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 3dzv_1_B DATA FIRST_RESID 2 DATA SEQUENCE KTSVKFETIF PLTTAPLIQC ITNEITCESX ANALLYIDAK PIXADDPREF DATA SEQUENCE PQXFQQTSAL VLNLGHLSQE REQSLLAASD YARQVNKLTV VDLVGYGASD DATA SEQUENCE IRNEVGEKLV HNQPTVVKGN LSEXRTFCQL VSHXXXXXXX PLDQSEEAIE DATA SEQUENCE ELIQALRQQT QKFPQTVFLA TGIQDVLVSQ EQVIVLQNGV PELDCFTGTG DATA SEQUENCE DLVGALVAAL LGEGNAPXTA AVAAVSYFNL CGEKAKTKSQ GLADFRQNTL DATA SEQUENCE NQLSLLXKEK DWFEAVKGRV L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.625 176.600 0.042 0.000 0.988 2 K CA 0.000 56.317 56.287 0.050 0.000 0.838 2 K CB 0.000 32.521 32.500 0.034 0.000 1.064 3 T N -0.528 114.044 114.554 0.030 0.000 2.923 3 T HA 0.527 4.877 4.350 -0.000 0.000 0.311 3 T C 0.895 175.563 174.700 -0.053 0.000 1.183 3 T CA 0.621 62.718 62.100 -0.004 0.000 1.020 3 T CB 1.897 70.771 68.868 0.011 0.000 1.165 3 T HN 0.948 nan 8.240 nan 0.000 0.482 4 S N 2.336 117.990 115.700 -0.076 0.000 2.387 4 S HA 0.053 4.523 4.470 -0.000 0.000 0.226 4 S C 0.847 175.342 174.600 -0.175 0.000 1.026 4 S CA 0.650 58.791 58.200 -0.099 0.000 0.972 4 S CB -0.220 62.934 63.200 -0.078 0.000 0.814 4 S HN 0.650 nan 8.310 nan 0.000 0.477 5 V N 3.205 122.961 119.914 -0.262 0.000 2.479 5 V HA 0.153 4.273 4.120 -0.000 0.000 0.284 5 V C 0.928 176.668 176.094 -0.591 0.000 0.981 5 V CA 0.807 62.832 62.300 -0.458 0.000 1.139 5 V CB -0.641 30.786 31.823 -0.659 0.000 0.947 5 V HN 0.537 nan 8.190 nan 0.000 0.468 6 K N 5.690 125.848 120.400 -0.404 0.000 2.480 6 K HA 0.205 4.525 4.320 -0.000 0.000 0.241 6 K C 0.723 177.101 176.600 -0.371 0.000 1.261 6 K CA -0.199 55.889 56.287 -0.331 0.000 1.193 6 K CB -1.118 31.259 32.500 -0.206 0.000 1.598 6 K HN 0.553 nan 8.250 nan 0.000 0.278 7 F N 1.563 121.256 119.950 -0.428 0.000 2.141 7 F HA -0.260 4.267 4.527 -0.000 0.000 0.300 7 F C 2.995 178.366 175.800 -0.714 0.000 1.079 7 F CA 2.332 59.976 58.000 -0.594 0.000 1.264 7 F CB -0.889 37.526 39.000 -0.976 0.000 1.011 7 F HN 0.632 nan 8.300 nan 0.000 0.487 8 E N -0.001 119.764 120.200 -0.725 0.000 2.114 8 E HA -0.278 4.072 4.350 -0.000 0.000 0.199 8 E C 1.925 178.494 176.600 -0.052 0.000 1.008 8 E CA 2.104 58.250 56.400 -0.423 0.000 0.810 8 E CB -1.609 27.970 29.700 -0.202 0.000 0.739 8 E HN 0.516 nan 8.360 nan 0.000 0.456 9 T N -2.311 112.192 114.554 -0.084 0.000 3.069 9 T HA 0.260 4.610 4.350 -0.000 0.000 0.252 9 T C 1.730 176.397 174.700 -0.054 0.000 1.053 9 T CA 0.252 62.333 62.100 -0.032 0.000 0.964 9 T CB 0.136 68.968 68.868 -0.060 0.000 1.005 9 T HN 0.268 nan 8.240 nan 0.000 0.532 10 I N 0.870 121.390 120.570 -0.083 0.000 2.142 10 I HA 0.120 4.290 4.170 -0.000 0.000 0.240 10 I C 0.550 176.427 176.117 -0.400 0.000 1.078 10 I CA 0.913 62.042 61.300 -0.285 0.000 1.343 10 I CB -0.799 36.977 38.000 -0.373 0.000 1.046 10 I HN 0.237 nan 8.210 nan 0.000 0.405 11 F N 1.764 121.778 119.950 0.107 0.000 2.458 11 F HA 0.466 4.993 4.527 -0.000 0.000 0.330 11 F C -1.662 174.180 175.800 0.071 0.000 1.082 11 F CA -2.560 55.459 58.000 0.030 0.000 0.995 11 F CB 0.052 39.009 39.000 -0.071 0.000 1.170 11 F HN -0.059 nan 8.300 nan 0.000 0.478 12 P HA 0.349 nan 4.420 nan 0.000 0.282 12 P C -1.016 176.386 177.300 0.170 0.000 1.259 12 P CA -0.487 62.764 63.100 0.251 0.000 0.826 12 P CB 1.173 32.952 31.700 0.132 0.000 1.064 13 L N 1.495 122.826 121.223 0.180 0.000 2.416 13 L HA 0.141 4.481 4.340 -0.000 0.000 0.272 13 L C 1.692 178.594 176.870 0.054 0.000 1.161 13 L CA 0.146 55.034 54.840 0.080 0.000 0.845 13 L CB 0.364 42.471 42.059 0.081 0.000 1.119 13 L HN 0.599 nan 8.230 nan 0.000 0.464 14 T N -4.407 110.163 114.554 0.027 0.000 2.971 14 T HA -0.044 4.306 4.350 -0.000 0.000 0.252 14 T C 1.328 176.035 174.700 0.011 0.000 1.022 14 T CA 0.443 62.556 62.100 0.021 0.000 0.980 14 T CB 0.061 68.939 68.868 0.017 0.000 1.044 14 T HN 0.691 nan 8.240 nan 0.000 0.501 15 T N -0.367 114.189 114.554 0.003 0.000 3.107 15 T HA 0.552 4.902 4.350 -0.000 0.000 0.249 15 T C 1.322 176.020 174.700 -0.002 0.000 1.096 15 T CA 0.382 62.480 62.100 -0.003 0.000 1.012 15 T CB -0.620 68.241 68.868 -0.012 0.000 0.977 15 T HN 1.117 nan 8.240 nan 0.000 0.527 16 A N 2.473 125.296 122.820 0.005 0.000 2.560 16 A HA -0.067 4.253 4.320 -0.000 0.000 0.299 16 A C -1.773 175.807 177.584 -0.007 0.000 1.484 16 A CA 0.176 52.216 52.037 0.004 0.000 0.749 16 A CB -2.050 16.953 19.000 0.005 0.000 1.072 16 A HN 0.600 nan 8.150 nan 0.000 0.426 17 P HA 0.355 nan 4.420 nan 0.000 0.271 17 P C -0.211 177.070 177.300 -0.032 0.000 1.216 17 P CA -0.285 62.800 63.100 -0.025 0.000 0.771 17 P CB 0.902 32.583 31.700 -0.030 0.000 0.864 18 L N 5.304 126.502 121.223 -0.041 0.000 2.278 18 L HA 0.281 4.621 4.340 -0.000 0.000 0.287 18 L C -0.469 176.356 176.870 -0.076 0.000 1.072 18 L CA -0.154 54.656 54.840 -0.050 0.000 0.819 18 L CB -0.556 41.475 42.059 -0.046 0.000 1.176 18 L HN 0.205 nan 8.230 nan 0.000 0.435 19 I N 5.368 125.893 120.570 -0.074 0.000 2.382 19 I HA 0.292 4.462 4.170 -0.000 0.000 0.285 19 I C 0.036 176.091 176.117 -0.103 0.000 1.007 19 I CA -0.320 60.925 61.300 -0.092 0.000 1.142 19 I CB 1.340 39.298 38.000 -0.070 0.000 1.289 19 I HN 0.658 nan 8.210 nan 0.000 0.453 20 Q N 5.343 125.054 119.800 -0.149 0.000 2.274 20 Q HA 0.329 4.669 4.340 -0.000 0.000 0.256 20 Q C -1.228 174.698 176.000 -0.124 0.000 0.927 20 Q CA -0.319 55.394 55.803 -0.149 0.000 0.939 20 Q CB 1.174 29.767 28.738 -0.242 0.000 1.201 20 Q HN 0.707 nan 8.270 nan 0.000 0.426 21 C N 6.316 125.570 119.300 -0.077 0.000 2.271 21 C HA 0.463 4.923 4.460 -0.000 0.000 0.323 21 C C 0.166 175.140 174.990 -0.026 0.000 1.245 21 C CA -0.820 58.164 59.018 -0.056 0.000 1.548 21 C CB -0.634 27.078 27.740 -0.046 0.000 2.214 21 C HN 0.766 nan 8.230 nan 0.000 0.477 22 I N 3.609 124.165 120.570 -0.023 0.000 2.276 22 I HA 0.273 4.443 4.170 -0.000 0.000 0.290 22 I C 0.636 176.764 176.117 0.018 0.000 1.109 22 I CA 0.792 62.105 61.300 0.020 0.000 1.229 22 I CB 0.199 38.221 38.000 0.037 0.000 1.452 22 I HN 0.649 nan 8.210 nan 0.000 0.497 23 T N 3.846 118.411 114.554 0.019 0.000 2.864 23 T HA 0.374 4.724 4.350 -0.000 0.000 0.289 23 T C -0.549 174.164 174.700 0.021 0.000 1.082 23 T CA -0.781 61.326 62.100 0.011 0.000 1.009 23 T CB 1.488 70.350 68.868 -0.010 0.000 1.234 23 T HN 0.669 nan 8.240 nan 0.000 0.526 24 N N 0.401 119.111 118.700 0.018 0.000 2.467 24 N HA 0.182 4.922 4.740 -0.000 0.000 0.262 24 N C 0.850 176.333 175.510 -0.046 0.000 1.234 24 N CA -0.228 52.830 53.050 0.013 0.000 0.952 24 N CB 0.388 38.896 38.487 0.034 0.000 1.158 24 N HN 0.803 nan 8.380 nan 0.000 0.463 25 E N 0.645 120.770 120.200 -0.124 0.000 2.482 25 E HA -0.090 4.260 4.350 -0.000 0.000 0.196 25 E C 0.747 177.265 176.600 -0.138 0.000 1.047 25 E CA 0.308 56.623 56.400 -0.141 0.000 0.869 25 E CB -0.163 29.417 29.700 -0.201 0.000 0.836 25 E HN 0.554 nan 8.360 nan 0.000 0.520 26 I N 2.251 122.740 120.570 -0.136 0.000 2.235 26 I HA -0.133 4.037 4.170 -0.000 0.000 0.241 26 I C 2.429 178.528 176.117 -0.030 0.000 1.085 26 I CA 1.770 63.021 61.300 -0.081 0.000 1.378 26 I CB -1.429 36.541 38.000 -0.050 0.000 1.076 26 I HN 0.271 nan 8.210 nan 0.000 0.415 27 T N -2.056 112.487 114.554 -0.019 0.000 3.092 27 T HA 0.041 4.391 4.350 -0.000 0.000 0.258 27 T C 1.790 176.487 174.700 -0.005 0.000 1.031 27 T CA 0.275 62.378 62.100 0.006 0.000 0.925 27 T CB -1.041 67.836 68.868 0.016 0.000 1.036 27 T HN 0.446 nan 8.240 nan 0.000 0.544 28 C N 0.512 119.799 119.300 -0.021 0.000 2.435 28 C HA 0.078 4.538 4.460 -0.000 0.000 0.279 28 C C 2.391 177.362 174.990 -0.031 0.000 1.321 28 C CA 0.752 59.754 59.018 -0.026 0.000 1.752 28 C CB -1.300 26.423 27.740 -0.028 0.000 1.959 28 C HN 0.654 nan 8.230 nan 0.000 0.500 29 E N 1.715 121.899 120.200 -0.026 0.000 2.051 29 E HA -0.077 4.273 4.350 -0.000 0.000 0.192 29 E C 1.235 177.806 176.600 -0.050 0.000 0.991 29 E CA 1.076 57.456 56.400 -0.034 0.000 0.799 29 E CB 0.045 29.732 29.700 -0.021 0.000 0.748 29 E HN 0.686 nan 8.360 nan 0.000 0.449 33 N N 1.566 120.081 118.700 -0.309 0.000 2.084 33 N HA -0.101 4.639 4.740 -0.000 0.000 0.190 33 N C 1.964 176.907 175.510 -0.945 0.000 1.030 33 N CA 1.913 54.534 53.050 -0.716 0.000 0.849 33 N CB -0.528 37.544 38.487 -0.693 0.000 1.012 33 N HN 0.644 nan 8.380 nan 0.000 0.423 34 A N 1.537 124.102 122.820 -0.426 0.000 1.892 34 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 34 A C 2.455 179.992 177.584 -0.079 0.000 1.188 34 A CA 1.171 53.131 52.037 -0.128 0.000 0.631 34 A CB -0.890 18.138 19.000 0.046 0.000 0.822 34 A HN 0.234 nan 8.150 nan 0.000 0.447 35 L N -0.906 120.255 121.223 -0.103 0.000 2.017 35 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 35 L C 2.608 179.454 