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 2nyu_1_A DATA FIRST_RESID 1 DATA SEQUENCE SYRSRSAFKL LEVNERHQIL RPGLRVLDCG AAPGAWSQVA VQKVNAAGTD DATA SEQUENCE PSSPVGFVLG VDLLHIFPLE GATFLCPADV TDPRTSQRIL EVLPGRRADV DATA SEQUENCE ILSDMAPNAT GFRDLDHDRL ISLCLTLLSV TPDILQPGGT FLCKTWAGSQ DATA SEQUENCE SRRLQRRLTE EFQNVRIIKP XXXXXXXXEV YFLATQYHG 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.266 174.600 -0.557 0.000 1.055 1 S CA 0.000 58.028 58.200 -0.286 0.000 1.107 1 S CB 0.000 63.117 63.200 -0.139 0.000 0.593 2 Y N 0.822 121.125 120.300 0.006 0.000 2.570 2 Y HA 0.593 5.144 4.550 0.001 0.000 0.345 2 Y C 1.596 177.481 175.900 -0.025 0.000 1.014 2 Y CA -1.366 56.702 58.100 -0.053 0.000 1.063 2 Y CB 1.410 39.753 38.460 -0.194 0.000 1.272 2 Y HN 0.684 nan 8.280 nan 0.000 0.477 3 R N 0.175 120.765 120.500 0.149 0.000 2.235 3 R HA 0.062 4.403 4.340 0.001 0.000 0.213 3 R C 0.009 176.348 176.300 0.065 0.000 1.059 3 R CA 0.841 56.987 56.100 0.076 0.000 0.997 3 R CB 0.206 30.541 30.300 0.058 0.000 0.884 3 R HN 0.400 nan 8.270 nan 0.000 0.462 4 S N -0.939 114.806 115.700 0.075 0.000 2.547 4 S HA 0.164 4.635 4.470 0.001 0.000 0.270 4 S C 0.282 174.906 174.600 0.039 0.000 1.150 4 S CA -1.012 57.217 58.200 0.049 0.000 0.850 4 S CB 1.314 64.516 63.200 0.004 0.000 1.118 4 S HN 0.310 nan 8.310 nan 0.000 0.461 5 R N 1.525 122.089 120.500 0.106 0.000 2.341 5 R HA -0.017 4.324 4.340 0.001 0.000 0.213 5 R C 1.510 177.872 176.300 0.103 0.000 1.082 5 R CA 1.858 58.080 56.100 0.202 0.000 1.017 5 R CB -0.756 29.719 30.300 0.291 0.000 0.860 5 R HN 0.537 nan 8.270 nan 0.000 0.473 6 S N 0.695 116.423 115.700 0.046 0.000 2.447 6 S HA -0.003 4.468 4.470 0.001 0.000 0.233 6 S C 2.230 176.932 174.600 0.171 0.000 1.006 6 S CA 0.488 58.769 58.200 0.135 0.000 0.957 6 S CB 0.008 63.212 63.200 0.007 0.000 0.773 6 S HN 0.487 nan 8.310 nan 0.000 0.507 7 A N 1.768 124.463 122.820 -0.209 0.000 1.927 7 A HA -0.048 4.273 4.320 0.001 0.000 0.220 7 A C 1.817 179.028 177.584 -0.622 0.000 1.185 7 A CA 1.772 53.420 52.037 -0.648 0.000 0.639 7 A CB -1.209 16.858 19.000 -1.555 0.000 0.820 7 A HN 0.570 nan 8.150 nan 0.000 0.451 8 F N 0.073 119.952 119.950 -0.118 0.000 2.293 8 F HA -0.071 4.457 4.527 0.001 0.000 0.300 8 F C 2.210 177.962 175.800 -0.081 0.000 1.086 8 F CA 1.484 59.431 58.000 -0.088 0.000 1.375 8 F CB -0.384 38.609 39.000 -0.011 0.000 1.045 8 F HN 0.161 nan 8.300 nan 0.000 0.516 9 K N -0.139 120.308 120.400 0.078 0.000 2.057 9 K HA -0.123 4.197 4.320 0.001 0.000 0.206 9 K C 1.996 178.454 176.600 -0.237 0.000 1.050 9 K CA 1.049 57.344 56.287 0.013 0.000 0.935 9 K CB -0.538 32.062 32.500 0.167 0.000 0.715 9 K HN 