024 0.000 1.073 215 L CA 1.829 56.694 54.840 0.042 0.000 0.745 215 L CB -1.258 40.848 42.059 0.078 0.000 0.894 215 L HN 0.467 nan 8.230 nan 0.000 0.432 216 G N -0.499 108.312 108.800 0.018 0.000 2.422 216 G HA2 -0.249 3.715 3.960 0.007 0.000 0.218 216 G HA3 -0.249 3.715 3.960 0.007 0.000 0.218 216 G C 1.088 175.995 174.900 0.012 0.000 1.146 216 G CA 0.845 45.952 45.100 0.010 0.000 0.769 216 G HN 0.303 nan 8.290 nan 0.000 0.547 217 D N 0.279 120.685 120.400 0.009 0.000 2.312 217 D HA -0.010 4.634 4.640 0.007 0.000 0.211 217 D C 1.396 177.703 176.300 0.011 0.000 0.964 217 D CA 0.429 54.434 54.000 0.008 0.000 0.877 217 D CB -0.014 40.788 40.800 0.003 0.000 0.924 217 D HN 0.265 nan 8.370 nan 0.000 0.515 218 N N -0.251 118.457 118.700 0.014 0.000 2.328 218 N HA 0.176 4.920 4.740 0.007 0.000 0.247 218 N C 0.698 176.220 175.510 0.019 0.000 1.165 218 N CA 0.192 53.251 53.050 0.015 0.000 0.873 218 N CB 1.495 39.990 38.487 0.014 0.000 1.125 218 N HN 0.081 nan 8.380 nan 0.000 0.513 219 G N 1.128 109.941 108.800 0.022 0.000 2.143 219 G HA2 -0.261 3.703 3.960 0.007 0.000 0.248 219 G HA3 -0.261 3.703 3.960 0.007 0.000 0.248 219 G C -0.040 174.879 174.900 0.032 0.000 0.991 219 G CA -0.299 44.819 45.100 0.029 0.000 0.689 219 G HN 0.228 nan 8.290 nan 0.000 0.522 220 I N 1.561 122.145 120.570 0.023 0.000 2.471 220 I HA 0.266 4.440 4.170 0.007 0.000 0.286 220 I C 1.278 177.395 176.117 0.000 0.000 1.079 220 I CA -0.863 60.446 61.300 0.015 0.000 1.398 220 I CB 1.134 39.140 38.000 0.011 0.000 1.403 220 I HN 0.038 nan 8.210 nan 0.000 0.530 221 D N 5.310 125.712 120.400 0.004 0.000 2.178 221 D HA 0.006 4.650 4.640 0.007 0.000 0.202 221 D C 0.212 176.386 176.300 -0.211 0.000 0.974 221 D CA 1.397 55.394 54.000 -0.005 0.000 0.841 221 D CB 0.095 40.974 40.800 0.132 0.000 0.953 221 D HN 0.418 nan 8.370 nan 0.000 0.478 222 L N -3.027 118.039 121.223 -0.262 0.000 2.710 222 L HA 0.491 4.835 4.340 0.007 0.000 0.260 222 L C -1.458 175.263 176.870 -0.249 0.000 0.993 222 L CA -0.916 53.693 54.840 -0.386 0.000 0.877 222 L CB 1.762 43.363 42.059 -0.765 0.000 1.461 222 L HN -0.300 nan 8.230 nan 0.000 0.413 223 I N 1.331 121.771 120.570 -0.217 0.000 2.382 223 I HA 0.425 4.599 4.170 0.007 0.000 0.285 223 I C -0.428 175.586 176.117 -0.172 0.000 1.007 223 I CA -0.282 60.935 61.300 -0.139 0.000 1.142 223 I CB 1.735 39.709 38.000 -0.042 0.000 1.289 223 I HN 0.775 nan 8.210 nan 0.000 0.453 224 E N 6.053 126.138 120.200 -0.190 0.000 2.229 224 E HA 0.117 4.471 4.350 0.007 0.000 0.283 224 E C -0.144 176.357 176.600 -0.164 0.000 1.030 224 E CA -0.590 55.698 56.400 -0.187 0.000 0.836 224 E CB 0.763 30.346 29.700 -0.196 0.000 1.068 224 E HN 0.469 nan 8.360 nan 0.000 0.401 225 Q N 3.879 123.599 119.800 -0.133 0.000 2.426 225 Q HA -0.171 4.173 4.340 0.007 0.000 0.359 225 Q C -1.966 173.938 176.000 -0.161 0.000 1.381 225 Q CA 0.670 56.396 55.803 -0.129 0.000 1.060 225 Q CB -0.254 28.400 28.738 -0.141 0.000 1.253 225 Q HN 0.524 nan 8.270 nan 0.000 0.363 226 P HA -0.106 nan 4.420 nan 0.000 0.217 226 P C 0.721 178.013 177.300 -0.013 0.000 1.150 226 P CA 1.693 64.745 63.100 -0.079 0.000 0.832 226 P CB -0.103 31.677 31.700 0.133 0.000 0.787 227 I N -4.696 115.884 120.570 0.016 0.000 3.067 227 I HA 0.558 4.732 4.170 0.007 0.000 0.312 227 I C 0.025 176.130 176.117 -0.019 0.000 1.073 227 I CA -1.433 59.891 61.300 0.040 0.000 1.016 227 I CB 2.024 40.074 38.000 0.084 0.000 1.227 227 I HN -0.306 nan 8.210 nan 0.000 0.456 228 S N 1.191 116.887 115.700 -0.006 0.000 2.568 228 S HA 0.102 4.576 4.470 0.007 0.000 0.282 228 S C 1.377 175.963 174.600 -0.023 0.000 1.338 228 S CA -0.197 57.986 58.200 -0.028 0.000 1.045 228 S CB 0.539 63.734 63.200 -0.008 0.000 0.873 228 S HN 0.846 nan 8.310 nan 0.000 0.516 229 R N 3.775 124.253 120.500 -0.037 0.000 2.241 229 R HA -0.077 4.267 4.340 0.007 0.000 0.224 229 R C 1.832 178.127 176.300 -0.008 0.000 1.101 229 R CA 1.854 57.938 56.100 -0.028 0.000 0.995 229 R CB -0.953 29.326 30.300 -0.036 0.000 0.870 229 R HN 0.850 nan 8.270 nan 0.000 0.463 230 I N -1.307 119.263 120.570 -0.000 0.000 2.830 230 I HA 0.010 4.184 4.170 0.007 0.000 0.263 230 I C 0.476 176.599 176.117 0.011 0.000 1.230 230 I CA 0.539 61.844 61.300 0.009 0.000 1.480 230 I CB -0.286 37.722 38.000 0.013 0.000 1.095 230 I HN -0.033 nan 8.210 nan 0.000 0.455 231 N N 1.991 120.696 118.700 0.010 0.000 2.949 231 N HA 0.101 4.845 4.740 0.007 0.000 0.243 231 N C 0.901 176.417 175.510 0.011 0.000 1.113 231 N CA -0.211 52.847 53.050 0.013 0.000 0.980 231 N CB 0.486 38.985 38.487 0.020 0.000 1.256 231 N HN 0.186 nan 8.380 nan 0.000 0.508 232 R N 2.165 122.670 120.500 0.009 0.000 2.075 232 R HA 0.071 4.415 4.340 0.007 0.000 0.232 232 R C 1.824 178.130 176.300 0.010 0.000 1.126 232 R CA 1.979 58.084 56.100 0.008 0.000 0.963 232 R CB -0.871 29.435 30.300 0.009 0.000 0.858 232 R HN 0.502 nan 8.270 nan 0.000 0.435 233 G N -1.010 107.797 108.800 0.011 0.000 2.422 233 G HA2 -0.197 3.767 3.960 0.007 0.000 0.218 233 G HA3 -0.197 3.767 3.960 0.007 0.000 0.218 233 G C 1.510 176.417 174.900 0.011 0.000 1.146 233 G CA 0.712 45.818 45.100 0.010 0.000 0.769 233 G HN 0.525 nan 8.290 nan 0.000 0.547 234 G N 0.027 108.835 108.800 0.014 0.000 2.422 234 G HA2 -0.115 3.849 3.960 0.007 0.000 0.218 234 G HA3 -0.115 3.849 3.960 0.007 0.000 0.218 234 G C 1.774 176.686 174.900 0.020 0.000 1.140 234 G CA 0.921 46.032 45.100 0.019 0.000 0.775 234 G HN 0.511 nan 8.290 nan 0.000 0.545 235 Q N -0.194 119.616 119.800 