176.870 -0.041 0.000 1.073 35 L CA 1.166 55.978 54.840 -0.045 0.000 0.745 35 L CB -0.439 41.589 42.059 -0.052 0.000 0.894 35 L HN 0.386 nan 8.230 nan 0.000 0.432 36 L N -1.681 119.473 121.223 -0.116 0.000 2.083 36 L HA -0.241 4.099 4.340 -0.000 0.000 0.209 36 L C 2.511 179.434 176.870 0.088 0.000 1.083 36 L CA 0.968 55.780 54.840 -0.047 0.000 0.752 36 L CB -0.538 41.466 42.059 -0.092 0.000 0.899 36 L HN 0.245 nan 8.230 nan 0.000 0.433 37 Y N 0.148 120.447 120.300 -0.002 0.000 2.483 37 Y HA -0.118 4.432 4.550 -0.000 0.000 0.291 37 Y C 2.023 177.905 175.900 -0.030 0.000 1.143 37 Y CA 0.399 58.489 58.100 -0.017 0.000 1.289 37 Y CB -0.665 37.786 38.460 -0.016 0.000 0.983 37 Y HN 0.310 nan 8.280 nan 0.000 0.556 38 I N -4.040 116.606 120.570 0.126 0.000 3.927 38 I HA 0.275 4.445 4.170 -0.000 0.000 0.332 38 I C 0.026 176.185 176.117 0.070 0.000 1.485 38 I CA 0.048 61.377 61.300 0.047 0.000 1.131 38 I CB 0.117 38.150 38.000 0.056 0.000 1.092 38 I HN -0.139 nan 8.210 nan 0.000 0.410 39 D N 1.853 122.292 120.400 0.064 0.000 2.870 39 D HA -0.160 4.480 4.640 -0.000 0.000 0.228 39 D C 0.534 176.859 176.300 0.041 0.000 1.147 39 D CA 0.906 54.936 54.000 0.051 0.000 0.757 39 D CB -0.453 40.379 40.800 0.052 0.000 1.091 39 D HN 0.689 nan 8.370 nan 0.000 0.429 40 A N -0.151 122.689 122.820 0.034 0.000 2.252 40 A HA 0.552 4.872 4.320 -0.000 0.000 0.305 40 A C 0.193 177.775 177.584 -0.004 0.000 1.097 40 A CA -0.303 51.742 52.037 0.012 0.000 0.849 40 A CB 1.242 20.247 19.000 0.009 0.000 1.142 40 A HN 0.001 nan 8.150 nan 0.000 0.499 41 K N 2.124 122.515 120.400 -0.016 0.000 2.449 41 K HA 0.533 4.853 4.320 -0.000 0.000 0.257 41 K C -3.049 173.531 176.600 -0.034 0.000 0.989 41 K CA -1.545 54.729 56.287 -0.022 0.000 0.916 41 K CB 1.494 33.984 32.500 -0.016 0.000 1.136 41 K HN 0.720 nan 8.250 nan 0.000 0.439 42 P HA 0.510 nan 4.420 nan 0.000 0.284 42 P C -0.563 176.713 177.300 -0.040 0.000 1.253 42 P CA -0.580 62.492 63.100 -0.047 0.000 0.800 42 P CB 1.166 32.832 31.700 -0.057 0.000 0.961 46 D N 0.846 121.360 120.400 0.190 0.000 2.538 46 D HA 0.071 4.711 4.640 -0.000 0.000 0.241 46 D C -0.527 175.916 176.300 0.239 0.000 1.297 46 D CA 0.041 54.220 54.000 0.298 0.000 0.804 46 D CB 0.295 41.204 40.800 0.182 0.000 1.122 46 D HN 0.379 nan 8.370 nan 0.000 0.519 47 D N 1.945 122.389 120.400 0.074 0.000 2.339 47 D HA 0.107 4.747 4.640 -0.000 0.000 0.256 47 D C -1.477 174.464 176.300 -0.599 0.000 1.214 47 D CA -1.661 52.248 54.000 -0.152 0.000 0.877 47 D CB 2.138 42.877 40.800 -0.102 0.000 1.111 47 D HN -0.101 nan 8.370 nan 0.000 0.478 48 P HA -0.131 nan 4.420 nan 0.000 0.217 48 P C 1.079 177.794 177.300 -0.974 0.000 1.148 48 P CA 1.097 63.196 63.100 -1.670 0.000 0.828 48 P CB 0.219 31.445 31.700 -0.790 0.000 0.783 49 R N -0.242 119.956 120.500 -0.504 0.000 2.193 49 R HA -0.109 4.231 4.340 -0.000 0.000 0.229 49 R C 1.869 178.041 176.300 -0.214 0.000 1.110 49 R CA 0.999 56.923 56.100 -0.293 0.000 0.988 49 R CB -0.477 29.716 30.300 -0.179 0.000 0.871 49 R HN 0.416 nan 8.270 nan 0.000 0.458 50 E N -0.281 119.804 120.200 -0.191 0.000 2.435 50 E HA -0.051 4.299 4.350 -0.000 0.000 0.195 50 E C 1.200 177.885 176.600 0.142 0.000 1.029 50 E CA 0.179 56.579 56.400 0.000 0.000 0.865 50 E CB 0.103 29.851 29.700 0.081 0.000 0.833 50 E HN 0.201 nan 8.360 nan 0.000 0.510 51 F N 1.050 120.947 119.950 -0.089 0.000 2.095 51 F HA -0.096 4.431 4.527 -0.000 0.000 0.298 51 F C -0.523 175.204 175.800 -0.122 0.000 1.104 51 F CA 0.461 58.394 58.000 -0.111 0.000 1.232 51 F CB -2.174 36.475 39.000 -0.585 0.000 0.987 51 F HN 0.071 nan 8.300 nan 0.000 0.475 52 P HA -0.160 nan 4.420 nan 0.000 0.216 52 P C 0.538 177.954 177.300 0.193 0.000 1.153 52 P CA 1.398 64.544 63.100 0.077 0.000 0.858 52 P CB -0.032 31.680 31.700 0.019 0.000 0.789 56 Q N 0.358 120.305 119.800 0.245 0.000 2.224 56 Q HA -0.133 4.207 4.340 -0.000 0.000 0.203 56 Q C 1.382 177.424 176.000 0.072 0.000 0.970 56 Q CA 1.402 57.286 55.803 0.136 0.000 0.865 56 Q CB 0.030 28.839 28.738 0.119 0.000 0.922 56 Q HN 0.365 nan 8.270 nan 0.000 0.445 57 Q N -0.286 119.546 119.800 0.055 0.000 2.391 57 Q HA 0.033 4.373 4.340 -0.000 0.000 0.211 57 Q C 0.890 176.874 176.000 -0.026 0.000 0.908 57 Q CA 0.666 56.478 55.803 0.014 0.000 0.920 57 Q CB 0.381 29.130 28.738 0.018 0.000 1.056 57 Q HN 0.345 nan 8.270 nan 0.000 0.523 58 T N -1.676 112.836 114.554 -0.069 0.000 2.909 58 T HA 0.396 4.746 4.350 -0.000 0.000 0.289 58 T C 1.014 175.645 174.700 -0.116 0.000 1.005 58 T CA -0.378 61.644 62.100 -0.129 0.000 1.084 58 T CB 1.618 70.331 68.868 -0.259 0.000 0.975 58 T HN -0.118 nan 8.240 nan 0.000 0.509 59 S N 1.187 116.824 115.700 -0.104 0.000 2.456 59 S HA 0.524 4.994 4.470 -0.000 0.000 0.224 59 S C 0.862 175.400 174.600 -0.104 0.000 1.035 59 S CA 0.136 58.285 58.200 -0.085 0.000 0.940 59 S CB -0.067 63.095 63.200 -0.064 0.000 0.799 59 S HN 1.165 nan 8.310 nan 0.000 0.508 60 A N 0.391 123.131 122.820 -0.133 0.000 2.599 60 A HA 0.758 5.078 4.320 -0.000 0.000 0.290 60 A C -2.229 175.244 177.584 -0.186 0.000 1.101 60 A CA -0.609 51.343 52.037 -0.142 0.000 0.674 60 A CB 0.986 19.923 19.000 -0.104 0.000 1.277 60 A HN 0.179 nan 8.150 nan 0.000 0.419 61 L N 0.514 121.630 121.223 -0.178 0.000 2.410 61 L HA 0.749 5.089 4.340 -0.000 0.000 0.270 61 L C -1.290 175.500 176.870 -0.133 0.000 0.983 61 L CA -0.467 54.254 54.840 -0.198 0.000 0.822 61 L CB 2.067 43.983 42.059 -0.237 0.000 1.285 61 L HN 0.536 nan 8.230 nan 0.000 0.409 62 V N 6.142 125.986 119.914 -0.117 0.000 2.398 62 V HA 0.457 4.577 4.120 -0.000 0.000 0.286 62 V C -0.160 175.893 176.094 -0.070 0.000 1.026 62 V CA -0.458 61.789 62.300 -0.088 0.000 0.868 62 V CB 1.472 33.250 31.823 -0.075 0.000 0.982 62 V HN 0.572 nan 8.190 nan 0.000 0.443 63 L N 5.287 126.474 121.223 -0.061 0.000 2.337 63 L HA 0.478 4.818 4.340 -0.000 0.000 0.269 63 L C -0.002 176.849 176.870 -0.031 0.000 1.018 63 L CA -0.117 54.702 54.840 -0.035 0.000 0.876 63 L CB 0.944 42.985 42.059 -0.030 0.000 1.236 63 L HN 0.623 nan 8.230 nan 0.000 0.436 64 N N 2.761 121.452 118.700 -0.015 0.000 2.419 64 N HA 0.111 4.851 4.740 -0.000 0.000 0.277 64 N C 0.428 175.949 175.510 0.018 0.000 1.006 64 N CA -0.508 52.537 53.050 -0.009 0.000 0.923 64 N CB 2.060 40.540 38.487 -0.012 0.000 1.140 64 N HN 0.450 nan 8.380 nan 0.000 0.488 65 L N 3.674 124.911 121.223 0.023 0.000 2.552 65 L HA 0.278 4.618 4.340 -0.000 0.000 0.227 65 L C 1.144 178.047 176.870 0.055 0.000 1.146 65 L CA 0.287 55.155 54.840 0.045 0.000 0.858 65 L CB -0.779 41.317 42.059 0.062 0.000 0.969 65 L HN 0.605 nan 8.230 nan 0.000 0.451 66 G N -1.817 107.016 108.800 0.056 0.000 2.491 66 G HA2 0.132 4.092 3.960 -0.000 0.000 0.242 66 G HA3 0.132 4.092 3.960 -0.000 0.000 0.242 66 G C -0.398 174.588 174.900 0.143 0.000 1.266 66 G CA 0.089 45.238 45.100 0.081 0.000 0.844 66 G HN 0.575 nan 8.290 nan 0.000 0.571 67 H N -1.415 117.663 119.070 0.013 0.000 2.750 67 H HA -0.163 4.393 4.556 -0.000 0.000 0.327 67 H C 0.349 175.685 175.328 0.014 0.000 1.199 67 H CA 0.018 56.073 56.048 0.013 0.000 1.149 67 H CB -1.230 28.540 29.762 0.013 0.000 1.543 67 H HN 0.418 nan 8.280 nan 0.000 0.427 68 L N 1.343 122.539 121.223 -0.044 0.000 2.506 68 L HA 0.330 4.670 4.340 -0.000 0.000 0.281 68 L C 0.614 177.427 176.870 -0.095 0.000 1.228 68 L CA 1.550 56.367 54.840 -0.038 0.000 0.850 68 L CB 0.733 42.775 42.059 -0.029 0.000 1.110 68 L HN 0.655 nan 8.230 nan 0.000 0.496 69 S N 1.515 117.194 115.700 -0.036 0.000 2.643 69 S HA 0.353 4.823 4.470 -0.000 0.000 0.270 69 S C 0.308 174.905 174.600 -0.005 0.000 1.166 69 S CA -0.663 57.516 58.200 -0.035 0.000 0.815 69 S CB 0.900 64.088 63.200 -0.019 0.000 1.139 69 S HN 0.581 nan 8.310 nan 0.000 0.472 70 Q N 0.602 120.399 119.800 -0.005 0.000 2.045 70 Q HA -0.201 4.139 4.340 -0.000 0.000 0.206 70 Q C 1.876 177.883 176.000 0.012 0.000 0.991 70 Q CA 2.171 57.976 55.803 0.002 0.000 0.851 70 Q CB -0.282 28.455 28.738 -0.001 0.000 0.911 70 Q HN 0.826 nan 8.270 nan 0.000 0.418 71 E N 0.663 120.873 120.200 0.017 0.000 2.047 71 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 71 E C 2.074 178.698 176.600 0.041 0.000 0.987 71 E CA 0.746 57.160 56.400 0.024 0.000 0.799 71 E CB 0.133 29.848 29.700 0.026 0.000 0.752 71 E HN 0.248 nan 8.360 nan 0.000 0.449 72 R N 0.419 120.949 120.500 0.049 0.000 2.096 72 R HA -0.147 4.193 4.340 -0.000 0.000 0.235 72 R C 2.432 178.769 176.300 0.062 0.000 1.127 72 R CA 1.330 57.469 56.100 0.065 0.000 0.968 72 R CB -0.332 30.013 30.300 0.074 0.000 0.861 72 R HN 0.358 nan 8.270 nan 0.000 0.440 73 E N 0.774 121.001 120.200 0.045 0.000 2.031 73 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 73 E C 1.983 