0.134 nan 8.250 nan 0.000 0.439 10 L N 1.426 122.393 121.223 -0.427 0.000 2.056 10 L HA -0.094 4.247 4.340 0.001 0.000 0.207 10 L C 1.842 178.450 176.870 -0.438 0.000 1.078 10 L CA 1.410 55.807 54.840 -0.738 0.000 0.749 10 L CB -0.287 40.998 42.059 -1.289 0.000 0.901 10 L HN 0.130 nan 8.230 nan 0.000 0.433 11 L N -0.532 120.500 121.223 -0.317 0.000 2.042 11 L HA -0.238 4.103 4.340 0.001 0.000 0.210 11 L C 2.647 179.447 176.870 -0.117 0.000 1.076 11 L CA 1.845 56.575 54.840 -0.183 0.000 0.749 11 L CB -0.624 41.375 42.059 -0.099 0.000 0.893 11 L HN 0.446 nan 8.230 nan 0.000 0.432 12 E N 0.043 120.189 120.200 -0.090 0.000 2.072 12 E HA -0.182 4.169 4.350 0.001 0.000 0.191 12 E C 2.235 178.787 176.600 -0.080 0.000 0.985 12 E CA 1.413 57.778 56.400 -0.058 0.000 0.801 12 E CB 0.142 29.832 29.700 -0.017 0.000 0.750 12 E HN 0.281 nan 8.360 nan 0.000 0.452 13 V N 1.759 121.601 119.914 -0.120 0.000 2.343 13 V HA -0.258 3.862 4.120 0.001 0.000 0.247 13 V C 2.362 178.443 176.094 -0.022 0.000 1.051 13 V CA 2.111 64.382 62.300 -0.049 0.000 1.036 13 V CB -0.787 30.900 31.823 -0.227 0.000 0.654 13 V HN 0.336 nan 8.190 nan 0.000 0.451 14 N N 0.039 118.667 118.700 -0.120 0.000 2.188 14 N HA -0.187 4.554 4.740 0.001 0.000 0.184 14 N C 1.766 177.231 175.510 -0.076 0.000 1.018 14 N CA 1.312 54.305 53.050 -0.094 0.000 0.858 14 N CB -0.151 38.257 38.487 -0.133 0.000 0.989 14 N HN 0.416 nan 8.380 nan 0.000 0.426 15 E N 0.725 120.872 120.200 -0.088 0.000 2.085 15 E HA -0.120 4.230 4.350 0.001 0.000 0.194 15 E C 1.810 178.334 176.600 -0.127 0.000 0.994 15 E CA 1.491 57.841 56.400 -0.084 0.000 0.801 15 E CB -0.040 29.620 29.700 -0.068 0.000 0.743 15 E HN 0.418 nan 8.360 nan 0.000 0.453 16 R N -1.326 119.045 120.500 -0.215 0.000 2.100 16 R HA 0.058 4.398 4.340 0.001 0.000 0.220 16 R C 2.129 178.150 176.300 -0.464 0.000 1.091 16 R CA 1.325 57.177 56.100 -0.413 0.000 0.986 16 R CB -0.163 29.742 30.300 -0.658 0.000 0.888 16 R HN 0.320 nan 8.270 nan 0.000 0.444 17 H N 0.174 119.217 119.070 -0.045 0.000 2.750 17 H HA 0.195 4.751 4.556 0.001 0.000 0.263 17 H C 0.022 175.331 175.328 -0.033 0.000 0.964 17 H CA 0.082 56.108 56.048 -0.037 0.000 1.205 17 H CB 0.593 30.328 29.762 -0.045 0.000 1.454 17 H HN 0.147 nan 8.280 nan 0.000 0.503 18 Q N 0.591 120.410 119.800 0.032 0.000 2.460 18 Q HA -0.145 4.195 4.340 0.001 0.000 0.311 18 Q C 0.958 176.969 176.000 0.018 0.000 1.396 18 Q CA 0.568 56.376 55.803 0.009 0.000 0.838 18 Q CB -1.813 26.929 28.738 0.008 0.000 1.140 18 Q HN 0.642 nan 8.270 nan 0.000 0.415 19 I N -4.097 116.476 120.570 0.005 0.000 3.645 19 I HA 0.165 4.336 4.170 0.001 0.000 0.300 19 I C 0.327 176.435 