0.017 0.000 2.079 235 Q HA -0.035 4.309 4.340 0.007 0.000 0.200 235 Q C 2.824 178.833 176.000 0.015 0.000 0.974 235 Q CA 1.194 57.007 55.803 0.016 0.000 0.840 235 Q CB -0.195 28.550 28.738 0.011 0.000 0.898 235 Q HN 0.373 nan 8.270 nan 0.000 0.430 236 V N 0.986 120.907 119.914 0.012 0.000 2.343 236 V HA -0.285 3.839 4.120 0.007 0.000 0.247 236 V C 2.171 178.269 176.094 0.007 0.000 1.051 236 V CA 1.890 64.195 62.300 0.009 0.000 1.036 236 V CB -0.479 31.348 31.823 0.006 0.000 0.654 236 V HN 0.288 nan 8.190 nan 0.000 0.451 237 R N -0.377 120.128 120.500 0.008 0.000 2.073 237 R HA -0.076 4.268 4.340 0.007 0.000 0.234 237 R C 2.286 178.591 176.300 0.007 0.000 1.134 237 R CA 1.401 57.505 56.100 0.006 0.000 0.952 237 R CB -0.419 29.885 30.300 0.007 0.000 0.850 237 R HN 0.404 nan 8.270 nan 0.000 0.433 238 L N 0.601 121.832 121.223 0.012 0.000 2.141 238 L HA -0.158 4.186 4.340 0.007 0.000 0.209 238 L C 2.146 179.020 176.870 0.007 0.000 1.094 238 L CA 0.956 55.805 54.840 0.014 0.000 0.763 238 L CB -0.452 41.623 42.059 0.027 0.000 0.908 238 L HN 0.231 nan 8.230 nan 0.000 0.437 239 N N 0.191 118.894 118.700 0.005 0.000 2.166 239 N HA -0.220 4.524 4.740 0.007 0.000 0.186 239 N C 1.865 177.374 175.510 -0.003 0.000 1.019 239 N CA 1.458 54.508 53.050 -0.001 0.000 0.856 239 N CB 0.075 38.564 38.487 0.003 0.000 0.993 239 N HN 0.345 nan 8.380 nan 0.000 0.426 240 Q N -1.014 118.785 119.800 -0.001 0.000 2.269 240 Q HA 0.025 4.369 4.340 0.007 0.000 0.201 240 Q C 1.825 177.824 176.000 -0.001 0.000 0.946 240 Q CA 0.829 56.631 55.803 -0.001 0.000 0.877 240 Q CB 0.205 28.942 28.738 -0.001 0.000 0.963 240 Q HN 0.535 nan 8.270 nan 0.000 0.472 241 R N -0.599 119.900 120.500 -0.000 0.000 2.250 241 R HA 0.140 4.484 4.340 0.007 0.000 0.194 241 R C 0.955 177.255 176.300 -0.001 0.000 0.927 241 R CA 0.309 56.409 56.100 -0.001 0.000 1.052 241 R CB -0.193 30.106 30.300 -0.002 0.000 1.055 241 R HN -0.140 nan 8.270 nan 0.000 0.537 242 T N 2.241 116.796 114.554 0.000 0.000 2.928 242 T HA 0.144 4.498 4.350 0.007 0.000 0.305 242 T C -1.722 172.976 174.700 -0.003 0.000 1.035 242 T CA -1.504 60.596 62.100 0.001 0.000 1.145 242 T CB 1.211 70.082 68.868 0.005 0.000 0.963 242 T HN 0.055 nan 8.240 nan 0.000 0.545 243 P HA 0.183 nan 4.420 nan 0.000 0.221 243 P C -0.286 177.013 177.300 -0.002 0.000 1.150 243 P CA 0.396 63.496 63.100 0.001 0.000 0.800 243 P CB 0.173 31.874 31.700 0.003 0.000 0.787 244 A N 0.188 123.000 122.820 -0.014 0.000 2.324 244 A HA 0.594 4.918 4.320 0.007 0.000 0.330 244 A C -2.555 174.986 177.584 -0.072 0.000 1.165 244 A CA -2.123 49.890 52.037 -0.040 0.000 0.813 244 A CB 0.399 19.370 19.000 -0.048 0.000 1.197 244 A HN -0.098 nan 8.150 nan 0.000 0.484 245 P HA 0.131 nan 4.420 nan 0.000 0.268 245 P C -0.670 176.516 177.300 -0.191 0.000 1.205 245 P CA 0.129 63.142 63.100 -0.145 0.000 0.771 245 P CB 0.539 32.132 31.700 -0.178 0.000 0.858 246 I N 3.782 124.275 120.570 -0.127 0.000 2.331 246 I HA 0.335 4.509 4.170 0.007 0.000 0.292 246 I C 0.759 176.806 176.117 -0.117 0.000 0.998 246 I CA -0.607 60.628 61.300 -0.108 0.000 1.267 246 I CB 0.590 38.564 38.000 -0.043 0.000 1.386 246 I HN 0.419 nan 8.210 nan 0.000 0.476 247 M N 6.055 125.564 119.600 -0.152 0.000 2.268 247 M HA 0.654 5.138 4.480 0.007 0.000 0.344 247 M C -0.475 175.796 176.300 -0.048 0.000 1.106 247 M CA -0.426 54.803 55.300 -0.118 0.000 1.010 247 M CB 1.478 33.931 32.600 -0.244 0.000 1.649 247 M HN 0.669 nan 8.290 nan 0.000 0.443 248 A N 3.481 126.327 122.820 0.043 0.000 2.309 248 A HA 0.437 4.761 4.320 0.007 0.000 0.298 248 A C -0.427 177.125 177.584 -0.054 0.000 1.165 248 A CA -0.425 51.601 52.037 -0.019 0.000 0.821 248 A CB 0.648 19.619 19.000 -0.049 0.000 1.102 248 A HN 0.967 nan 8.150 nan 0.000 0.500 249 D N 0.739 121.093 120.400 -0.077 0.000 3.045 249 D HA 0.022 4.666 4.640 0.007 0.000 0.196 249 D C 1.217 177.469 176.300 -0.080 0.000 1.520 249 D CA 0.378 54.343 54.000 -0.059 0.000 1.466 249 D CB -0.224 40.558 40.800 -0.031 0.000 1.152 249 D HN 0.383 nan 8.370 nan 0.000 0.254 250 E N 0.275 120.427 120.200 -0.080 0.000 2.265 250 E HA 0.004 4.358 4.350 0.007 0.000 0.196 250 E C 1.880 178.426 176.600 -0.090 0.000 0.996 250 E CA 0.749 57.098 56.400 -0.085 0.000 0.832 250 E CB -0.123 29.514 29.700 -0.106 0.000 0.756 250 E HN 0.087 nan 8.360 nan 0.000 0.491 251 S N -0.097 115.543 115.700 -0.101 0.000 2.507 251 S HA 0.012 4.486 4.470 0.007 0.000 0.235 251 S C 0.668 175.192 174.600 -0.127 0.000 0.988 251 S CA 0.441 58.581 58.200 -0.100 0.000 0.944 251 S CB -0.048 63.091 63.200 -0.102 0.000 0.762 251 S HN 0.185 nan 8.310 nan 0.000 0.526 252 I N 1.632 122.108 120.570 -0.156 0.000 2.330 252 I HA 0.229 4.403 4.170 0.007 0.000 0.286 252 I C 0.477 176.544 176.117 -0.083 0.000 1.025 252 I CA 0.016 61.215 61.300 -0.167 0.000 1.197 252 I CB 1.171 39.015 38.000 -0.261 0.000 1.358 252 I HN 0.064 nan 8.210 nan 0.000 0.467 253 E N 4.054 124.233 120.200 -0.035 0.000 2.583 253 E HA 0.156 4.510 4.350 0.007 0.000 0.213 253 E C -0.336 176.290 176.600 0.043 0.000 0.989 253 E CA -0.126 56.286 56.400 0.020 0.000 0.991 253 E CB 0.812 30.557 29.700 0.074 0.000 1.040 253 E HN 0.724 nan 8.360 nan 0.000 0.481 254 S N -2.244 113.464 115.700 0.012 0.000 2.633 254 S HA 0.114 4.588 4.470 0.007 0.000 0.271 254 S C 0.567 175.177 174.600 0.017 0.000 1.112 254 S CA -0.765 57.450 58.200 0.026 0.000 0.828 254 S CB 1.030 64.257 63.200 0.046 0.000 1.086 254 S HN -0.154 nan 8.310 nan 0.000 0.461 255 V N 1.441 