178.617 176.600 0.055 0.000 0.994 73 E CA 1.108 57.535 56.400 0.045 0.000 0.800 73 E CB 0.175 29.892 29.700 0.029 0.000 0.752 73 E HN 0.210 nan 8.360 nan 0.000 0.447 74 Q N 0.334 120.162 119.800 0.045 0.000 2.061 74 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 74 Q C 2.458 178.506 176.000 0.080 0.000 0.984 74 Q CA 1.717 57.547 55.803 0.044 0.000 0.846 74 Q CB -0.400 28.348 28.738 0.016 0.000 0.902 74 Q HN 0.226 nan 8.270 nan 0.000 0.421 75 S N 1.051 116.811 115.700 0.100 0.000 2.356 75 S HA -0.094 4.376 4.470 -0.000 0.000 0.223 75 S C 2.157 176.899 174.600 0.235 0.000 1.032 75 S CA 0.876 59.194 58.200 0.197 0.000 1.005 75 S CB -0.281 63.034 63.200 0.191 0.000 0.867 75 S HN 0.251 nan 8.310 nan 0.000 0.449 76 L N 0.944 122.255 121.223 0.147 0.000 2.017 76 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 76 L C 2.307 179.248 176.870 0.119 0.000 1.073 76 L CA 1.118 56.028 54.840 0.117 0.000 0.745 76 L CB -0.498 41.610 42.059 0.081 0.000 0.894 76 L HN 0.287 nan 8.230 nan 0.000 0.432 77 L N -0.816 120.474 121.223 0.110 0.000 2.056 77 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 77 L C 2.869 179.816 176.870 0.129 0.000 1.078 77 L CA 1.061 55.962 54.840 0.102 0.000 0.749 77 L CB -0.740 41.366 42.059 0.079 0.000 0.901 77 L HN 0.246 nan 8.230 nan 0.000 0.433 78 A N 0.250 123.168 122.820 0.164 0.000 1.865 78 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 78 A C 2.521 180.274 177.584 0.281 0.000 1.191 78 A CA 1.960 54.127 52.037 0.216 0.000 0.623 78 A CB -0.796 18.340 19.000 0.226 0.000 0.826 78 A HN 0.405 nan 8.150 nan 0.000 0.444 79 A N -1.003 122.000 122.820 0.306 0.000 1.933 79 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 79 A C 2.479 180.135 177.584 0.121 0.000 1.175 79 A CA 2.167 54.237 52.037 0.055 0.000 0.628 79 A CB -0.936 18.009 19.000 -0.093 0.000 0.814 79 A HN 0.592 nan 8.150 nan 0.000 0.444 80 S N -0.276 115.492 115.700 0.113 0.000 2.356 80 S HA -0.194 4.276 4.470 -0.000 0.000 0.223 80 S C 1.706 176.364 174.600 0.096 0.000 1.032 80 S CA 1.771 60.026 58.200 0.091 0.000 1.005 80 S CB -0.493 62.753 63.200 0.078 0.000 0.867 80 S HN 0.564 nan 8.310 nan 0.000 0.449 81 D N -0.371 120.097 120.400 0.112 0.000 2.097 81 D HA -0.073 4.567 4.640 -0.000 0.000 0.195 81 D C 1.635 177.992 176.300 0.094 0.000 0.989 81 D CA 1.157 55.219 54.000 0.104 0.000 0.827 81 D CB -0.554 40.313 40.800 0.112 0.000 0.966 81 D HN 0.520 nan 8.370 nan 0.000 0.456 82 Y N 1.532 121.795 120.300 -0.062 0.000 2.181 82 Y HA -0.143 4.407 4.550 -0.000 0.000 0.288 82 Y C 2.303 178.131 175.900 -0.119 0.000 1.146 82 Y CA 1.373 59.360 58.100 -0.187 0.000 1.164 82 Y CB -0.494 37.690 38.460 -0.461 0.000 0.982 82 Y HN -0.054 nan 8.280 nan 0.000 0.515 83 A N 0.135 123.021 122.820 0.109 0.000 1.917 83 A HA -0.279 4.041 4.320 -0.000 0.000 0.219 83 A C 2.236 179.837 177.584 0.028 0.000 1.182 83 A CA 2.152 54.298 52.037 0.182 0.000 0.633 83 A CB -0.711 18.401 19.000 0.186 0.000 0.819 83 A HN 0.437 nan 8.150 nan 0.000 0.448 84 R N -0.178 120.325 120.500 0.006 0.000 2.066 84 R HA -0.135 4.205 4.340 -0.000 0.000 0.232 84 R C 2.329 178.593 176.300 -0.060 0.000 1.131 84 R CA 2.146 58.235 56.100 -0.017 0.000 0.955 84 R CB -0.797 29.507 30.300 0.007 0.000 0.851 84 R HN 0.678 nan 8.270 nan 0.000 0.432 85 Q N -0.063 119.673 119.800 -0.108 0.000 2.096 85 Q HA -0.112 4.228 4.340 -0.000 0.000 0.204 85 Q C 1.430 177.316 176.000 -0.189 0.000 0.982 85 Q CA 2.161 57.871 55.803 -0.155 0.000 0.850 85 Q CB 0.097 28.706 28.738 -0.215 0.000 0.901 85 Q HN 0.384 nan 8.270 nan 0.000 0.422 86 V N -2.684 117.080 119.914 -0.250 0.000 3.542 86 V HA 0.186 4.306 4.120 -0.000 0.000 0.296 86 V C -0.041 176.008 176.094 -0.075 0.000 1.364 86 V CA 0.025 62.212 62.300 -0.187 0.000 1.118 86 V CB -0.182 31.485 31.823 -0.260 0.000 0.972 86 V HN 0.363 nan 8.190 nan 0.000 0.430 87 N N 1.171 119.837 118.700 -0.056 0.000 2.725 87 N HA -0.190 4.550 4.740 -0.000 0.000 0.251 87 N C 0.039 175.540 175.510 -0.014 0.000 1.031 87 N CA 1.217 54.248 53.050 -0.030 0.000 0.720 87 N CB -0.575 37.893 38.487 -0.032 0.000 0.930 87 N HN 0.694 nan 8.380 nan 0.000 0.543 88 K N 1.056 121.465 120.400 0.016 0.000 2.322 88 K HA 0.287 4.607 4.320 -0.000 0.000 0.283 88 K C 0.367 176.947 176.600 -0.033 0.000 1.042 88 K CA -0.274 56.017 56.287 0.007 0.000 0.958 88 K CB 0.481 33.023 32.500 0.070 0.000 0.984 88 K HN 0.200 nan 8.250 nan 0.000 0.473 89 L N 3.774 124.961 121.223 -0.060 0.000 2.559 89 L HA 0.108 4.448 4.340 -0.000 0.000 0.274 89 L C -0.013 176.805 176.870 -0.088 0.000 1.205 89 L CA 0.564 55.361 54.840 -0.073 0.000 0.907 89 L CB 0.356 42.369 42.059 -0.076 0.000 1.153 89 L HN 0.660 nan 8.230 nan 0.000 0.490 90 T N 2.705 117.206 114.554 -0.089 0.000 2.928 90 T HA 0.428 4.778 4.350 -0.000 0.000 0.296 90 T C -0.487 174.144 174.700 -0.116 0.000 1.000 90 T CA -0.461 61.582 62.100 -0.096 0.000 0.989 90 T CB 1.979 70.803 68.868 -0.073 0.000 1.005 90 T HN 0.145 nan 8.240 nan 0.000 0.442 91 V N 3.781 123.626 119.914 -0.115 0.000 2.370 91 V HA 0.439 4.559 4.120 -0.000 0.000 0.283 91 V C -0.048 175.970 176.094 -0.126 0.000 1.023 91 V CA -0.708 61.516 62.300 -0.128 0.000 0.857 91 V CB 1.573 33.331 31.823 -0.110 0.000 0.985 91 V HN 0.699 nan 8.190 nan 0.000 0.443 92 V N 4.102 123.921 119.914 -0.158 0.000 2.394 92 V HA 0.399 4.519 4.120 -0.000 0.000 0.282 92 V C -0.330 175.673 176.094 -0.153 0.000 1.031 92 V CA -0.314 61.897 62.300 -0.148 0.000 0.881 92 V CB 1.761 33.473 31.823 -0.186 0.000 0.982 92 V HN 0.880 nan 8.190 nan 0.000 0.451 93 D N 4.673 125.009 120.400 -0.107 0.000 2.440 93 D HA 0.322 4.962 4.640 -0.000 0.000 0.239 93 D C 0.076 176.340 176.300 -0.061 0.000 1.084 93 D CA -0.365 53.579 54.000 -0.092 0.000 0.843 93 D CB 1.518 42.275 40.800 -0.072 0.000 1.097 93 D HN 0.419 nan 8.370 nan 0.000 0.531 94 L N 4.015 125.195 121.223 -0.072 0.000 2.821 94 L HA 0.179 4.519 4.340 -0.000 0.000 0.239 94 L C 0.101 177.011 176.870 0.065 0.000 1.391 94 L CA -0.511 54.326 54.840 -0.005 0.000 1.231 94 L CB -0.078 41.925 42.059 -0.093 0.000 1.598 94 L HN 0.138 nan 8.230 nan 0.000 0.428 95 V N 1.119 121.057 119.914 0.040 0.000 2.509 95 V HA 0.119 4.239 4.120 -0.000 0.000 0.297 95 V C 1.490 177.627 176.094 0.071 0.000 1.014 95 V CA 0.878 63.204 62.300 0.044 0.000 1.127 95 V CB 0.134 31.973 31.823 0.026 0.000 0.925 95 V HN 0.878 nan 8.190 nan 0.000 0.480 96 G N 3.644 112.490 108.800 0.076 0.000 2.159 96 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.256 96 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.256 96 G C 0.033 174.982 174.900 0.082 0.000 0.977 96 G CA 0.222 45.361 45.100 0.065 0.000 0.652 96 G HN 0.937 nan 8.290 nan 0.000 0.531 97 Y N 0.857 121.174 120.300 0.028 0.000 2.810 97 Y HA 0.295 4.845 4.550 -0.000 0.000 0.332 97 Y C 1.703 177.634 175.900 0.052 0.000 1.243 97 Y CA 2.043 60.174 58.100 0.052 0.000 1.537 97 Y CB 0.558 39.064 38.460 0.077 0.000 1.265 97 Y HN 1.281 nan 8.280 nan 0.000 0.572 98 G N 2.676 111.280 108.800 -0.326 0.000 2.234 98 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.235 98 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.235 98 G C 1.095 175.938 174.900 -0.095 0.000 0.997 98 G CA 0.264 45.286 45.100 -0.129 0.000 0.623 98 G HN 1.273 nan 8.290 nan 0.000 0.514 99 A N -0.179 122.592 122.820 -0.080 0.000 1.969 99 A HA 0.543 4.863 4.320 -0.000 0.000 0.218 99 A C 1.533 179.077 177.584 -0.066 0.000 1.169 99 A CA 2.547 54.553 52.037 -0.050 0.000 0.635 99 A CB -0.261 18.722 19.000 -0.028 0.000 0.810 99 A HN 2.311 nan 8.150 nan 0.000 0.445 100 S N -2.709 112.930 115.700 -0.103 0.000 2.567 100 S HA 0.376 4.846 4.470 -0.000 0.000 0.270 100 S C -0.528 174.002 174.600 -0.117 0.000 1.152 100 S CA -0.202 57.946 58.200 -0.088 0.000 0.835 100 S CB 0.662 63.823 63.200 -0.065 0.000 1.115 100 S HN 0.036 nan 8.310 nan 0.000 0.459 101 D N 0.791 121.140 120.400 -0.086 0.000 2.144 101 D HA -0.050 4.590 4.640 -0.000 0.000 0.199 101 D C 1.681 177.937 176.300 -0.073 0.000 0.984 101 D CA 1.085 55.036 54.000 -0.081 0.000 0.834 101 D CB -0.229 40.541 40.800 -0.049 0.000 0.955 101 D HN 0.449 nan 8.370 nan 0.000 0.465 102 I N 1.084 121.619 120.570 -0.058 0.000 2.252 102 I HA -0.158 4.012 4.170 -0.000 0.000 0.245 102 I C 2.181 178.274 176.117 -0.040 0.000 1.102 102 I CA 1.133 62.409 61.300 -0.039 0.000 1.385 102 I CB -0.168 37.813 38.000 -0.031 0.000 1.064 102 I HN -0.184 nan 8.210 nan 0.000 0.414 103 R N 0.268 120.729 120.500 -0.066 0.000 2.083 103 R HA -0.176 4.164 4.340 -0.000 0.000 0.237 103 R C 2.042 178.289 176.300 -0.089 0.000 1.137 103 R CA 1.745 57.807 56.100 -0.063 0.000 0.951 103 R CB -0.431 29.818 30.300 -0.085 0.000 0.851 103 R HN 0.409 nan 