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 3muc_1_B DATA FIRST_RESID 4 DATA SEQUENCE ALIERIDAII VDLPTIRXXX XXXXXXQQQT LVVLRVRCSD GVEGIGEATT DATA SEQUENCE VGGLAYGYES 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 -0.004 0.000 1.274 4 A CA 0.000 52.034 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 2.172 123.392 121.223 -0.004 0.000 2.303 5 L HA 0.640 4.984 4.340 0.006 0.000 0.266 5 L C -0.219 176.649 176.870 -0.003 0.000 1.011 5 L CA -0.989 53.849 54.840 -0.003 0.000 0.818 5 L CB 1.914 43.972 42.059 -0.002 0.000 1.326 5 L HN 0.655 nan 8.230 nan 0.000 0.435 6 I N 1.093 121.661 120.570 -0.003 0.000 2.396 6 I HA 0.063 4.237 4.170 0.006 0.000 0.289 6 I C 0.801 176.917 176.117 -0.002 0.000 1.056 6 I CA 0.284 61.583 61.300 -0.002 0.000 1.365 6 I CB 1.004 39.003 38.000 -0.001 0.000 1.407 6 I HN 0.750 nan 8.210 nan 0.000 0.509 7 E N 5.101 125.299 120.200 -0.002 0.000 2.206 7 E HA 0.173 4.527 4.350 0.006 0.000 0.195 7 E C 0.608 177.207 176.600 -0.002 0.000 0.935 7 E CA 0.194 56.593 56.400 -0.002 0.000 0.875 7 E CB 0.736 30.434 29.700 -0.002 0.000 0.841 7 E HN 0.470 nan 8.360 nan 0.000 0.477 8 R N 0.472 120.971 120.500 -0.002 0.000 2.668 8 R HA 0.494 4.838 4.340 0.006 0.000 0.272 8 R C -1.853 174.447 176.300 -0.000 0.000 1.019 8 R CA -0.428 55.671 56.100 -0.001 0.000 0.894 8 R CB 1.431 31.730 30.300 -0.001 0.000 1.228 8 R HN -0.076 nan 8.270 nan 0.000 0.460 9 I N 3.002 123.572 120.570 0.001 0.000 2.512 9 I HA 0.308 4.482 4.170 0.006 0.000 0.287 9 I C -1.191 174.928 176.117 0.004 0.000 1.069 9 I CA -0.827 60.475 61.300 0.003 0.000 1.056 9 I CB 2.243 40.246 38.000 0.005 0.000 1.229 9 I HN 0.439 nan 8.210 nan 0.000 0.429 10 D N 5.896 126.300 120.400 0.006 0.000 2.375 10 D HA 0.570 5.214 4.640 0.006 0.000 0.247 10 D C -0.543 175.765 176.300 0.012 0.000 1.061 10 D CA -0.296 53.709 54.000 0.008 0.000 0.834 10 D CB 2.604 43.409 40.800 0.008 0.000 1.247 10 D HN 0.529 nan 8.370 nan 0.000 0.489 11 A N 3.043 125.872 122.820 0.014 0.000 2.273 11 A HA 0.618 4.942 4.320 0.006 0.000 0.315 11 A C -0.288 177.309 177.584 0.021 0.000 1.256 11 A CA -0.597 51.452 52.037 0.020 0.000 0.851 11 A CB 0.184 19.197 19.000 0.022 0.000 1.172 11 A HN 0.536 nan 8.150 nan 0.000 0.508 12 I N 3.378 123.963 120.570 0.025 0.000 2.406 12 I HA 0.347 4.520 4.170 0.006 0.000 0.290 12 I C -0.439 175.698 176.117 0.034 0.000 0.999 12 I CA -0.411 60.906 61.300 0.028 0.000 1.124 12 I CB 1.825 39.843 38.000 0.031 0.000 1.289 12 I HN 0.502 nan 8.210 nan 0.000 0.441 13 I N 6.615 127.205 120.570 0.034 0.000 2.371 13 I HA 0.319 4.493 4.170 0.006 0.000 0.290 13 I C -0.484 175.662 176.117 0.049 0.000 1.028 13 I CA -0.514 60.809 61.300 0.037 0.000 1.345 13 I CB 1.194 39.213 38.000 0.031 0.000 1.407 13 I HN 0.219 nan 8.210 nan 0.000 0.501 14 V N 5.459 125.404 119.914 0.053 0.000 2.588 14 V HA 0.329 4.453 4.120 0.006 0.000 0.304 14 V C -0.671 175.456 176.094 0.055 0.000 1.042 14 V CA -0.821 61.525 62.300 0.076 0.000 0.877 14 V CB 2.151 34.023 31.823 0.081 0.000 0.996 14 V HN 0.600 nan 8.190 nan 0.000 0.425 15 D N 5.265 125.712 120.400 0.077 0.000 2.349 15 D HA 0.552 5.196 4.640 0.006 0.000 0.232 15 D C -0.646 175.629 176.300 -0.042 0.000 1.071 15 D CA -0.102 53.917 54.000 0.033 0.000 0.832 15 D CB 2.433 43.268 40.800 0.057 0.000 1.086 15 D HN 0.298 nan 8.370 nan 0.000 0.504 16 L N 3.525 124.664 121.223 -0.140 0.000 2.334 16 L HA 0.458 4.802 4.340 0.006 0.000 0.273 16 L C -2.256 174.475 176.870 -0.232 0.000 1.013 16 L CA -1.946 52.689 54.840 -0.342 0.000 0.816 16 L CB 2.304 44.183 42.059 -0.301 0.000 1.278 16 L HN 0.074 nan 8.230 nan 0.000 0.431 17 P HA 0.194 nan 4.420 nan 0.000 0.284 17 P C -0.889 176.359 177.300 -0.087 0.000 1.253 17 P CA -0.298 62.726 63.100 -0.126 0.000 0.800 17 P CB 1.452 33.095 31.700 -0.094 0.000 0.961 18 T N -1.087 113.444 114.554 -0.038 0.000 2.948 18 T HA 0.429 4.782 4.350 0.006 0.000 0.285 18 T C 1.541 176.252 174.700 0.018 0.000 1.019 18 T CA -0.874 61.221 62.100 -0.009 0.000 1.013 18 T CB 0.635 69.501 68.868 -0.003 0.000 1.117 18 T HN 0.421 nan 8.240 nan 0.000 0.533 19 I N -2.547 118.050 120.570 0.046 0.000 2.928 19 I HA 0.250 4.424 4.170 0.006 0.000 0.266 19 I C 1.355 177.507 176.117 0.059 0.000 1.234 19 I CA -0.103 61.236 61.300 0.065 0.000 1.483 19 I CB -0.216 37.848 38.000 0.107 0.000 1.097 19 I HN 0.367 nan 8.210 nan 0.000 0.455 31 Q N 0.699 120.496 119.800 -0.004 0.000 2.496 31 Q HA 0.580 4.924 4.340 0.006 0.000 0.286 31 Q C -1.595 174.392 176.000 -0.022 0.000 1.103 31 Q CA -0.851 54.941 55.803 -0.018 0.000 0.813 31 Q CB 2.509 31.241 28.738 -0.009 0.000 1.444 31 Q HN 0.436 nan 8.270 nan 0.000 0.443 32 Q N 0.293 120.072 119.800 -0.036 0.000 2.304 32 Q HA 0.391 4.735 4.340 0.006 0.000 0.270 32 Q C -1.694 174.289 176.000 -0.027 0.000 1.035 32 Q CA -0.266 55.517 55.803 -0.033 0.000 0.781 32 Q CB 2.205 30.918 28.738 -0.043 0.000 1.261 32 Q HN 0.552 nan 8.270 nan 0.000 0.444 33 T N 4.523 119.070 114.554 -0.011 0.000 2.767 33 T HA 0.617 4.970 4.350 0.006 0.000 0.284 33 T C -0.802 173.903 174.700 0.008 0.000 0.973 33 T CA -0.421 61.680 62.100 0.001 0.000 0.996 33 T CB 0.387 69.260 68.868 0.008 0.000 0.927 33 T HN 0.408 nan 8.240 nan 0.000 0.456 34 L N 3.101 124.332 121.223 0.013 0.000 2.330 34 L HA 0.653 4.996 4.340 0.006 0.000 0.271 34 L C -0.291 176.599 176.870 0.032 0.000 1.013 34 L CA -0.848 54.005 54.840 0.023 0.000 0.816 34 L CB 1.920 43.989 42.059 0.016 0.000 1.287 34 L HN 0.372 nan 8.230 nan 0.000 0.435 35 V N 2.688 122.627 119.914 0.040 0.000 2.304 35 V HA 0.384 4.507 4.120 0.006 0.000 0.278 35 V C -0.318 175.799 176.094 0.038 0.000 1.018 35 V CA -0.727 61.598 62.300 0.041 0.000 0.814 35 V CB 1.631 33.483 31.823 0.048 0.000 1.021 35 V HN 0.435 nan 8.190 nan 0.000 0.440 36 V N 6.905 126.840 119.914 0.034 0.000 2.461 36 V HA 0.384 4.508 4.120 0.006 0.000 0.275 36 V C -0.059 176.050 176.094 0.025 0.000 1.047 36 V CA -0.311 62.006 62.300 0.028 0.000 0.955 36 V CB 1.397 33.239 31.823 0.031 0.000 0.988 36 V HN 0.581 nan 8.190 nan 0.000 0.471 37 L N 6.537 127.772 121.223 0.019 0.000 2.317 37 L HA 0.617 4.960 4.340 0.006 0.000 0.281 37 L C 0.236 177.111 176.870 0.009 0.000 1.024 37 L CA -0.106 54.743 54.840 0.015 0.000 0.810 37 L CB 1.482 43.549 42.059 0.015 0.000 1.240 37 L HN 0.517 nan 8.230 nan 0.000 0.427 38 R N 2.577 123.082 120.500 0.008 0.000 2.451 38 R HA 0.637 4.980 4.340 0.006 0.000 0.307 38 R C -1.495 174.807 176.300 0.002 0.000 0.965 38 R CA -0.702 55.401 56.100 0.005 0.000 0.865 38 R CB 2.010 32.314 30.300 0.007 0.000 1.174 38 R HN 0.282 nan 8.270 nan 0.000 0.455 39 V N 4.279 124.192 119.914 -0.002 0.000 2.357 39 V HA 0.394 4.518 4.120 0.006 0.000 0.284 39 V C 0.192 176.283 176.094 -0.004 0.000 1.018 39 V CA -0.769 61.530 62.300 -0.003 0.000 0.841 39 V CB 1.423 33.243 31.823 -0.005 0.000 0.991 39 V HN 0.615 nan 8.190 nan 0.000 0.437 40 R N 3.159 123.657 120.500 -0.003 0.000 2.265 40 R HA 0.611 4.955 4.340 0.006 0.000 0.319 40 R C -0.887 175.410 176.300 -0.004 0.000 1.006 40 R CA -0.401 55.697 56.100 -0.003 0.000 0.880 40 R CB 1.340 31.639 30.300 -0.002 0.000 1.077 40 R HN 0.670 nan 8.270 nan 0.000 0.454 41 C N 0.938 120.235 119.300 -0.005 0.000 2.399 41 C HA 0.174 4.638 4.460 0.006 0.000 0.348 41 C C 2.076 177.064 174.990 -0.004 0.000 1.183 41 C CA -0.643 58.372 59.018 -0.005 0.000 2.023 41 C CB 1.731 29.467 27.740 -0.007 0.000 2.361 41 C HN 0.991 nan 8.230 nan 0.000 0.521 42 S N 0.649 116.347 115.700 -0.004 0.000 2.469 42 S HA -0.176 4.298 4.470 0.006 0.000 0.238 42 S C 0.857 175.454 174.600 -0.004 0.000 0.998 42 S CA 1.723 59.921 58.200 -0.003 0.000 0.957 42 S CB -0.462 62.736 63.200 -0.003 0.000 0.764 42 S HN 0.911 nan 8.310 nan 0.000 0.514 43 D N 0.171 120.568 120.400 -0.004 0.000 2.325 43 D HA 0.263 4.907 4.640 0.006 0.000 0.225 43 D C 1.368 177.666 176.300 -0.004 0.000 1.096 43 D CA 0.453 54.450 54.000 -0.004 0.000 0.844 43 D CB -0.564 40.233 40.800 -0.005 0.000 0.925 43 D HN 0.526 nan 8.370 nan 0.000 0.513 44 G N -0.323 108.474 108.800 -0.004 0.000 2.205 44 G HA2 -0.283 3.681 3.960 0.006 0.000 0.261 44 G HA3 -0.283 3.681 3.960 0.006 0.000 0.261 44 G C 0.241 175.138 174.900 -0.005 0.000 0.980 44 G CA 0.273 45.370 45.100 -0.004 0.000 0.632 44 G HN 0.390 nan 8.290 nan 0.000 0.533 45 V N 1.033 120.943 119.914 -0.006 0.000 2.583 45 V HA 0.557 4.680 4.120 0.006 0.000 0.287 45 V C 0.503 176.592 176.094 -0.009 0.000 1.051 45 V CA 0.021 62.316 62.300 -0.008 0.000 1.010 45 V CB 1.764 33.581 31.823 -0.010 0.000 0.988 45 V HN 0.432 nan 8.190 nan 0.000 0.478 46 E N 2.366 122.560 120.200 -0.009 0.000 2.222 46 E HA 0.651 5.004 4.350 0.006 0.000 0.267 46 E C -0.345 176.247 176.600 -0.013 0.000 0.884 46 E CA -0.600 55.794 56.400 -0.009 0.000 0.764 46 E CB 2.036 31.733 29.700 -0.005 0.000 1.169 46 E HN 0.827 nan 8.360 nan 0.000 0.413 47 G N 3.838 112.629 108.800 -0.015 0.000 2.452 47 G HA2 0.576 4.540 3.960 0.006 0.000 0.324 47 G HA3 0.576 4.540 3.960 0.006 0.000 0.324 47 G C -0.509 174.380 174.900 -0.017 0.000 1.214 47 G CA -0.763 44.324 45.100 -0.021 0.000 0.947 47 G HN 0.581 nan 8.290 nan 0.000 0.478 48 I N 0.079 120.636 120.570 -0.021 0.000 2.530 48 I HA 0.952 5.126 4.170 0.006 0.000 0.297 48 I C 0.218 176.324 176.117 -0.019 0.000 1.011 48 I CA -1.042 60.250 61.300 -0.013 0.000 1.107 48 I CB 2.430 40.426 38.000 -0.007 0.000 1.285 48 I HN 0.625 nan 8.210 nan 0.000 0.436 49 G N 3.411 112.205 108.800 -0.010 0.000 2.733 49 G HA2 0.615 4.579 3.960 0.006 0.000 0.288 49 G HA3 0.615 4.579 3.960 0.006 0.000 0.288 49 G C -2.020 172.879 174.900 -0.000 0.000 1.373 49 G CA -0.567 44.525 45.100 -0.013 0.000 0.895 49 G HN 0.818 nan 8.290 nan 0.000 0.479 50 E N -1.006 119.193 120.200 -0.001 0.000 2.308 50 E HA 0.586 4.939 4.350 0.006 0.000 0.275 50 E C -1.272 175.345 176.600 0.027 0.000 0.890 50 E CA -1.018 55.390 56.400 0.013 0.000 0.754 50 E CB 2.134 31.838 29.700 0.006 0.000 1.207 50 E HN 0.754 nan 8.360 nan 0.000 0.426 51 A N 3.166 126.023 122.820 0.061 0.000 2.466 51 A HA 0.577 4.901 4.320 0.006 0.000 0.291 51 A C -0.901 176.774 177.584 0.151 0.000 1.234 51 A CA -0.403 51.707 52.037 0.122 0.000 0.752 51 A CB 1.389 20.471 19.000 0.136 0.000 1.153 51 A HN 0.427 nan 8.150 nan 0.000 0.458 52 T N 1.035 115.700 114.554 0.184 0.000 2.900 52 T HA 0.770 5.123 4.350 0.006 0.000 0.295 52 T C -0.162 174.696 174.700 0.264 0.000 1.044 52 T CA -0.357 61.837 62.100 0.155 0.000 0.995 52 T CB 1.925 70.832 68.868 0.065 0.000 1.072 52 T HN 0.702 nan 8.240 nan 0.000 0.473 53 T N 0.508 115.152 114.554 0.151 0.000 2.804 53 T HA 0.715 5.068 4.350 0.006 0.000 0.290 53 T C -1.497 173.222 174.700 0.032 0.000 1.099 53 T CA -0.466 61.719 62.100 0.143 0.000 1.011 53 T CB 1.324 70.151 68.868 -0.068 0.000 1.291 53 T HN 0.340 nan 8.240 nan 0.000 0.523 54 V N 1.481 121.395 119.914 0.001 0.000 2.448 54 V HA 0.661 4.784 4.120 0.006 0.000 0.295 54 V C 1.104 177.242 176.094 0.073 0.000 1.025 54 V CA 0.109 62.365 62.300 -0.072 0.000 0.859 54 V CB 0.789 32.395 31.823 -0.361 0.000 0.988 54 V HN 1.371 nan 8.190 nan 0.000 0.431 55 G N 3.583 112.425 108.800 0.070 0.000 2.295 55 G HA2 0.077 4.040 3.960 0.006 0.000 0.287 55 G HA3 0.077 4.040 3.960 0.006 0.000 0.287 55 G C 1.115 176.063 174.900 0.081 0.000 1.055 55 G CA 0.797 45.970 45.100 0.121 0.000 0.922 55 G HN 2.125 nan 8.290 nan 0.000 0.503 56 G N -0.655 108.164 108.800 0.031 0.000 2.846 56 G HA2 -0.329 3.635 3.960 0.006 0.000 0.317 56 G HA3 -0.329 3.635 3.960 0.006 0.000 0.317 56 G C 0.983 175.867 174.900 -0.026 0.000 1.210 56 G CA 0.911 46.010 45.100 -0.001 0.000 0.972 56 G HN 1.385 nan 8.290 nan 0.000 0.567 57 L N 1.716 122.924 121.223 -0.024 0.000 2.808 57 L HA 0.539 4.882 4.340 0.006 0.000 0.246 57 L C 2.711 179.540 176.870 -0.068 0.000 1.153 57 L CA 0.785 55.592 54.840 -0.055 0.000 0.956 57 L CB 0.439 42.471 42.059 -0.044 0.000 1.270 57 L HN 0.614 nan 8.230 nan 0.000 0.528 58 A N -0.529 122.273 122.820 -0.030 0.000 2.014 58 A HA -0.086 4.237 4.320 0.006 0.000 0.218 58 A C 1.300 178.707 177.584 -0.294 0.000 1.163 58 A CA 1.319 53.277 52.037 -0.132 0.000 0.652 58 A CB -0.275 18.669 19.000 -0.093 0.000 0.808 58 A HN 0.459 nan 8.150 nan 0.000 0.449 59 Y N -1.149 119.105 120.300 -0.076 0.000 2.682 59 Y HA 0.470 5.023 4.550 0.006 0.000 0.251 59 Y C 0.962 176.804 175.900 -0.097 0.000 1.172 59 Y CA 0.083 58.141 58.100 -0.070 0.000 1.186 59 Y CB 0.755 39.200 38.460 -0.026 0.000 1.216 59 Y HN 0.365 nan 8.280 nan 0.000 0.540 60 G N -2.257 106.487 108.800 -0.094 0.000 2.338 