176.117 -0.015 0.000 1.260 19 I CA 0.188 61.488 61.300 -0.001 0.000 1.365 19 I CB 0.351 38.339 38.000 -0.021 0.000 1.077 19 I HN 0.088 nan 8.210 nan 0.000 0.439 20 L N 3.826 125.030 121.223 -0.032 0.000 2.333 20 L HA 0.642 4.982 4.340 0.001 0.000 0.280 20 L C -0.373 176.488 176.870 -0.016 0.000 1.004 20 L CA -0.577 54.245 54.840 -0.030 0.000 0.820 20 L CB 1.459 43.482 42.059 -0.061 0.000 1.247 20 L HN 0.324 nan 8.230 nan 0.000 0.416 21 R N 2.182 122.682 120.500 -0.001 0.000 2.734 21 R HA 0.629 4.970 4.340 0.001 0.000 0.271 21 R C -3.142 173.165 176.300 0.012 0.000 1.021 21 R CA -2.134 53.969 56.100 0.004 0.000 0.893 21 R CB 1.198 31.503 30.300 0.008 0.000 1.244 21 R HN 0.104 nan 8.270 nan 0.000 0.464 22 P HA -0.005 nan 4.420 nan 0.000 0.263 22 P C 0.558 177.873 177.300 0.024 0.000 1.175 22 P CA 2.230 65.340 63.100 0.016 0.000 0.761 22 P CB 0.536 32.244 31.700 0.014 0.000 0.794 23 G N 1.925 110.744 108.800 0.033 0.000 2.258 23 G HA2 -0.220 3.741 3.960 0.001 0.000 0.233 23 G HA3 -0.220 3.741 3.960 0.001 0.000 0.233 23 G C 0.045 174.977 174.900 0.053 0.000 1.006 23 G CA -0.426 44.699 45.100 0.042 0.000 0.620 23 G HN 0.458 nan 8.290 nan 0.000 0.511 24 L N 1.171 122.424 121.223 0.049 0.000 2.426 24 L HA 0.431 4.771 4.340 0.001 0.000 0.271 24 L C 1.010 177.932 176.870 0.087 0.000 1.169 24 L CA -0.325 54.549 54.840 0.058 0.000 0.836 24 L CB 0.538 42.624 42.059 0.044 0.000 1.112 24 L HN 0.194 nan 8.230 nan 0.000 0.465 25 R N 2.098 122.657 120.500 0.097 0.000 2.265 25 R HA 0.518 4.858 4.340 0.001 0.000 0.319 25 R C -1.014 175.361 176.300 0.125 0.000 1.006 25 R CA -0.549 55.641 56.100 0.149 0.000 0.880 25 R CB 1.482 31.844 30.300 0.104 0.000 1.077 25 R HN 0.300 nan 8.270 nan 0.000 0.454 26 V N 4.527 124.527 119.914 0.144 0.000 2.495 26 V HA 0.329 4.450 4.120 0.001 0.000 0.298 26 V C -0.808 175.356 176.094 0.117 0.000 1.031 26 V CA -0.967 61.391 62.300 0.096 0.000 0.871 26 V CB 1.785 33.640 31.823 0.054 0.000 0.988 26 V HN 0.486 nan 8.190 nan 0.000 0.432 27 L N 3.840 125.117 121.223 0.091 0.000 2.287 27 L HA 0.684 5.025 4.340 0.001 0.000 0.287 27 L C -0.669 176.248 176.870 0.079 0.000 1.022 27 L CA 0.117 55.012 54.840 0.092 0.000 0.814 27 L CB 1.402 43.506 42.059 0.075 0.000 1.217 27 L HN 0.697 nan 8.230 nan 0.000 0.420 28 D N 4.539 125.002 120.400 0.105 0.000 2.460 28 D HA 0.297 4.938 4.640 0.001 0.000 0.232 28 D C -1.050 175.302 176.300 0.086 0.000 1.079 28 D CA -0.136 53.941 54.000 0.129 0.000 0.864 28 D CB 0.618 41.527 40.800 0.182 0.000 1.048 28 D HN 0.622 nan 8.370 nan 0.000 0.523 29 C N 2.558 121.881 119.300 0.039 0.000 2.452 29 C HA 0.750 5.210 4.460 0.001 0.000 0.379 29 C C 1.405 176.358 