8.270 nan 0.000 0.434 104 N N 0.621 119.179 118.700 -0.236 0.000 2.120 104 N HA -0.158 4.582 4.740 -0.000 0.000 0.188 104 N C 1.483 177.013 175.510 0.033 0.000 1.024 104 N CA 1.293 54.143 53.050 -0.334 0.000 0.852 104 N CB -0.146 38.078 38.487 -0.438 0.000 1.003 104 N HN 0.333 nan 8.380 nan 0.000 0.424 105 E N 0.118 120.325 120.200 0.011 0.000 2.077 105 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 105 E C 1.954 178.607 176.600 0.088 0.000 0.989 105 E CA 0.929 57.362 56.400 0.054 0.000 0.800 105 E CB 0.035 29.747 29.700 0.020 0.000 0.746 105 E HN 0.061 nan 8.360 nan 0.000 0.452 106 V N 0.568 120.526 119.914 0.074 0.000 2.307 106 V HA -0.181 3.939 4.120 -0.000 0.000 0.245 106 V C 2.326 178.499 176.094 0.131 0.000 1.045 106 V CA 1.910 64.261 62.300 0.085 0.000 1.024 106 V CB -1.109 30.751 31.823 0.062 0.000 0.651 106 V HN 0.434 nan 8.190 nan 0.000 0.449 107 G N -0.348 108.569 108.800 0.195 0.000 2.476 107 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.218 107 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.218 107 G C 1.467 176.530 174.900 0.271 0.000 1.164 107 G CA 1.193 46.459 45.100 0.277 0.000 0.768 107 G HN 0.557 nan 8.290 nan 0.000 0.560 108 E N 0.209 120.628 120.200 0.363 0.000 2.085 108 E HA -0.096 4.254 4.350 -0.000 0.000 0.194 108 E C 2.572 179.319 176.600 0.244 0.000 0.994 108 E CA 1.155 57.765 56.400 0.351 0.000 0.801 108 E CB -0.049 29.829 29.700 0.296 0.000 0.743 108 E HN 0.406 nan 8.360 nan 0.000 0.453 109 K N 0.282 120.788 120.400 0.176 0.000 2.057 109 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 109 K C 2.128 178.819 176.600 0.151 0.000 1.049 109 K CA 0.946 57.324 56.287 0.151 0.000 0.931 109 K CB -0.094 32.466 32.500 0.100 0.000 0.714 109 K HN 0.123 nan 8.250 nan 0.000 0.440 110 L N 0.494 121.777 121.223 0.099 0.000 2.046 110 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 110 L C 2.307 179.163 176.870 -0.023 0.000 1.077 110 L CA 0.950 55.813 54.840 0.038 0.000 0.747 110 L CB -0.546 41.516 42.059 0.005 0.000 0.896 110 L HN -0.006 nan 8.230 nan 0.000 0.432 111 V N -0.806 119.074 119.914 -0.057 0.000 2.515 111 V HA -0.282 3.838 4.120 -0.000 0.000 0.250 111 V C 2.399 178.370 176.094 -0.205 0.000 1.058 111 V CA 1.833 63.982 62.300 -0.252 0.000 1.064 111 V CB -0.801 30.833 31.823 -0.316 0.000 0.675 111 V HN 0.495 nan 8.190 nan 0.000 0.461 112 H N 0.915 119.994 119.070 0.015 0.000 2.421 112 H HA -0.084 4.472 4.556 -0.000 0.000 0.298 112 H C 1.893 177.315 175.328 0.158 0.000 1.087 112 H CA 1.554 57.725 56.048 0.205 0.000 1.330 112 H CB 0.008 29.890 29.762 0.200 0.000 1.388 112 H HN 0.308 nan 8.280 nan 0.000 0.526 113 N N 1.265 120.014 118.700 0.082 0.000 2.501 113 N HA -0.060 4.680 4.740 -0.000 0.000 0.195 113 N C -0.432 175.061 175.510 -0.028 0.000 1.213 113 N CA 0.520 53.582 53.050 0.020 0.000 0.864 113 N CB 0.154 38.677 38.487 0.061 0.000 0.999 113 N HN 0.444 nan 8.380 nan 0.000 0.454 114 Q N -0.936 118.832 119.800 -0.055 0.000 2.454 114 Q HA -0.122 4.218 4.340 -0.000 0.000 0.307 114 Q C -2.327 173.622 176.000 -0.085 0.000 1.430 114 Q CA 0.388 56.170 55.803 -0.035 0.000 0.786 114 Q CB -1.684 27.073 28.738 0.030 0.000 1.115 114 Q HN 0.392 nan 8.270 nan 0.000 0.389 115 P HA 0.124 nan 4.420 nan 0.000 0.274 115 P C 0.839 178.035 177.300 -0.174 0.000 1.256 115 P CA -0.120 62.889 63.100 -0.152 0.000 0.795 115 P CB 0.588 32.177 31.700 -0.184 0.000 1.038 116 T N -0.824 113.644 114.554 -0.144 0.000 2.746 116 T HA 0.008 4.358 4.350 -0.000 0.000 0.267 116 T C 0.876 175.458 174.700 -0.197 0.000 1.039 116 T CA 1.085 63.102 62.100 -0.139 0.000 1.142 116 T CB -0.195 68.608 68.868 -0.108 0.000 0.866 116 T HN 0.245 nan 8.240 nan 0.000 0.444 117 V N 1.328 121.105 119.914 -0.229 0.000 2.760 117 V HA 0.514 4.634 4.120 -0.000 0.000 0.309 117 V C -0.713 175.166 176.094 -0.358 0.000 1.077 117 V CA -0.985 61.143 62.300 -0.286 0.000 0.910 117 V CB 2.454 34.163 31.823 -0.189 0.000 1.008 117 V HN 0.005 nan 8.190 nan 0.000 0.424 118 V N 4.186 123.790 119.914 -0.516 0.000 2.513 118 V HA 0.669 4.789 4.120 -0.000 0.000 0.299 118 V C -0.214 175.698 176.094 -0.303 0.000 1.035 118 V CA -0.676 61.338 62.300 -0.477 0.000 0.889 118 V CB 1.843 33.249 31.823 -0.695 0.000 0.988 118 V HN 0.897 nan 8.190 nan 0.000 0.440 119 K N 2.317 122.583 120.400 -0.222 0.000 2.502 119 K HA 0.815 5.135 4.320 -0.000 0.000 0.257 119 K C -0.562 175.969 176.600 -0.115 0.000 0.938 119 K CA -0.177 56.031 56.287 -0.132 0.000 0.819 119 K CB 2.569 34.999 32.500 -0.117 0.000 1.333 119 K HN 0.965 nan 8.250 nan 0.000 0.434 120 G N 1.361 110.121 108.800 -0.067 0.000 2.488 120 G HA2 0.195 4.155 3.960 -0.000 0.000 0.301 120 G HA3 0.195 4.155 3.960 -0.000 0.000 0.301 120 G C -1.604 173.287 174.900 -0.014 0.000 1.339 120 G CA -0.872 44.202 45.100 -0.043 0.000 0.803 120 G HN 0.745 nan 8.290 nan 0.000 0.482 121 N N -0.916 117.786 118.700 0.003 0.000 2.413 121 N HA 0.365 5.105 4.740 -0.000 0.000 0.266 121 N C 1.250 176.776 175.510 0.027 0.000 1.238 121 N CA -0.738 52.320 53.050 0.014 0.000 0.972 121 N CB 0.849 39.344 38.487 0.014 0.000 1.210 121 N HN 0.316 nan 8.380 nan 0.000 0.547 122 L N -0.138 121.104 121.223 0.031 0.000 2.013 122 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 122 L C 2.483 179.377 176.870 0.038 0.000 1.073 122 L CA 1.880 56.741 54.840 0.036 0.000 0.753 122 L CB -1.007 41.074 42.059 0.036 0.000 0.890 122 L HN 0.833 nan 8.230 nan 0.000 0.432 123 S N -1.251 114.471 115.700 0.037 0.000 2.356 123 S HA -0.132 4.338 4.470 -0.000 0.000 0.223 123 S C 1.010 175.655 174.600 0.076 0.000 1.032 123 S CA 0.672 58.896 58.200 0.040 0.000 1.005 123 S CB -0.241 62.981 63.200 0.036 0.000 0.867 123 S HN 0.505 nan 8.310 nan 0.000 0.449 127 T N 1.838 116.466 114.554 0.122 0.000 2.720 127 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 127 T C 1.301 176.157 174.700 0.259 0.000 1.037 127 T CA 1.847 64.061 62.100 0.191 0.000 1.144 127 T CB -0.310 68.729 68.868 0.285 0.000 0.864 127 T HN 0.127 nan 8.240 nan 0.000 0.444 128 F N 1.450 121.407 119.950 0.012 0.000 2.161 128 F HA -0.147 4.380 4.527 -0.000 0.000 0.300 128 F C 2.034 177.800 175.800 -0.057 0.000 1.089 128 F CA 0.654 58.516 58.000 -0.230 0.000 1.282 128 F CB -0.492 38.173 39.000 -0.559 0.000 1.010 128 F HN 0.143 nan 8.300 nan 0.000 0.485 129 C N 1.817 121.108 119.300 -0.015 0.000 2.539 129 C HA 0.021 4.481 4.460 -0.000 0.000 0.271 129 C C 0.541 175.481 174.990 -0.084 0.000 1.412 129 C CA 0.082 59.047 59.018 -0.088 0.000 1.729 129 C CB -1.871 25.867 27.740 -0.004 0.000 1.739 129 C HN 0.574 nan 8.230 nan 0.000 0.570 130 Q N -0.561 119.207 119.800 -0.054 0.000 2.470 130 Q HA -0.173 4.167 4.340 -0.000 0.000 0.294 130 Q C -0.533 175.460 176.000 -0.012 0.000 1.356 130 Q CA 0.922 56.709 55.803 -0.026 0.000 0.805 130 Q CB -1.923 26.786 28.738 -0.050 0.000 1.157 130 Q HN 0.661 nan 8.270 nan 0.000 0.431 131 L N -0.891 120.331 121.223 -0.002 0.000 2.332 131 L HA 0.628 4.968 4.340 -0.000 0.000 0.269 131 L C 0.928 177.778 176.870 -0.032 0.000 1.016 131 L CA -1.332 53.505 54.840 -0.005 0.000 0.809 131 L CB 1.332 43.391 42.059 0.000 0.000 1.280 131 L HN -0.126 nan 8.230 nan 0.000 0.447 132 V N 0.182 120.060 119.914 -0.060 0.000 3.003 132 V HA 0.167 4.287 4.120 -0.000 0.000 0.305 132 V C 0.343 176.193 176.094 -0.406 0.000 1.078 132 V CA -0.211 61.989 62.300 -0.166 0.000 1.083 132 V CB 1.458 33.244 31.823 -0.061 0.000 1.039 132 V HN 0.747 nan 8.190 nan 0.000 0.481 133 S N 1.473 116.923 115.700 -0.417 0.000 2.653 133 S HA 0.498 4.968 4.470 -0.000 0.000 0.272 133 S C -0.512 173.893 174.600 -0.324 0.000 1.221 133 S CA -0.698 57.281 58.200 -0.369 0.000 1.149 133 S CB -0.237 62.890 63.200 -0.123 0.000 1.029 133 S HN 0.852 nan 8.310 nan 0.000 0.481 143 L N -0.190 121.073 121.223 0.067 0.000 2.081 143 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 143 L C 1.377 178.303 176.870 0.093 0.000 1.080 143 L CA 1.708 56.584 54.840 0.061 0.000 0.754 143 L CB -0.424 41.658 42.059 0.039 0.000 0.893 143 L HN 0.450 nan 8.230 nan 0.000 0.433 144 D N -0.613 119.871 120.400 0.139 0.000 2.310 144 D HA -0.189 4.451 4.640 -0.000 0.000 0.212 144 D C 2.059 178.406 176.300 0.079 0.000 0.965 144 D CA 0.853 54.932 54.000 0.132 0.000 0.879 144 D CB 0.011 40.875 40.800 0.107 0.000 0.921 144 D HN 0.288 nan 8.370 nan 0.000 0.510 145 Q N 0.447 120.284 119.800 0.062 0.000 2.365 145 Q HA 0.025 4.365 4.340 -0.000 0.000 0.203 145 Q C 0.138 176.163 176.000 0.042 0.000 0.929 145 Q CA -0.241 55.591 55.803 0.048 0.000 0.948 145 Q CB 0.153 28.916 28.738 0.042 0.000 1.043 145 Q HN 0.130 nan 8.270 nan 0.000 0.505 146 S N -1.489 114.237 115.700 0.043 0.000 2.576 146 S HA -0.015 4.455 4.470 -0.000 