121.375 119.914 0.034 0.000 2.407 255 V HA -0.125 3.999 4.120 0.007 0.000 0.248 255 V C 2.450 178.596 176.094 0.086 0.000 1.055 255 V CA 2.553 64.887 62.300 0.056 0.000 1.049 255 V CB -1.229 30.629 31.823 0.057 0.000 0.662 255 V HN 0.924 nan 8.190 nan 0.000 0.455 256 E N -0.004 120.242 120.200 0.077 0.000 2.204 256 E HA -0.179 4.175 4.350 0.007 0.000 0.194 256 E C 1.874 178.553 176.600 0.132 0.000 0.989 256 E CA 1.119 57.586 56.400 0.111 0.000 0.824 256 E CB -0.292 29.450 29.700 0.072 0.000 0.756 256 E HN 0.555 nan 8.360 nan 0.000 0.477 257 D N 0.028 120.466 120.400 0.063 0.000 2.144 257 D HA -0.074 4.570 4.640 0.007 0.000 0.200 257 D C 1.825 178.112 176.300 -0.022 0.000 0.978 257 D CA 1.277 55.287 54.000 0.017 0.000 0.833 257 D CB -0.226 40.554 40.800 -0.033 0.000 0.961 257 D HN 0.211 nan 8.370 nan 0.000 0.470 258 A N 0.335 123.139 122.820 -0.027 0.000 1.902 258 A HA -0.164 4.160 4.320 0.007 0.000 0.217 258 A C 2.098 179.794 177.584 0.186 0.000 1.181 258 A CA 0.941 52.950 52.037 -0.047 0.000 0.623 258 A CB -0.977 18.050 19.000 0.045 0.000 0.818 258 A HN 0.265 nan 8.150 nan 0.000 0.443 259 F N 0.814 120.827 119.950 0.105 0.000 2.102 259 F HA -0.152 4.379 4.527 0.007 0.000 0.298 259 F C 2.684 178.544 175.800 0.100 0.000 1.105 259 F CA 1.821 59.888 58.000 0.111 0.000 1.239 259 F CB -0.527 38.514 39.000 0.069 0.000 0.991 259 F HN 0.227 nan 8.300 nan 0.000 0.474 260 S N 0.467 116.199 115.700 0.053 0.000 2.353 260 S HA -0.205 4.269 4.470 0.007 0.000 0.222 260 S C 2.152 176.709 174.600 -0.071 0.000 1.035 260 S CA 1.837 60.029 58.200 -0.013 0.000 1.025 260 S CB -0.644 62.604 63.200 0.080 0.000 0.902 260 S HN 0.452 nan 8.310 nan 0.000 0.440 261 L N 0.962 122.181 121.223 -0.007 0.000 2.083 261 L HA -0.087 4.257 4.340 0.007 0.000 0.209 261 L C 2.900 179.835 176.870 0.109 0.000 1.083 261 L CA 1.240 56.114 54.840 0.057 0.000 0.752 261 L CB -0.680 41.410 42.059 0.051 0.000 0.899 261 L HN 0.408 nan 8.230 nan 0.000 0.433 262 A N 0.063 122.962 122.820 0.132 0.000 1.873 262 A HA -0.148 4.176 4.320 0.007 0.000 0.215 262 A C 2.538 180.020 177.584 -0.171 0.000 1.186 262 A CA 1.674 53.705 52.037 -0.010 0.000 0.616 262 A CB -0.765 18.205 19.000 -0.050 0.000 0.823 262 A HN 0.382 nan 8.150 nan 0.000 0.442 263 A N -0.337 122.266 122.820 -0.362 0.000 1.972 263 A HA -0.162 4.161 4.320 0.007 0.000 0.219 263 A C 1.655 179.150 177.584 -0.148 0.000 1.169 263 A CA 1.951 53.785 52.037 -0.338 0.000 0.635 263 A CB -0.485 18.206 19.000 -0.514 0.000 0.810 263 A HN 0.434 nan 8.150 nan 0.000 0.446 264 D N -1.259 119.080 120.400 -0.101 0.000 2.323 264 D HA 0.225 4.869 4.640 0.007 0.000 0.209 264 D C 1.312 177.597 176.300 -0.025 0.000 0.973 264 D CA 1.155 55.129 54.000 -0.042 0.000 0.874 264 D CB -0.135 40.653 40.800 -0.020 0.000 0.930 264 D HN 0.579 nan 8.370 nan 0.000 0.521 265 G N 0.503 109.288 108.800 -0.026 0.000 2.256 265 G HA2 -0.233 3.731 3.960 0.007 0.000 0.272 265 G HA3 -0.233 3.731 3.960 0.007 0.000 0.272 265 G C 0.965 175.870 174.900 0.009 0.000 1.076 265 G CA 0.465 45.556 45.100 -0.015 0.000 0.882 265 G HN 0.445 nan 8.290 nan 0.000 0.497 266 A N -1.347 121.496 122.820 0.038 0.000 2.178 266 A HA 0.798 5.121 4.320 0.007 0.000 0.211 266 A C 1.371 178.996 177.584 0.068 0.000 1.157 266 A CA 1.708 53.773 52.037 0.048 0.000 0.780 266 A CB 0.202 19.229 19.000 0.045 0.000 0.828 266 A HN 2.383 nan 8.150 nan 0.000 0.476 267 A N -1.309 121.571 122.820 0.100 0.000 2.605 267 A HA 0.547 4.871 4.320 0.007 0.000 0.294 267 A C 0.424 178.023 177.584 0.026 0.000 1.062 267 A CA 0.321 52.415 52.037 0.094 0.000 0.682 267 A CB 0.081 19.205 19.000 0.207 0.000 1.278 267 A HN 0.740 nan 8.150 nan 0.000 0.410 268 S N -0.126 115.563 115.700 -0.018 0.000 2.540 268 S HA 0.504 4.978 4.470 0.007 0.000 0.218 268 S C 0.228 174.786 174.600 -0.070 0.000 0.977 268 S CA 0.285 58.450 58.200 -0.057 0.000 0.918 268 S CB -0.552 62.632 63.200 -0.026 0.000 0.806 268 S HN 0.605 nan 8.310 nan 0.000 0.496 269 I N 1.066 121.611 120.570 -0.041 0.000 2.722 269 I HA 0.488 4.662 4.170 0.007 0.000 0.295 269 I C -1.540 174.705 176.117 0.214 0.000 1.161 269 I CA -0.867 60.434 61.300 0.001 0.000 1.032 269 I CB 2.093 40.022 38.000 -0.118 0.000 1.244 269 I HN -0.040 nan 8.210 nan 0.000 0.421 270 F N 3.162 123.121 119.950 0.015 0.000 2.482 270 F HA 0.678 5.206 4.527 0.003 0.000 0.331 270 F C 0.519 176.353 175.800 0.056 0.000 1.115 270 F CA -1.519 56.491 58.000 0.017 0.000 0.955 270 F CB 2.003 41.017 39.000 0.023 0.000 1.136 270 F HN 0.441 nan 8.300 nan 0.000 0.452 271 A N 4.995 127.949 122.820 0.223 0.000 2.328 271 A HA 0.655 4.979 4.320 0.007 0.000 0.284 271 A C -0.645 177.013 177.584 0.123 0.000 1.160 271 A CA -0.455 51.718 52.037 0.226 0.000 0.818 271 A CB 0.175 19.296 19.000 0.201 0.000 1.087 271 A HN 0.734 nan 8.150 nan 0.000 0.504 272 L N 2.973 124.235 121.223 0.065 0.000 2.265 272 L HA 0.410 4.754 4.340 0.007 0.000 0.289 272 L C -0.032 176.924 176.870 0.143 0.000 1.033 272 L CA -0.111 54.776 54.840 0.078 0.000 0.814 272 L CB 1.163 43.236 42.059 0.022 0.000 1.203 272 L HN 0.680 nan 8.230 nan 0.000 0.423 273 K N 3.948 124.403 120.400 0.092 0.000 2.426 273 K HA 0.332 4.656 4.320 0.007 0.000 0.254 273 K C 1.036 177.620 176.600 -0.027 0.000 0.936 273 K CA -0.547 55.764 56.287 0.041 0.000 0.801 273 K CB 2.662 35.135 32.500 -0.045 0.000 1.139 273 K HN 0.587 nan 8.250 nan 0.000 0.424 274 I N -0.294 120.244 120.570 -0.055 0.000 2.361 274 I HA -0.184 3.990 4.170 0.007 0.000 0.251 274 I C 