60 G HA2 0.109 4.073 3.960 0.006 0.000 0.295 60 G HA3 0.109 4.073 3.960 0.006 0.000 0.295 60 G C -0.863 173.869 174.900 -0.281 0.000 1.461 60 G CA -0.812 44.159 45.100 -0.214 0.000 0.817 60 G HN -0.070 nan 8.290 nan 0.000 0.556 61 Y N 0.157 120.395 120.300 -0.104 0.000 2.352 61 Y HA 0.139 4.692 4.550 0.005 0.000 0.292 61 Y C 1.551 177.361 175.900 -0.151 0.000 1.136 61 Y CA 1.109 59.153 58.100 -0.093 0.000 1.227 61 Y CB 0.227 38.664 38.460 -0.039 0.000 0.991 61 Y HN 0.401 nan 8.280 nan 0.000 0.545 62 E N 0.299 120.406 120.200 -0.156 0.000 2.175 62 E HA 0.359 4.712 4.350 0.006 0.000 0.278 62 E C -0.264 176.174 176.600 -0.270 0.000 0.969 62 E CA -0.515 55.748 56.400 -0.229 0.000 0.796 62 E CB 1.270 30.786 29.700 -0.307 0.000 1.104 62 E HN 0.079 nan 8.360 nan 0.000 0.395 63 S N 1.931 117.552 115.700 -0.132 0.000 2.681 63 S HA 0.398 4.872 4.470 0.006 0.000 0.299 63 S C -2.129 172.435 174.600 -0.060 0.000 1.113 63 S CA -1.531 56.614 58.200 -0.092 0.000 1.013 63 S CB 1.857 65.029 63.200 -0.046 0.000 1.076 63 S HN 0.128 nan 8.310 nan 0.000 0.534 64 P HA -0.072 nan 4.420 nan 0.000 0.215 64 P C 0.913 178.215 177.300 0.003 0.000 1.153 64 P CA 1.293 64.390 63.100 -0.006 0.000 0.853 64 P CB 0.035 31.737 31.700 0.003 0.000 0.788 65 E N -0.824 119.377 120.200 0.001 0.000 2.047 65 E HA -0.085 4.269 4.350 0.006 0.000 0.191 65 E C 2.295 178.901 176.600 0.010 0.000 0.987 65 E CA 1.557 57.961 56.400 0.007 0.000 0.799 65 E CB -1.391 28.313 29.700 0.006 0.000 0.752 65 E HN 0.197 nan 8.360 nan 0.000 0.449 66 G N 0.586 109.388 108.800 0.004 0.000 2.408 66 G HA2 -0.224 3.740 3.960 0.006 0.000 0.217 66 G HA3 -0.224 3.740 3.960 0.006 0.000 0.217 66 G C 1.640 176.554 174.900 0.022 0.000 1.150 66 G CA 0.681 45.788 45.100 0.012 0.000 0.776 66 G HN 0.154 nan 8.290 nan 0.000 0.542 67 I N 0.449 121.028 120.570 0.015 0.000 2.127 67 I HA -0.181 3.993 4.170 0.006 0.000 0.241 67 I C 2.712 178.854 176.117 0.041 0.000 1.075 67 I CA 1.697 63.018 61.300 0.035 0.000 1.334 67 I CB -0.147 37.877 38.000 0.040 0.000 1.040 67 I HN 0.162 nan 8.210 nan 0.000 0.405 68 K N 1.188 121.606 120.400 0.031 0.000 2.026 68 K HA -0.185 4.138 4.320 0.006 0.000 0.208 68 K C 2.209 178.825 176.600 0.026 0.000 1.048 68 K CA 1.493 57.796 56.287 0.028 0.000 0.929 68 K CB -0.158 32.355 32.500 0.022 0.000 0.713 68 K HN 0.282 nan 8.250 nan 0.000 0.439 69 A N 1.696 124.532 122.820 0.027 0.000 1.908 69 A HA -0.201 4.123 4.320 0.006 0.000 0.218 69 A C 1.845 179.456 177.584 0.045 0.000 1.181 69 A CA 1.864 53.917 52.037 0.026 0.000 0.627 69 A CB -0.660 18.359 19.000 0.032 0.000 0.818 69 A HN 0.415 nan 8.150 nan 0.000 0.445 70 N N -0.201 118.549 118.700 0.083 0.000 2.270 70 N HA -0.022 4.722 4.740 0.006 0.000 0.181 70 N C 1.692 177.269 175.510 0.112 0.000 1.016 70 N CA 1.214 54.358 53.050 0.157 0.000 0.870 70 N CB -0.307 38.261 38.487 0.136 0.000 0.979 70 N HN 0.566 nan 8.380 nan 0.000 0.431 71 I N 1.273 121.881 120.570 0.063 0.000 2.202 71 I HA -0.227 3.947 4.170 0.006 0.000 0.242 71 I C 1.508 177.634 176.117 0.016 0.000 1.091 71 I CA 1.121 62.448 61.300 0.045 0.000 1.368 71 I CB -0.149 37.874 38.000 0.037 0.000 1.058 71 I HN -0.040 nan 8.210 nan 0.000 0.410 72 D N 1.031 121.430 120.400 -0.002 0.000 2.117 72 D HA -0.127 4.516 4.640 0.006 0.000 0.197 72 D C 2.130 178.382 176.300 -0.080 0.000 0.987 72 D CA 1.629 55.612 54.000 -0.030 0.000 0.829 72 D CB -0.098 40.686 40.800 -0.026 0.000 0.961 72 D HN 0.350 nan 8.370 nan 0.000 0.460 73 A N -0.401 122.332 122.820 -0.144 0.000 2.030 73 A HA -0.047 4.276 4.320 0.006 0.000 0.215 73 A C 1.605 178.866 177.584 -0.538 0.000 1.164 73 A CA 0.894 52.716 52.037 -0.359 0.000 0.697 73 A CB -0.074 18.634 19.000 -0.488 0.000 0.827 73 A HN 0.254 nan 8.150 nan 0.000 0.457 74 H N -1.478 117.595 119.070 0.004 0.000 2.176 74 H HA 0.256 4.816 4.556 0.006 0.000 0.228 74 H C 1.970 177.301 175.328 0.004 0.000 0.879 74 H CA 0.554 56.604 56.048 0.003 0.000 1.027 74 H CB -0.220 29.543 29.762 0.002 0.000 1.356 74 H HN 0.285 nan 8.280 nan 0.000 0.425 75 L N 0.935 122.239 121.223 0.135 0.000 2.005 75 L HA -0.049 4.295 4.340 0.006 0.000 0.207 75 L C 2.897 179.794 176.870 0.043 0.000 1.072 75 L CA 1.291 56.177 54.840 0.077 0.000 0.744 75 L CB -0.651 41.449 42.059 0.068 0.000 0.895 75 L HN 0.173 nan 8.230 nan 0.000 0.433 76 A N 0.555 123.392 122.820 0.028 0.000 1.883 76 A HA -0.130 4.194 4.320 0.006 0.000 0.217 76 A C 0.073 177.662 177.584 0.008 0.000 1.186 76 A CA 1.778 53.823 52.037 0.014 0.000 0.624 76 A CB -1.877 17.126 19.000 0.005 0.000 0.822 76 A HN 0.279 nan 8.150 nan 0.000 0.444 77 P HA -0.127 nan 4.420 nan 0.000 0.217 77 P C 1.492 178.797 177.300 0.009 0.000 1.148 77 P CA 1.781 64.881 63.100 -0.001 0.000 0.828 77 P CB -0.076 31.617 31.700 -0.012 0.000 0.783 78 A N -1.366 121.466 122.820 0.020 0.000 2.119 78 A HA -0.052 4.271 4.320 0.006 0.000 0.217 78 A C 1.964 179.556 177.584 0.014 0.000 1.153 78 A CA 1.081 53.130 52.037 0.021 0.000 0.692 78 A CB -1.162 17.856 19.000 0.030 0.000 0.799 78 A HN 0.167 nan 8.150 nan 0.000 0.458 79 L N -0.218 121.012 121.223 0.012 0.000 2.470 79 L HA 0.176 4.520 4.340 0.006 0.000 0.219 79 L C -0.057 176.815 176.870 0.004 0.000 1.071 79 L CA -0.355 54.489 54.840 0.008 0.000 0.850 79 L CB -0.140 41.924 42.059 0.008 0.000 1.040 79 L HN 0.156 nan 8.230 nan 0.000 0.475 80 I N 1.810 122.382 120.570 0.003 0.000 2.742 80 I HA 0.049 4.223 4.170 0.006 0.000 0.287 80 I C 1.389 177.507 176.117 0.001 0.000 1.186 80 I CA 1.250 62.551 61.300 0.001 0.000 1.417 80 I CB -0.437 37.563 38.000 -0.001 0.000 1.377 80 I HN 0.414 nan 8.210 nan 0.000 0.556 81 G N 5.686 114.486 108.800 0.000 0.000 2.278 81 G HA2 -0.181 3.782 3.960 0.006 0.000 0.210 81 G HA3 -0.181 3.782 3.960 0.006 0.000 0.210 81 G C 0.241 175.140 174.900 -0.000 0.000 1.000 81 G CA -0.519 44.581 45.100 -0.000 0.000 0.635 81 G HN 0.441 nan 8.290 nan 0.000 0.495 82 L N 1.561 122.784 121.223 0.000 0.000 2.439 82 L HA 0.662 5.006 4.340 0.006 0.000 0.261 82 L C 1.342 178.211 176.870 -0.001 0.000 1.153 82 L CA -0.359 54.481 54.840 -0.000 0.000 0.808 82 L CB 0.994 43.053 42.059 0.001 0.000 1.126 82 L HN 0.345 nan 8.230 nan 0.000 0.460 83 A N 1.374 124.193 122.820 -0.002 0.000 2.522 83 A HA 0.335 4.659 4.320 0.006 0.000 0.256 83 A C 1.057 178.639 177.584 -0.004 0.000 1.086 83 A CA 0.365 52.400 52.037 -0.003 0.000 0.763 83 A CB 0.400 19.399 19.000 -0.003 0.000 1.024 83 A HN 0.940 nan 8.150 nan 0.000 0.502 84 A N 2.289 125.107 122.820 -0.005 0.000 2.066 84 A HA -0.074 4.249 4.320 0.006 0.000 0.218 84 A C 1.479 179.058 177.584 -0.008 0.000 1.157 84 A CA 1.425 53.458 52.037 -0.007 0.000 0.670 84 A CB -0.277 18.718 19.000 -0.007 0.000 0.804 84 A HN 0.883 nan 8.150 nan 0.000 0.453 85 D N -1.255 119.140 120.400 -0.007 0.000 2.340 85 D HA -0.050 4.593 4.640 0.006 0.000 0.220 85 D C 0.109 176.404 176.300 -0.007 0.000 1.039 85 D CA 0.052 54.047 54.000 -0.008 0.000 0.866 85 D CB -0.230 40.566 40.800 -0.007 0.000 0.913 85 D HN 0.250 nan 8.370 nan 0.000 0.523 86 N N 1.209 119.905 118.700 -0.006 0.000 2.936 86 N HA 0.176 4.920 4.740 0.006 0.000 0.243 86 N C 0.944 176.451 175.510 -0.005 0.000 1.149 86 N CA -0.366 52.681 53.050 -0.005 0.000 0.914 86 N CB 0.473 38.958 38.487 -0.003 0.000 1.179 86 N HN 0.080 nan 8.380 nan 0.000 0.502 87 I N 0.914 121.480 120.570 -0.007 0.000 2.286 87 I HA -0.241 3.933 4.170 0.006 0.000 0.248 87 I C 2.070 178.184 176.117 -0.005 0.000 1.115 87 I CA 0.637 61.932 61.300 -0.008 0.000 1.392 87 I CB -0.084 37.909 38.000 -0.011 0.000 1.065 87 I HN 0.383 nan 8.210 nan 0.000 0.418 88 N N 1.464 120.161 118.700 -0.004 0.000 2.069 88 N HA -0.178 4.566 4.740 0.006 0.000 0.191 88 N C 1.854 177.363 175.510 -0.002 0.000 1.031 88 N CA 1.988 55.036 53.050 -0.002 0.000 0.852 88 N CB -0.184 38.302 38.487 -0.002 0.000 1.018 88 N HN 0.323 nan 8.380 nan 0.000 0.423 89 A N 0.168 122.987 122.820 -0.002 0.000 1.933 89 A HA 0.041 4.365 4.320 0.006 0.000 0.218 89 A C 2.340 179.924 177.584 -0.000 0.000 1.175 89 A CA 2.030 54.066 52.037 -0.001 0.000 0.628 89 A CB -1.181 17.818 19.000 -0.001 0.000 0.814 89 A HN 0.454 nan 8.150 nan 0.000 0.444 90 A N -0.958 121.862 122.820 -0.000 0.000 1.898 90 A HA -0.079 4.244 4.320 0.006 0.000 0.216 90 A C 2.123 179.709 177.584 0.003 0.000 1.181 90 A CA 1.957 53.995 52.037 0.001 0.000 0.620 90 A CB -0.428 18.572 19.000 -0.000 0.000 0.819 90 A HN 0.416 nan 8.150 nan 0.000 0.442 91 M N -0.493 119.107 119.600 0.001 0.000 2.254 91 M HA 0.092 4.575 4.480 0.006 0.000 0.265 91 M C 2.039 178.340 176.300 0.002 0.000 1.066 91 M CA 0.927 56.228 55.300 0.002 0.000 1.123 91 M CB -1.352 31.248 32.600 -0.000 0.000 1.388 91 M HN 0.356 nan 8.290 nan 0.000 0.425 92 L N -0.316 120.907 121.223 0.001 0.000 2.093 92 L HA -0.190 4.153 4.340 0.006 0.000 0.208 92 L C 2.589 179.459 176.870 0.000 0.000 1.085 92 L CA 1.039 55.879 54.840 -0.000 0.000 0.755 92 L CB -0.510 41.548 42.059 -0.002 0.000 0.904 92 L HN 0.319 nan 8.230 nan 0.000 0.435 93 K N 0.655 121.056 120.400 0.002 0.000 2.026 93 K HA -0.181 4.142 4.320 0.006 0.000 0.208 93 K C 2.124 178.727 176.600 0.005 0.000 1.048 93 K CA 1.277 57.566 56.287 0.003 0.000 0.929 93 K CB -0.055 32.448 32.500 0.005 0.000 0.713 93 K HN 0.232 nan 8.250 nan 0.000 0.439 94 L N 0.887 122.115 121.223 0.008 0.000 2.131 94 L HA -0.204 4.139 4.340 0.006 0.000 0.210 94 L C 1.811 178.684 176.870 0.004 0.000 1.092 94 L CA 1.074 55.920 54.840 0.010 0.000 0.759 94 L CB -0.422 41.645 42.059 0.014 0.000 0.903 94 L HN 0.230 nan 8.230 nan 0.000 0.435 95 D N -0.147 120.254 120.400 0.001 0.000 2.269 95 D HA -0.147 4.497 4.640 0.006 0.000 0.208 95 D C 2.122 178.418 176.300 -0.008 0.000 0.963 95 D CA 0.939 54.937 54.000 -0.003 0.000 0.864 95 D CB 0.136 40.934 40.800 -0.003 0.000 0.936 95 D HN 0.210 nan 8.370 nan 0.000 0.505 96 K N -0.156 120.241 120.400 -0.006 0.000 2.186 96 K HA -0.013 4.310 4.320 0.006 0.000 0.202 96 K C 1.378 177.971 176.600 -0.010 0.000 1.052 96 K CA 0.503 56.785 56.287 -0.008 0.000 0.965 96 K CB 0.262 32.760 32.500 -0.005 0.000 0.746 96 K HN 0.042 nan 8.250 nan 0.000 0.457 97 L N -0.679 120.539 121.223 -0.008 0.000 2.556 97 L HA 0.311 4.654 4.340 0.006 0.000 0.226 97 L C 0.290 177.142 176.870 -0.031 0.000 1.089 97 L CA -0.116 54.717 54.840 -0.012 0.000 0.864 97 L CB 0.742 42.804 42.059 0.005 0.000 1.067 97 L HN -0.078 nan 8.230 nan 0.000 0.477 98 A N -0.133 122.671 122.820 -0.026 0.000 2.353 98 A HA 0.675 4.999 4.320 0.006 0.000 0.299 98 A C -0.561 177.001 177.584 -0.037 0.000 1.089 98 A CA -0.658 51.355 52.037 -0.041 0.000 0.736 98 A CB 1.088 20.073 19.000 -0.024 0.000 1.195 98 A HN -0.143 nan 8.150 nan 0.000 0.447 99 K N 1.490 121.858 120.400 -0.055 0.000 2.249 99 K HA 0.546 4.869 4.320 0.006 0.000 0.280 99 K C 1.196 177.760 176.600 -0.059 0.000 1.033 99 K CA 1.083 57.336 56.287 -0.056 0.000 0.946 99 K CB 1.109 33.566 32.500 -0.072 0.000 1.005 99 K HN 1.579 nan 8.250 nan 0.000 0.469 100 G N 3.373 112.146 108.800 -0.045 0.000 2.583 100 G HA2 -0.400 3.564 3.960 0.006 0.000 0.292 100 G HA3 -0.400 3.564 3.960 0.006 0.000 0.292 100 G C -0.089 174.819 174.900 0.014 0.000 1.203 100 G CA 0.340 45.422 45.100 -0.030 0.000 0.987 100 G HN 0.836 nan 8.290 nan 0.000 0.554 101 N N 0.009 118.733 118.700 0.040 0.000 2.740 101 N HA -0.255 4.489 4.740 0.006 0.000 0.248 101 N C 1.552 177.142 175.510 0.133 0.000 1.062 101 N CA 1.901 55.004 53.050 0.088 0.000 0.704 101 N CB -1.328 37.186 38.487 0.045 0.000 0.968 101 N HN 1.486 nan 8.380 nan 0.000 0.547 102 T N -3.355 111.307 114.554 0.180 0.000 2.788 102 T HA -0.114 4.240 4.350 0.006 0.000 0.268 102 T C 1.556 176.335 174.700 0.131 0.000 1.044 102 T CA 0.978 63.158 62.100 0.134 0.000 1.139 102 T CB -0.302 68.625 68.868 0.098 0.000 0.867 102 T HN 0.217 nan 8.240 nan 0.000 0.454 103 F N 2.448 122.423 119.950 0.041 0.000 2.102 103 F HA 0.228 4.759 4.527 0.005 0.000 0.298 103 F C 3.011 178.825 175.800 0.023 0.000 1.105 103 F CA 0.634 58.653 58.000 0.032 0.000 1.239 103 F CB -1.138 37.886 39.000 0.039 0.000 0.991 103 F HN 0.268 nan 8.300 nan 0.000 0.474 104 A N -0.069 122.890 122.820 0.231 0.000 1.902 104 A HA -0.208 4.115 4.320 0.006 0.000 0.217 104 A C 2.213 179.846 177.584 0.082 0.000 1.181 104 A CA 1.752 53.867 52.037 0.129 0.000 0.623 104 A CB -0.659 18.404 19.000 0.106 0.000 0.818 104 A HN 0.337 nan 8.150 nan 0.000 0.443 105 K N -0.475 119.968 120.400 0.073 0.000 2.097 105 K HA -0.096 4.227 4.320 0.006 0.000 0.206 105 K C 2.414 179.024 176.600 0.017 0.000 1.049 105 K CA 1.293 57.603 