0.000 0.272 146 S C 1.010 175.629 174.600 0.032 0.000 1.352 146 S CA -0.034 58.186 58.200 0.032 0.000 1.021 146 S CB 1.446 64.663 63.200 0.027 0.000 0.887 146 S HN 0.235 nan 8.310 nan 0.000 0.542 147 E N 1.621 121.837 120.200 0.026 0.000 2.160 147 E HA -0.076 4.274 4.350 -0.000 0.000 0.195 147 E C 2.630 179.245 176.600 0.025 0.000 0.991 147 E CA 1.642 58.057 56.400 0.025 0.000 0.810 147 E CB -1.373 28.340 29.700 0.021 0.000 0.742 147 E HN 0.911 nan 8.360 nan 0.000 0.466 148 E N 0.218 120.432 120.200 0.023 0.000 2.028 148 E HA -0.007 4.343 4.350 -0.000 0.000 0.191 148 E C 2.264 178.883 176.600 0.032 0.000 0.988 148 E CA 1.406 57.819 56.400 0.023 0.000 0.799 148 E CB -1.010 28.701 29.700 0.017 0.000 0.755 148 E HN 0.490 nan 8.360 nan 0.000 0.447 149 A N 0.478 123.323 122.820 0.042 0.000 1.902 149 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 149 A C 2.332 179.944 177.584 0.048 0.000 1.181 149 A CA 1.736 53.808 52.037 0.058 0.000 0.623 149 A CB -0.328 18.720 19.000 0.080 0.000 0.818 149 A HN 0.443 nan 8.150 nan 0.000 0.443 150 I N -0.005 120.590 120.570 0.042 0.000 2.208 150 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 150 I C 2.373 178.509 176.117 0.031 0.000 1.097 150 I CA 1.849 63.171 61.300 0.037 0.000 1.363 150 I CB -1.451 36.571 38.000 0.037 0.000 1.051 150 I HN 0.373 nan 8.210 nan 0.000 0.413 151 E N 0.965 121.182 120.200 0.028 0.000 2.077 151 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 151 E C 2.182 178.794 176.600 0.020 0.000 0.989 151 E CA 1.441 57.855 56.400 0.022 0.000 0.800 151 E CB -0.202 29.510 29.700 0.020 0.000 0.746 151 E HN 0.484 nan 8.360 nan 0.000 0.452 152 E N -0.483 119.732 120.200 0.024 0.000 2.058 152 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 152 E C 2.030 178.640 176.600 0.016 0.000 0.997 152 E CA 1.257 57.670 56.400 0.023 0.000 0.801 152 E CB -0.189 29.532 29.700 0.035 0.000 0.746 152 E HN 0.277 nan 8.360 nan 0.000 0.450 153 L N 0.998 122.234 121.223 0.022 0.000 2.093 153 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 153 L C 2.111 178.984 176.870 0.004 0.000 1.085 153 L CA 1.406 56.255 54.840 0.016 0.000 0.755 153 L CB -0.358 41.718 42.059 0.027 0.000 0.904 153 L HN 0.214 nan 8.230 nan 0.000 0.435 154 I N -0.763 119.813 120.570 0.011 0.000 2.208 154 I HA -0.328 3.842 4.170 -0.000 0.000 0.245 154 I C 2.611 178.723 176.117 -0.007 0.000 1.097 154 I CA 1.562 62.866 61.300 0.007 0.000 1.363 154 I CB -0.306 37.704 38.000 0.017 0.000 1.051 154 I HN 0.456 nan 8.210 nan 0.000 0.413 155 Q N 0.484 120.280 119.800 -0.006 0.000 2.123 155 Q HA -0.168 4.172 4.340 -0.000 0.000 0.199 155 Q C 2.387 178.370 176.000 -0.029 0.000 0.966 155 Q CA 1.439 57.235 55.803 -0.013 0.000 0.845 155 Q CB -0.040 28.694 28.738 -0.006 0.000 0.907 155 Q HN 0.563 nan 8.270 nan 0.000 0.439 156 A N 0.791 123.593 122.820 -0.030 0.000 1.883 156 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 156 A C 1.994 179.522 177.584 -0.093 0.000 1.186 156 A CA 1.273 53.281 52.037 -0.048 0.000 0.624 156 A CB -0.766 18.215 19.000 -0.031 0.000 0.822 156 A HN 0.412 nan 8.150 nan 0.000 0.444 157 L N -1.339 119.818 121.223 -0.110 0.000 2.141 157 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 157 L C 2.813 179.554 176.870 -0.215 0.000 1.094 157 L CA 0.709 55.406 54.840 -0.239 0.000 0.763 157 L CB -0.438 41.515 42.059 -0.177 0.000 0.908 157 L HN 0.251 nan 8.230 nan 0.000 0.437 158 R N 0.282 120.725 120.500 -0.095 0.000 2.081 158 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 158 R C 2.199 178.465 176.300 -0.057 0.000 1.131 158 R CA 1.373 57.442 56.100 -0.052 0.000 0.960 158 R CB -0.473 29.813 30.300 -0.023 0.000 0.856 158 R HN 0.510 nan 8.270 nan 0.000 0.436 159 Q N -0.112 119.647 119.800 -0.068 0.000 2.124 159 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 159 Q C 2.091 178.047 176.000 -0.072 0.000 0.977 159 Q CA 1.183 56.949 55.803 -0.063 0.000 0.850 159 Q CB 0.054 28.756 28.738 -0.059 0.000 0.901 159 Q HN 0.244 nan 8.270 nan 0.000 0.429 160 Q N -0.484 119.247 119.800 -0.115 0.000 2.119 160 Q HA -0.118 4.222 4.340 -0.000 0.000 0.201 160 Q C 2.301 178.339 176.000 0.063 0.000 0.972 160 Q CA 1.877 57.645 55.803 -0.058 0.000 0.847 160 Q CB -0.572 27.975 28.738 -0.318 0.000 0.903 160 Q HN 0.580 nan 8.270 nan 0.000 0.433 161 T N -1.055 113.505 114.554 0.009 0.000 2.929 161 T HA -0.132 4.218 4.350 -0.000 0.000 0.271 161 T C 1.671 176.429 174.700 0.097 0.000 1.085 161 T CA 0.791 63.003 62.100 0.187 0.000 1.125 161 T CB 0.080 69.037 68.868 0.149 0.000 0.874 161 T HN 0.036 nan 8.240 nan 0.000 0.494 162 Q N 1.723 121.529 119.800 0.009 0.000 2.050 162 Q HA -0.005 4.335 4.340 -0.000 0.000 0.202 162 Q C 2.329 178.269 176.000 -0.100 0.000 0.980 162 Q CA 1.567 57.349 55.803 -0.036 0.000 0.840 162 Q CB -0.289 28.417 28.738 -0.053 0.000 0.898 162 Q HN 0.670 nan 8.270 nan 0.000 0.424 163 K N -0.639 119.630 120.400 -0.218 0.000 2.228 163 K HA -0.005 4.315 4.320 -0.000 0.000 0.202 163 K C 0.090 176.319 176.600 -0.618 0.000 1.051 163 K CA 0.494 56.466 56.287 -0.524 0.000 0.960 163 K CB 0.195 32.133 32.500 -0.937 0.000 0.743 163 K HN 0.045 nan 8.250 nan 0.000 0.458 164 F N 1.046 121.075 119.950 0.131 0.000 2.531 164 F HA 0.252 4.779 4.527 -0.000 0.000 0.333 164 F C -2.031 173.853 175.800 0.141 0.000 1.292 164 F CA -2.592 55.501 58.000 0.155 0.000 1.184 164 F CB 1.321 40.498 39.000 0.295 0.000 1.426 164 F HN -0.130 nan 8.300 nan 0.000 0.559 165 P HA -0.076 nan 4.420 nan 0.000 0.233 165 P C 0.704 178.066 177.300 0.103 0.000 1.167 165 P CA 0.991 64.161 63.100 0.118 0.000 0.770 165 P CB 0.441 32.172 31.700 0.053 0.000 0.837 166 Q N -0.986 118.871 119.800 0.095 0.000 2.175 166 Q HA 0.215 4.555 4.340 -0.000 0.000 0.225 166 Q C -0.382 175.624 176.000 0.011 0.000 0.837 166 Q CA 0.229 56.057 55.803 0.042 0.000 1.032 166 Q CB 0.312 29.062 28.738 0.020 0.000 1.137 166 Q HN -0.005 nan 8.270 nan 0.000 0.483 167 T N -0.373 114.200 114.554 0.031 0.000 2.829 167 T HA 0.517 4.867 4.350 -0.000 0.000 0.280 167 T C -0.639 173.975 174.700 -0.144 0.000 0.999 167 T CA -0.485 61.530 62.100 -0.142 0.000 0.983 167 T CB 1.732 70.414 68.868 -0.310 0.000 0.968 167 T HN -0.182 nan 8.240 nan 0.000 0.446 168 V N 4.151 123.932 119.914 -0.222 0.000 2.439 168 V HA 0.477 4.597 4.120 -0.000 0.000 0.282 168 V C -0.704 175.214 176.094 -0.293 0.000 1.039 168 V CA -0.616 61.613 62.300 -0.117 0.000 0.913 168 V CB 0.541 32.321 31.823 -0.072 0.000 0.983 168 V HN 0.736 nan 8.190 nan 0.000 0.460 169 F N 5.322 125.255 119.950 -0.029 0.000 2.436 169 F HA 0.648 5.175 4.527 -0.000 0.000 0.340 169 F C -0.171 175.607 175.800 -0.036 0.000 1.113 169 F CA -0.728 57.241 58.000 -0.051 0.000 1.022 169 F CB 1.658 40.642 39.000 -0.026 0.000 1.128 169 F HN 0.283 nan 8.300 nan 0.000 0.466 170 L N 3.743 125.013 121.223 0.079 0.000 2.372 170 L HA 0.839 5.179 4.340 -0.000 0.000 0.274 170 L C -0.944 175.950 176.870 0.040 0.000 0.988 170 L CA -0.792 54.076 54.840 0.047 0.000 0.833 170 L CB 1.082 43.142 42.059 0.001 0.000 1.236 170 L HN 0.623 nan 8.230 nan 0.000 0.410 171 A N 3.108 125.960 122.820 0.053 0.000 2.287 171 A HA 0.749 5.069 4.320 -0.000 0.000 0.317 171 A C -0.028 177.579 177.584 0.038 0.000 1.220 171 A CA -0.066 51.995 52.037 0.041 0.000 0.835 171 A CB 0.555 19.585 19.000 0.049 0.000 1.180 171 A HN 0.797 nan 8.150 nan 0.000 0.500 172 T N 0.087 114.657 114.554 0.027 0.000 2.902 172 T HA 0.871 5.221 4.350 -0.000 0.000 0.283 172 T C 0.334 175.054 174.700 0.034 0.000 1.009 172 T CA 0.059 62.177 62.100 0.031 0.000 1.051 172 T CB 1.768 70.644 68.868 0.013 0.000 0.999 172 T HN 1.955 nan 8.240 nan 0.000 0.474 173 G N 0.864 109.691 108.800 0.044 0.000 2.356 173 G HA2 0.346 4.306 3.960 -0.000 0.000 0.281 173 G HA3 0.346 4.306 3.960 -0.000 0.000 0.281 173 G C 0.357 175.288 174.900 0.050 0.000 1.246 173 G CA -0.384 44.742 45.100 0.043 0.000 0.889 173 G HN 0.693 nan 8.290 nan 0.000 0.486 174 I N 0.644 121.241 120.570 0.044 0.000 2.118 174 I HA -0.116 4.054 4.170 -0.000 0.000 0.241 174 I C 1.378 177.527 176.117 0.052 0.000 1.070 174 I CA 1.427 62.754 61.300 0.045 0.000 1.327 174 I CB -0.223 37.798 38.000 0.036 0.000 1.034 174 I HN 0.306 nan 8.210 nan 0.000 0.405 175 Q N 1.234 121.065 119.800 0.051 0.000 2.245 175 Q HA 0.272 4.612 4.340 -0.000 0.000 0.256 175 Q C -1.038 174.998 176.000 0.060 0.000 0.942 175 Q CA -0.630 55.208 55.803 0.057 0.000 0.896 175 Q CB 1.663 30.432 28.738 0.051 0.000 1.272 175 Q HN 0.146 nan 8.270 nan 0.000 0.442 176 D N 1.552 121.994 120.400 0.070 0.000 2.168 176 D HA 0.295 4.935 4.640 -0.000 0.000 0.246 176 D C -0.831 175.510 176.300 0.068 0.000 1.050 176 D CA -0.285 53.757 54.000 0.070 0.000 0.857 176 D