1.814 177.807 176.117 -0.207 0.000 1.133 274 I CA 1.476 62.710 61.300 -0.110 0.000 1.413 274 I CB -0.205 37.713 38.000 -0.137 0.000 1.073 274 I HN 0.557 nan 8.210 nan 0.000 0.424 275 A N 1.740 124.352 122.820 -0.347 0.000 1.972 275 A HA -0.102 4.222 4.320 0.007 0.000 0.219 275 A C 2.228 179.334 177.584 -0.797 0.000 1.169 275 A CA 1.323 52.921 52.037 -0.731 0.000 0.635 275 A CB -0.355 17.973 19.000 -1.120 0.000 0.810 275 A HN 0.397 nan 8.150 nan 0.000 0.446 276 K N -0.433 119.699 120.400 -0.446 0.000 2.361 276 K HA 0.061 4.385 4.320 0.007 0.000 0.196 276 K C 0.725 177.266 176.600 -0.098 0.000 1.039 276 K CA 1.058 57.212 56.287 -0.221 0.000 1.001 276 K CB -0.265 32.162 32.500 -0.123 0.000 0.795 276 K HN 0.584 nan 8.250 nan 0.000 0.495 277 N N -0.599 118.042 118.700 -0.099 0.000 2.463 277 N HA 0.042 4.786 4.740 0.007 0.000 0.183 277 N C 0.668 176.161 175.510 -0.028 0.000 1.064 277 N CA 0.819 53.847 53.050 -0.037 0.000 0.879 277 N CB 1.128 39.607 38.487 -0.013 0.000 1.148 277 N HN 0.253 nan 8.380 nan 0.000 0.451 278 G N -0.790 107.973 108.800 -0.061 0.000 2.147 278 G HA2 0.272 4.236 3.960 0.007 0.000 0.128 278 G HA3 0.272 4.236 3.960 0.007 0.000 0.128 278 G C 0.233 175.111 174.900 -0.037 0.000 1.026 278 G CA -0.224 44.855 45.100 -0.034 0.000 0.693 278 G HN 0.699 nan 8.290 nan 0.000 0.499 279 G N -1.452 107.311 108.800 -0.060 0.000 2.355 279 G HA2 0.404 4.368 3.960 0.007 0.000 0.619 279 G HA3 0.404 4.368 3.960 0.007 0.000 0.619 279 G C -1.553 173.315 174.900 -0.053 0.000 1.337 279 G CA 0.166 45.232 45.100 -0.057 0.000 0.993 279 G HN 0.241 nan 8.290 nan 0.000 0.599 280 P HA -0.070 nan 4.420 nan 0.000 0.215 280 P C 1.974 179.261 177.300 -0.022 0.000 1.153 280 P CA 1.531 64.591 63.100 -0.067 0.000 0.853 280 P CB 0.028 31.680 31.700 -0.080 0.000 0.788 281 R N -0.681 119.811 120.500 -0.014 0.000 2.090 281 R HA 0.037 4.380 4.340 0.007 0.000 0.228 281 R C 2.314 178.624 176.300 0.017 0.000 1.110 281 R CA 1.355 57.458 56.100 0.005 0.000 0.973 281 R CB -1.006 29.295 30.300 0.001 0.000 0.869 281 R HN 0.134 nan 8.270 nan 0.000 0.440 282 A N 0.702 123.528 122.820 0.011 0.000 1.898 282 A HA -0.104 4.220 4.320 0.007 0.000 0.216 282 A C 2.265 179.872 177.584 0.039 0.000 1.181 282 A CA 1.165 53.215 52.037 0.021 0.000 0.620 282 A CB -0.619 18.386 19.000 0.008 0.000 0.819 282 A HN 0.180 nan 8.150 nan 0.000 0.442 283 V N 0.069 120.008 119.914 0.041 0.000 2.594 283 V HA -0.177 3.947 4.120 0.007 0.000 0.253 283 V C 2.293 178.457 176.094 0.117 0.000 1.069 283 V CA 1.773 64.125 62.300 0.087 0.000 1.082 283 V CB -0.398 31.495 31.823 0.118 0.000 0.680 283 V HN 0.592 nan 8.190 nan 0.000 0.469 284 L N -0.899 120.379 121.223 0.092 0.000 2.156 284 L HA -0.077 4.266 4.340 0.007 0.000 0.208 284 L C 2.721 179.643 176.870 0.086 0.000 1.095 284 L CA 1.226 56.123 54.840 0.095 0.000 0.770 284 L CB -0.529 41.573 42.059 0.071 0.000 0.914 284 L HN 0.244 nan 8.230 nan 0.000 0.439 285 R N -0.616 119.929 120.500 0.074 0.000 2.075 285 R HA -0.113 4.231 4.340 0.007 0.000 0.232 285 R C 2.256 178.619 176.300 0.105 0.000 1.126 285 R CA 1.788 57.934 56.100 0.076 0.000 0.963 285 R CB -0.531 29.805 30.300 0.060 0.000 0.858 285 R HN 0.278 nan 8.270 nan 0.000 0.435 286 T N 0.869 115.493 114.554 0.116 0.000 2.777 286 T HA -0.098 4.256 4.350 0.007 0.000 0.266 286 T C 1.912 176.728 174.700 0.193 0.000 1.040 286 T CA 1.349 63.545 62.100 0.160 0.000 1.141 286 T CB -0.166 68.781 68.868 0.133 0.000 0.868 286 T HN 0.366 nan 8.240 nan 0.000 0.444 287 A N 1.361 124.274 122.820 0.155 0.000 1.902 287 A HA -0.163 4.161 4.320 0.007 0.000 0.217 287 A C 2.251 179.895 177.584 0.099 0.000 1.181 287 A CA 1.521 53.637 52.037 0.131 0.000 0.623 287 A CB -0.620 18.449 19.000 0.115 0.000 0.818 287 A HN 0.549 nan 8.150 nan 0.000 0.443 288 Q N -0.502 119.355 119.800 0.094 0.000 2.124 288 Q HA -0.075 4.269 4.340 0.007 0.000 0.202 288 Q C 1.972 178.022 176.000 0.084 0.000 0.977 288 Q CA 1.472 57.320 55.803 0.075 0.000 0.850 288 Q CB -0.317 28.462 28.738 0.069 0.000 0.901 288 Q HN 0.743 nan 8.270 nan 0.000 0.429 289 I N 0.545 121.189 120.570 0.123 0.000 2.179 289 I HA -0.273 3.901 4.170 0.007 0.000 0.242 289 I C 2.414 178.584 176.117 0.089 0.000 1.088 289 I CA 0.918 62.309 61.300 0.152 0.000 1.357 289 I CB -0.417 37.726 38.000 0.240 0.000 1.051 289 I HN 0.177 nan 8.210 nan 0.000 0.409 290 A N 0.293 123.155 122.820 0.070 0.000 1.908 290 A HA -0.218 4.106 4.320 0.007 0.000 0.218 290 A C 2.266 179.794 177.584 -0.093 0.000 1.181 290 A CA 1.572 53.540 52.037 -0.116 0.000 0.627 290 A CB -0.478 18.440 19.000 -0.138 0.000 0.818 290 A HN 0.368 nan 8.150 nan 0.000 0.445 291 E N -0.282 119.905 120.200 -0.022 0.000 2.077 291 E HA -0.147 4.207 4.350 0.007 0.000 0.193 291 E C 2.310 178.902 176.600 -0.013 0.000 0.989 291 E CA 1.210 57.599 56.400 -0.017 0.000 0.800 291 E CB -0.413 29.292 29.700 0.007 0.000 0.746 291 E HN 0.583 nan 8.360 nan 0.000 0.452 292 A N 0.839 123.664 122.820 0.009 0.000 2.067 292 A HA 0.014 4.338 4.320 0.007 0.000 0.219 292 A C 2.157 179.741 177.584 0.000 0.000 1.158 292 A CA 1.550 53.598 52.037 0.018 0.000 0.661 292 A CB -0.135 18.895 19.000 0.051 0.000 0.801 292 A HN 0.230 nan 8.150 nan 0.000 0.452 293 A N -2.278 120.524 122.820 -0.030 0.000 2.220 293 A HA 0.448 4.772 4.320 0.007 0.000 0.211 293 A C 1.691 179.228 177.584 -0.080 0.000 1.176 293 A CA 1.115 53.115 52.037 -0.061 0.000 0.834 293 A CB -0.431 18.509 19.000 -0.101 0.000 0.868 293 A HN 1.788 nan 8.150 nan 0.000 0.488 