56.287 0.038 0.000 0.933 105 K CB -0.204 32.315 32.500 0.032 0.000 0.717 105 K HN 0.438 nan 8.250 nan 0.000 0.442 106 S N 0.170 115.875 115.700 0.007 0.000 2.382 106 S HA -0.109 4.365 4.470 0.006 0.000 0.228 106 S C 2.036 176.625 174.600 -0.018 0.000 1.027 106 S CA 1.496 59.679 58.200 -0.029 0.000 0.991 106 S CB -0.420 62.731 63.200 -0.083 0.000 0.823 106 S HN 0.489 nan 8.310 nan 0.000 0.469 107 G N 1.288 110.095 108.800 0.011 0.000 2.404 107 G HA2 -0.075 3.888 3.960 0.006 0.000 0.215 107 G HA3 -0.075 3.888 3.960 0.006 0.000 0.215 107 G C 1.411 176.314 174.900 0.004 0.000 1.174 107 G CA 0.815 45.922 45.100 0.012 0.000 0.780 107 G HN 0.556 nan 8.290 nan 0.000 0.537 108 I N 0.386 120.963 120.570 0.011 0.000 2.179 108 I HA -0.159 4.015 4.170 0.006 0.000 0.242 108 I C 2.675 178.789 176.117 -0.006 0.000 1.088 108 I CA 1.544 62.848 61.300 0.006 0.000 1.357 108 I CB -0.187 37.822 38.000 0.014 0.000 1.051 108 I HN 0.276 nan 8.210 nan 0.000 0.409 109 E N 0.630 120.824 120.200 -0.011 0.000 2.110 109 E HA -0.193 4.161 4.350 0.006 0.000 0.193 109 E C 2.254 178.834 176.600 -0.034 0.000 0.988 109 E CA 1.449 57.837 56.400 -0.020 0.000 0.804 109 E CB 0.127 29.814 29.700 -0.021 0.000 0.745 109 E HN 0.363 nan 8.360 nan 0.000 0.458 110 S N 0.358 116.035 115.700 -0.039 0.000 2.370 110 S HA -0.182 4.292 4.470 0.006 0.000 0.226 110 S C 1.989 176.558 174.600 -0.052 0.000 1.033 110 S CA 1.048 59.215 58.200 -0.055 0.000 1.011 110 S CB -0.212 62.956 63.200 -0.054 0.000 0.852 110 S HN 0.473 nan 8.310 nan 0.000 0.457 111 A N 1.355 124.154 122.820 -0.034 0.000 1.898 111 A HA 0.067 4.391 4.320 0.006 0.000 0.216 111 A C 2.105 179.670 177.584 -0.031 0.000 1.181 111 A CA 0.975 52.994 52.037 -0.029 0.000 0.620 111 A CB -0.659 18.332 19.000 -0.015 0.000 0.819 111 A HN 0.443 nan 8.150 nan 0.000 0.442 112 L N -0.723 120.484 121.223 -0.027 0.000 2.083 112 L HA -0.156 4.188 4.340 0.006 0.000 0.209 112 L C 2.529 179.378 176.870 -0.035 0.000 1.083 112 L CA 0.943 55.767 54.840 -0.025 0.000 0.752 112 L CB -0.528 41.520 42.059 -0.019 0.000 0.899 112 L HN 0.362 nan 8.230 nan 0.000 0.433 113 L N -0.358 120.837 121.223 -0.046 0.000 2.093 113 L HA -0.225 4.118 4.340 0.006 0.000 0.208 113 L C 2.248 179.072 176.870 -0.078 0.000 1.085 113 L CA 1.198 56.001 54.840 -0.060 0.000 0.755 113 L CB -0.416 41.600 42.059 -0.072 0.000 0.904 113 L HN 0.291 nan 8.230 nan 0.000 0.435 114 D N 0.005 120.356 120.400 -0.081 0.000 2.084 114 D HA -0.180 4.463 4.640 0.006 0.000 0.194 114 D C 2.170 178.434 176.300 -0.061 0.000 0.990 114 D CA 1.468 55.416 54.000 -0.088 0.000 0.826 114 D CB 0.114 40.869 40.800 -0.076 0.000 0.971 114 D HN 0.218 nan 8.370 nan 0.000 0.453 115 A N -0.062 122.732 122.820 -0.044 0.000 1.883 115 A HA -0.231 4.092 4.320 0.006 0.000 0.217 115 A C 2.227 179.793 177.584 -0.030 0.000 1.186 115 A CA 2.127 54.145 52.037 -0.031 0.000 0.624 115 A CB -0.998 17.988 19.000 -0.023 0.000 0.822 115 A HN 0.351 nan 8.150 nan 0.000 0.444 116 Q N -0.214 119.566 119.800 -0.033 0.000 2.167 116 Q HA -0.004 4.339 4.340 0.006 0.000 0.202 116 Q C 1.844 177.826 176.000 -0.031 0.000 0.970 116 Q CA 1.874 57.661 55.803 -0.028 0.000 0.855 116 Q CB -0.777 27.945 28.738 -0.026 0.000 0.911 116 Q HN 0.518 nan 8.270 nan 0.000 0.438 117 G N 0.078 108.852 108.800 -0.044 0.000 2.403 117 G HA2 -0.203 3.761 3.960 0.006 0.000 0.216 117 G HA3 -0.203 3.761 3.960 0.006 0.000 0.216 117 G C 1.249 176.129 174.900 -0.034 0.000 1.154 117 G CA 0.587 45.660 45.100 -0.046 0.000 0.784 117 G HN 0.325 nan 8.290 nan 0.000 0.538 118 K N -0.111 120.269 120.400 -0.034 0.000 2.097 118 K HA 0.020 4.343 4.320 0.006 0.000 0.205 118 K C 2.507 179.097 176.600 -0.017 0.000 1.050 118 K CA 0.753 57.026 56.287 -0.024 0.000 0.938 118 K CB -0.088 32.398 32.500 -0.023 0.000 0.718 118 K HN 0.182 nan 8.250 nan 0.000 0.442 119 R N 1.137 121.627 120.500 -0.017 0.000 2.075 119 R HA -0.067 4.277 4.340 0.006 0.000 0.232 119 R C 1.738 178.031 176.300 -0.011 0.000 1.126 119 R CA 1.225 57.317 56.100 -0.013 0.000 0.963 119 R CB -0.028 30.264 30.300 -0.013 0.000 0.858 119 R HN 0.133 nan 8.270 nan 0.000 0.435 120 L N -0.514 120.702 121.223 -0.012 0.000 2.592 120 L HA 0.276 4.619 4.340 0.006 0.000 0.227 120 L C 1.005 177.871 176.870 -0.007 0.000 1.127 120 L CA 0.389 55.224 54.840 -0.009 0.000 0.884 120 L CB 0.486 42.540 42.059 -0.009 0.000 1.065 120 L HN 0.596 nan 8.230 nan 0.000 0.457 121 G N 1.130 109.925 108.800 -0.008 0.000 2.160 121 G HA2 -0.269 3.695 3.960 0.006 0.000 0.251 121 G HA3 -0.269 3.695 3.960 0.006 0.000 0.251 121 G C -0.046 174.852 174.900 -0.003 0.000 1.008 121 G CA 0.127 45.224 45.100 -0.005 0.000 0.724 121 G HN 0.256 nan 8.290 nan 0.000 0.514 122 L N -0.567 120.652 121.223 -0.006 0.000 2.333 122 L HA 0.568 4.912 4.340 0.006 0.000 0.269 122 L C -2.279 174.589 176.870 -0.003 0.000 1.010 122 L CA -2.680 52.161 54.840 0.001 0.000 0.818 122 L CB 2.270 44.330 42.059 0.001 0.000 1.306 122 L HN -0.176 nan 8.230 nan 0.000 0.430 123 P HA 0.079 nan 4.420 nan 0.000 0.274 123 P C 0.833 178.137 177.300 0.007 0.000 1.231 123 P CA -0.397 62.728 63.100 0.042 0.000 0.790 123 P CB 1.011 32.798 31.700 0.146 0.000 0.951 124 V N 1.856 121.685 119.914 -0.141 0.000 2.453 124 V HA -0.275 3.849 4.120 0.006 0.000 0.252 124 V C 2.201 178.317 176.094 0.036 0.000 1.068 124 V CA 2.776 64.997 62.300 -0.132 0.000 1.070 124 V CB -1.479 30.145 31.823 -0.331 0.000 0.664 124 V HN 0.710 nan 8.190 nan 0.000 0.461 125 S N -0.116 115.726 115.700 0.237 0.000 2.399 125 S HA -0.209 4.265 4.470 0.006 0.000 0.231 125 S C 1.743 176.389 174.600 0.075 0.000 1.022 125 S CA 1.328 59.624 58.200 0.160 0.000 0.983 125 S CB -0.345 62.937 63.200 0.137 0.000 0.803 125 S HN 0.634 nan 8.310 nan 0.000 0.480 126 E N 1.649 121.889 120.200 0.067 0.000 2.158 126 E HA 0.161 4.515 4.350 0.006 0.000 0.191 126 E C 2.113 178.726 176.600 0.021 0.000 0.982 126 E CA 0.456 56.878 56.400 0.036 0.000 0.823 126 E CB -0.570 29.148 29.700 0.030 0.000 0.766 126 E HN 0.524 nan 8.360 nan 0.000 0.468 127 L N 0.293 121.525 121.223 0.014 0.000 2.141 127 L HA -0.086 4.258 4.340 0.006 0.000 0.209 127 L C 2.093 178.966 176.870 0.006 0.000 1.094 127 L CA 0.721 55.562 54.840 0.001 0.000 0.763 127 L CB -0.258 41.792 42.059 -0.015 0.000 0.908 127 L HN 0.077 nan 8.230 nan 0.000 0.437 128 L N -0.876 120.355 121.223 0.013 0.000 2.627 128 L HA 0.111 4.455 4.340 0.006 0.000 0.233 128 L C 1.445 178.328 176.870 0.021 0.000 1.144 128 L CA 0.646 55.496 54.840 0.016 0.000 0.892 128 L CB -0.225 41.846 42.059 0.021 0.000 1.039 128 L HN 0.475 nan 8.230 nan 0.000 0.442 129 G N -0.855 107.956 108.800 0.020 0.000 2.617 129 G HA2 -0.005 3.958 3.960 0.006 0.000 0.197 129 G HA3 -0.005 3.958 3.960 0.006 0.000 0.197 129 G C 0.467 175.378 174.900 0.019 0.000 1.017 129 G CA -0.348 44.764 45.100 0.019 0.000 0.713 129 G HN 0.710 nan 8.290 nan 0.000 0.481 130 G N 0.091 108.905 108.800 0.023 0.000 2.634 130 G HA2 0.525 4.489 3.960 0.006 0.000 0.568 130 G HA3 0.525 4.489 3.960 0.006 0.000 0.568 130 G C -0.337 174.575 174.900 0.019 0.000 1.495 130 G CA 0.301 45.413 45.100 0.020 0.000 0.903 130 G HN 1.298 nan 8.290 nan 0.000 0.646 131 R N 0.805 121.314 120.500 0.015 0.000 2.539 131 R HA 0.595 4.938 4.340 0.006 0.000 0.275 131 R C 0.910 177.212 176.300 0.003 0.000 1.077 131 R CA 0.028 56.132 56.100 0.006 0.000 1.097 131 R CB 1.384 31.677 30.300 -0.012 0.000 1.018 131 R HN 1.192 nan 8.270 nan 0.000 0.483 132 V N -1.461 118.454 119.914 0.002 0.000 3.528 132 V HA 0.257 4.381 4.120 0.006 0.000 0.294 132 V C 0.385 176.476 176.094 -0.006 0.000 1.404 132 V CA -0.050 62.250 62.300 0.000 0.000 1.065 132 V CB -1.114 30.711 31.823 0.003 0.000 0.904 132 V HN 0.924 nan 8.190 nan 0.000 0.435 133 R N -1.176 119.317 120.500 -0.012 0.000 2.733 133 R HA 0.566 4.909 4.340 0.006 0.000 0.272 133 R C -1.213 175.068 176.300 -0.032 0.000 1.029 133 R CA -0.337 55.751 56.100 -0.019 0.000 0.888 133 R CB 1.240 31.527 30.300 -0.021 0.000 1.251 133 R HN 0.002 nan 8.270 nan 0.000 0.464 134 D N -0.093 120.288 120.400 -0.032 0.000 2.433 134 D HA 0.125 4.769 4.640 0.006 0.000 0.211 134 D C -0.582 175.674 176.300 -0.073 0.000 1.114 134 D CA 0.302 54.278 54.000 -0.040 0.000 0.837 134 D CB 0.966 41.766 40.800 -0.000 0.000 0.984 134 D HN 0.573 nan 8.370 nan 0.000 0.505 135 S N -0.466 115.169 115.700 -0.108 0.000 2.588 135 S HA 0.725 5.198 4.470 0.006 0.000 0.275 135 S C -1.139 173.364 174.600 -0.162 0.000 1.130 135 S CA -0.988 57.071 58.200 -0.235 0.000 0.855 135 S CB 1.847 64.778 63.200 -0.447 0.000 1.116 135 S HN -0.003 nan 8.310 nan 0.000 0.472 136 L N 1.055 122.177 121.223 -0.169 0.000 2.408 136 L HA 0.597 4.941 4.340 0.006 0.000 0.268 136 L C -0.391 176.458 176.870 -0.035 0.000 0.986 136 L CA -0.766 54.035 54.840 -0.064 0.000 0.820 136 L CB 2.046 44.104 42.059 -0.001 0.000 1.303 136 L HN 0.819 nan 8.230 nan 0.000 0.411 137 E N 2.088 122.291 120.200 0.006 0.000 2.384 137 E HA 0.322 4.676 4.350 0.006 0.000 0.266 137 E C -0.987 175.686 176.600 0.122 0.000 1.012 137 E CA -0.260 56.177 56.400 0.061 0.000 0.901 137 E CB 1.017 30.744 29.700 0.046 0.000 0.967 137 E HN 0.326 nan 8.360 nan 0.000 0.435 138 V N 2.014 122.055 119.914 0.211 0.000 2.487 138 V HA 0.867 4.990 4.120 0.006 0.000 0.298 138 V C 0.044 176.346 176.094 0.346 0.000 1.028 138 V CA -0.656 61.838 62.300 0.323 0.000 0.860 138 V CB 1.156 33.276 31.823 0.496 0.000 0.991 138 V HN 0.799 nan 8.190 nan 0.000 0.427 139 A N 5.532 128.498 122.820 0.245 0.000 2.271 139 A HA 0.743 5.067 4.320 0.006 0.000 0.288 139 A C -0.604 176.865 177.584 -0.190 0.000 1.094 139 A CA -0.691 51.387 52.037 0.068 0.000 0.828 139 A CB 1.100 20.189 19.000 0.148 0.000 1.091 139 A HN 1.289 nan 8.150 nan 0.000 0.493 140 W N 0.945 121.844 121.300 -0.668 0.000 2.839 140 W HA 0.421 5.085 4.660 0.006 0.000 0.334 140 W C -1.389 174.812 176.519 -0.531 0.000 1.064 140 W CA -0.366 56.377 57.345 -1.003 0.000 1.236 140 W CB 2.005 30.843 29.460 -1.037 0.000 1.405 140 W HN 0.609 nan 8.180 nan 0.000 0.478 141 T N 6.535 120.270 114.554 -1.366 0.000 2.729 141 T HA 0.317 4.670 4.350 0.006 0.000 0.296 141 T C 0.187 174.452 174.700 -0.725 0.000 0.928 141 T CA -0.210 61.449 62.100 -0.735 0.000 1.045 141 T CB 0.504 69.087 68.868 -0.475 0.000 0.902 141 T HN 0.208 nan 8.240 nan 0.000 0.500 142 L N 3.196 124.272 121.223 -0.246 0.000 2.295 142 L HA 0.454 4.798 4.340 0.006 0.000 0.288 142 L C 1.008 177.844 176.870 -0.058 0.000 1.079 142 L CA -0.473 54.320 54.840 -0.078 0.000 0.830 142 L CB 0.548 42.618 42.059 0.018 0.000 1.200 142 L HN 0.771 nan 8.230 nan 0.000 0.438 143 A N 1.167 123.946 122.820 -0.068 0.000 2.564 143 A HA 0.094 4.417 4.320 0.006 0.000 0.279 143 A C 1.710 179.297 177.584 0.005 0.000 1.232 143 A CA 0.287 52.304 52.037 -0.033 0.000 0.950 143 A CB 0.093 19.047 19.000 -0.076 0.000 1.138 143 A HN 0.715 nan 8.150 nan 0.000 0.526 144 S N -1.297 114.423 115.700 0.032 0.000 2.447 144 S HA 0.232 4.705 4.470 0.006 0.000 0.233 144 S C 1.769 176.375 174.600 0.010 0.000 1.006 144 S CA 1.476 59.696 58.200 0.032 0.000 0.957 144 S CB -0.322 62.908 63.200 0.050 0.000 0.773 144 S HN 1.875 nan 8.310 nan 0.000 0.507 145 G N 0.968 109.765 108.800 -0.005 0.000 2.320 145 G HA2 -0.305 3.659 3.960 0.006 0.000 0.242 145 G HA3 -0.305 3.659 3.960 0.006 0.000 0.242 145 G C -0.140 174.702 174.900 -0.096 0.000 1.033 145 G CA 0.293 45.343 45.100 -0.082 0.000 0.620 145 G HN 0.752 nan 8.290 nan 0.000 0.517 146 D N 0.370 120.769 120.400 -0.003 0.000 2.274 146 D HA 0.625 5.268 4.640 0.006 0.000 0.239 146 D C 1.750 178.114 176.300 0.107 0.000 1.104 146 D CA 0.576 54.592 54.000 0.027 0.000 0.840 146 D CB 0.962 41.776 40.800 0.024 0.000 1.100 146 D HN 0.033 nan 8.370 nan 0.000 0.477 147 T N 2.548 117.200 114.554 0.163 0.000 2.684 147 T HA -0.198 4.155 4.350 0.006 0.000 0.267 147 T C 1.885 176.635 174.700 0.085 0.000 1.036 147 T CA 1.452 63.682 62.100 0.217 0.000 1.148 147 T CB -0.288 68.716 68.868 0.227 0.000 0.863 147 T HN 0.547 nan 8.240 nan 0.000 0.436 148 A N 1.481 124.336 122.820 0.058 0.000 1.902 148 A HA -0.082 4.242 4.320 0.006 0.000 0.217 148 A C 2.418 180.015 177.584 0.022 0.000 1.181 148 A CA 1.442 53.496 52.037 0.029 0.000 0.623 148 A CB -0.527 18.487 19.000 0.023 0.000 0.818 148 A HN 0.375 nan 8.150 nan 0.000 0.443 149 R N -0.590 119.930 120.500 0.033 0.000 2.092 149 R HA -0.103 4.240 4.340 0.006 0.000 0.231 149 R C 1.568 177.889 176.300 0.034 0.000 1.119 149 R CA 1.397 57.517 56.100 0.032 0.000 0.970 149 R CB -0.250 30.072 30.300 0.038 