CB 2.052 42.903 40.800 0.085 0.000 1.169 176 D HN 0.129 nan 8.370 nan 0.000 0.453 177 V N 2.967 122.918 119.914 0.063 0.000 2.384 177 V HA 0.321 4.441 4.120 -0.000 0.000 0.287 177 V C -0.237 175.900 176.094 0.071 0.000 1.020 177 V CA -0.743 61.595 62.300 0.063 0.000 0.850 177 V CB 1.264 33.120 31.823 0.055 0.000 0.987 177 V HN 0.302 nan 8.190 nan 0.000 0.436 178 L N 5.989 127.256 121.223 0.073 0.000 2.333 178 L HA 0.727 5.067 4.340 -0.000 0.000 0.280 178 L C -0.375 176.547 176.870 0.087 0.000 1.004 178 L CA -0.247 54.641 54.840 0.081 0.000 0.820 178 L CB 1.981 44.081 42.059 0.069 0.000 1.247 178 L HN 0.395 nan 8.230 nan 0.000 0.416 179 V N 1.633 121.621 119.914 0.125 0.000 2.638 179 V HA 0.795 4.915 4.120 -0.000 0.000 0.306 179 V C -0.179 176.023 176.094 0.181 0.000 1.052 179 V CA -0.428 61.946 62.300 0.124 0.000 0.885 179 V CB 1.974 33.853 31.823 0.094 0.000 0.999 179 V HN 0.886 nan 8.190 nan 0.000 0.424 180 S N 3.070 118.846 115.700 0.126 0.000 2.810 180 S HA 0.432 4.902 4.470 -0.000 0.000 0.315 180 S C 0.466 175.128 174.600 0.103 0.000 1.138 180 S CA -0.704 57.576 58.200 0.133 0.000 0.889 180 S CB 1.944 65.190 63.200 0.076 0.000 1.236 180 S HN 0.542 nan 8.310 nan 0.000 0.548 181 Q N -0.020 119.835 119.800 0.093 0.000 2.170 181 Q HA -0.096 4.244 4.340 -0.000 0.000 0.203 181 Q C 1.091 177.114 176.000 0.039 0.000 0.976 181 Q CA 1.698 57.539 55.803 0.063 0.000 0.858 181 Q CB -0.138 28.632 28.738 0.054 0.000 0.907 181 Q HN 0.721 nan 8.270 nan 0.000 0.433 182 E N -0.706 119.515 120.200 0.035 0.000 2.340 182 E HA 0.088 4.438 4.350 -0.000 0.000 0.198 182 E C 0.045 176.657 176.600 0.019 0.000 0.961 182 E CA 0.341 56.753 56.400 0.021 0.000 0.905 182 E CB 0.610 30.317 29.700 0.012 0.000 0.884 182 E HN 0.162 nan 8.360 nan 0.000 0.491 183 Q N -0.167 119.650 119.800 0.027 0.000 2.456 183 Q HA 0.600 4.940 4.340 -0.000 0.000 0.283 183 Q C -1.349 174.672 176.000 0.035 0.000 1.084 183 Q CA -0.875 54.943 55.803 0.025 0.000 0.801 183 Q CB 3.295 32.043 28.738 0.017 0.000 1.434 183 Q HN -0.129 nan 8.270 nan 0.000 0.419 184 V N 2.502 122.435 119.914 0.032 0.000 2.525 184 V HA 0.549 4.669 4.120 -0.000 0.000 0.299 184 V C -0.789 175.328 176.094 0.038 0.000 1.034 184 V CA -0.458 61.865 62.300 0.038 0.000 0.863 184 V CB 1.642 33.484 31.823 0.032 0.000 0.999 184 V HN 0.601 nan 8.190 nan 0.000 0.423 185 I N 4.781 125.379 120.570 0.047 0.000 2.498 185 I HA 0.549 4.719 4.170 -0.000 0.000 0.290 185 I C -0.842 175.312 176.117 0.061 0.000 1.032 185 I CA -0.940 60.392 61.300 0.052 0.000 1.073 185 I CB 2.436 40.469 38.000 0.055 0.000 1.251 185 I HN 0.255 nan 8.210 nan 0.000 0.426 186 V N 6.935 126.886 119.914 0.062 0.000 2.417 186 V HA 0.478 4.598 4.120 -0.000 0.000 0.291 186 V C -0.036 176.105 176.094 0.078 0.000 1.024 186 V CA -0.493 61.846 62.300 0.065 0.000 0.861 186 V CB 1.807 33.663 31.823 0.055 0.000 0.985 186 V HN 0.466 nan 8.190 nan 0.000 0.436 187 L N 4.446 125.722 121.223 0.089 0.000 2.331 187 L HA 0.587 4.927 4.340 -0.000 0.000 0.275 187 L C 0.070 176.995 176.870 0.091 0.000 1.022 187 L CA -0.414 54.490 54.840 0.105 0.000 0.812 187 L CB 1.893 44.032 42.059 0.133 0.000 1.257 187 L HN 0.621 nan 8.230 nan 0.000 0.435 188 Q N 1.285 121.139 119.800 0.090 0.000 2.139 188 Q HA 0.274 4.614 4.340 -0.000 0.000 0.301 188 Q C -0.830 175.214 176.000 0.074 0.000 0.874 188 Q CA -0.186 55.661 55.803 0.073 0.000 1.116 188 Q CB 0.916 29.690 28.738 0.060 0.000 1.278 188 Q HN 0.630 nan 8.270 nan 0.000 0.426 189 N N -0.393 118.362 118.700 0.091 0.000 2.491 189 N HA 0.772 5.512 4.740 -0.000 0.000 0.279 189 N C 0.073 175.637 175.510 0.091 0.000 1.236 189 N CA 0.294 53.397 53.050 0.089 0.000 0.982 189 N CB 1.193 39.744 38.487 0.107 0.000 1.194 189 N HN 0.208 nan 8.380 nan 0.000 0.582 190 G N -1.394 107.455 108.800 0.083 0.000 2.631 190 G HA2 0.042 4.002 3.960 -0.000 0.000 0.504 190 G HA3 0.042 4.002 3.960 -0.000 0.000 0.504 190 G C -1.139 173.804 174.900 0.073 0.000 1.306 190 G CA -0.408 44.746 45.100 0.091 0.000 0.897 190 G HN 1.135 nan 8.290 nan 0.000 0.520 191 V N -3.651 116.311 119.914 0.080 0.000 3.078 191 V HA 0.865 4.985 4.120 -0.000 0.000 0.311 191 V C -1.814 174.280 176.094 -0.001 0.000 1.138 191 V CA -0.992 61.324 62.300 0.027 0.000 1.007 191 V CB 1.859 33.682 31.823 -0.000 0.000 1.045 191 V HN 0.627 nan 8.190 nan 0.000 0.432 192 P HA -0.013 nan 4.420 nan 0.000 0.220 192 P C 1.038 178.287 177.300 -0.085 0.000 1.148 192 P CA 1.180 64.253 63.100 -0.045 0.000 0.803 192 P CB 0.229 31.900 31.700 -0.049 0.000 0.782 193 E N -0.650 119.422 120.200 -0.214 0.000 2.333 193 E HA -0.075 4.274 4.350 -0.000 0.000 0.198 193 E C 1.688 178.252 176.600 -0.061 0.000 1.007 193 E CA 0.512 56.702 56.400 -0.350 0.000 0.845 193 E CB -0.980 28.083 29.700 -1.061 0.000 0.766 193 E HN 0.274 nan 8.360 nan 0.000 0.507 194 L N 0.545 121.822 121.223 0.090 0.000 2.456 194 L HA -0.140 4.200 4.340 -0.000 0.000 0.224 194 L C 0.894 177.749 176.870 -0.026 0.000 1.148 194 L CA 0.686 55.634 54.840 0.181 0.000 0.825 194 L CB -0.021 42.171 42.059 0.221 0.000 0.937 194 L HN 0.028 nan 8.230 nan 0.000 0.450 195 D N -1.548 118.844 120.400 -0.014 0.000 2.340 195 D HA 0.023 4.663 4.640 -0.000 0.000 0.220 195 D C 1.099 177.388 176.300 -0.019 0.000 1.039 195 D CA 0.417 54.396 54.000 -0.036 0.000 0.866 195 D CB 0.154 40.946 40.800 -0.012 0.000 0.913 195 D HN 0.297 nan 8.370 nan 0.000 0.523 196 C N 0.581 119.900 119.300 0.031 0.000 2.881 196 C HA 0.352 4.812 4.460 -0.000 0.000 0.290 196 C C 0.086 175.232 174.990 0.261 0.000 1.362 196 C CA -0.798 58.285 59.018 0.108 0.000 1.757 196 C CB -1.681 26.110 27.740 0.084 0.000 2.265 196 C HN 0.189 nan 8.230 nan 0.000 0.600 197 F N -1.887 118.145 119.950 0.136 0.000 2.626 197 F HA 0.660 5.187 4.527 -0.000 0.000 0.311 197 F C -0.398 175.466 175.800 0.106 0.000 1.088 197 F CA -0.828 57.246 58.000 0.122 0.000 0.949 197 F CB 0.551 39.639 39.000 0.146 0.000 1.322 197 F HN -0.226 nan 8.300 nan 0.000 0.461 198 T N 1.075 115.777 114.554 0.247 0.000 2.884 198 T HA 0.462 4.812 4.350 -0.000 0.000 0.298 198 T C 0.895 175.650 174.700 0.092 0.000 0.998 198 T CA 1.042 63.203 62.100 0.102 0.000 1.124 198 T CB 0.208 69.141 68.868 0.108 0.000 0.931 198 T HN 1.944 nan 8.240 nan 0.000 0.531 199 G N 2.991 111.782 108.800 -0.016 0.000 2.176 199 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.232 199 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.232 199 G C 1.077 175.927 174.900 -0.083 0.000 0.986 199 G CA 1.014 46.107 45.100 -0.012 0.000 0.643 199 G HN 1.151 nan 8.290 nan 0.000 0.522 200 T N -1.691 112.741 114.554 -0.204 0.000 2.720 200 T HA 0.078 4.428 4.350 -0.000 0.000 0.268 200 T C 2.502 176.985 174.700 -0.363 0.000 1.037 200 T CA 2.063 64.017 62.100 -0.245 0.000 1.144 200 T CB -0.709 68.035 68.868 -0.206 0.000 0.864 200 T HN 1.245 nan 8.240 nan 0.000 0.444 201 G N 1.494 110.163 108.800 -0.219 0.000 2.402 201 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.216 201 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.216 201 G C 1.352 176.146 174.900 -0.177 0.000 1.162 201 G CA 0.876 45.864 45.100 -0.185 0.000 0.777 201 G HN 0.456 nan 8.290 nan 0.000 0.539 202 D N 0.718 121.037 120.400 -0.135 0.000 2.097 202 D HA -0.082 4.558 4.640 -0.000 0.000 0.195 202 D C 2.651 178.871 176.300 -0.133 0.000 0.989 202 D CA 0.539 54.478 54.000 -0.101 0.000 0.827 202 D CB -0.301 40.465 40.800 -0.057 0.000 0.966 202 D HN 0.269 nan 8.370 nan 0.000 0.456 203 L N 0.474 121.589 121.223 -0.180 0.000 2.093 203 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 203 L C 2.554 179.261 176.870 -0.271 0.000 1.085 203 L CA 0.542 55.271 54.840 -0.185 0.000 0.755 203 L CB -0.502 41.482 42.059 -0.125 0.000 0.904 203 L HN -0.044 nan 8.230 nan 0.000 0.435 204 V N 0.673 120.322 119.914 -0.441 0.000 2.332 204 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 204 V C 2.714 178.721 176.094 -0.145 0.000 1.055 204 V CA 2.052 64.155 62.300 -0.329 0.000 1.038 204 V CB -1.226 30.394 31.823 -0.337 0.000 0.651 204 V HN 0.569 nan 8.190 nan 0.000 0.450 205 G N -0.344 108.374 108.800 -0.136 0.000 2.476 205 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.218 205 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.218 205 G C 1.770 176.624 174.900 -0.076 0.000 1.164 205 G CA 1.190 46.232 45.100 -0.096 0.000 0.768 205 G HN 0.630 nan 8.290 nan 0.000 0.560 206 A N 0.381 123.157 122.820 -0.074 0.000 1.933 206 A HA 0.120 4.440 4.320 -0.000 0.000 0.218 206 A C 2.459 180.029 177.584 -0.023 0.000 1.175 206 A CA 1.278 53.284 52.037 -0.051 0.000 0.628 206 A CB -0.358 18.614 19.000 -0.046 0.000 0.814 206 A HN 0.366 nan 8.150 nan 0.000 0.444 207 L N -0.565 120.656 121.223 -0.003 0.000 2.056 207 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 207 L C 2.531 179.425 176.870 0.040 0.000 1.078 207 L CA 1.014 55.890 54.840 0.060 0.000 0.749 207 L CB -0.642 41.499 42.059 0.137 0.000 0.901 207 L HN 0.244 nan 8.230 nan 0.000 0.433 208 V N 0.348 120.267 119.914 0.008 0.000 2.287 208 V HA -0.337 3.782 4.120 -0.000 0.000 0.248 208 V C 2.795 178.868 176.094 -0.034 0.000 1.053 208 V CA 1.965 64.258 62.300 -0.011 0.000 1.027 208 V CB -0.964 30.839 31.823 -0.034 0.000 0.646 208 V HN 0.502 nan 8.190 nan 0.000 0.447 209 A N -0.118 122.674 122.820 -0.046 0.000 1.902 209 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 209 A C 2.441 179.995 177.584 -0.049 0.000 1.181 209 A CA 2.117 54.119 52.037 -0.059 0.000 0.623 209 A CB -0.808 18.149 19.000 -0.071 0.000 0.818 209 A HN 0.588 nan 8.150 nan 0.000 0.443 210 A N -0.202 122.602 122.820 -0.027 0.000 1.883 210 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 210 A C 2.180 179.747 177.584 -0.027 0.000 1.186 210 A CA 1.608 53.636 52.037 -0.015 0.000 0.624 210 A CB -0.612 18.402 19.000 0.024 0.000 0.822 210 A HN 0.483 nan 8.150 nan 0.000 0.444 211 L N -0.820 120.383 121.223 -0.033 0.000 2.109 211 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 211 L C 2.557 179.382 176.870 -0.074 0.000 1.086 211 L CA 0.746 55.541 54.840 -0.074 0.000 0.760 211 L CB -0.560 41.447 42.059 -0.087 0.000 0.910 211 L HN 0.361 nan 8.230 nan 0.000 0.437 212 L N -0.168 121.017 121.223 -0.063 0.000 2.012 212 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 212 L C 2.686 179.518 176.870 -0.064 0.000 1.073 212 L CA 1.624 56.424 54.840 -0.066 0.000 0.748 212 L CB -1.202 40.816 42.059 -0.069 0.000 0.891 212 L HN 0.336 nan 8.230 nan 0.000 0.431 213 G N -0.529 108.234 108.800 -0.061 0.000 2.442 213 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.219 213 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.219 213 G C 1.455 176.324 174.900 -0.051 0.000 1.141 213 G CA 0.950 46.016 45.100 -0.058 0.000 0.763 213 G HN 0.384 nan 8.290 nan 0.000 0.554 214 E N 0.001 120.170 120.200 -0.052 0.000 2.268 214 E HA 0.188 4.538 4.350 -0.000 0.000 0.195 214 E C 1.733 178.300 176.600 -0.055 0.000 0.995 214 E CA 1.228 57.597 56.400 -0.051 0.000 0.836 214 E CB -0.307 29.356 29.700 -0.062 0.000 0.763 214 E HN 0.481 nan 8.360 nan 0.000 0.491 215 G N -0.353 108.410 108.800 -0.061 0.000 2.173 215 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.142 215 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.142 215 G C -0.408 174.451 174.900 -0.068 0.000 1.019 215 G CA -0.185 44.879 45.100 -0.059 0.000 0.699 215 G HN 0.274 nan 8.290 nan 0.000 0.495 216 N N 0.750 119.402 118.700 -0.080 0.000 2.503 216 N HA 0.600 5.340 4.740 -0.000 0.000 0.267 216 N C 0.697 176.161 175.510 -0.076 0.000 1.214 216 N CA 0.448 53.446 53.050 -0.088 0.000 0.959 216 N CB 0.960 39.383 38.487 -0.106 0.000 1.142 216 N HN 0.622 nan 8.380 nan 0.000 0.455 217 A N 1.789 124.562 122.820 -0.077 0.000 2.425 217 A HA 0.310 4.630 4.320 -0.000 0.000 0.242 217 A C -1.930 175.614 177.584 -0.067 0.000 1.077 217 A CA -0.909 51.088 52.037 -0.067 0.000 0.781 217 A CB -0.281 18.679 19.000 -0.066 0.000 1.020 217 A HN 0.482 nan 8.150 nan 0.000 0.494 221 A N 1.657 124.442 122.820 -0.058 0.000 1.908 221 A HA 0.246 4.566 4.320 -0.000 0.000 0.218 221 A C 2.411 180.000 177.584 0.010 0.000 1.181 221 A CA 2.568 54.582 52.037 -0.038 0.000 0.627 221 A CB -1.054 17.916 19.000 -0.052 0.000 0.818 221 A HN 0.687 nan 8.150 nan 0.000 0.445 222 A N -0.748 122.076 122.820 0.005 0.000 1.855 222 A HA 0.030 4.350 4.320 -0.000 0.000 0.215 222 A C 2.252 179.889 177.584 0.088 0.000 1.191 222 A CA 1.758 53.813 52.037 0.030 0.000 0.613 222 A CB -1.001 18.003 19.000 0.008 0.000 0.829 222 A HN 0.399 nan 8.150 nan 0.000 0.442 223 V N -0.075 119.892 119.914 0.088 0.000 2.295 223 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 223 V C 3.057 179.338 176.094 0.312 0.000 1.049 223 V CA 2.008 64.406 62.300 0.164 0.000 1.024 223 V CB -1.207 30.677 31.823 0.102 0.000 0.648 223 V HN 0.614 nan 8.190 nan 0.000 0.447 224 A N -0.216 122.778 122.820 0.289 0.000 1.930 224 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 224 A C 2.406 180.260 177.584 0.451 0.000 1.175 224 A CA 1.983 54.309 52.037 0.482 0.000 0.627 224 A CB -0.716 18.447 19.000 0.272 0.000 0.815 224 A HN 0.552 nan 8.150 nan 0.000 0.443 225 A N -0.430 122.562 122.820 0.286 0.000 1.845 225 A HA -0.012 4.308 4.320 -0.000 0.000 0.215 225 A C 2.231 180.017 177.584 0.337 0.000 1.195 225 A CA 1.840 54.051 52.037 0.289 0.000 0.616 225 A CB -1.128 17.965 19.000 0.154 0.000 0.832 225 A HN 0.402 nan 8.150 nan 0.000 0.443 226 V N 0.123 120.192 119.914 0.259 0.000 2.287 226 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 226 V C 2.834 179.129 176.094 0.334 0.000 1.053 226 V CA 2.478 64.929 62.300 0.252 0.000 1.027 226 V CB -0.965 30.968 31.823 0.183 0.000 0.646 226 V HN 0.569 nan 8.190 nan 0.000 0.447 227 S N -1.368 114.560 115.700 0.379 0.000 2.356 227 S HA -0.235 4.234 4.470 -0.000 0.000 0.223 227 S C 1.870 176.742 174.600 0.454 0.000 1.032 227 S CA 1.972 60.412 58.200 0.399 0.000 1.005 227 S CB -0.474 62.996 63.200 0.451 0.000 0.867 227 S HN 0.667 nan 8.310 nan 0.000 0.449 228 Y N 1.180 121.713 120.300 0.389 0.000 2.145 228 Y HA -0.132 4.418 4.550 -0.000 0.000 0.286 228 Y C 2.041 177.999 175.900 0.097 0.000 1.145 228 Y CA 1.280 59.468 58.100 0.146 0.000 1.148 228 Y CB -0.644 37.861 38.460 0.075 0.000 0.981 228 Y HN 0.268 nan 8.280 nan 0.000 0.507 229 F N 1.028 121.040 119.950 0.104 0.000 2.102 229 F HA -0.233 4.294 4.527 -0.000 0.000 0.298 229 F C 2.016 177.794 175.800 -0.035 0.000 1.105 229 F CA 2.039 60.034 58.000 -0.009 0.000 1.239 229 F CB -0.538 38.516 39.000 0.091 0.000 0.991 229 F HN 0.028 nan 8.300 nan 0.000 0.474 230 N N 0.684 119.487 118.700 0.172 0.000 2.244 230 N HA -0.124 4.616 4.740 -0.000 0.000 0.183 230 N C 1.991 177.487 175.510 -0.023 0.000 1.016 230 N CA 1.339 54.442 53.050 0.088 0.000 0.866 230 N CB -0.537 38.058 38.487 0.182 0.000 0.980 230 N HN 0.362 nan 8.380 nan 0.000 0.430 231 L N -0.109 121.098 121.223 -0.027 0.000 2.141 231 L HA -0.101 4.239 4.340 -0.000 0.000 0.209 231 L C 2.188 178.933 176.870 -0.208 0.000 1.094 231 L CA 0.522 55.331 54.840 -0.051 0.000 0.763 231 L CB -0.269 41.842 42.059 0.085 0.000 0.908 231 L HN 0.191 nan 8.230 nan 0.000 0.437 232 C N -0.036 119.012 119.300 -0.420 0.000 2.425 232 C HA -0.119 4.341 4.460 -0.000 0.000 0.277 232 C C 2.881 177.648 174.990 -0.371 0.000 1.280 232 C CA 0.945 59.666 59.018 -0.493 0.000 1.744 232 C CB -1.476 25.852 27.740 -0.686 0.000 1.989 232 C HN 0.707 nan 8.230 nan 0.000 0.491 233 G N 0.150 108.758 108.800 -0.320 0.000 2.433 233 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.216 233 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.216 233 G C 1.468 176.418 174.900 0.084 0.000 1.186 233 G CA 0.796 45.845 45.100 -0.085 0.000 0.779 233 G HN 0.662 nan 8.290 nan 0.000 0.543 234 E N 0.031 120.247 120.200 0.027 0.000 2.070 234 E HA -0.150 4.200 4.350 -0.000 0.000 0.197 234 E C 2.527 179.140 176.600 0.021 0.000 1.004 234 E CA 0.926 57.351 56.400 0.042 0.000 0.805 234 E CB -0.086 29.625 29.700 0.019 0.000 0.744 234 E HN 0.192 nan 8.360 nan 0.000 0.451 235 K N 0.402 120.778 120.400 -0.040 0.000 2.026 235 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 235 K C 2.141 178.713 176.600 -0.046 0.000 1.048 235 K CA 1.107 57.360 56.287 -0.056 0.000 0.929 235 K CB -0.243 32.194 32.500 -0.105 0.000 0.713 235 K HN 0.085 nan 8.250 nan 0.000 0.439 236 A N 1.536 124.306 122.820 -0.083 0.000 1.908 236 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 236 A C 2.126 179.784 177.584 0.122 0.000 1.181 236 A CA 1.987 53.967 52.037 -0.096 0.000 0.627 236 A CB -0.438 18.325 19.000 -0.395 0.000 0.818 236 A HN 0.355 nan 8.150 nan 0.000 0.445 237 K N -0.388 120.179 120.400 0.279 0.000 2.097 237 K HA -0.171 4.149 4.320 -0.000 0.000 0.206 237 K C 2.110 178.774 176.600 0.108 0.000 1.049 237 K CA 1.990 58.435 56.287 0.263 0.000 0.933 237 K CB -0.358 32.233 32.500 0.153 0.000 0.717 237 K HN 0.646 nan 8.250 nan 0.000 0.442 238 T N -1.346 113.244 114.554 0.060 0.000 2.962 238 T HA -0.057 4.293 4.350 -0.000 0.000 0.270 238 T C 1.310 176.019 174.700 0.015 0.000 1.088 238 T CA 0.991 63.105 62.100 0.024 0.000 1.127 238 T CB -0.037 68.834 68.868 0.006 0.000 0.883 238 T HN 0.245 nan 8.240 nan 0.000 0.493 239 K N 0.642 121.052 120.400 0.016 0.000 2.358 239 K HA 0.327 4.647 4.320 -0.000 0.000 0.197 239 K C -0.037 176.568 176.600 0.008 0.000 1.025 239 K CA -0.161 56.124 56.287 -0.004 0.000 1.104 239 K CB 0.765 