174.990 -0.062 0.000 1.275 29 C CA -0.073 58.941 59.018 -0.007 0.000 2.056 29 C CB 0.259 27.983 27.740 -0.027 0.000 2.506 29 C HN 0.889 nan 8.230 nan 0.000 0.560 30 G N 2.486 111.242 108.800 -0.073 0.000 2.298 30 G HA2 -0.041 3.919 3.960 0.001 0.000 0.287 30 G HA3 -0.041 3.919 3.960 0.001 0.000 0.287 30 G C 0.717 175.519 174.900 -0.163 0.000 1.075 30 G CA 0.352 45.376 45.100 -0.126 0.000 0.960 30 G HN 1.300 nan 8.290 nan 0.000 0.502 31 A N -0.876 121.877 122.820 -0.111 0.000 2.119 31 A HA 0.638 4.959 4.320 0.001 0.000 0.216 31 A C 1.886 179.358 177.584 -0.187 0.000 1.152 31 A CA 1.849 53.824 52.037 -0.104 0.000 0.708 31 A CB -0.014 18.980 19.000 -0.011 0.000 0.805 31 A HN 2.240 nan 8.150 nan 0.000 0.460 32 A N 0.775 123.470 122.820 -0.208 0.000 2.425 32 A HA 0.486 4.807 4.320 0.001 0.000 0.249 32 A C -0.583 176.907 177.584 -0.158 0.000 1.084 32 A CA -0.768 51.142 52.037 -0.212 0.000 0.781 32 A CB 0.123 19.011 19.000 -0.185 0.000 1.019 32 A HN 0.281 nan 8.150 nan 0.000 0.490 33 P HA 0.129 nan 4.420 nan 0.000 0.236 33 P C 0.708 177.935 177.300 -0.122 0.000 1.177 33 P CA 1.244 64.288 63.100 -0.093 0.000 0.773 33 P CB 0.483 32.175 31.700 -0.014 0.000 0.878 34 G N -0.804 107.938 108.800 -0.098 0.000 2.174 34 G HA2 -0.009 3.952 3.960 0.001 0.000 0.140 34 G HA3 -0.009 3.952 3.960 0.001 0.000 0.140 34 G C 0.934 175.887 174.900 0.087 0.000 1.031 34 G CA 0.119 45.195 45.100 -0.039 0.000 0.728 34 G HN 0.434 nan 8.290 nan 0.000 0.496 35 A N -0.253 122.609 122.820 0.071 0.000 1.898 35 A HA 0.194 4.515 4.320 0.001 0.000 0.216 35 A C 1.961 179.639 177.584 0.156 0.000 1.181 35 A CA 2.095 54.200 52.037 0.113 0.000 0.620 35 A CB -0.467 18.556 19.000 0.039 0.000 0.819 35 A HN 0.550 nan 8.150 nan 0.000 0.442 36 W N 0.596 121.831 121.300 -0.108 0.000 2.388 36 W HA -0.034 4.627 4.660 0.001 0.000 0.294 36 W C 2.762 179.251 176.519 -0.050 0.000 1.212 36 W CA 1.002 58.277 57.345 -0.116 0.000 1.271 36 W CB -1.039 28.366 29.460 -0.092 0.000 1.126 36 W HN 0.293 nan 8.180 nan 0.000 0.535 37 S N -0.192 115.659 115.700 0.251 0.000 2.368 37 S HA -0.230 4.241 4.470 0.001 0.000 0.225 37 S C 1.732 176.424 174.600 0.154 0.000 1.030 37 S CA 1.498 59.824 58.200 0.211 0.000 0.999 37 S CB -0.345 63.065 63.200 0.350 0.000 0.844 37 S HN 0.380 nan 8.310 nan 0.000 0.459 38 Q N 0.297 120.206 119.800 0.181 0.000 2.061 38 Q HA -0.110 4.230 4.340 0.001 0.000 0.204 38 Q C 2.294 178.396 176.000 0.170 0.000 0.984 38 Q CA 1.568 57.489 55.803 0.196 0.000 0.846 38 Q CB -0.409 28.521 28.738 0.319 0.000 0.902 38 Q HN 0.368 nan 8.270 nan 0.000 0.421 39 V N 0.994 120.957 119.914 0.082 0.000 2.287 39 V HA -0.319 3.802 4.120 0.001 0.000 