294 G N -0.645 108.108 108.800 -0.079 0.000 2.132 294 G HA2 -0.189 3.775 3.960 0.007 0.000 0.234 294 G HA3 -0.189 3.775 3.960 0.007 0.000 0.234 294 G C 0.027 174.865 174.900 -0.102 0.000 0.989 294 G CA 0.174 45.230 45.100 -0.072 0.000 0.676 294 G HN 0.418 nan 8.290 nan 0.000 0.522 295 I N 1.631 122.095 120.570 -0.176 0.000 2.395 295 I HA 0.479 4.653 4.170 0.007 0.000 0.289 295 I C 1.441 177.457 176.117 -0.168 0.000 1.023 295 I CA -0.105 61.037 61.300 -0.263 0.000 1.350 295 I CB 1.234 38.870 38.000 -0.607 0.000 1.409 295 I HN 0.155 nan 8.210 nan 0.000 0.507 296 G N 6.566 115.331 108.800 -0.058 0.000 2.569 296 G HA2 0.506 4.470 3.960 0.007 0.000 0.249 296 G HA3 0.506 4.470 3.960 0.007 0.000 0.249 296 G C -0.543 174.417 174.900 0.100 0.000 1.216 296 G CA -0.461 44.683 45.100 0.074 0.000 0.845 296 G HN 0.459 nan 8.290 nan 0.000 0.568 297 L N -0.189 121.123 121.223 0.148 0.000 2.319 297 L HA 0.598 4.942 4.340 0.007 0.000 0.267 297 L C -1.051 175.969 176.870 0.249 0.000 1.011 297 L CA -1.111 53.817 54.840 0.145 0.000 0.818 297 L CB 2.384 44.462 42.059 0.032 0.000 1.316 297 L HN 0.570 nan 8.230 nan 0.000 0.432 298 Y N -0.095 120.202 120.300 -0.004 0.000 2.441 298 Y HA 0.591 5.145 4.550 0.007 0.000 0.334 298 Y C -0.117 175.640 175.900 -0.237 0.000 1.061 298 Y CA -0.969 57.109 58.100 -0.036 0.000 1.032 298 Y CB 2.076 40.563 38.460 0.044 0.000 1.266 298 Y HN 0.512 nan 8.280 nan 0.000 0.441 299 G N 3.199 111.528 108.800 -0.786 0.000 2.356 299 G HA2 0.475 4.439 3.960 0.007 0.000 0.300 299 G HA3 0.475 4.439 3.960 0.007 0.000 0.300 299 G C 0.066 174.574 174.900 -0.653 0.000 1.107 299 G CA 0.065 44.531 45.100 -1.057 0.000 0.960 299 G HN 0.970 nan 8.290 nan 0.000 0.418 300 G N 0.201 108.839 108.800 -0.270 0.000 2.531 300 G HA2 0.642 4.606 3.960 0.007 0.000 0.313 300 G HA3 0.642 4.606 3.960 0.007 0.000 0.313 300 G C -0.506 174.378 174.900 -0.027 0.000 1.238 300 G CA -0.309 44.712 45.100 -0.132 0.000 0.994 300 G HN 0.746 nan 8.290 nan 0.000 0.493 301 T N -1.033 113.473 114.554 -0.080 0.000 2.843 301 T HA 0.455 4.809 4.350 0.007 0.000 0.302 301 T C -0.068 174.563 174.700 -0.116 0.000 1.232 301 T CA -0.662 61.366 62.100 -0.120 0.000 1.009 301 T CB 1.492 70.210 68.868 -0.250 0.000 1.254 301 T HN 0.182 nan 8.240 nan 0.000 0.504 302 M N 3.181 122.717 119.600 -0.106 0.000 2.589 302 M HA 0.410 4.894 4.480 0.007 0.000 0.344 302 M C 0.307 176.552 176.300 -0.092 0.000 1.168 302 M CA 0.111 55.371 55.300 -0.065 0.000 0.956 302 M CB -0.819 31.792 32.600 0.017 0.000 1.370 302 M HN 0.696 nan 8.290 nan 0.000 0.518 303 L N 0.400 121.528 121.223 -0.159 0.000 3.730 303 L HA -0.243 4.101 4.340 0.007 0.000 0.410 303 L C -0.257 176.563 176.870 -0.083 0.000 1.234 303 L CA 0.177 54.925 54.840 -0.153 0.000 0.911 303 L CB -1.812 40.178 42.059 -0.115 0.000 1.942 303 L HN 0.297 nan 8.230 nan 0.000 0.860 304 E N 0.187 120.340 120.200 -0.077 0.000 2.409 304 E HA 0.437 4.791 4.350 0.007 0.000 0.257 304 E C 0.997 177.587 176.600 -0.016 0.000 1.150 304 E CA 0.763 57.141 56.400 -0.037 0.000 0.942 304 E CB 0.517 30.191 29.700 -0.042 0.000 0.979 304 E HN 0.284 nan 8.360 nan 0.000 0.447 305 G N -0.229 108.571 108.800 0.001 0.000 2.509 305 G HA2 0.062 4.026 3.960 0.007 0.000 0.269 305 G HA3 0.062 4.026 3.960 0.007 0.000 0.269 305 G C 0.714 175.634 174.900 0.033 0.000 1.416 305 G CA -0.288 44.826 45.100 0.022 0.000 1.052 305 G HN 0.442 nan 8.290 nan 0.000 0.542 306 S N -0.730 114.998 115.700 0.047 0.000 2.383 306 S HA -0.125 4.349 4.470 0.007 0.000 0.229 306 S C 2.363 176.974 174.600 0.019 0.000 1.030 306 S CA 1.056 59.284 58.200 0.047 0.000 1.002 306 S CB -0.360 62.872 63.200 0.053 0.000 0.829 306 S HN 0.423 nan 8.310 nan 0.000 0.467 307 I N 1.171 121.746 120.570 0.008 0.000 2.142 307 I HA -0.148 4.026 4.170 0.007 0.000 0.240 307 I C 2.730 178.831 176.117 -0.026 0.000 1.078 307 I CA 1.371 62.666 61.300 -0.009 0.000 1.343 307 I CB -0.867 37.129 38.000 -0.007 0.000 1.046 307 I HN 0.377 nan 8.210 nan 0.000 0.405 308 G N -0.228 108.556 108.800 -0.028 0.000 2.421 308 G HA2 -0.168 3.796 3.960 0.007 0.000 0.217 308 G HA3 -0.168 3.796 3.960 0.007 0.000 0.217 308 G C 1.652 176.510 174.900 -0.069 0.000 1.143 308 G CA 1.105 46.173 45.100 -0.052 0.000 0.784 308 G HN 0.267 nan 8.290 nan 0.000 0.541 309 T N 1.533 116.063 114.554 -0.040 0.000 2.708 309 T HA -0.031 4.323 4.350 0.007 0.000 0.266 309 T C 2.298 176.968 174.700 -0.051 0.000 1.037 309 T CA 0.563 62.642 62.100 -0.035 0.000 1.146 309 T CB -0.146 68.738 68.868 0.026 0.000 0.865 309 T HN -0.007 nan 8.240 nan 0.000 0.435 310 L N 0.919 122.133 121.223 -0.015 0.000 2.093 310 L HA -0.000 4.344 4.340 0.007 0.000 0.208 310 L C 2.939 179.846 176.870 0.062 0.000 1.085 310 L CA 1.651 56.516 54.840 0.041 0.000 0.755 310 L CB -1.539 40.561 42.059 0.068 0.000 0.904 310 L HN 0.261 nan 8.230 nan 0.000 0.435 311 A N -0.777 122.015 122.820 -0.047 0.000 1.933 311 A HA -0.162 4.162 4.320 0.007 0.000 0.218 311 A C 2.536 179.997 177.584 -0.204 0.000 1.175 311 A CA 1.872 53.848 52.037 -0.102 0.000 0.628 311 A CB -0.408 18.524 19.000 -0.113 0.000 0.814 311 A HN 0.447 nan 8.150 nan 0.000 0.444 312 S N 0.123 115.637 115.700 -0.309 0.000 2.345 312 S HA -0.024 4.450 4.470 0.007 0.000 0.220 312 S C 2.385 176.423 174.600 -0.937 0.000 1.031 312 S CA 1.171 58.944 58.200 -0.710 0.000 0.996 312 S CB -0.666 62.188 63.200 -0.577 0.000 0.882 312 S HN 0.828 nan 8.310 nan 0.000 0.445 313 A N 1.583 124.134 122.820 -0.449 0.000 1.927 313 A HA -0.258 