0.000 0.864 149 R HN 0.475 nan 8.270 nan 0.000 0.440 150 D N 0.518 120.945 120.400 0.045 0.000 2.117 150 D HA -0.143 4.501 4.640 0.006 0.000 0.197 150 D C 1.844 178.111 176.300 -0.055 0.000 0.987 150 D CA 1.156 55.169 54.000 0.022 0.000 0.829 150 D CB -0.111 40.724 40.800 0.057 0.000 0.961 150 D HN 0.221 nan 8.370 nan 0.000 0.460 151 I N 1.069 121.606 120.570 -0.055 0.000 2.286 151 I HA -0.249 3.925 4.170 0.006 0.000 0.248 151 I C 2.451 178.526 176.117 -0.070 0.000 1.115 151 I CA 0.957 62.204 61.300 -0.088 0.000 1.392 151 I CB -0.161 37.806 38.000 -0.053 0.000 1.065 151 I HN -0.078 nan 8.210 nan 0.000 0.418 152 A N 0.217 123.021 122.820 -0.027 0.000 1.873 152 A HA -0.254 4.069 4.320 0.006 0.000 0.215 152 A C 2.317 179.913 177.584 0.020 0.000 1.186 152 A CA 1.824 53.859 52.037 -0.004 0.000 0.616 152 A CB -0.614 18.387 19.000 0.001 0.000 0.823 152 A HN 0.455 nan 8.150 nan 0.000 0.442 153 E N -0.308 119.909 120.200 0.028 0.000 2.110 153 E HA -0.114 4.239 4.350 0.006 0.000 0.193 153 E C 2.115 178.738 176.600 0.039 0.000 0.988 153 E CA 0.928 57.383 56.400 0.092 0.000 0.804 153 E CB -0.210 29.581 29.700 0.152 0.000 0.745 153 E HN 0.564 nan 8.360 nan 0.000 0.458 154 A N 1.245 123.967 122.820 -0.163 0.000 1.898 154 A HA -0.139 4.184 4.320 0.006 0.000 0.216 154 A C 2.101 179.593 177.584 -0.153 0.000 1.181 154 A CA 0.983 52.707 52.037 -0.521 0.000 0.620 154 A CB -0.319 18.125 19.000 -0.928 0.000 0.819 154 A HN 0.105 nan 8.150 nan 0.000 0.442 155 R N -1.002 119.466 120.500 -0.053 0.000 2.096 155 R HA -0.154 4.189 4.340 0.006 0.000 0.235 155 R C 2.111 178.477 176.300 0.110 0.000 1.127 155 R CA 1.750 57.874 56.100 0.040 0.000 0.968 155 R CB -0.934 29.386 30.300 0.033 0.000 0.861 155 R HN 0.807 nan 8.270 nan 0.000 0.440 156 H N 1.026 120.101 119.070 0.008 0.000 2.293 156 H HA -0.006 4.554 4.556 0.006 0.000 0.300 156 H C 1.947 177.291 175.328 0.027 0.000 1.082 156 H CA 1.730 57.783 56.048 0.009 0.000 1.308 156 H CB -0.046 29.710 29.762 -0.010 0.000 1.375 156 H HN -0.083 nan 8.280 nan 0.000 0.495 157 M N -0.178 119.383 119.600 -0.065 0.000 2.202 157 M HA -0.118 4.366 4.480 0.006 0.000 0.262 157 M C 2.465 178.809 176.300 0.073 0.000 1.063 157 M CA 1.084 56.344 55.300 -0.066 0.000 1.097 157 M CB -0.904 31.811 32.600 0.192 0.000 1.382 157 M HN 0.332 nan 8.290 nan 0.000 0.413 158 L N -0.566 120.787 121.223 0.215 0.000 2.072 158 L HA -0.166 4.178 4.340 0.006 0.000 0.205 158 L C 2.525 179.478 176.870 0.137 0.000 1.079 158 L CA 1.012 56.022 54.840 0.282 0.000 0.752 158 L CB -0.437 41.788 42.059 0.276 0.000 0.906 158 L HN 0.344 nan 8.230 nan 0.000 0.436 159 E N 0.970 121.200 120.200 0.050 0.000 2.038 159 E HA -0.250 4.104 4.350 0.006 0.000 0.195 159 E C 1.963 178.521 176.600 -0.071 0.000 1.000 159 E CA 1.692 58.099 56.400 0.012 0.000 0.803 159 E CB -0.096 29.631 29.700 0.046 0.000 0.750 159 E HN 0.629 nan 8.360 nan 0.000 0.448 160 I N -1.902 118.557 120.570 -0.184 0.000 3.646 160 I HA 0.135 4.308 4.170 0.006 0.000 0.301 160 I C 0.030 175.968 176.117 -0.297 0.000 1.276 160 I CA 0.058 61.219 61.300 -0.232 0.000 1.254 160 I CB -0.157 37.651 38.000 -0.319 0.000 1.020 160 I HN 0.044 nan 8.210 nan 0.000 0.473 161 R N 0.823 121.128 120.500 -0.324 0.000 3.516 161 R HA -0.186 4.158 4.340 0.006 0.000 0.271 161 R C 1.333 177.109 176.300 -0.874 0.000 1.098 161 R CA 0.625 56.275 56.100 -0.751 0.000 0.732 161 R CB -1.673 28.169 30.300 -0.764 0.000 1.152 161 R HN 0.562 nan 8.270 nan 0.000 0.455 162 R N 0.060 120.255 120.500 -0.509 0.000 2.105 162 R HA 0.088 4.432 4.340 0.006 0.000 0.214 162 R C 0.222 176.147 176.300 -0.625 0.000 1.091 162 R CA 0.926 56.675 56.100 -0.585 0.000 1.007 162 R CB 0.452 30.370 30.300 -0.637 0.000 0.912 162 R HN 0.299 nan 8.270 nan 0.000 0.450 163 H N -0.721 118.410 119.070 0.102 0.000 2.930 163 H HA 0.251 4.811 4.556 0.006 0.000 0.371 163 H C -0.178 175.187 175.328 0.061 0.000 1.169 163 H CA -0.526 55.570 56.048 0.081 0.000 1.157 163 H CB 1.817 31.466 29.762 -0.188 0.000 1.789 163 H HN 0.112 nan 8.280 nan 0.000 0.547 164 R N 0.144 120.577 120.500 -0.112 0.000 2.538 164 R HA 0.393 4.736 4.340 0.006 0.000 0.372 164 R C -1.020 175.045 176.300 -0.390 0.000 0.950 164 R CA -0.091 55.852 56.100 -0.262 0.000 1.168 164 R CB 0.612 30.587 30.300 -0.543 0.000 1.542 164 R HN 0.091 nan 8.270 nan 0.000 0.536 165 V N 2.081 121.641 119.914 -0.591 0.000 2.531 165 V HA 0.522 4.646 4.120 0.006 0.000 0.301 165 V C -1.304 174.404 176.094 -0.642 0.000 1.034 165 V CA -0.602 61.478 62.300 -0.367 0.000 0.865 165 V CB 1.469 33.236 31.823 -0.095 0.000 0.995 165 V HN 0.071 nan 8.190 nan 0.000 0.424 166 F N 2.997 122.991 119.950 0.074 0.000 2.532 166 F HA 0.650 5.181 4.527 0.006 0.000 0.321 166 F C 0.042 175.837 175.800 -0.008 0.000 1.089 166 F CA -0.804 57.218 58.000 0.037 0.000 0.926 166 F CB 2.065 41.097 39.000 0.054 0.000 1.168 166 F HN 0.276 nan 8.300 nan 0.000 0.459 167 K N 3.439 123.905 120.400 0.110 0.000 2.270 167 K HA 0.756 5.080 4.320 0.006 0.000 0.255 167 K C -1.775 174.829 176.600 0.007 0.000 0.936 167 K CA -0.536 55.768 56.287 0.029 0.000 0.809 167 K CB 1.328 33.831 32.500 0.005 0.000 1.131 167 K HN 0.705 nan 8.250 nan 0.000 0.427 168 L N 4.188 125.415 121.223 0.007 0.000 2.333 168 L HA 0.442 4.785 4.340 0.006 0.000 0.280 168 L C -0.288 176.589 176.870 0.012 0.000 1.004 168 L CA -0.878 53.977 54.840 0.025 0.000 0.820 168 L CB 1.791 43.874 42.059 0.040 0.000 1.247 168 L HN 0.441 nan 8.230 nan 0.000 0.416 169 K N 5.709 126.123 120.400 0.022 0.000 2.262 169 K HA 0.533 4.857 4.320 0.006 0.000 0.282 169 K C -0.514 176.112 176.600 0.043 0.000 1.066 169 K CA -0.202 56.091 56.287 0.010 0.000 0.901 169 K CB 1.340 33.852 32.500 0.020 0.000 1.089 169 K HN 0.551 nan 8.250 nan 0.000 0.476 170 I N -2.882 117.691 120.570 0.006 0.000 3.294 170 I HA 0.712 4.885 4.170 0.006 0.000 0.311 170 I C 0.713 176.847 176.117 0.029 0.000 1.111 170 I CA -0.769 60.557 61.300 0.045 0.000 0.976 170 I CB 2.130 40.179 38.000 0.082 0.000 1.260 170 I HN 0.646 nan 8.210 nan 0.000 0.474 171 G N 0.684 109.545 108.800 0.101 0.000 2.231 171 G HA2 -0.196 3.768 3.960 0.006 0.000 0.206 171 G HA3 -0.196 3.768 3.960 0.006 0.000 0.206 171 G C 0.789 175.770 174.900 0.135 0.000 0.996 171 G CA 0.431 45.619 45.100 0.146 0.000 0.645 171 G HN 1.247 nan 8.290 nan 0.000 0.498 172 A N -0.235 122.613 122.820 0.046 0.000 2.178 172 A HA 0.563 4.887 4.320 0.006 0.000 0.211 172 A C 0.935 178.496 177.584 -0.038 0.000 1.157 172 A CA 1.423 53.395 52.037 -0.108 0.000 0.780 172 A CB -0.040 18.894 19.000 -0.111 0.000 0.828 172 A HN 0.555 nan 8.150 nan 0.000 0.476 173 N N -0.707 118.012 118.700 0.032 0.000 2.525 173 N HA 0.508 5.251 4.740 0.006 0.000 0.288 173 N C -3.034 172.520 175.510 0.074 0.000 1.242 173 N CA -1.765 51.303 53.050 0.031 0.000 0.905 173 N CB 0.435 38.932 38.487 0.017 0.000 1.258 173 N HN -0.162 nan 8.380 nan 0.000 0.551 174 P HA -0.019 nan 4.420 nan 0.000 0.265 174 P C 0.686 178.031 177.300 0.075 0.000 1.193 174 P CA -0.062 63.067 63.100 0.048 0.000 0.765 174 P CB 0.592 32.303 31.700 0.019 0.000 0.823 175 V N 3.799 123.750 119.914 0.062 0.000 2.252 175 V HA -0.324 3.800 4.120 0.006 0.000 0.255 175 V C 2.285 178.399 176.094 0.034 0.000 1.071 175 V CA 2.424 64.745 62.300 0.036 0.000 1.050 175 V CB -1.070 30.641 31.823 -0.188 0.000 0.654 175 V HN 0.709 nan 8.190 nan 0.000 0.448 176 E N 0.417 120.616 120.200 -0.002 0.000 2.265 176 E HA -0.304 4.050 4.350 0.006 0.000 0.196 176 E C 2.058 178.681 176.600 0.039 0.000 0.996 176 E CA 1.701 58.105 56.400 0.006 0.000 0.832 176 E CB -0.431 29.262 29.700 -0.011 0.000 0.756 176 E HN 0.778 nan 8.360 nan 0.000 0.491 177 Q N 0.600 120.430 119.800 0.050 0.000 2.096 177 Q HA -0.116 4.228 4.340 0.006 0.000 0.197 177 Q C 1.426 177.484 176.000 0.097 0.000 0.964 177 Q CA 1.320 57.157 55.803 0.056 0.000 0.838 177 Q CB 0.182 28.941 28.738 0.035 0.000 0.906 177 Q HN 0.141 nan 8.270 nan 0.000 0.444 178 D N 0.385 120.863 120.400 0.130 0.000 2.144 178 D HA -0.110 4.533 4.640 0.006 0.000 0.200 178 D C 1.962 178.392 176.300 0.217 0.000 0.978 178 D CA 0.782 54.899 54.000 0.196 0.000 0.833 178 D CB 0.008 40.959 40.800 0.252 0.000 0.961 178 D HN 0.300 nan 8.370 nan 0.000 0.470 179 L N 0.581 121.903 121.223 0.164 0.000 2.056 179 L HA -0.134 4.210 4.340 0.006 0.000 0.207 179 L C 2.511 179.438 176.870 0.095 0.000 1.078 179 L CA 0.989 55.902 54.840 0.122 0.000 0.749 179 L CB -0.347 41.752 42.059 0.066 0.000 0.901 179 L HN -0.018 nan 8.230 nan 0.000 0.433 180 K N -0.527 119.929 120.400 0.093 0.000 2.026 180 K HA -0.252 4.072 4.320 0.006 0.000 0.208 180 K C 2.279 178.941 176.600 0.104 0.000 1.048 180 K CA 1.399 57.733 56.287 0.078 0.000 0.929 180 K CB -0.231 32.310 32.500 0.069 0.000 0.713 180 K HN 0.384 nan 8.250 nan 0.000 0.439 181 H N 0.102 119.192 119.070 0.033 0.000 2.290 181 H HA -0.125 4.435 4.556 0.006 0.000 0.298 181 H C 1.898 177.243 175.328 0.028 0.000 1.087 181 H CA 2.078 58.143 56.048 0.029 0.000 1.291 181 H CB 0.040 29.822 29.762 0.034 0.000 1.369 181 H HN 0.056 nan 8.280 nan 0.000 0.492 182 V N 0.831 120.705 119.914 -0.067 0.000 2.343 182 V HA -0.212 3.912 4.120 0.006 0.000 0.247 182 V C 2.946 178.994 176.094 -0.076 0.000 1.051 182 V CA 1.381 63.606 62.300 -0.126 0.000 1.036 182 V CB -0.460 31.370 31.823 0.011 0.000 0.654 182 V HN 0.280 nan 8.190 nan 0.000 0.451 183 V N -0.149 119.754 119.914 -0.019 0.000 2.427 183 V HA -0.233 3.891 4.120 0.006 0.000 0.248 183 V C 2.539 178.620 176.094 -0.022 0.000 1.051 183 V CA 2.447 64.741 62.300 -0.009 0.000 1.048 183 V CB -0.927 30.902 31.823 0.011 0.000 0.666 183 V HN 0.607 nan 8.190 nan 0.000 0.456 184 T N 0.291 114.827 114.554 -0.030 0.000 2.777 184 T HA -0.076 4.278 4.350 0.006 0.000 0.266 184 T C 1.834 176.503 174.700 -0.053 0.000 1.040 184 T CA 1.572 63.655 62.100 -0.028 0.000 1.141 184 T CB -0.232 68.630 68.868 -0.010 0.000 0.868 184 T HN 0.345 nan 8.240 nan 0.000 0.444 185 I N 0.784 121.290 120.570 -0.106 0.000 2.226 185 I HA -0.138 4.035 4.170 0.006 0.000 0.245 185 I C 2.519 178.595 176.117 -0.067 0.000 1.100 185 I CA 1.079 62.308 61.300 -0.118 0.000 1.374 185 I CB -0.197 37.679 38.000 -0.205 0.000 1.057 185 I HN 0.097 nan 8.210 nan 0.000 0.413 186 K N 1.362 121.735 120.400 -0.046 0.000 2.155 186 K HA -0.141 4.182 4.320 0.006 0.000 0.203 186 K C 2.157 178.755 176.600 -0.004 0.000 1.052 186 K CA 1.233 57.514 56.287 -0.010 0.000 0.948 186 K CB -0.225 32.275 32.500 0.001 0.000 0.728 186 K HN 0.090 nan 8.250 nan 0.000 0.448 187 R N 0.384 120.878 120.500 -0.011 0.000 2.073 187 R HA -0.083 4.261 4.340 0.006 0.000 0.234 187 R C 1.502 177.800 176.300 -0.003 0.000 1.134 187 R CA 1.635 57.733 56.100 -0.004 0.000 0.952 187 R CB -0.050 30.247 30.300 -0.005 0.000 0.850 187 R HN 0.194 nan 8.270 nan 0.000 0.433 188 E N 0.402 120.595 120.200 -0.012 0.000 2.158 188 E HA -0.116 4.237 4.350 0.006 0.000 0.191 188 E C 2.064 178.660 176.600 -0.006 0.000 0.982 188 E CA 0.772 57.166 56.400 -0.010 0.000 0.823 188 E CB 0.099 29.788 29.700 -0.019 0.000 0.766 188 E HN 0.436 nan 8.360 nan 0.000 0.468 189 L N -0.160 121.058 121.223 -0.007 0.000 2.209 189 L HA 0.069 4.412 4.340 0.006 0.000 0.207 189 L C 1.586 178.473 176.870 0.028 0.000 1.094 189 L CA 0.568 55.414 54.840 0.010 0.000 0.790 189 L CB -0.612 41.455 42.059 0.013 0.000 0.932 189 L HN 0.172 nan 8.230 nan 0.000 0.447 190 G N 0.840 109.654 108.800 0.023 0.000 2.550 190 G HA2 -0.341 3.623 3.960 0.006 0.000 0.277 190 G HA3 -0.341 3.623 3.960 0.006 0.000 0.277 190 G C 0.154 175.074 174.900 0.034 0.000 1.190 190 G CA 0.325 45.440 45.100 0.025 0.000 0.971 190 G HN 0.291 nan 8.290 nan 0.000 0.559 191 D N 1.179 121.596 120.400 0.028 0.000 2.349 191 D HA 0.123 4.766 4.640 0.006 0.000 0.224 191 D C 2.517 178.833 176.300 0.027 0.000 1.029 191 D CA 1.300 55.315 54.000 0.026 0.000 0.879 191 D CB -0.062 40.748 40.800 0.017 0.000 0.906 191 D HN 0.570 nan 8.370 nan 0.000 0.528 192 S N -0.546 115.178 115.700 0.040 0.000 2.461 192 S HA 0.232 4.706 4.470 0.006 0.000 0.228 192 S C 0.959 175.599 174.600 0.067 0.000 1.005 192 S CA 0.047 58.275 58.200 0.046 0.000 0.942 192 S CB 0.394 63.631 63.200 0.063 0.000 0.776 192 S HN 0.168 nan 8.310 nan 0.000 0.514 193 A N 0.683 123.566 122.820 0.105 0.000 2.515 193 A HA 0.767 5.090 4.320 0.006 0.000 0.296 193 A C -0.512 177.149 177.584 0.127 0.000 1.094 193 A CA -0.562 51.575 52.037 0.166 0.000 0.718 193 A CB 1.621 20.866 19.000 0.408 0.000 1.307 193 A HN 0.248 nan 8.150 nan 0.000 0.408 194 S N 0.218 115.983 115.700 0.109 