33.245 32.500 -0.034 0.000 0.855 239 K HN 0.197 nan 8.250 nan 0.000 0.531 240 S N 0.627 116.354 115.700 0.045 0.000 2.536 240 S HA 0.266 4.736 4.470 -0.000 0.000 0.298 240 S C -1.117 173.516 174.600 0.054 0.000 1.083 240 S CA -0.651 57.586 58.200 0.063 0.000 0.995 240 S CB 2.522 65.817 63.200 0.158 0.000 1.058 240 S HN -0.045 nan 8.310 nan 0.000 0.488 241 Q N 0.985 120.808 119.800 0.039 0.000 2.290 241 Q HA 0.627 4.967 4.340 -0.000 0.000 0.269 241 Q C -0.276 175.742 176.000 0.031 0.000 1.016 241 Q CA -0.049 55.770 55.803 0.027 0.000 0.754 241 Q CB 1.062 29.807 28.738 0.011 0.000 1.247 241 Q HN 1.765 nan 8.270 nan 0.000 0.451 242 G N 2.071 110.892 108.800 0.034 0.000 2.712 242 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.686 242 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.686 242 G C 0.209 175.156 174.900 0.079 0.000 1.181 242 G CA -0.257 44.866 45.100 0.039 0.000 0.762 242 G HN 0.783 nan 8.290 nan 0.000 0.641 243 L N 1.357 122.627 121.223 0.079 0.000 2.027 243 L HA 0.027 4.367 4.340 -0.000 0.000 0.206 243 L C 3.383 180.335 176.870 0.137 0.000 1.074 243 L CA 2.175 57.100 54.840 0.142 0.000 0.745 243 L CB -0.781 41.351 42.059 0.121 0.000 0.898 243 L HN 0.973 nan 8.230 nan 0.000 0.433 244 A N 0.128 122.985 122.820 0.062 0.000 1.892 244 A HA -0.338 3.982 4.320 -0.000 0.000 0.218 244 A C 1.973 179.533 177.584 -0.041 0.000 1.188 244 A CA 2.449 54.485 52.037 -0.002 0.000 0.631 244 A CB -0.783 18.215 19.000 -0.003 0.000 0.822 244 A HN 0.465 nan 8.150 nan 0.000 0.447 245 D N -1.653 118.747 120.400 -0.000 0.000 2.117 245 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 245 D C 1.646 177.932 176.300 -0.023 0.000 0.987 245 D CA 1.392 55.380 54.000 -0.019 0.000 0.829 245 D CB -0.291 40.513 40.800 0.006 0.000 0.961 245 D HN 0.382 nan 8.370 nan 0.000 0.460 246 F N 1.417 121.315 119.950 -0.087 0.000 2.095 246 F HA -0.134 4.393 4.527 -0.000 0.000 0.298 246 F C 2.377 178.063 175.800 -0.190 0.000 1.104 246 F CA 1.883 59.831 58.000 -0.087 0.000 1.232 246 F CB -0.372 38.621 39.000 -0.012 0.000 0.987 246 F HN -0.142 nan 8.300 nan 0.000 0.475 247 R N 0.168 120.423 120.500 -0.409 0.000 2.073 247 R HA -0.258 4.082 4.340 -0.000 0.000 0.234 247 R C 2.360 178.247 176.300 -0.689 0.000 1.134 247 R CA 1.926 57.424 56.100 -1.004 0.000 0.952 247 R CB -0.685 28.973 30.300 -1.071 0.000 0.850 247 R HN 0.398 nan 8.270 nan 0.000 0.433 248 Q N 0.874 120.431 119.800 -0.404 0.000 2.077 248 Q HA -0.178 4.162 4.340 -0.000 0.000 0.206 248 Q C 1.549 177.374 176.000 -0.291 0.000 0.989 248 Q CA 2.294 57.932 55.803 -0.275 0.000 0.853 248 Q CB -0.241 28.391 28.738 -0.176 0.000 0.907 248 Q HN 0.417 nan 8.270 nan 0.000 0.418 249 N N -1.122 117.384 118.700 -0.324 0.000 2.250 249 N HA -0.063 4.677 4.740 -0.000 0.000 0.181 249 N C 1.581 176.859 175.510 -0.387 0.000 1.017 249 N CA 1.533 54.401 53.050 -0.304 0.000 0.866 249 N CB -0.351 37.995 38.487 -0.236 0.000 0.985 249 N HN 0.298 nan 8.380 nan 0.000 0.429 250 T N 2.196 116.408 114.554 -0.571 0.000 2.684 250 T HA -0.034 4.316 4.350 -0.000 0.000 0.267 250 T C 2.129 176.610 174.700 -0.365 0.000 1.036 250 T CA 0.805 62.566 62.100 -0.566 0.000 1.148 250 T CB -0.223 68.226 68.868 -0.699 0.000 0.863 250 T HN 0.147 nan 8.240 nan 0.000 0.436 251 L N 0.904 121.966 121.223 -0.268 0.000 2.093 251 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 251 L C 2.618 179.394 176.870 -0.157 0.000 1.085 251 L CA 0.989 55.787 54.840 -0.070 0.000 0.755 251 L CB -0.601 41.486 42.059 0.047 0.000 0.904 251 L HN 0.221 nan 8.230 nan 0.000 0.435 252 N N -0.220 118.326 118.700 -0.257 0.000 2.120 252 N HA -0.205 4.535 4.740 -0.000 0.000 0.188 252 N C 1.920 177.263 175.510 -0.279 0.000 1.024 252 N CA 1.158 54.022 53.050 -0.311 0.000 0.852 252 N CB 0.005 38.336 38.487 -0.260 0.000 1.003 252 N HN 0.171 nan 8.380 nan 0.000 0.424 253 Q N 0.177 119.814 119.800 -0.271 0.000 2.291 253 Q HA -0.051 4.289 4.340 -0.000 0.000 0.206 253 Q C 2.084 177.911 176.000 -0.289 0.000 0.976 253 Q CA 0.502 56.135 55.803 -0.282 0.000 0.875 253 Q CB -0.300 28.241 28.738 -0.329 0.000 0.927 253 Q HN 0.519 nan 8.270 nan 0.000 0.450 254 L N 0.542 121.634 121.223 -0.219 0.000 2.081 254 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 254 L C 2.317 179.169 176.870 -0.030 0.000 1.080 254 L CA 1.704 56.508 54.840 -0.060 0.000 0.754 254 L CB -0.529 41.606 42.059 0.127 0.000 0.893 254 L HN 0.244 nan 8.230 nan 0.000 0.433 255 S N -1.615 114.013 115.700 -0.120 0.000 2.528 255 S HA 0.095 4.565 4.470 -0.000 0.000 0.219 255 S C 1.612 176.133 174.600 -0.133 0.000 0.985 255 S CA 0.001 58.126 58.200 -0.125 0.000 0.914 255 S CB 0.118 63.210 63.200 -0.181 0.000 0.776 255 S HN 0.357 nan 8.310 nan 0.000 0.526 256 L N -0.275 120.860 121.223 -0.148 0.000 2.433 256 L HA 0.416 4.756 4.340 -0.000 0.000 0.200 256 L C 1.121 177.924 176.870 -0.110 0.000 1.059 256 L CA -0.221 54.544 54.840 -0.125 0.000 0.835 256 L CB -0.416 41.562 42.059 -0.135 0.000 1.076 256 L HN 0.273 nan 8.230 nan 0.000 0.481 260 E N 2.325 122.607 120.200 0.137 0.000 2.220 260 E HA 0.049 4.399 4.350 -0.000 0.000 0.272 260 E C 1.051 177.789 176.600 0.230 0.000 1.099 260 E CA 0.447 56.936 56.400 0.147 0.000 0.907 260 E CB 0.956 30.734 29.700 0.129 0.000 1.022 260 E HN 0.309 nan 8.360 nan 0.000 0.428 261 K N 3.433 123.922 120.400 0.149 0.000 2.228 261 K HA -0.196 4.124 4.320 -0.000 0.000 0.205 261 K C 0.831 177.468 176.600 0.061 0.000 1.045 261 K CA 2.210 58.593 56.287 0.161 0.000 0.931 261 K CB -0.582 31.975 32.500 0.094 0.000 0.727 261 K HN 0.608 nan 8.250 nan 0.000 0.458 262 D N -1.871 118.431 120.400 -0.164 0.000 2.696 262 D HA -0.042 4.598 4.640 -0.000 0.000 0.269 262 D C 1.298 177.149 176.300 -0.748 0.000 1.319 262 D CA -0.141 53.432 54.000 -0.710 0.000 0.826 262 D CB -1.108 39.438 40.800 -0.424 0.000 1.086 262 D HN 0.715 nan 8.370 nan 0.000 0.481 263 W N 1.408 122.497 121.300 -0.353 0.000 2.325 263 W HA -0.212 4.448 4.660 -0.000 0.000 0.299 263 W C 0.921 177.319 176.519 -0.202 0.000 1.215 263 W CA 0.711 57.962 57.345 -0.157 0.000 1.244 263 W CB -1.523 27.984 29.460 0.078 0.000 1.140 263 W HN 0.034 nan 8.180 nan 0.000 0.523 264 F N 1.076 120.396 119.950 -1.050 0.000 2.604 264 F HA 0.182 4.709 4.527 -0.000 0.000 0.298 264 F C 1.898 177.320 175.800 -0.629 0.000 1.131 264 F CA 1.064 58.295 58.000 -1.281 0.000 1.457 264 F CB -1.330 36.594 39.000 -1.793 0.000 1.095 264 F HN -0.113 nan 8.300 nan 0.000 0.574 265 E N 1.229 121.024 120.200 -0.675 0.000 2.267 265 E HA -0.091 4.259 4.350 -0.000 0.000 0.197 265 E C 2.166 178.662 176.600 -0.174 0.000 0.998 265 E CA 1.035 57.240 56.400 -0.325 0.000 0.830 265 E CB -0.269 29.232 29.700 -0.333 0.000 0.751 265 E HN 0.495 nan 8.360 nan 0.000 0.491 266 A N -0.026 122.700 122.820 -0.157 0.000 2.238 266 A HA 0.072 4.392 4.320 -0.000 0.000 0.208 266 A C 0.686 178.248 177.584 -0.037 0.000 1.177 266 A CA -0.092 51.907 52.037 -0.063 0.000 0.804 266 A CB 0.180 19.168 19.000 -0.019 0.000 0.823 266 A HN 0.028 nan 8.150 nan 0.000 0.482 267 V N 1.287 121.149 119.914 -0.087 0.000 2.599 267 V HA 0.041 4.161 4.120 -0.000 0.000 0.300 267 V C 0.201 176.310 176.094 0.025 0.000 1.034 267 V CA 0.582 62.856 62.300 -0.045 0.000 1.115 267 V CB 0.552 32.267 31.823 -0.179 0.000 0.934 267 V HN 0.421 nan 8.190 nan 0.000 0.485 268 K N 3.722 124.157 120.400 0.057 0.000 2.358 268 K HA 0.741 5.061 4.320 -0.000 0.000 0.260 268 K C 0.045 176.696 176.600 0.086 0.000 0.956 268 K CA -0.301 56.024 56.287 0.063 0.000 0.834 268 K CB 1.974 34.504 32.500 0.051 0.000 1.102 268 K HN 0.955 nan 8.250 nan 0.000 0.431 269 G N 2.219 111.073 108.800 0.089 0.000 2.442 269 G HA2 0.271 4.231 3.960 -0.000 0.000 0.296 269 G HA3 0.271 4.231 3.960 -0.000 0.000 0.296 269 G C -1.645 173.304 174.900 0.082 0.000 1.564 269 G CA -1.036 44.119 45.100 0.092 0.000 0.828 269 G HN 0.404 nan 8.290 nan 0.000 0.571 270 R N -0.345 120.196 120.500 0.067 0.000 2.474 270 R HA 0.633 4.973 4.340 -0.000 0.000 0.295 270 R C -0.231 176.099 176.300 0.051 0.000 0.980 270 R CA -0.731 55.401 56.100 0.054 0.000 0.934 270 R CB 2.347 32.673 30.300 0.043 0.000 1.101 270 R HN 0.302 nan 8.270 nan 0.000 0.469 271 V N 5.251 125.190 119.914 0.042 0.000 2.353 271 V HA 0.172 4.292 4.120 -0.000 0.000 0.264 271 V C 0.533 176.643 176.094 0.027 0.000 1.049 271 V CA -0.306 62.014 62.300 0.032 0.000 0.896 271 V CB 0.128 31.964 31.823 0.022 0.000 1.025 271 V HN 0.545 nan 8.190 nan 0.000 0.475 272 L N 0.000 121.240 121.223 0.028 0.000 2.949 272 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 272 L CA 0.000 54.854 54.840 0.024 0.000 0.813 272 L CB 0.000 42.074 42.059 0.025 0.000 0.961 272 L HN 0.000 nan 8.230 nan 0.000 0.502