4.066 4.320 0.007 0.000 0.220 313 A C 1.822 179.265 177.584 -0.235 0.000 1.185 313 A CA 2.253 54.137 52.037 -0.254 0.000 0.639 313 A CB -1.121 17.795 19.000 -0.139 0.000 0.820 313 A HN 0.586 nan 8.150 nan 0.000 0.451 314 H N -0.798 118.148 119.070 -0.208 0.000 2.387 314 H HA 0.082 4.642 4.556 0.006 0.000 0.299 314 H C 2.390 177.648 175.328 -0.118 0.000 1.090 314 H CA 1.631 57.601 56.048 -0.130 0.000 1.332 314 H CB -0.103 29.594 29.762 -0.109 0.000 1.386 314 H HN 0.544 nan 8.280 nan 0.000 0.516 315 A N 0.132 122.887 122.820 -0.108 0.000 1.898 315 A HA -0.076 4.248 4.320 0.007 0.000 0.214 315 A C 1.582 179.222 177.584 0.094 0.000 1.183 315 A CA 0.937 52.943 52.037 -0.052 0.000 0.622 315 A CB -0.518 18.407 19.000 -0.125 0.000 0.824 315 A HN 0.281 nan 8.150 nan 0.000 0.444 316 F N 0.425 120.364 119.950 -0.017 0.000 2.293 316 F HA -0.023 4.509 4.527 0.007 0.000 0.300 316 F C 1.948 177.723 175.800 -0.042 0.000 1.086 316 F CA 0.047 58.028 58.000 -0.031 0.000 1.375 316 F CB -1.063 37.908 39.000 -0.048 0.000 1.045 316 F HN 0.101 nan 8.300 nan 0.000 0.516 317 L N -0.073 121.210 121.223 0.101 0.000 2.265 317 L HA -0.172 4.172 4.340 0.007 0.000 0.215 317 L C 2.337 179.223 176.870 0.027 0.000 1.117 317 L CA 1.756 56.608 54.840 0.019 0.000 0.782 317 L CB -1.041 40.974 42.059 -0.073 0.000 0.914 317 L HN 0.283 nan 8.230 nan 0.000 0.441 318 T N -3.248 111.337 114.554 0.051 0.000 3.081 318 T HA 0.075 4.429 4.350 0.007 0.000 0.255 318 T C 0.718 175.446 174.700 0.047 0.000 1.113 318 T CA -0.279 61.847 62.100 0.043 0.000 1.082 318 T CB -0.043 68.853 68.868 0.046 0.000 0.939 318 T HN -0.132 nan 8.240 nan 0.000 0.506 319 L N 2.589 123.851 121.223 0.064 0.000 2.416 319 L HA 0.413 4.757 4.340 0.007 0.000 0.272 319 L C 1.758 178.639 176.870 0.019 0.000 1.161 319 L CA -0.160 54.708 54.840 0.047 0.000 0.845 319 L CB 0.503 42.593 42.059 0.052 0.000 1.119 319 L HN 0.199 nan 8.230 nan 0.000 0.464 320 R N 1.933 122.439 120.500 0.010 0.000 2.083 320 R HA -0.116 4.228 4.340 0.007 0.000 0.237 320 R C 0.279 176.569 176.300 -0.016 0.000 1.137 320 R CA 1.427 57.525 56.100 -0.003 0.000 0.951 320 R CB 0.298 30.596 30.300 -0.004 0.000 0.851 320 R HN 0.760 nan 8.270 nan 0.000 0.434 321 Q N -0.675 119.113 119.800 -0.021 0.000 2.386 321 Q HA 0.309 4.653 4.340 0.007 0.000 0.274 321 Q C -2.039 173.934 176.000 -0.045 0.000 1.011 321 Q CA -0.551 55.227 55.803 -0.040 0.000 0.867 321 Q CB 1.863 30.569 28.738 -0.053 0.000 1.409 321 Q HN 0.198 nan 8.270 nan 0.000 0.395 322 L N 3.503 124.691 121.223 -0.059 0.000 2.433 322 L HA 0.327 4.671 4.340 0.007 0.000 0.256 322 L C 0.850 177.673 176.870 -0.078 0.000 1.063 322 L CA -0.209 54.599 54.840 -0.053 0.000 0.922 322 L CB 1.484 43.496 42.059 -0.078 0.000 1.238 322 L HN 0.801 nan 8.230 nan 0.000 0.466 323 T N -0.031 114.440 114.554 -0.137 0.000 2.778 323 T HA -0.196 4.158 4.350 0.007 0.000 0.269 323 T C 0.838 175.187 174.700 -0.584 0.000 1.050 323 T CA 2.065 63.919 62.100 -0.409 0.000 1.137 323 T CB -0.160 68.377 68.868 -0.552 0.000 0.860 323 T HN 0.558 nan 8.240 nan 0.000 0.468 324 W N 0.958 122.289 121.300 0.052 0.000 3.132 324 W HA 0.499 5.162 4.660 0.006 0.000 0.364 324 W C 1.392 178.044 176.519 0.221 0.000 1.129 324 W CA -0.054 57.353 57.345 0.103 0.000 1.815 324 W CB -0.176 29.314 29.460 0.051 0.000 1.099 324 W HN 0.498 nan 8.180 nan 0.000 0.605 325 G N 1.137 110.073 108.800 0.226 0.000 2.593 325 G HA2 -0.092 3.872 3.960 0.007 0.000 0.237 325 G HA3 -0.092 3.872 3.960 0.007 0.000 0.237 325 G C -0.011 174.893 174.900 0.006 0.000 1.312 325 G CA 0.082 45.264 45.100 0.137 0.000 0.896 325 G HN 0.396 nan 8.290 nan 0.000 0.574 326 T N -2.827 111.684 114.554 -0.070 0.000 2.865 326 T HA 0.731 5.085 4.350 0.007 0.000 0.294 326 T C 0.032 174.644 174.700 -0.146 0.000 1.119 326 T CA 0.428 62.325 62.100 -0.338 0.000 1.007 326 T CB 2.084 70.879 68.868 -0.121 0.000 1.225 326 T HN 1.529 nan 8.240 nan 0.000 0.515 327 E N 1.163 121.238 120.200 -0.209 0.000 3.385 327 E HA 0.304 4.658 4.350 0.007 0.000 0.206 327 E C -0.252 176.308 176.600 -0.068 0.000 0.997 327 E CA -0.544 55.906 56.400 0.083 0.000 1.278 327 E CB -0.099 29.689 29.700 0.146 0.000 1.165 327 E HN 0.506 nan 8.360 nan 0.000 0.452 328 L N 2.359 123.621 121.223 0.064 0.000 2.533 328 L HA 0.193 4.537 4.340 0.007 0.000 0.239 328 L C 0.074 177.102 176.870 0.264 0.000 1.376 328 L CA -0.315 54.566 54.840 0.070 0.000 1.240 328 L CB -0.733 41.409 42.059 0.139 0.000 1.487 328 L HN 0.439 nan 8.230 nan 0.000 0.419 329 F N -2.466 117.627 119.950 0.238 0.000 2.678 329 F HA 0.414 4.944 4.527 0.006 0.000 0.305 329 F C 1.733 177.640 175.800 0.179 0.000 1.090 329 F CA -0.531 57.612 58.000 0.238 0.000 1.272 329 F CB -0.835 38.365 39.000 0.332 0.000 1.060 329 F HN 0.111 nan 8.300 nan 0.000 0.576 330 G N 2.343 111.093 108.800 -0.083 0.000 2.574 330 G HA2 -0.273 3.691 3.960 0.007 0.000 0.220 330 G HA3 -0.273 3.691 3.960 0.007 0.000 0.220 330 G C -0.594 174.396 174.900 0.151 0.000 1.173 330 G CA 1.359 46.459 45.100 -0.001 0.000 0.772 330 G HN 0.314 nan 8.290 nan 0.000 0.585 331 P HA -0.036 nan 4.420 nan 0.000 0.219 331 P C 1.846 179.254 177.300 0.180 0.000 1.146 331 P CA 0.661 63.873 63.100 0.186 0.000 0.808 331 P CB -0.135 31.729 31.700 0.274 0.000 0.779 332 L N -1.876 119.465 121.223 0.197 0.000 2.456 332 L HA -0.075 4.268 4.340 0.007 0.000 0.224 332 L C 1.910 178.931 176.870 0.251 0.000 1.148 332 L CA 0.815 55.755 54.840 0.167 0.000 0.825 332 L CB -0.592 41.533 42.059 0.110 0.000 0.937 