0.000 2.442 194 S HA 0.591 5.064 4.470 0.006 0.000 0.297 194 S C -0.839 173.844 174.600 0.139 0.000 1.131 194 S CA -0.384 57.875 58.200 0.098 0.000 1.092 194 S CB 0.397 63.643 63.200 0.076 0.000 0.998 194 S HN 0.873 nan 8.310 nan 0.000 0.478 195 V N 6.444 126.427 119.914 0.115 0.000 2.417 195 V HA 0.627 4.751 4.120 0.006 0.000 0.291 195 V C -0.124 175.996 176.094 0.044 0.000 1.024 195 V CA -0.723 61.641 62.300 0.107 0.000 0.861 195 V CB 1.501 33.370 31.823 0.077 0.000 0.985 195 V HN 0.901 nan 8.190 nan 0.000 0.436 196 R N 2.399 122.913 120.500 0.024 0.000 2.837 196 R HA 0.876 5.220 4.340 0.006 0.000 0.271 196 R C -0.973 175.300 176.300 -0.046 0.000 0.993 196 R CA -0.729 55.344 56.100 -0.046 0.000 0.931 196 R CB 2.454 32.696 30.300 -0.097 0.000 1.206 196 R HN 0.643 nan 8.270 nan 0.000 0.474 197 V N -2.266 117.599 119.914 -0.082 0.000 3.046 197 V HA 0.712 4.835 4.120 0.006 0.000 0.316 197 V C -1.118 174.897 176.094 -0.133 0.000 1.104 197 V CA -0.717 61.536 62.300 -0.079 0.000 1.006 197 V CB 2.210 34.001 31.823 -0.054 0.000 1.058 197 V HN 0.698 nan 8.190 nan 0.000 0.440 198 D N 0.718 121.034 120.400 -0.140 0.000 2.736 198 D HA 0.476 5.119 4.640 0.006 0.000 0.243 198 D C 0.092 176.241 176.300 -0.252 0.000 1.304 198 D CA -0.281 53.611 54.000 -0.179 0.000 0.934 198 D CB 2.214 42.944 40.800 -0.117 0.000 1.382 198 D HN 0.379 nan 8.370 nan 0.000 0.571 199 V N 2.754 122.436 119.914 -0.387 0.000 3.608 199 V HA 0.089 4.213 4.120 0.006 0.000 0.269 199 V C 0.954 176.681 176.094 -0.613 0.000 1.245 199 V CA -0.187 61.767 62.300 -0.576 0.000 1.138 199 V CB -0.943 30.274 31.823 -1.009 0.000 0.841 199 V HN 0.740 nan 8.190 nan 0.000 0.451 200 N N 1.672 120.065 118.700 -0.512 0.000 2.714 200 N HA -0.297 4.446 4.740 0.006 0.000 0.252 200 N C 0.557 175.600 175.510 -0.779 0.000 1.014 200 N CA 1.160 53.839 53.050 -0.619 0.000 0.735 200 N CB -0.823 37.242 38.487 -0.704 0.000 0.924 200 N HN 0.809 nan 8.380 nan 0.000 0.540 201 Q N -3.771 115.756 119.800 -0.454 0.000 2.416 201 Q HA -0.282 4.062 4.340 0.006 0.000 0.235 201 Q C 0.077 176.007 176.000 -0.117 0.000 0.773 201 Q CA 1.409 57.059 55.803 -0.254 0.000 1.286 201 Q CB -1.402 27.226 28.738 -0.184 0.000 1.556 201 Q HN 0.581 nan 8.270 nan 0.000 0.650 202 Y N -1.412 118.785 120.300 -0.172 0.000 2.509 202 Y HA -0.070 4.484 4.550 0.006 0.000 0.293 202 Y C 1.134 177.070 175.900 0.061 0.000 1.133 202 Y CA 0.454 58.489 58.100 -0.109 0.000 1.283 202 Y CB 0.169 38.536 38.460 -0.154 0.000 1.001 202 Y HN 0.195 nan 8.280 nan 0.000 0.555 203 W N 1.608 122.979 121.300 0.118 0.000 2.509 203 W HA 0.335 4.997 4.660 0.004 0.000 0.351 203 W C -0.016 176.525 176.519 0.037 0.000 1.107 203 W CA -1.720 55.664 57.345 0.065 0.000 1.264 203 W CB 0.490 29.975 29.460 0.041 0.000 1.312 203 W HN 0.010 nan 8.180 nan 0.000 0.608 204 D N -1.182 119.374 120.400 0.260 0.000 2.387 204 D HA 0.091 4.734 4.640 0.006 0.000 0.255 204 D C 0.786 177.158 176.300 0.121 0.000 1.081 204 D CA -0.535 53.551 54.000 0.143 0.000 0.994 204 D CB 0.832 41.682 40.800 0.083 0.000 1.127 204 D HN 0.530 nan 8.370 nan 0.000 0.513 205 E N -0.272 119.975 120.200 0.078 0.000 2.130 205 E HA -0.264 4.090 4.350 0.006 0.000 0.196 205 E C 1.606 178.214 176.600 0.015 0.000 0.998 205 E CA 1.637 58.070 56.400 0.055 0.000 0.806 205 E CB -0.002 29.720 29.700 0.037 0.000 0.738 205 E HN 0.540 nan 8.360 nan 0.000 0.459 206 S N -0.163 115.537 115.700 -0.001 0.000 2.402 206 S HA -0.199 4.274 4.470 0.006 0.000 0.229 206 S C 1.875 176.424 174.600 -0.085 0.000 1.021 206 S CA 1.088 59.268 58.200 -0.034 0.000 0.974 206 S CB -0.176 63.009 63.200 -0.026 0.000 0.800 206 S HN 0.318 nan 8.310 nan 0.000 0.484 207 Q N 0.981 120.713 119.800 -0.113 0.000 2.137 207 Q HA 0.257 4.601 4.340 0.006 0.000 0.198 207 Q C 2.597 178.341 176.000 -0.426 0.000 0.960 207 Q CA 1.055 56.688 55.803 -0.283 0.000 0.847 207 Q CB -0.452 28.079 28.738 -0.346 0.000 0.915 207 Q HN 0.734 nan 8.270 nan 0.000 0.448 208 A N 0.992 123.681 122.820 -0.219 0.000 1.972 208 A HA -0.171 4.153 4.320 0.006 0.000 0.219 208 A C 2.020 179.541 177.584 -0.105 0.000 1.169 208 A CA 0.960 52.932 52.037 -0.107 0.000 0.635 208 A CB -0.638 18.496 19.000 0.223 0.000 0.810 208 A HN 0.294 nan 8.150 nan 0.000 0.446 209 I N -0.910 119.610 120.570 -0.084 0.000 2.087 209 I HA -0.338 3.836 4.170 0.006 0.000 0.240 209 I C 2.780 178.847 176.117 -0.083 0.000 1.054 209 I CA 2.167 63.430 61.300 -0.061 0.000 1.311 209 I CB -0.271 37.698 38.000 -0.051 0.000 1.024 209 I HN 0.369 nan 8.210 nan 0.000 0.402 210 R N 0.646 121.069 120.500 -0.128 0.000 2.075 210 R HA -0.086 4.258 4.340 0.006 0.000 0.226 210 R C 2.369 178.581 176.300 -0.147 0.000 1.114 210 R CA 1.231 57.258 56.100 -0.122 0.000 0.972 210 R CB -0.201 30.022 30.300 -0.129 0.000 0.869 210 R HN 0.368 nan 8.270 nan 0.000 0.437 211 A N 0.462 123.123 122.820 -0.265 0.000 1.908 211 A HA -0.189 4.134 4.320 0.006 0.000 0.218 211 A C 2.391 179.930 177.584 -0.076 0.000 1.181 211 A CA 1.617 53.474 52.037 -0.300 0.000 0.627 211 A CB -0.915 17.553 19.000 -0.886 0.000 0.818 211 A HN 0.563 nan 8.150 nan 0.000 0.445 212 C N -1.447 117.840 119.300 -0.022 0.000 2.435 212 C HA -0.034 4.429 4.460 0.006 0.000 0.279 212 C C 2.816 177.817 174.990 0.020 0.000 1.321 212 C CA 1.312 60.365 59.018 0.059 0.000 1.752 212 C CB -0.962 26.819 27.740 0.069 0.000 1.959 212 C HN 0.774 nan 8.230 nan 0.000 0.500 213 Q N 0.840 120.634 119.800 -0.010 0.000 2.049 213 Q HA -0.095 4.249 4.340 0.006 0.000 0.198 213 Q C 2.116 178.112 176.000 -0.007 0.000 0.971 213 Q CA 1.872 57.668 55.803 -0.012 0.000 0.833 213 Q CB -0.312 28.412 28.738 -0.024 0.000 0.896 213 Q HN 0.441 nan 8.270 nan 0.000 0.434 214 V N 0.584 120.489 119.914 -0.014 0.000 2.295 214 V HA -0.264 3.860 4.120 0.006 0.000 0.246 214 V C 2.303 178.405 176.094 0.013 0.000 1.049 214 V CA 1.760 64.057 62.300 -0.006 0.000 1.024 214 V CB -0.616 31.198 31.823 -0.015 0.000 0.648 214 V HN 0.382 nan 8.190 nan 0.000 0.447 215 L N 0.287 121.528 121.223 0.030 0.000 2.017 215 L HA -0.085 4.259 4.340 0.006 0.000 0.208 215 L C 2.669 179.553 176.870 0.024 0.000 1.073 215 L CA 1.828 56.694 54.840 0.043 0.000 0.745 215 L CB -1.204 40.903 42.059 0.081 0.000 0.894 215 L HN 0.477 nan 8.230 nan 0.000 0.432 216 G N -0.547 108.263 108.800 0.018 0.000 2.422 216 G HA2 -0.231 3.733 3.960 0.006 0.000 0.218 216 G HA3 -0.231 3.733 3.960 0.006 0.000 0.218 216 G C 1.105 176.010 174.900 0.009 0.000 1.146 216 G CA 0.733 45.838 45.100 0.009 0.000 0.769 216 G HN 0.303 nan 8.290 nan 0.000 0.547 217 D N 0.425 120.830 120.400 0.008 0.000 2.312 217 D HA -0.017 4.626 4.640 0.006 0.000 0.211 217 D C 1.289 177.594 176.300 0.009 0.000 0.964 217 D CA 0.416 54.420 54.000 0.007 0.000 0.877 217 D CB -0.011 40.791 40.800 0.003 0.000 0.924 217 D HN 0.242 nan 8.370 nan 0.000 0.515 218 N N -0.141 118.566 118.700 0.011 0.000 2.321 218 N HA 0.159 4.902 4.740 0.006 0.000 0.242 218 N C 0.807 176.325 175.510 0.014 0.000 1.141 218 N CA 0.179 53.236 53.050 0.012 0.000 0.864 218 N CB 1.419 39.913 38.487 0.011 0.000 1.100 218 N HN 0.095 nan 8.380 nan 0.000 0.510 219 G N 1.069 109.879 108.800 0.017 0.000 2.148 219 G HA2 -0.273 3.691 3.960 0.006 0.000 0.254 219 G HA3 -0.273 3.691 3.960 0.006 0.000 0.254 219 G C 0.020 174.935 174.900 0.024 0.000 0.981 219 G CA -0.250 44.863 45.100 0.022 0.000 0.670 219 G HN 0.250 nan 8.290 nan 0.000 0.528 220 I N 1.633 122.212 120.570 0.015 0.000 2.471 220 I HA 0.246 4.420 4.170 0.006 0.000 0.286 220 I C 1.301 177.411 176.117 -0.012 0.000 1.079 220 I CA -0.442 60.861 61.300 0.005 0.000 1.398 220 I CB 1.044 39.045 38.000 0.002 0.000 1.403 220 I HN 0.026 nan 8.210 nan 0.000 0.530 221 D N 5.333 125.726 120.400 -0.012 0.000 2.178 221 D HA -0.002 4.642 4.640 0.006 0.000 0.202 221 D C 0.178 176.343 176.300 -0.224 0.000 0.974 221 D CA 1.417 55.400 54.000 -0.029 0.000 0.841 221 D CB 0.052 40.911 40.800 0.099 0.000 0.953 221 D HN 0.385 nan 8.370 nan 0.000 0.478 222 L N -2.845 118.217 121.223 -0.268 0.000 2.622 222 L HA 0.503 4.847 4.340 0.006 0.000 0.258 222 L C -1.395 175.322 176.870 -0.255 0.000 0.996 222 L CA -0.954 53.654 54.840 -0.386 0.000 0.858 222 L CB 1.645 43.260 42.059 -0.739 0.000 1.449 222 L HN -0.294 nan 8.230 nan 0.000 0.411 223 I N 1.331 121.769 120.570 -0.221 0.000 2.382 223 I HA 0.445 4.618 4.170 0.006 0.000 0.285 223 I C -0.357 175.650 176.117 -0.184 0.000 1.007 223 I CA -0.271 60.939 61.300 -0.150 0.000 1.142 223 I CB 1.741 39.709 38.000 -0.053 0.000 1.289 223 I HN 0.786 nan 8.210 nan 0.000 0.453 224 E N 5.948 126.024 120.200 -0.205 0.000 2.200 224 E HA 0.134 4.488 4.350 0.006 0.000 0.283 224 E C -0.114 176.377 176.600 -0.183 0.000 1.015 224 E CA -0.634 55.645 56.400 -0.200 0.000 0.819 224 E CB 0.792 30.364 29.700 -0.213 0.000 1.081 224 E HN 0.473 nan 8.360 nan 0.000 0.397 225 Q N 3.956 123.670 119.800 -0.143 0.000 2.413 225 Q HA -0.176 4.167 4.340 0.006 0.000 0.364 225 Q C -1.908 173.984 176.000 -0.179 0.000 1.359 225 Q CA 0.669 56.391 55.803 -0.136 0.000 1.097 225 Q CB -0.197 28.458 28.738 -0.138 0.000 1.286 225 Q HN 0.521 nan 8.270 nan 0.000 0.358 226 P HA -0.120 nan 4.420 nan 0.000 0.216 226 P C 0.709 177.985 177.300 -0.040 0.000 1.153 226 P CA 1.716 64.737 63.100 -0.132 0.000 0.848 226 P CB -0.119 31.639 31.700 0.096 0.000 0.787 227 I N -4.544 116.034 120.570 0.013 0.000 3.067 227 I HA 0.563 4.736 4.170 0.006 0.000 0.312 227 I C 0.169 176.282 176.117 -0.007 0.000 1.073 227 I CA -1.419 59.908 61.300 0.046 0.000 1.016 227 I CB 1.940 39.993 38.000 0.088 0.000 1.227 227 I HN -0.288 nan 8.210 nan 0.000 0.456 228 S N 1.065 116.769 115.700 0.007 0.000 2.568 228 S HA 0.102 4.575 4.470 0.006 0.000 0.282 228 S C 1.349 175.941 174.600 -0.012 0.000 1.338 228 S CA -0.142 58.051 58.200 -0.013 0.000 1.045 228 S CB 0.553 63.756 63.200 0.005 0.000 0.873 228 S HN 0.855 nan 8.310 nan 0.000 0.516 229 R N 3.788 124.273 120.500 -0.024 0.000 2.241 229 R HA -0.054 4.289 4.340 0.006 0.000 0.224 229 R C 1.899 178.197 176.300 -0.002 0.000 1.101 229 R CA 1.825 57.915 56.100 -0.018 0.000 0.995 229 R CB -0.890 29.396 30.300 -0.023 0.000 0.870 229 R HN 0.846 nan 8.270 nan 0.000 0.463 230 I N -1.323 119.249 120.570 0.003 0.000 2.676 230 I HA 0.005 4.179 4.170 0.006 0.000 0.259 230 I C 0.411 176.536 176.117 0.013 0.000 1.194 230 I CA 0.553 61.860 61.300 0.011 0.000 1.473 230 I CB -0.309 37.699 38.000 0.013 0.000 1.096 230 I HN -0.010 nan 8.210 nan 0.000 0.443 231 N N 2.180 120.888 118.700 0.014 0.000 2.918 231 N HA 0.079 4.823 4.740 0.006 0.000 0.247 231 N C 0.877 176.395 175.510 0.014 0.000 1.117 231 N CA -0.116 52.944 53.050 0.017 0.000 1.005 231 N CB 0.502 39.003 38.487 0.023 0.000 1.297 231 N HN 0.226 nan 8.380 nan 0.000 0.513 232 R N 2.343 122.850 120.500 0.013 0.000 2.066 232 R HA 0.071 4.414 4.340 0.006 0.000 0.232 232 R C 1.862 178.169 176.300 0.012 0.000 1.131 232 R CA 1.983 58.090 56.100 0.011 0.000 0.955 232 R CB -0.907 29.400 30.300 0.011 0.000 0.851 232 R HN 0.508 nan 8.270 nan 0.000 0.432 233 G N -0.901 107.906 108.800 0.012 0.000 2.442 233 G HA2 -0.218 3.746 3.960 0.006 0.000 0.219 233 G HA3 -0.218 3.746 3.960 0.006 0.000 0.219 233 G C 1.545 176.453 174.900 0.013 0.000 1.141 233 G CA 0.774 45.880 45.100 0.011 0.000 0.763 233 G HN 0.532 nan 8.290 nan 0.000 0.554 234 G N 0.063 108.873 108.800 0.016 0.000 2.422 234 G HA2 -0.164 3.800 3.960 0.006 0.000 0.218 234 G HA3 -0.164 3.800 3.960 0.006 0.000 0.218 234 G C 1.794 176.707 174.900 0.022 0.000 1.146 234 G CA 1.044 46.157 45.100 0.021 0.000 0.769 234 G HN 0.518 nan 8.290 nan 0.000 0.547 235 Q N -0.316 119.495 119.800 0.020 0.000 2.079 235 Q HA -0.024 4.319 4.340 0.006 0.000 0.200 235 Q C 2.850 178.860 176.000 0.017 0.000 0.974 235 Q CA 1.166 56.981 55.803 0.019 0.000 0.840 235 Q CB -0.148 28.599 28.738 0.016 0.000 0.898 235 Q HN 0.391 nan 8.270 nan 0.000 0.430 236 V N 0.899 120.821 119.914 0.014 0.000 2.295 236 V HA -0.266 3.857 4.120 0.006 0.000 0.246 236 V C 2.164 178.263 176.094 0.008 0.000 1.049 236 V CA 1.818 64.124 62.300 0.010 0.000 1.024 236 V CB -0.482 31.346 31.823 0.007 0.000 0.648 236 V HN 0.288 nan 8.190 nan 0.000 0.447 237 R N -0.355 120.150 120.500 0.009 0.000 2.081 237 R HA -0.060 4.283 4.340 0.006 0.000 0.235 237 R C 2.300 178.605 176.300 0.009 0.000 1.131 237 R CA 1.335 57.440 56.100 0.008 0.000 0.960 237 R CB -0.410 29.895 30.300 0.008 0.000 0.856 237 R HN 0.409 nan 8.270 nan 0.000 0.436 238 L N 0.646 121.878 121.223 0.014 0.000 2.141 238 L HA -0.159 4.184 4.340 0.006 0.000 0.209 238 L C 2.082 178.957 176.870 0.008 0.000 1.094 238 L CA 0.976 55.826 54.840 0.016 0.000 0.763 238 L CB -0.428 41.649 42.059 0.030 0.000 0.908 238 L HN 0.229 nan 8.230 nan 0.000 0.437 239 N N -0.051 118.653 118.700 0.006 0.000 2.309 239 N HA -0.192 4.552 4.740 0.006 0.000 0.182 239 N C 1.818 177.327 175.510 -0.003 0.000 1.018 239 N CA 1.177 54.227 53.050 -0.000 0.000 0.876 239 N CB 0.152 38.641 38.487 0.003 0.000 0.972 239 N HN 0.366 nan 8.380 nan 0.000 0.434 240 Q N -1.001 118.799 119.800 0.000 0.000 2.339 240 Q HA 0.059 4.402 4.340 0.006 0.000 0.205 240 Q C 1.689 177.689 176.000 -0.001 0.000 0.925 240 Q CA 0.579 56.381 55.803 -0.001 0.000 0.898 240 Q CB 0.322 29.059 28.738 -0.001 0.000 1.013 240 Q HN 0.532 nan 8.270 nan 0.000 0.504 241 R N -0.371 120.129 120.500 0.000 0.000 2.250 241 R HA 0.145 4.488 4.340 0.006 0.000 0.194 241 R C 0.990 177.290 176.300 -0.000 0.000 0.927 241 R CA 0.257 56.357 56.100 -0.000 0.000 1.052 241 R CB -0.173 30.127 30.300 -0.001 0.000 1.055 241 R HN -0.170 nan 8.270 nan 0.000 0.537 242 T N 2.386 116.940 114.554 0.001 0.000 2.888 242 T HA 0.153 4.507 4.350 0.006 0.000 0.301 242 T C -1.744 172.954 174.700 -0.003 0.000 1.001 242 T CA -1.555 60.546 62.100 0.001 0.000 1.147 242 T CB 1.239 70.110 68.868 0.005 0.000 0.931 242 T HN 0.050 nan 8.240 nan 0.000 0.541 243 P HA 0.149 nan 4.420 nan 0.000 0.220 243 P C -0.293 177.005 177.300 -0.004 0.000 1.148 243 P CA 0.440 63.540 63.100 -0.000 0.000 0.803 243 P CB 0.185 31.887 31.700 0.002 0.000 0.782 244 A N -0.389 122.421 122.820 -0.016 0.000 2.324 244 A HA 0.588 4.912 4.320 0.006 0.000 0.330 244 A C -2.629 174.911 177.584 -0.073 0.000 1.165 244 A CA -2.071 49.940 52.037 -0.043 0.000 0.813 244 A CB 0.215 19.185 19.000 -0.050 0.000 1.197 244 A HN -0.095 nan 8.150 nan 0.000 0.484 245 P HA 0.163 nan 4.420 nan 0.000 0.269 245 P C -0.639 176.550 177.300 -0.185 0.000 1.209 245 P CA 0.045 63.056 63.100 -0.147 0.000 0.776 245 P CB 0.372 31.947 31.700 -0.208 0.000 0.876 246 I N 3.290 123.783 120.570 -0.129 0.000 2.336 246 I HA 0.380 4.553 4.170 0.006 0.000 0.292 246 I C 0.305 176.352 176.117 -0.117 0.000 0.991 246 I CA -0.446 60.789 61.300 -0.108 0.000 1.227 246 I CB 0.765 38.739 38.000 -0.043 0.000 1.366 246 I HN 0.417 nan 8.210 nan 0.000 0.466 247 M N 6.124 125.636 119.600 -0.146 0.000 2.364 247 M HA 0.717 5.200 4.480 0.006 0.000 0.334 247 M C -0.754 175.522 176.300 -0.040 0.000 1.107 247 M CA -0.371 54.863 55.300 -0.110 0.000 0.988 247 M CB 1.754 34.211 32.600 -0.238 0.000 1.673 247 M HN 0.645 nan 8.290 nan 0.000 0.441 248 A N 3.219 126.073 122.820 0.056 0.000 2.301 248 A HA 0.491 4.814 4.320 0.006 0.000 0.312 248 A C -0.492 177.073 177.584 -0.031 0.000 1.182 248 A CA -0.461 51.576 52.037 0.001 0.000 0.826 248 A CB 0.779 19.769 19.000 -0.018 0.000 1.134 248 A HN 0.973 nan 8.150 nan 0.000 0.501 249 D N 0.689 121.056 120.400 -0.055 0.000 3.093 249 D HA 0.020 4.664 4.640 0.006 0.000 0.206 249 D C 1.224 177.494 176.300 -0.050 0.000 1.512 249 D CA 0.421 54.398 54.000 -0.038 0.000 1.420 249 D CB -0.151 40.639 40.800 -0.017 0.000 1.166 249 D HN 0.405 nan 8.370 nan 0.000 0.285 250 E N 0.272 120.443 120.200 -0.048 0.000 2.265 250 E HA 0.000 4.354 4.350 0.006 0.000 0.196 250 E C 1.904 178.475 176.600 -0.048 0.000 0.996 250 E CA 0.756 57.132 56.400 -0.041 0.000 0.832 250 E CB -0.075 29.590 29.700 -0.058 0.000 0.756 250 E HN 0.096 nan 8.360 nan 0.000 0.491 251 S N -0.056 115.604 115.700 -0.068 0.000 2.474 251 S HA 0.016 4.490 4.470 0.006 0.000 0.235 251 S C 0.727 175.272 174.600 -0.092 0.000 0.997 251 S CA 0.436 58.594 58.200 -0.071 0.000 0.949 251 S CB -0.018 63.135 63.200 -0.079 0.000 0.766 251 S HN 0.186 nan 8.310 nan 0.000 0.517 252 I N 1.767 122.265 120.570 -0.120 0.000 2.306 252 I HA 0.225 4.399 4.170 0.006 0.000 0.288 252 I C 0.493 176.587 176.117 -0.038 0.000 1.036 252 I CA 0.071 61.291 61.300 -0.132 0.000 1.221 252 I CB 1.049 38.913 38.000 -0.226 0.000 1.385 252 I HN 0.068 nan 8.210 nan 0.000 0.472 253 E N 4.187 124.394 120.200 0.011 0.000 2.693 253 E HA 0.167 4.521 4.350 0.006 0.000 0.214 253 E C -0.494 176.152 176.600 0.076 0.000 0.990 253 E CA -0.159 56.292 56.400 0.084 0.000 1.047 253 E CB 0.813 30.615 29.700 0.171 0.000 1.039 253 E HN 0.741 nan 8.360 nan 0.000 0.475 254 S N -2.444 113.274 115.700 0.030 0.000 2.645 254 S HA 0.107 4.580 4.470 0.006 0.000 0.268 254 S C 0.492 175.103 174.600 0.019 0.000 1.110 254 S CA -0.772 57.446 58.200 0.030 0.000 0.823 254 S CB 0.976 64.199 63.200 0.038 0.000 1.091 254 S HN -0.149 nan 8.310 nan 0.000 0.466 255 V N 1.364 121.297 119.914 0.032 0.000 2.515 255 V HA -0.091 4.033 4.120 0.006 0.000 0.250 255 V C 2.397 178.540 176.094 0.083 0.000 1.058 255 V CA 2.458 64.790 62.300 0.052 0.000 1.064 255 V CB -1.173 30.682 31.823 0.052 0.000 0.675 255 V HN 0.914 nan 8.190 nan 0.000 0.461 256 E N -0.052 120.192 120.200 0.073 0.000 2.204 256 E HA -0.168 4.186 4.350 0.006 0.000 0.194 256 E C 1.868 178.551 176.600 0.138 0.000 0.989 256 E CA 1.037 57.504 56.400 0.111 0.000 0.824 256 E CB -0.259 29.482 29.700 0.068 0.000 0.756 256 E HN 0.540 nan 8.360 nan 0.000 0.477 257 D N 0.099 120.538 120.400 0.065 0.000 2.144 257 D HA -0.078 4.566 4.640 0.006 0.000 0.200 257 D C 1.857 178.145 176.300 -0.020 0.000 0.978 257 D CA 1.315 55.327 54.000 0.020 0.000 0.833 257 D CB -0.263 40.523 40.800 -0.024 0.000 0.961 257 D HN 0.201 nan 8.370 nan 0.000 0.470 258 A N 0.425 123.222 122.820 -0.038 0.000 1.908 258 A HA -0.190 4.134 4.320 0.006 0.000 0.218 258 A C 2.122 179.812 177.584 0.177 0.000 1.181 258 A CA 1.114 53.104 52.037 -0.079 0.000 0.627 258 A CB -1.018 17.990 19.000 0.014 0.000 0.818 258 A HN 0.274 nan 8.150 nan 0.000 0.445 259 F N 0.816 120.824 119.950 0.096 0.000 2.102 259 F HA -0.151 4.381 4.527 0.008 0.000 0.298 259 F C 2.698 178.558 175.800 0.100 0.000 1.105 259 F CA 1.846 59.911 58.000 0.108 0.000 1.239 259 F CB -0.638 38.403 39.000 0.067 0.000 0.991 259 F HN 0.225 nan 8.300 nan 0.000 0.474 260 S N 0.461 116.168 115.700 0.013 0.000 2.359 260 S HA -0.216 4.258 4.470 0.006 0.000 0.223 260 S C 2.147 176.695 174.600 -0.087 0.000 1.039 260 S CA 1.899 60.069 58.200 -0.050 0.000 1.042 260 S CB -0.663 62.576 63.200 0.066 0.000 0.915 260 S HN 0.451 nan 8.310 nan 0.000 0.439 261 L N 0.896 122.113 121.223 -0.010 0.000 2.083 261 L HA -0.062 4.282 4.340 0.006 0.000 0.209 261 L C 2.856 179.795 176.870 0.115 0.000 1.083 261 L CA 1.163 56.039 54.840 0.060 0.000 0.752 261 L CB -0.622 41.474 42.059 0.061 0.000 0.899 261 L HN 0.402 nan 8.230 nan 0.000 0.433 262 A N 0.060 122.955 122.820 0.125 0.000 1.873 262 A HA -0.119 4.205 4.320 0.006 0.000 0.215 262 A C 2.544 180.040 177.584 -0.148 0.000 1.186 262 A CA 1.573 53.616 52.037 0.010 0.000 0.616 262 A CB -0.774 18.221 19.000 -0.008 0.000 0.823 262 A HN 0.362 nan 8.150 nan 0.000 0.442 263 A N -0.317 122.302 122.820 -0.335 0.000 1.972 263 A HA -0.173 4.150 4.320 0.006 0.000 0.219 263 A C 1.696 179.192 177.584 -0.148 0.000 1.169 263 A CA 2.012 53.855 52.037 -0.323 0.000 0.635 263 A CB -0.500 18.178 19.000 -0.537 0.000 0.810 263 A HN 0.439 nan 8.150 nan 0.000 0.446 264 D N -1.385 118.953 120.400 -0.104 0.000 2.289 264 D HA 0.219 4.863 4.640 0.006 0.000 0.207 264 D C 1.340 177.625 176.300 -0.026 0.000 0.966 264 D CA 1.245 55.218 54.000 -0.046 0.000 0.868 264 D CB -0.127 40.659 40.800 -0.024 0.000 0.943 264 D HN 0.595 nan 8.370 nan 0.000 0.514 265 G N 0.375 109.162 108.800 -0.022 0.000 2.248 265 G HA2 -0.219 3.744 3.960 0.006 0.000 0.263 265 G HA3 -0.219 3.744 3.960 0.006 0.000 0.263 265 G C 0.933 175.840 174.900 0.012 0.000 1.082 265 G CA 0.472 45.565 45.100 -0.011 0.000 0.863 265 G HN 0.448 nan 8.290 nan 0.000 0.495 266 A N -1.319 121.525 122.820 0.041 0.000 2.208 266 A HA 0.795 5.119 4.320 0.006 0.000 0.209 266 A C 1.353 178.978 177.584 0.069 0.000 1.161 266 A CA 1.682 53.748 52.037 0.049 0.000 0.782 266 A CB 0.160 19.189 19.000 0.048 0.000 0.816 266 A HN 2.399 nan 8.150 nan 0.000 0.477 267 A N -1.350 121.527 122.820 0.095 0.000 2.594 267 A HA 0.540 4.863 4.320 0.006 0.000 0.296 267 A C 0.439 178.031 177.584 0.013 0.000 1.056 267 A CA 0.312 52.402 52.037 0.087 0.000 0.693 267 A CB 0.003 19.124 19.000 0.201 0.000 1.278 267 A HN 0.770 nan 8.150 nan 0.000 0.408 268 S N 0.005 115.688 115.700 -0.028 0.000 2.556 268 S HA 0.487 4.961 4.470 0.006 0.000 0.216 268 S C 0.277 174.830 174.600 -0.077 0.000 0.970 268 S CA 0.337 58.499 58.200 -0.064 0.000 0.912 268 S CB -0.534 62.649 63.200 -0.028 0.000 0.790 268 S HN 0.614 nan 8.310 nan 0.000 0.504 269 I N 1.071 121.607 120.570 -0.056 0.000 2.722 269 I HA 0.505 4.679 4.170 0.006 0.000 0.295 269 I C -1.488 174.745 176.117 0.193 0.000 1.161 269 I CA -0.893 60.401 61.300 -0.010 0.000 1.032 269 I CB 2.082 40.007 38.000 -0.125 0.000 1.244 269 I HN -0.034 nan 8.210 nan 0.000 0.421 270 F N 3.062 123.029 119.950 0.028 0.000 2.495 270 F HA 0.691 5.219 4.527 0.002 0.000 0.327 270 F C 0.469 176.309 175.800 0.066 0.000 1.103 270 F CA -1.521 56.496 58.000 0.030 0.000 0.949 270 F CB 2.049 41.072 39.000 0.037 0.000 1.142 270 F HN 0.437 nan 8.300 nan 0.000 0.457 271 A N 4.858 127.821 122.820 0.239 0.000 2.331 271 A HA 0.694 5.018 4.320 0.006 0.000 0.283 271 A C -0.733 176.931 177.584 0.133 0.000 1.142 271 A CA -0.494 51.679 52.037 0.227 0.000 0.812 271 A CB 0.236 19.357 19.000 0.201 0.000 1.074 271 A HN 0.720 nan 8.150 nan 0.000 0.497 272 L N 2.876 124.145 121.223 0.077 0.000 2.280 272 L HA 0.430 4.773 4.340 0.006 0.000 0.287 272 L C -0.103 176.860 176.870 0.155 0.000 1.023 272 L CA -0.164 54.731 54.840 0.092 0.000 0.819 272 L CB 1.123 43.213 42.059 0.052 0.000 1.212 272 L HN 0.674 nan 8.230 nan 0.000 0.420 273 K N 3.909 124.374 120.400 0.109 0.000 2.463 273 K HA 0.331 4.654 4.320 0.006 0.000 0.255 273 K C 1.027 177.622 176.600 -0.008 0.000 0.942 273 K CA -0.562 55.762 56.287 0.061 0.000 0.814 273 K CB 2.756 35.242 32.500 -0.023 0.000 1.122 273 K HN 0.590 nan 8.250 nan 0.000 0.425 274 I N -0.274 120.278 120.570 -0.031 0.000 2.286 274 I HA -0.214 3.960 4.170 0.006 0.000 0.248 274 I C 1.870 177.876 176.117 -0.185 0.000 1.115 274 I CA 1.556 62.801 61.300 -0.091 0.000 1.392 274 I CB -0.218 37.710 38.000 -0.119 0.000 1.065 274 I HN 0.559 nan 8.210 nan 0.000 0.418 275 A N 1.405 124.032 122.820 -0.322 0.000 1.969 275 A HA -0.097 4.227 4.320 0.006 0.000 0.218 275 A C 2.251 179.377 177.584 -0.763 0.000 1.169 275 A CA 1.302 52.923 52.037 -0.694 0.000 0.635 275 A CB -0.382 17.958 19.000 -1.099 0.000 0.810 275 A HN 0.364 nan 8.150 nan 0.000 0.445 276 K N -0.501 119.643 120.400 -0.427 0.000 2.365 276 K HA 0.055 4.378 4.320 0.006 0.000 0.197 276 K C 0.709 177.268 176.600 -0.069 0.000 1.042 276 K CA 1.005 57.183 56.287 -0.182 0.000 0.987 276 K CB -0.195 32.257 32.500 -0.081 0.000 0.779 276 K HN 0.585 nan 8.250 nan 0.000 0.484 277 N N -1.018 117.635 118.700 -0.079 0.000 2.463 277 N HA 0.040 4.784 4.740 0.006 0.000 0.183 277 N C 0.717 176.216 175.510 -0.019 0.000 1.064 277 N CA 0.801 53.836 53.050 -0.024 0.000 0.879 277 N CB 1.289 39.775 38.487 -0.002 0.000 1.148 277 N HN 0.224 nan 8.380 nan 0.000 0.451 278 G N -0.958 107.814 108.800 -0.047 0.000 2.173 278 G HA2 0.281 4.245 3.960 0.006 0.000 0.142 278 G HA3 0.281 4.245 3.960 0.006 0.000 0.142 278 G C 0.248 175.130 174.900 -0.031 0.000 1.019 278 G CA -0.217 44.868 45.100 -0.025 0.000 0.699 278 G HN 0.692 nan 8.290 nan 0.000 0.495 279 G N -1.267 107.503 108.800 -0.051 0.000 2.355 279 G HA2 0.408 4.372 3.960 0.006 0.000 0.619 279 G HA3 0.408 4.372 3.960 0.006 0.000 0.619 279 G C -1.611 173.260 174.900 -0.049 0.000 1.337 279 G CA 0.190 45.259 45.100 -0.051 0.000 0.993 279 G HN 0.217 nan 8.290 nan 0.000 0.599 280 P HA -0.085 nan 4.420 nan 0.000 0.216 280 P C 1.977 179.261 177.300 -0.026 0.000 1.153 280 P CA 1.636 64.694 63.100 -0.069 0.000 0.858 280 P CB 0.011 31.662 31.700 -0.082 0.000 0.789 281 R N -0.688 119.802 120.500 -0.016 0.000 2.092 281 R HA 0.021 4.365 4.340 0.006 0.000 0.231 281 R C 2.323 178.633 176.300 0.016 0.000 1.119 281 R CA 1.364 57.466 56.100 0.003 0.000 0.970 281 R CB -1.013 29.287 30.300 -0.001 0.000 0.864 281 R HN 0.138 nan 8.270 nan 0.000 0.440 282 A N 0.644 123.470 122.820 0.010 0.000 1.930 282 A HA -0.106 4.218 4.320 0.006 0.000 0.217 282 A C 2.263 179.871 177.584 0.040 0.000 1.175 282 A CA 1.187 53.236 52.037 0.020 0.000 0.627 282 A CB -0.589 18.415 19.000 0.007 0.000 0.815 282 A HN 0.185 nan 8.150 nan 0.000 0.443 283 V N 0.104 120.044 119.914 0.044 0.000 2.626 283 V HA -0.162 3.961 