332 L HN 0.020 nan 8.230 nan 0.000 0.450 333 L N -0.656 120.723 121.223 0.259 0.000 2.529 333 L HA 0.126 4.470 4.340 0.007 0.000 0.223 333 L C 0.545 177.479 176.870 0.107 0.000 1.113 333 L CA -0.060 54.900 54.840 0.200 0.000 0.861 333 L CB 0.070 42.237 42.059 0.179 0.000 1.012 333 L HN 0.151 nan 8.230 nan 0.000 0.461 334 L N -0.593 120.680 121.223 0.083 0.000 2.312 334 L HA 0.214 4.558 4.340 0.007 0.000 0.281 334 L C 1.285 178.167 176.870 0.020 0.000 1.070 334 L CA -0.244 54.610 54.840 0.023 0.000 0.805 334 L CB 1.533 43.593 42.059 0.002 0.000 1.174 334 L HN -0.103 nan 8.230 nan 0.000 0.434 335 T N 0.194 114.740 114.554 -0.013 0.000 2.978 335 T HA 0.054 4.408 4.350 0.007 0.000 0.262 335 T C 0.348 175.044 174.700 -0.006 0.000 1.063 335 T CA 0.823 62.925 62.100 0.003 0.000 1.140 335 T CB 0.072 68.943 68.868 0.005 0.000 0.886 335 T HN 0.514 nan 8.240 nan 0.000 0.470 336 E N 0.687 120.841 120.200 -0.077 0.000 2.367 336 E HA 0.527 4.881 4.350 0.007 0.000 0.273 336 E C -0.774 175.759 176.600 -0.112 0.000 0.903 336 E CA -0.512 55.844 56.400 -0.073 0.000 0.764 336 E CB 2.566 32.175 29.700 -0.152 0.000 1.252 336 E HN 0.252 nan 8.360 nan 0.000 0.446 337 E N 0.676 120.867 120.200 -0.015 0.000 2.423 337 E HA 0.324 4.678 4.350 0.007 0.000 0.269 337 E C 0.116 176.752 176.600 0.060 0.000 0.948 337 E CA -0.721 55.678 56.400 -0.002 0.000 0.802 337 E CB 1.619 31.337 29.700 0.030 0.000 1.339 337 E HN 0.394 nan 8.360 nan 0.000 0.445 338 I N -1.454 119.152 120.570 0.060 0.000 3.927 338 I HA 0.164 4.338 4.170 0.007 0.000 0.332 338 I C 0.024 176.181 176.117 0.067 0.000 1.485 338 I CA -0.353 61.003 61.300 0.094 0.000 1.131 338 I CB 0.344 38.404 38.000 0.100 0.000 1.092 338 I HN 0.113 nan 8.210 nan 0.000 0.410 339 V N -2.472 117.475 119.914 0.055 0.000 3.046 339 V HA 0.626 4.750 4.120 0.007 0.000 0.316 339 V C 0.564 176.685 176.094 0.045 0.000 1.104 339 V CA -0.539 61.787 62.300 0.043 0.000 1.006 339 V CB 1.676 33.519 31.823 0.034 0.000 1.058 339 V HN 0.090 nan 8.190 nan 0.000 0.440 340 N N 0.404 119.126 118.700 0.036 0.000 2.395 340 N HA 0.032 4.776 4.740 0.007 0.000 0.175 340 N C -0.037 175.492 175.510 0.032 0.000 1.029 340 N CA 0.618 53.688 53.050 0.034 0.000 0.897 340 N CB 0.149 38.652 38.487 0.026 0.000 0.991 340 N HN 0.821 nan 8.380 nan 0.000 0.441 341 E N 2.041 122.259 120.200 0.030 0.000 2.089 341 E HA 0.240 4.594 4.350 0.007 0.000 0.284 341 E C -2.219 174.403 176.600 0.037 0.000 1.023 341 E CA -1.759 54.657 56.400 0.028 0.000 0.819 341 E CB 0.992 30.704 29.700 0.021 0.000 1.076 341 E HN 0.212 nan 8.360 nan 0.000 0.396 342 P HA 0.227 nan 4.420 nan 0.000 0.279 342 P C -2.420 174.913 177.300 0.055 0.000 1.239 342 P CA -1.478 61.658 63.100 0.061 0.000 0.789 342 P CB 0.437 32.174 31.700 0.063 0.000 0.933 343 P HA 0.169 nan 4.420 nan 0.000 0.269 343 P C -0.618 176.669 177.300 -0.022 0.000 1.209 343 P CA 0.070 63.167 63.100 -0.004 0.000 0.776 343 P CB 0.333 32.047 31.700 0.023 0.000 0.876 344 Q N 1.545 121.270 119.800 -0.124 0.000 2.398 344 Q HA 0.333 4.677 4.340 0.007 0.000 0.251 344 Q C -1.118 174.826 176.000 -0.094 0.000 0.999 344 Q CA -0.160 55.609 55.803 -0.057 0.000 0.874 344 Q CB 0.467 29.183 28.738 -0.036 0.000 1.215 344 Q HN 0.446 nan 8.270 nan 0.000 0.470 345 Y N 2.756 123.090 120.300 0.057 0.000 2.334 345 Y HA 0.451 5.004 4.550 0.006 0.000 0.336 345 Y C 0.079 175.967 175.900 -0.019 0.000 0.960 345 Y CA -0.723 57.403 58.100 0.044 0.000 1.164 345 Y CB 1.146 39.596 38.460 -0.016 0.000 1.155 345 Y HN 0.494 nan 8.280 nan 0.000 0.478 346 R N 1.199 121.794 120.500 0.159 0.000 2.629 346 R HA 0.397 4.741 4.340 0.007 0.000 0.266 346 R C -1.637 174.666 176.300 0.005 0.000 1.051 346 R CA -0.950 55.144 56.100 -0.011 0.000 0.895 346 R CB 1.411 31.654 30.300 -0.096 0.000 1.246 346 R HN 0.529 nan 8.270 nan 0.000 0.459 347 D N 2.585 122.840 120.400 -0.242 0.000 2.697 347 D HA -0.198 4.446 4.640 0.007 0.000 0.238 347 D C -0.457 175.702 176.300 -0.234 0.000 1.152 347 D CA 1.689 55.465 54.000 -0.374 0.000 0.666 347 D CB -0.838 39.914 40.800 -0.080 0.000 1.037 347 D HN 0.706 nan 8.370 nan 0.000 0.423 348 F N -2.869 117.064 119.950 -0.029 0.000 2.935 348 F HA -0.345 4.186 4.527 0.007 0.000 0.317 348 F C 1.137 176.939 175.800 0.004 0.000 0.699 348 F CA 1.312 59.286 58.000 -0.043 0.000 1.127 348 F CB -1.879 37.107 39.000 -0.022 0.000 1.491 348 F HN 0.293 nan 8.300 nan 0.000 0.337 349 Q N -0.454 119.416 119.800 0.116 0.000 2.528 349 Q HA 0.760 5.104 4.340 0.007 0.000 0.289 349 Q C -1.202 174.770 176.000 -0.046 0.000 1.091 349 Q CA -1.472 54.335 55.803 0.008 0.000 0.797 349 Q CB 2.703 31.326 28.738 -0.192 0.000 1.466 349 Q HN 0.116 nan 8.270 nan 0.000 0.436 350 L N 1.271 122.386 121.223 -0.181 0.000 2.287 350 L HA 0.355 4.699 4.340 0.007 0.000 0.287 350 L C -1.231 175.395 176.870 -0.406 0.000 1.022 350 L CA -0.095 54.546 54.840 -0.332 0.000 0.814 350 L CB 0.827 42.711 42.059 -0.292 0.000 1.217 350 L HN 0.527 nan 8.230 nan 0.000 0.420 351 H N 6.077 125.026 119.070 -0.201 0.000 2.488 351 H HA 0.416 4.976 4.556 0.007 0.000 0.322 351 H C -0.845 174.396 175.328 -0.144 0.000 1.078 351 H CA -0.457 55.510 56.048 -0.135 0.000 1.260 351 H CB 1.666 31.366 29.762 -0.103 0.000 1.425 351 H HN 0.465 nan 8.280 nan 0.000 0.471 352 I N 6.309 126.838 120.570 -0.067 0.000 2.362 352 I HA 0.180 4.354 4.170 0.007 0.000 0.289 352 I C -1.887 174.194 176.117 -0.060 0.000 0.994 352 I CA -1.911 59.325 61.300 -0.107 0.000 1.158 352 I CB 1.474 39.322 38.000 -0.253 