4.120 0.006 0.000 0.252 283 V C 2.282 178.449 176.094 0.121 0.000 1.067 283 V CA 1.691 64.046 62.300 0.092 0.000 1.081 283 V CB -0.398 31.498 31.823 0.123 0.000 0.686 283 V HN 0.592 nan 8.190 nan 0.000 0.468 284 L N -0.833 120.446 121.223 0.093 0.000 2.156 284 L HA -0.097 4.246 4.340 0.006 0.000 0.208 284 L C 2.713 179.636 176.870 0.088 0.000 1.095 284 L CA 1.314 56.212 54.840 0.096 0.000 0.770 284 L CB -0.553 41.548 42.059 0.070 0.000 0.914 284 L HN 0.260 nan 8.230 nan 0.000 0.439 285 R N -0.581 119.964 120.500 0.075 0.000 2.066 285 R HA -0.111 4.232 4.340 0.006 0.000 0.232 285 R C 2.295 178.658 176.300 0.106 0.000 1.131 285 R CA 1.794 57.940 56.100 0.075 0.000 0.955 285 R CB -0.597 29.738 30.300 0.058 0.000 0.851 285 R HN 0.246 nan 8.270 nan 0.000 0.432 286 T N 0.906 115.530 114.554 0.117 0.000 2.746 286 T HA -0.146 4.208 4.350 0.006 0.000 0.267 286 T C 1.896 176.716 174.700 0.201 0.000 1.039 286 T CA 1.487 63.682 62.100 0.159 0.000 1.142 286 T CB -0.198 68.748 68.868 0.130 0.000 0.866 286 T HN 0.392 nan 8.240 nan 0.000 0.444 287 A N 1.036 123.955 122.820 0.164 0.000 1.930 287 A HA -0.119 4.204 4.320 0.006 0.000 0.217 287 A C 2.243 179.894 177.584 0.112 0.000 1.175 287 A CA 1.391 53.516 52.037 0.146 0.000 0.627 287 A CB -0.547 18.531 19.000 0.131 0.000 0.815 287 A HN 0.530 nan 8.150 nan 0.000 0.443 288 Q N -0.514 119.349 119.800 0.105 0.000 2.119 288 Q HA -0.048 4.296 4.340 0.006 0.000 0.201 288 Q C 1.942 177.999 176.000 0.094 0.000 0.972 288 Q CA 1.406 57.259 55.803 0.084 0.000 0.847 288 Q CB -0.274 28.508 28.738 0.073 0.000 0.903 288 Q HN 0.735 nan 8.270 nan 0.000 0.433 289 I N 0.397 121.048 120.570 0.134 0.000 2.226 289 I HA -0.278 3.895 4.170 0.006 0.000 0.245 289 I C 2.346 178.535 176.117 0.120 0.000 1.100 289 I CA 0.937 62.338 61.300 0.169 0.000 1.374 289 I CB -0.343 37.808 38.000 0.253 0.000 1.057 289 I HN 0.183 nan 8.210 nan 0.000 0.413 290 A N 0.156 123.038 122.820 0.103 0.000 1.902 290 A HA -0.193 4.131 4.320 0.006 0.000 0.217 290 A C 2.266 179.810 177.584 -0.066 0.000 1.181 290 A CA 1.394 53.391 52.037 -0.068 0.000 0.623 290 A CB -0.436 18.502 19.000 -0.103 0.000 0.818 290 A HN 0.329 nan 8.150 nan 0.000 0.443 291 E N -0.162 120.035 120.200 -0.005 0.000 2.077 291 E HA -0.151 4.202 4.350 0.006 0.000 0.193 291 E C 2.257 178.856 176.600 -0.001 0.000 0.989 291 E CA 1.210 57.608 56.400 -0.004 0.000 0.800 291 E CB -0.373 29.337 29.700 0.017 0.000 0.746 291 E HN 0.572 nan 8.360 nan 0.000 0.452 292 A N 0.640 123.472 122.820 0.020 0.000 2.121 292 A HA 0.051 4.374 4.320 0.006 0.000 0.218 292 A C 2.119 179.710 177.584 0.012 0.000 1.154 292 A CA 1.471 53.525 52.037 0.028 0.000 0.679 292 A CB -0.071 18.963 19.000 0.058 0.000 0.795 292 A HN 0.221 nan 8.150 nan 0.000 0.458 293 A N -2.272 120.540 122.820 -0.014 0.000 2.252 293 A HA 0.457 4.781 4.320 0.006 0.000 0.213 293 A C 1.627 179.173 177.584 -0.064 0.000 1.188 293 A CA 1.080 53.092 52.037 -0.042 0.000 0.863 293 A CB -0.361 18.596 19.000 -0.071 0.000 0.893 293 A HN 1.777 nan 8.150 nan 0.000 0.495 294 G N -0.532 108.229 108.800 -0.066 0.000 2.132 294 G HA2 -0.182 3.782 3.960 0.006 0.000 0.228 294 G HA3 -0.182 3.782 3.960 0.006 0.000 0.228 294 G C -0.027 174.817 174.900 -0.093 0.000 1.000 294 G CA 0.157 45.219 45.100 -0.063 0.000 0.693 294 G HN 0.411 nan 8.290 nan 0.000 0.515 295 I N 1.557 122.029 120.570 -0.163 0.000 2.365 295 I HA 0.493 4.667 4.170 0.006 0.000 0.291 295 I C 1.417 177.442 176.117 -0.154 0.000 1.004 295 I CA -0.204 60.947 61.300 -0.248 0.000 1.311 295 I CB 1.324 38.969 38.000 -0.592 0.000 1.401 295 I HN 0.160 nan 8.210 nan 0.000 0.491 296 G N 6.638 115.413 108.800 -0.042 0.000 2.544 296 G HA2 0.460 4.423 3.960 0.006 0.000 0.242 296 G HA3 0.460 4.423 3.960 0.006 0.000 0.242 296 G C -0.468 174.504 174.900 0.119 0.000 1.247 296 G CA -0.447 44.708 45.100 0.091 0.000 0.840 296 G HN 0.456 nan 8.290 nan 0.000 0.578 297 L N 0.124 121.438 121.223 0.152 0.000 2.322 297 L HA 0.606 4.950 4.340 0.006 0.000 0.269 297 L C -0.908 176.115 176.870 0.255 0.000 1.012 297 L CA -1.119 53.812 54.840 0.152 0.000 0.815 297 L CB 2.226 44.311 42.059 0.043 0.000 1.295 297 L HN 0.575 nan 8.230 nan 0.000 0.438 298 Y N -0.092 120.210 120.300 0.002 0.000 2.442 298 Y HA 0.556 5.110 4.550 0.006 0.000 0.330 298 Y C -0.097 175.667 175.900 -0.227 0.000 1.100 298 Y CA -0.927 57.155 58.100 -0.031 0.000 1.034 298 Y CB 2.001 40.494 38.460 0.055 0.000 1.285 298 Y HN 0.523 nan 8.280 nan 0.000 0.440 299 G N 3.407 111.724 108.800 -0.806 0.000 2.391 299 G HA2 0.467 4.430 3.960 0.006 0.000 0.305 299 G HA3 0.467 4.430 3.960 0.006 0.000 0.305 299 G C 0.128 174.635 174.900 -0.656 0.000 1.072 299 G CA 0.103 44.575 45.100 -1.048 0.000 1.016 299 G HN 0.969 nan 8.290 nan 0.000 0.418 300 G N 0.258 108.890 108.800 -0.280 0.000 2.535 300 G HA2 0.642 4.606 3.960 0.006 0.000 0.303 300 G HA3 0.642 4.606 3.960 0.006 0.000 0.303 300 G C -0.482 174.427 174.900 0.016 0.000 1.237 300 G CA -0.286 44.758 45.100 -0.094 0.000 0.986 300 G HN 0.741 nan 8.290 nan 0.000 0.494 301 T N -1.065 113.474 114.554 -0.026 0.000 2.843 301 T HA 0.445 4.798 4.350 0.006 0.000 0.302 301 T C -0.228 174.416 174.700 -0.092 0.000 1.232 301 T CA -0.659 61.399 62.100 -0.071 0.000 1.009 301 T CB 1.476 70.244 68.868 -0.167 0.000 1.254 301 T HN 0.185 nan 8.240 nan 0.000 0.504 302 M N 3.486 123.030 119.600 -0.093 0.000 2.778 302 M HA 0.398 4.882 4.480 0.006 0.000 0.359 302 M C 0.312 176.551 176.300 -0.102 0.000 1.216 302 M CA 0.027 55.287 55.300 -0.066 0.000 0.935 302 M CB -0.916 31.699 32.600 0.026 0.000 1.330 302 M HN 0.692 nan 8.290 nan 0.000 0.516 303 L N 0.493 121.605 121.223 -0.185 0.000 3.608 303 L HA -0.262 4.081 4.340 0.006 0.000 0.422 303 L C -0.176 176.618 176.870 -0.127 0.000 1.260 303 L CA 0.348 55.058 54.840 -0.216 0.000 0.889 303 L CB -1.754 40.188 42.059 -0.196 0.000 1.821 303 L HN 0.348 nan 8.230 nan 0.000 0.884 304 E N 0.029 120.168 120.200 -0.102 0.000 2.392 304 E HA 0.451 4.805 4.350 0.006 0.000 0.256 304 E C 1.020 177.597 176.600 -0.039 0.000 1.145 304 E CA 0.636 57.005 56.400 -0.052 0.000 0.929 304 E CB 0.577 30.251 29.700 -0.042 0.000 0.998 304 E HN 0.290 nan 8.360 nan 0.000 0.442 305 G N -0.187 108.604 108.800 -0.015 0.000 2.489 305 G HA2 0.018 3.981 3.960 0.006 0.000 0.271 305 G HA3 0.018 3.981 3.960 0.006 0.000 0.271 305 G C 0.651 175.564 174.900 0.022 0.000 1.427 305 G CA -0.250 44.852 45.100 0.005 0.000 1.057 305 G HN 0.451 nan 8.290 nan 0.000 0.532 306 S N -0.700 115.023 115.700 0.039 0.000 2.399 306 S HA -0.094 4.380 4.470 0.006 0.000 0.231 306 S C 2.353 176.969 174.600 0.026 0.000 1.022 306 S CA 0.888 59.116 58.200 0.048 0.000 0.983 306 S CB -0.310 62.925 63.200 0.059 0.000 0.803 306 S HN 0.428 nan 8.310 nan 0.000 0.480 307 I N 1.482 122.061 120.570 0.014 0.000 2.142 307 I HA -0.126 4.047 4.170 0.006 0.000 0.240 307 I C 2.764 178.871 176.117 -0.016 0.000 1.078 307 I CA 1.334 62.634 61.300 -0.001 0.000 1.343 307 I CB -0.923 37.075 38.000 -0.002 0.000 1.046 307 I HN 0.368 nan 8.210 nan 0.000 0.405 308 G N -0.038 108.751 108.800 -0.018 0.000 2.422 308 G HA2 -0.182 3.782 3.960 0.006 0.000 0.218 308 G HA3 -0.182 3.782 3.960 0.006 0.000 0.218 308 G C 1.663 176.532 174.900 -0.052 0.000 1.140 308 G CA 1.223 46.300 45.100 -0.039 0.000 0.775 308 G HN 0.280 nan 8.290 nan 0.000 0.545 309 T N 1.453 115.992 114.554 -0.026 0.000 2.708 309 T HA -0.013 4.340 4.350 0.006 0.000 0.266 309 T C 2.280 176.963 174.700 -0.028 0.000 1.037 309 T CA 0.540 62.631 62.100 -0.016 0.000 1.146 309 T CB -0.124 68.765 68.868 0.036 0.000 0.865 309 T HN -0.004 nan 8.240 nan 0.000 0.435 310 L N 0.910 122.135 121.223 0.004 0.000 2.141 310 L HA 0.062 4.406 4.340 0.006 0.000 0.209 310 L C 2.929 179.854 176.870 0.092 0.000 1.094 310 L CA 1.445 56.324 54.840 0.065 0.000 0.763 310 L CB -1.541 40.579 42.059 0.101 0.000 0.908 310 L HN 0.254 nan 8.230 nan 0.000 0.437 311 A N -0.754 122.052 122.820 -0.023 0.000 1.933 311 A HA -0.162 4.162 4.320 0.006 0.000 0.218 311 A C 2.550 180.028 177.584 -0.176 0.000 1.175 311 A CA 1.904 53.891 52.037 -0.083 0.000 0.628 311 A CB -0.390 18.553 19.000 -0.095 0.000 0.814 311 A HN 0.429 nan 8.150 nan 0.000 0.444 312 S N -0.084 115.456 115.700 -0.266 0.000 2.355 312 S HA 0.022 4.496 4.470 0.006 0.000 0.222 312 S C 2.372 176.431 174.600 -0.901 0.000 1.031 312 S CA 1.067 58.893 58.200 -0.624 0.000 0.993 312 S CB -0.543 62.382 63.200 -0.457 0.000 0.859 312 S HN 0.798 nan 8.310 nan 0.000 0.453 313 A N 1.426 123.998 122.820 -0.414 0.000 1.908 313 A HA -0.212 4.111 4.320 0.006 0.000 0.218 313 A C 1.781 179.230 177.584 -0.225 0.000 1.181 313 A CA 2.000 53.890 52.037 -0.244 0.000 0.627 313 A CB -1.032 17.890 19.000 -0.130 0.000 0.818 313 A HN 0.572 nan 8.150 nan 0.000 0.445 314 H N -0.754 118.198 119.070 -0.198 0.000 2.456 314 H HA 0.081 4.641 4.556 0.006 0.000 0.296 314 H C 2.325 177.579 175.328 -0.123 0.000 1.079 314 H CA 1.493 57.466 56.048 -0.126 0.000 1.322 314 H CB -0.025 29.674 29.762 -0.106 0.000 1.388 314 H HN 0.545 nan 8.280 nan 0.000 0.538 315 A N -0.000 122.747 122.820 -0.121 0.000 1.903 315 A HA -0.048 4.275 4.320 0.006 0.000 0.213 315 A C 1.478 179.091 177.584 0.049 0.000 1.185 315 A CA 0.749 52.735 52.037 -0.086 0.000 0.628 315 A CB -0.416 18.473 19.000 -0.185 0.000 0.830 315 A HN 0.273 nan 8.150 nan 0.000 0.446 316 F N 0.480 120.427 119.950 -0.005 0.000 2.365 316 F HA 0.019 4.550 4.527 0.006 0.000 0.300 316 F C 1.852 177.634 175.800 -0.030 0.000 1.090 316 F CA 0.044 58.032 58.000 -0.019 0.000 1.408 316 F CB -0.972 38.006 39.000 -0.036 0.000 1.060 316 F HN 0.099 nan 8.300 nan 0.000 0.534 317 L N -0.210 121.075 121.223 0.104 0.000 2.275 317 L HA -0.143 4.200 4.340 0.006 0.000 0.215 317 L C 2.372 179.265 176.870 0.038 0.000 1.119 317 L CA 1.601 56.460 54.840 0.032 0.000 0.790 317 L CB -1.035 40.996 42.059 -0.047 0.000 0.919 317 L HN 0.243 nan 8.230 nan 0.000 0.443 318 T N -3.027 111.562 114.554 0.059 0.000 3.067 318 T HA 0.053 4.407 4.350 0.006 0.000 0.261 318 T C 0.756 175.489 174.700 0.054 0.000 1.110 318 T CA -0.192 61.938 62.100 0.050 0.000 1.113 318 T CB -0.096 68.802 68.868 0.051 0.000 0.917 318 T HN -0.122 nan 8.240 nan 0.000 0.499 319 L N 2.570 123.838 121.223 0.075 0.000 2.453 319 L HA 0.384 4.728 4.340 0.006 0.000 0.272 319 L C 1.761 178.648 176.870 0.029 0.000 1.182 319 L CA -0.122 54.754 54.840 0.060 0.000 0.858 319 L CB 0.440 42.543 42.059 0.073 0.000 1.120 319 L HN 0.196 nan 8.230 nan 0.000 0.474 320 R N 2.023 122.534 120.500 0.019 0.000 2.083 320 R HA -0.109 4.235 4.340 0.006 0.000 0.237 320 R C 0.288 176.582 176.300 -0.010 0.000 1.137 320 R CA 1.436 57.538 56.100 0.003 0.000 0.951 320 R CB 0.265 30.566 30.300 0.001 0.000 0.851 320 R HN 0.753 nan 8.270 nan 0.000 0.434 321 Q N -0.607 119.185 119.800 -0.014 0.000 2.320 321 Q HA 0.316 4.660 4.340 0.006 0.000 0.272 321 Q C -2.001 173.976 176.000 -0.038 0.000 1.023 321 Q CA -0.543 55.239 55.803 -0.035 0.000 0.855 321 Q CB 1.946 30.654 28.738 -0.050 0.000 1.367 321 Q HN 0.214 nan 8.270 nan 0.000 0.406 322 L N 3.538 124.728 121.223 -0.054 0.000 2.457 322 L HA 0.304 4.647 4.340 0.006 0.000 0.252 322 L C 0.886 177.710 176.870 -0.078 0.000 1.132 322 L CA -0.098 54.712 54.840 -0.049 0.000 0.938 322 L CB 1.396 43.411 42.059 -0.073 0.000 1.246 322 L HN 0.819 nan 8.230 nan 0.000 0.476 323 T N -0.148 114.323 114.554 -0.140 0.000 2.685 323 T HA -0.225 4.128 4.350 0.006 0.000 0.268 323 T C 0.784 175.131 174.700 -0.589 0.000 1.034 323 T CA 2.092 63.944 62.100 -0.414 0.000 1.149 323 T CB -0.180 68.359 68.868 -0.548 0.000 0.860 323 T HN 0.553 nan 8.240 nan 0.000 0.449 324 W N 1.236 122.569 121.300 0.057 0.000 3.102 324 W HA 0.514 5.177 4.660 0.005 0.000 0.401 324 W C 1.400 178.059 176.519 0.233 0.000 1.070 324 W CA -0.118 57.292 57.345 0.109 0.000 1.921 324 W CB -0.327 29.167 29.460 0.056 0.000 1.118 324 W HN 0.552 nan 8.180 nan 0.000 0.647 325 G N 1.203 110.137 108.800 0.224 0.000 2.562 325 G HA2 -0.122 3.842 3.960 0.006 0.000 0.250 325 G HA3 -0.122 3.842 3.960 0.006 0.000 0.250 325 G C 0.075 174.969 174.900 -0.011 0.000 1.269 325 G CA 0.272 45.448 45.100 0.127 0.000 0.919 325 G HN 0.430 nan 8.290 nan 0.000 0.574 326 T N -2.887 111.611 114.554 -0.093 0.000 2.804 326 T HA 0.738 5.091 4.350 0.006 0.000 0.290 326 T C 0.040 174.649 174.700 -0.151 0.000 1.099 326 T CA 0.492 62.378 62.100 -0.356 0.000 1.011 326 T CB 2.043 70.837 68.868 -0.123 0.000 1.291 326 T HN 1.644 nan 8.240 nan 0.000 0.523 327 E N 0.886 121.013 120.200 -0.121 