0.000 1.315 352 I HN 0.401 nan 8.210 nan 0.000 0.451 353 P HA 0.246 nan 4.420 nan 0.000 0.274 353 P C -0.526 176.788 177.300 0.024 0.000 1.256 353 P CA -0.612 62.493 63.100 0.007 0.000 0.795 353 P CB 0.782 32.493 31.700 0.018 0.000 1.038 354 R N 0.027 120.542 120.500 0.025 0.000 3.534 354 R HA 0.215 4.559 4.340 0.007 0.000 0.312 354 R C 0.373 176.699 176.300 0.042 0.000 1.419 354 R CA -0.162 55.961 56.100 0.037 0.000 1.262 354 R CB -0.399 29.913 30.300 0.019 0.000 1.437 354 R HN 0.554 nan 8.270 nan 0.000 0.627 355 T N -1.975 112.611 114.554 0.054 0.000 2.918 355 T HA 0.396 4.750 4.350 0.007 0.000 0.283 355 T C -2.427 172.291 174.700 0.030 0.000 1.001 355 T CA -2.537 59.584 62.100 0.034 0.000 1.041 355 T CB 1.792 70.676 68.868 0.027 0.000 1.028 355 T HN -0.126 nan 8.240 nan 0.000 0.511 356 P HA 0.317 nan 4.420 nan 0.000 0.267 356 P C 1.160 178.434 177.300 -0.042 0.000 1.200 356 P CA 1.321 64.414 63.100 -0.012 0.000 0.772 356 P CB -0.026 31.666 31.700 -0.012 0.000 0.855 357 G N 1.927 110.681 108.800 -0.075 0.000 2.574 357 G HA2 -0.313 3.651 3.960 0.007 0.000 0.286 357 G HA3 -0.313 3.651 3.960 0.007 0.000 0.286 357 G C 0.679 175.423 174.900 -0.260 0.000 1.212 357 G CA 0.178 45.195 45.100 -0.137 0.000 0.979 357 G HN 0.494 nan 8.290 nan 0.000 0.557 358 L N 2.100 123.177 121.223 -0.243 0.000 2.558 358 L HA 0.363 4.707 4.340 0.007 0.000 0.225 358 L C 2.329 179.145 176.870 -0.089 0.000 1.128 358 L CA 0.956 55.620 54.840 -0.293 0.000 0.868 358 L CB -0.406 41.544 42.059 -0.181 0.000 1.006 358 L HN 1.982 nan 8.230 nan 0.000 0.454 359 G N 0.895 109.664 108.800 -0.051 0.000 2.160 359 G HA2 -0.277 3.687 3.960 0.007 0.000 0.251 359 G HA3 -0.277 3.687 3.960 0.007 0.000 0.251 359 G C -0.055 174.847 174.900 0.003 0.000 1.008 359 G CA 0.195 45.296 45.100 0.002 0.000 0.724 359 G HN 0.269 nan 8.290 nan 0.000 0.514 360 L N -0.054 121.163 121.223 -0.011 0.000 2.354 360 L HA 0.883 5.227 4.340 0.007 0.000 0.264 360 L C 0.373 177.241 176.870 -0.003 0.000 1.008 360 L CA -0.499 54.340 54.840 -0.001 0.000 0.819 360 L CB 2.590 44.649 42.059 -0.001 0.000 1.339 360 L HN 0.343 nan 8.230 nan 0.000 0.420 361 T N -0.864 113.693 114.554 0.006 0.000 2.912 361 T HA 0.592 4.946 4.350 0.007 0.000 0.299 361 T C -0.573 174.136 174.700 0.016 0.000 1.052 361 T CA -0.795 61.309 62.100 0.007 0.000 0.996 361 T CB 1.231 70.103 68.868 0.008 0.000 1.070 361 T HN 0.323 nan 8.240 nan 0.000 0.465 362 L N 2.288 123.520 121.223 0.016 0.000 2.426 362 L HA 0.329 4.673 4.340 0.007 0.000 0.271 362 L C 0.379 177.267 176.870 0.030 0.000 1.169 362 L CA -0.414 54.441 54.840 0.026 0.000 0.836 362 L CB 0.376 42.450 42.059 0.025 0.000 1.112 362 L HN 0.770 nan 8.230 nan 0.000 0.465 363 D N 2.459 122.885 120.400 0.043 0.000 2.456 363 D HA 0.038 4.682 4.640 0.007 0.000 0.219 363 D C 0.965 177.292 176.300 0.045 0.000 1.126 363 D CA -0.244 53.783 54.000 0.045 0.000 0.890 363 D CB 0.790 41.627 40.800 0.062 0.000 1.025 363 D HN 0.377 nan 8.370 nan 0.000 0.511 364 E N 2.541 122.759 120.200 0.030 0.000 2.171 364 E HA -0.245 4.109 4.350 0.007 0.000 0.197 364 E C 1.272 177.882 176.600 0.016 0.000 0.997 364 E CA 1.231 57.645 56.400 0.022 0.000 0.810 364 E CB 0.187 29.895 29.700 0.013 0.000 0.738 364 E HN 0.589 nan 8.360 nan 0.000 0.467 365 Q N 0.312 120.120 119.800 0.013 0.000 2.016 365 Q HA -0.012 4.332 4.340 0.007 0.000 0.200 365 Q C 2.203 178.192 176.000 -0.019 0.000 0.978 365 Q CA 1.148 56.947 55.803 -0.006 0.000 0.833 365 Q CB -0.177 28.559 28.738 -0.005 0.000 0.895 365 Q HN 0.132 nan 8.270 nan 0.000 0.427 366 R N -0.238 120.281 120.500 0.032 0.000 2.148 366 R HA -0.062 4.282 4.340 0.007 0.000 0.223 366 R C 2.055 178.438 176.300 0.139 0.000 1.088 366 R CA 0.634 56.781 56.100 0.079 0.000 0.985 366 R CB -0.314 30.137 30.300 0.252 0.000 0.880 366 R HN 0.193 nan 8.270 nan 0.000 0.451 367 L N 0.727 122.018 121.223 0.114 0.000 2.017 367 L HA -0.101 4.242 4.340 0.007 0.000 0.208 367 L C 2.205 179.113 176.870 0.064 0.000 1.073 367 L CA 2.046 56.956 54.840 0.116 0.000 0.745 367 L CB -0.707 41.396 42.059 0.074 0.000 0.894 367 L HN 0.081 nan 8.230 nan 0.000 0.432 368 A N -0.512 122.313 122.820 0.008 0.000 1.972 368 A HA -0.242 4.082 4.320 0.007 0.000 0.219 368 A C 2.541 180.081 177.584 -0.074 0.000 1.169 368 A CA 1.759 53.783 52.037 -0.022 0.000 0.635 368 A CB -0.664 18.319 19.000 -0.029 0.000 0.810 368 A HN 0.542 nan 8.150 nan 0.000 0.446 369 R N -1.915 118.481 120.500 -0.172 0.000 2.115 369 R HA -0.035 4.309 4.340 0.007 0.000 0.226 369 R C 0.881 176.921 176.300 -0.433 0.000 1.100 369 R CA 1.479 57.355 56.100 -0.374 0.000 0.980 369 R CB -0.185 29.747 30.300 -0.613 0.000 0.875 369 R HN 0.463 nan 8.270 nan 0.000 0.445 370 F N 0.201 120.160 119.950 0.014 0.000 2.721 370 F HA 0.416 4.947 4.527 0.007 0.000 0.301 370 F C 0.902 176.710 175.800 0.014 0.000 1.096 370 F CA -0.281 57.728 58.000 0.015 0.000 1.308 370 F CB 0.097 39.108 39.000 0.018 0.000 1.086 370 F HN -0.019 nan 8.300 nan 0.000 0.587 371 A N 1.120 124.027 122.820 0.145 0.000 2.386 371 A HA 0.457 4.781 4.320 0.007 0.000 0.248 371 A C 0.773 178.398 177.584 0.069 0.000 1.082 371 A CA -0.337 51.757 52.037 0.095 0.000 0.789 371 A CB 0.391 19.428 19.000 0.061 0.000 1.025 371 A HN 0.265 nan 8.150 nan 0.000 0.490 372 R N 0.000 120.534 120.500 0.057 0.000 2.786 372 R HA 0.000 4.344 4.340 0.007 0.000 0.208 372 R CA 0.000 56.125 56.100 0.042 0.000 0.921 372 R CB 0.000 30.323 30.300 0.039 0.000 0.687 372 R HN 0.000 nan 8.270 nan 0.000 0.535