0.000 3.575 327 E HA 0.288 4.641 4.350 0.006 0.000 0.201 327 E C -0.329 176.426 176.600 0.257 0.000 0.999 327 E CA -0.521 56.040 56.400 0.270 0.000 1.315 327 E CB -0.122 29.791 29.700 0.355 0.000 1.146 327 E HN 0.516 nan 8.360 nan 0.000 0.453 328 L N 2.328 123.687 121.223 0.226 0.000 2.437 328 L HA 0.226 4.569 4.340 0.006 0.000 0.243 328 L C 0.022 177.101 176.870 0.348 0.000 1.346 328 L CA -0.245 54.699 54.840 0.174 0.000 1.233 328 L CB -0.853 41.313 42.059 0.179 0.000 1.436 328 L HN 0.422 nan 8.230 nan 0.000 0.416 329 F N -2.687 117.397 119.950 0.223 0.000 2.661 329 F HA 0.430 4.961 4.527 0.005 0.000 0.306 329 F C 1.698 177.584 175.800 0.143 0.000 1.094 329 F CA -0.504 57.627 58.000 0.219 0.000 1.254 329 F CB -0.588 38.574 39.000 0.269 0.000 1.040 329 F HN 0.117 nan 8.300 nan 0.000 0.562 330 G N 2.308 110.946 108.800 -0.269 0.000 2.556 330 G HA2 -0.253 3.711 3.960 0.006 0.000 0.220 330 G HA3 -0.253 3.711 3.960 0.006 0.000 0.220 330 G C -0.680 174.226 174.900 0.010 0.000 1.156 330 G CA 1.293 46.278 45.100 -0.193 0.000 0.766 330 G HN 0.318 nan 8.290 nan 0.000 0.583 331 P HA -0.004 nan 4.420 nan 0.000 0.220 331 P C 1.826 179.198 177.300 0.120 0.000 1.148 331 P CA 0.584 63.758 63.100 0.124 0.000 0.803 331 P CB -0.110 31.718 31.700 0.214 0.000 0.782 332 L N -2.077 119.222 121.223 0.127 0.000 2.456 332 L HA -0.100 4.244 4.340 0.006 0.000 0.224 332 L C 1.414 178.422 176.870 0.229 0.000 1.148 332 L CA 0.602 55.522 54.840 0.134 0.000 0.825 332 L CB -0.556 41.577 42.059 0.123 0.000 0.937 332 L HN 0.007 nan 8.230 nan 0.000 0.450 333 L N -0.859 120.486 121.223 0.203 0.000 2.477 333 L HA 0.163 4.506 4.340 0.006 0.000 0.220 333 L C 0.656 177.575 176.870 0.081 0.000 1.106 333 L CA 0.668 55.607 54.840 0.164 0.000 0.851 333 L CB -0.376 41.749 42.059 0.110 0.000 0.994 333 L HN 0.077 nan 8.230 nan 0.000 0.462 334 L N -0.517 120.738 121.223 0.053 0.000 2.312 334 L HA 0.254 4.598 4.340 0.006 0.000 0.281 334 L C 1.613 178.488 176.870 0.009 0.000 1.070 334 L CA -0.143 54.699 54.840 0.004 0.000 0.805 334 L CB 1.305 43.351 42.059 -0.021 0.000 1.174 334 L HN 0.122 nan 8.230 nan 0.000 0.434 335 T N -2.030 112.513 114.554 -0.018 0.000 2.978 335 T HA 0.130 4.484 4.350 0.006 0.000 0.262 335 T C 0.588 175.282 174.700 -0.011 0.000 1.063 335 T CA 0.312 62.411 62.100 -0.001 0.000 1.140 335 T CB 0.212 69.082 68.868 0.003 0.000 0.886 335 T HN 0.459 nan 8.240 nan 0.000 0.470 336 E N 0.782 120.935 120.200 -0.080 0.000 2.256 336 E HA 0.679 5.032 4.350 0.006 0.000 0.267 336 E C -1.087 175.457 176.600 -0.093 0.000 0.892 336 E CA -0.503 55.850 56.400 -0.077 0.000 0.775 336 E CB 2.733 32.308 29.700 -0.209 0.000 1.207 336 E HN 0.328 nan 8.360 nan 0.000 0.420 337 E N 0.549 120.751 120.200 0.003 0.000 2.378 337 E HA 0.362 4.716 4.350 0.006 0.000 0.265 337 E C -0.072 176.574 176.600 0.076 0.000 0.932 337 E CA -0.466 55.946 56.400 0.020 0.000 0.795 337 E CB 1.154 30.880 29.700 0.044 0.000 1.296 337 E HN 0.466 nan 8.360 nan 0.000 0.438 338 I N -0.103 120.508 120.570 0.070 0.000 4.025 338 I HA 0.318 4.492 4.170 0.006 0.000 0.336 338 I C -0.166 175.993 176.117 0.070 0.000 1.390 338 I CA -0.477 60.881 61.300 0.097 0.000 1.099 338 I CB 0.485 38.544 38.000 0.099 0.000 1.049 338 I HN 0.166 nan 8.210 nan 0.000 0.394 339 V N -2.146 117.803 119.914 0.058 0.000 2.994 339 V HA 0.601 4.725 4.120 0.006 0.000 0.318 339 V C 0.590 176.712 176.094 0.048 0.000 1.085 339 V CA -0.513 61.814 62.300 0.046 0.000 0.998 339 V CB 1.532 33.378 31.823 0.038 0.000 1.063 339 V HN 0.097 nan 8.190 nan 0.000 0.447 340 N N 0.284 119.008 118.700 0.039 0.000 2.395 340 N HA 0.038 4.782 4.740 0.006 0.000 0.175 340 N C -0.040 175.492 175.510 0.036 0.000 1.029 340 N CA 0.587 53.659 53.050 0.037 0.000 0.897 340 N CB 0.177 38.682 38.487 0.029 0.000 0.991 340 N HN 0.813 nan 8.380 nan 0.000 0.441 341 E N 2.069 122.289 120.200 0.035 0.000 2.089 341 E HA 0.230 4.584 4.350 0.006 0.000 0.284 341 E C -2.224 174.402 176.600 0.044 0.000 1.023 341 E CA -1.702 54.719 56.400 0.034 0.000 0.819 341 E CB 1.051 30.768 29.700 0.028 0.000 1.076 341 E HN 0.212 nan 8.360 nan 0.000 0.396 342 P HA 0.236 nan 4.420 nan 0.000 0.279 342 P C -2.439 174.900 177.300 0.066 0.000 1.239 342 P CA -1.491 61.651 63.100 0.069 0.000 0.789 342 P CB 0.526 32.268 31.700 0.070 0.000 0.933 343 P HA 0.242 nan 4.420 nan 0.000 0.275 343 P C -0.682 176.621 177.300 0.004 0.000 1.228 343 P CA -0.097 63.016 63.100 0.022 0.000 0.786 343 P CB 0.391 32.123 31.700 0.053 0.000 0.927 344 Q N 1.578 121.317 119.800 -0.102 0.000 2.406 344 Q HA 0.293 4.637 4.340 0.006 0.000 0.242 344 Q C -1.067 174.871 176.000 -0.103 0.000 1.036 344 Q CA -0.030 55.744 55.803 -0.049 0.000 0.904 344 Q CB 0.249 28.968 28.738 -0.032 0.000 1.244 344 Q HN 0.433 nan 8.270 nan 0.000 0.478 345 Y N 2.097 122.442 120.300 0.074 0.000 2.353 345 Y HA 0.466 5.019 4.550 0.006 0.000 0.340 345 Y C 0.169 176.071 175.900 0.003 0.000 0.972 345 Y CA -0.586 57.548 58.100 0.055 0.000 1.157 345 Y CB 1.161 39.619 38.460 -0.003 0.000 1.157 345 Y HN 0.438 nan 8.280 nan 0.000 0.495 346 R N 2.662 123.267 120.500 0.175 0.000 2.561 346 R HA 0.229 4.573 4.340 0.006 0.000 0.266 346 R C -1.632 174.713 176.300 0.076 0.000 1.091 346 R CA -0.542 55.578 56.100 0.033 0.000 0.927 346 R CB 1.203 31.445 30.300 -0.096 0.000 1.240 346 R HN 0.722 nan 8.270 nan 0.000 0.449 347 D N 4.988 125.286 120.400 -0.169 0.000 2.737 347 D HA -0.209 4.435 4.640 0.006 0.000 0.238 347 D C -0.341 175.880 176.300 -0.132 0.000 1.157 347 D CA 1.768 55.598 54.000 -0.282 0.000 0.694 347 D CB -0.821 39.947 40.800 -0.055 0.000 1.021 347 D HN 0.661 nan 8.370 nan 0.000 0.420 348 F N -2.866 117.064 119.950 -0.033 0.000 2.871 348 F HA -0.342 4.189 4.527 0.006 0.000 0.326 348 F C 1.130 176.921 175.800 -0.014 0.000 0.675 348 F CA 1.312 59.279 58.000 -0.054 0.000 1.188 348 F CB -1.821 37.158 39.000 -0.034 0.000 1.567 348 F HN 0.291 nan 8.300 nan 0.000 0.325 349 Q N -0.378 119.483 119.800 0.102 0.000 2.484 349 Q HA 0.743 5.086 4.340 0.006 0.000 0.285 349 Q C -1.124 174.781 176.000 -0.158 0.000 1.097 349 Q CA -1.463 54.313 55.803 -0.045 0.000 0.802 349 Q CB 2.766 31.365 28.738 -0.231 0.000 1.444 349 Q HN 0.129 nan 8.270 nan 0.000 0.429 350 L N 1.311 122.374 121.223 -0.266 0.000 2.295 350 L HA 0.361 4.704 4.340 0.006 0.000 0.285 350 L C -1.192 175.389 176.870 -0.482 0.000 1.035 350 L CA -0.015 54.578 54.840 -0.411 0.000 0.806 350 L CB 0.785 42.646 42.059 -0.330 0.000 1.214 350 L HN 0.532 nan 8.230 nan 0.000 0.426 351 H N 6.334 125.271 119.070 -0.222 0.000 2.459 351 H HA 0.454 5.014 4.556 0.006 0.000 0.332 351 H C -0.742 174.496 175.328 -0.150 0.000 1.094 351 H CA -0.758 55.202 56.048 -0.146 0.000 1.224 351 H CB 1.890 31.586 29.762 -0.111 0.000 1.449 351 H HN 0.423 nan 8.280 nan 0.000 0.484 352 I N 5.564 126.098 120.570 -0.059 0.000 2.362 352 I HA 0.197 4.371 4.170 0.006 0.000 0.289 352 I C -2.006 174.074 176.117 -0.062 0.000 0.994 352 I CA -2.416 58.817 61.300 -0.112 0.000 1.158 352 I CB 1.240 39.082 38.000 -0.264 0.000 1.315 352 I HN 0.336 nan 8.210 nan 0.000 0.451 353 P HA 0.327 nan 4.420 nan 0.000 0.274 353 P C -0.303 177.010 177.300 0.022 0.000 1.256 353 P CA -0.569 62.534 63.100 0.004 0.000 0.795 353 P CB 0.979 32.688 31.700 0.016 0.000 1.038 354 R N -0.372 120.143 120.500 0.025 0.000 2.893 354 R HA 0.210 4.553 4.340 0.006 0.000 0.317 354 R C 0.400 176.724 176.300 0.041 0.000 1.239 354 R CA -0.151 55.971 56.100 0.036 0.000 1.128 354 R CB -0.499 29.813 30.300 0.020 0.000 1.377 354 R HN 0.547 nan 8.270 nan 0.000 0.583 355 T N -1.872 112.713 114.554 0.052 0.000 2.899 355 T HA 0.387 4.741 4.350 0.006 0.000 0.284 355 T C -2.351 172.369 174.700 0.033 0.000 1.004 355 T CA -2.340 59.781 62.100 0.035 0.000 1.043 355 T CB 1.603 70.490 68.868 0.030 0.000 1.013 355 T HN -0.155 nan 8.240 nan 0.000 0.518 356 P HA 0.363 nan 4.420 nan 0.000 0.269 356 P C 1.114 178.393 177.300 -0.036 0.000 1.209 356 P CA 1.164 64.259 63.100 -0.008 0.000 0.776 356 P CB 0.038 31.732 31.700 -0.010 0.000 0.876 357 G N 1.612 110.369 108.800 -0.072 0.000 2.547 357 G HA2 -0.304 3.659 3.960 0.006 0.000 0.271 357 G HA3 -0.304 3.659 3.960 0.006 0.000 0.271 357 G C 0.651 175.403 174.900 -0.246 0.000 1.209 357 G CA 0.131 45.152 45.100 -0.132 0.000 0.959 357 G HN 0.484 nan 8.290 nan 0.000 0.563 358 L N 1.967 123.055 121.223 -0.225 0.000 2.554 358 L HA 0.362 4.706 4.340 0.006 0.000 0.226 358 L C 2.352 179.196 176.870 -0.044 0.000 1.137 358 L CA 0.989 55.675 54.840 -0.256 0.000 0.863 358 L CB -0.454 41.512 42.059 -0.154 0.000 0.985 358 L HN 2.042 nan 8.230 nan 0.000 0.451 359 G N 0.830 109.613 108.800 -0.028 0.000 2.160 359 G HA2 -0.273 3.691 3.960 0.006 0.000 0.251 359 G HA3 -0.273 3.691 3.960 0.006 0.000 0.251 359 G C -0.060 174.850 174.900 0.016 0.000 1.008 359 G CA 0.144 45.255 45.100 0.017 0.000 0.724 359 G HN 0.264 nan 8.290 nan 0.000 0.514 360 L N 0.082 121.307 121.223 0.003 0.000 2.341 360 L HA 0.882 5.226 4.340 0.006 0.000 0.267 360 L C 0.410 177.283 176.870 0.004 0.000 1.009 360 L CA -0.521 54.324 54.840 0.009 0.000 0.819 360 L CB 2.542 44.608 42.059 0.012 0.000 1.323 360 L HN 0.326 nan 8.230 nan 0.000 0.425 361 T N -0.931 113.630 114.554 0.012 0.000 2.900 361 T HA 0.635 4.988 4.350 0.006 0.000 0.295 361 T C -0.533 174.178 174.700 0.018 0.000 1.044 361 T CA -0.816 61.291 62.100 0.011 0.000 0.995 361 T CB 1.351 70.225 68.868 0.011 0.000 1.072 361 T HN 0.320 nan 8.240 nan 0.000 0.473 362 L N 2.011 123.245 121.223 0.018 0.000 2.439 362 L HA 0.372 4.715 4.340 0.006 0.000 0.269 362 L C 0.330 177.218 176.870 0.029 0.000 1.179 362 L CA -0.503 54.353 54.840 0.027 0.000 0.828 362 L CB 0.473 42.546 42.059 0.025 0.000 1.106 362 L HN 0.753 nan 8.230 nan 0.000 0.467 363 D N 2.140 122.564 120.400 0.040 0.000 2.467 363 D HA 0.047 4.690 4.640 0.006 0.000 0.220 363 D C 0.891 177.214 176.300 0.039 0.000 1.103 363 D CA -0.244 53.781 54.000 0.041 0.000 0.886 363 D CB 0.892 41.726 40.800 0.058 0.000 1.025 363 D HN 0.395 nan 8.370 nan 0.000 0.514 364 E N 2.557 122.772 120.200 0.025 0.000 2.160 364 E HA -0.230 4.124 4.350 0.006 0.000 0.195 364 E C 1.290 177.896 176.600 0.009 0.000 0.991 364 E CA 1.202 57.612 56.400 0.017 0.000 0.810 364 E CB 0.237 29.943 29.700 0.010 0.000 0.742 364 E HN 0.657 nan 8.360 nan 0.000 0.466 365 Q N 0.095 119.899 119.800 0.006 0.000 2.049 365 Q HA 0.010 4.354 4.340 0.006 0.000 0.198 365 Q C 2.253 178.234 176.000 -0.033 0.000 0.971 365 Q CA 0.881 56.675 55.803 -0.015 0.000 0.833 365 Q CB -0.010 28.720 28.738 -0.014 0.000 0.896 365 Q HN 0.111 nan 8.270 nan 0.000 0.434 366 R N 0.011 120.519 120.500 0.014 0.000 2.115 366 R HA -0.083 4.260 4.340 0.006 0.000 0.226 366 R C 2.171 178.530 176.300 0.099 0.000 1.100 366 R CA 0.686 56.816 56.100 0.049 0.000 0.980 366 R CB -0.276 30.142 30.300 0.197 0.000 0.875 366 R HN 0.188 nan 8.270 nan 0.000 0.445 367 L N 0.796 122.072 121.223 0.089 0.000 1.994 367 L HA -0.102 4.242 4.340 0.006 0.000 0.208 367 L C 2.235 179.134 176.870 0.049 0.000 1.071 367 L CA 2.044 56.941 54.840 0.095 0.000 0.745 367 L CB -0.635 41.461 42.059 0.062 0.000 0.892 367 L HN 0.086 nan 8.230 nan 0.000 0.431 368 A N -0.664 122.155 122.820 -0.002 0.000 2.019 368 A HA -0.221 4.102 4.320 0.006 0.000 0.219 368 A C 2.529 180.065 177.584 -0.081 0.000 1.164 368 A CA 1.674 53.695 52.037 -0.028 0.000 0.644 368 A CB -0.656 18.324 19.000 -0.032 0.000 0.805 368 A HN 0.530 nan 8.150 nan 0.000 0.449 369 R N -1.913 118.480 120.500 -0.178 0.000 2.090 369 R HA -0.024 4.319 4.340 0.006 0.000 0.228 369 R C 0.837 176.861 176.300 -0.461 0.000 1.110 369 R CA 1.386 57.255 56.100 -0.386 0.000 0.973 369 R CB -0.155 29.776 30.300 -0.614 0.000 0.869 369 R HN 0.469 nan 8.270 nan 0.000 0.440 370 F N 0.169 120.126 119.950 0.013 0.000 2.721 370 F HA 0.401 4.932 4.527 0.006 0.000 0.301 370 F C 0.713 176.521 175.800 0.013 0.000 1.096 370 F CA -0.397 57.611 58.000 0.014 0.000 1.308 370 F CB 0.175 39.185 39.000 0.016 0.000 1.086 370 F HN -0.052 nan 8.300 nan 0.000 0.587 371 A N 1.944 124.845 122.820 0.134 0.000 2.450 371 A HA 0.447 4.771 4.320 0.006 0.000 0.255 371 A C 0.763 178.386 177.584 0.065 0.000 1.096 371 A CA -0.514 51.576 52.037 0.088 0.000 0.778 371 A CB 0.050 19.083 19.000 0.054 0.000 1.031 371 A HN 0.470 nan 8.150 nan 0.000 0.494 372 R N 0.000 120.536 120.500 0.061 0.000 2.786 372 R HA 0.000 4.344 4.340 0.006 0.000 0.208 372 R CA 0.000 56.127 56.100 0.046 0.000 0.921 372 R CB 0.000 30.327 30.300 0.046 0.000 0.687 372 R HN 0.000 nan 8.270 nan 0.000 0.535