0.248 39 V C 2.280 178.358 176.094 -0.027 0.000 1.053 39 V CA 1.924 64.207 62.300 -0.029 0.000 1.027 39 V CB -1.077 30.596 31.823 -0.249 0.000 0.646 39 V HN 0.434 nan 8.190 nan 0.000 0.447 40 A N -0.314 122.490 122.820 -0.028 0.000 1.877 40 A HA -0.171 4.150 4.320 0.001 0.000 0.216 40 A C 2.409 179.983 177.584 -0.016 0.000 1.186 40 A CA 2.127 54.146 52.037 -0.030 0.000 0.620 40 A CB -0.781 18.215 19.000 -0.008 0.000 0.822 40 A HN 0.323 nan 8.150 nan 0.000 0.443 41 V N 0.079 119.989 119.914 -0.006 0.000 2.287 41 V HA -0.368 3.752 4.120 0.001 0.000 0.248 41 V C 2.696 178.785 176.094 -0.008 0.000 1.053 41 V CA 2.450 64.734 62.300 -0.026 0.000 1.027 41 V CB -0.999 30.808 31.823 -0.027 0.000 0.646 41 V HN 0.678 nan 8.190 nan 0.000 0.447 42 Q N -0.385 119.425 119.800 0.017 0.000 2.030 42 Q HA -0.202 4.139 4.340 0.001 0.000 0.204 42 Q C 2.352 178.356 176.000 0.007 0.000 0.986 42 Q CA 1.408 57.224 55.803 0.021 0.000 0.843 42 Q CB -0.244 28.526 28.738 0.055 0.000 0.904 42 Q HN 0.455 nan 8.270 nan 0.000 0.420 43 K N 0.307 120.705 120.400 -0.003 0.000 2.228 43 K HA -0.038 4.283 4.320 0.001 0.000 0.202 43 K C 1.898 178.493 176.600 -0.008 0.000 1.051 43 K CA 1.028 57.307 56.287 -0.012 0.000 0.960 43 K CB 0.100 32.580 32.500 -0.033 0.000 0.743 43 K HN 0.284 nan 8.250 nan 0.000 0.458 44 V N -1.321 118.589 119.914 -0.007 0.000 3.542 44 V HA 0.200 4.320 4.120 0.001 0.000 0.296 44 V C 0.219 176.317 176.094 0.007 0.000 1.364 44 V CA 0.148 62.450 62.300 0.004 0.000 1.118 44 V CB -0.909 30.921 31.823 0.012 0.000 0.972 44 V HN 0.314 nan 8.190 nan 0.000 0.430 45 N N 0.299 118.998 118.700 -0.000 0.000 2.735 45 N HA -0.248 4.493 4.740 0.001 0.000 0.248 45 N C 0.854 176.360 175.510 -0.007 0.000 1.083 45 N CA 1.039 54.089 53.050 -0.001 0.000 0.703 45 N CB -1.190 37.300 38.487 0.006 0.000 1.005 45 N HN 0.849 nan 8.380 nan 0.000 0.550 46 A N -0.597 122.207 122.820 -0.026 0.000 2.067 46 A HA 0.314 4.635 4.320 0.001 0.000 0.219 46 A C 2.147 179.693 177.584 -0.064 0.000 1.158 46 A CA 1.637 53.641 52.037 -0.055 0.000 0.661 46 A CB -0.416 18.509 19.000 -0.125 0.000 0.801 46 A HN 0.788 nan 8.150 nan 0.000 0.452 47 A N -1.883 120.908 122.820 -0.049 0.000 2.275 47 A HA 0.432 4.752 4.320 0.001 0.000 0.212 47 A C 1.765 179.336 177.584 -0.021 0.000 1.201 47 A CA 1.086 53.097 52.037 -0.043 0.000 0.843 47 A CB -0.769 18.207 19.000 -0.039 0.000 0.873 47 A HN 1.758 nan 8.150 nan 0.000 0.492 48 G N -1.302 107.491 108.800 -0.011 0.000 2.155 48 G HA2 -0.335 3.626 3.960 0.001 0.000 0.257 48 G HA3 -0.335 3.626 3.960 0.001 0.000 0.257 48 G C 0.962 175.861 174.900 -0.001 0.000 0.983 48 G CA 1.095 46.194 45.100 -0.001 0.000 0.676 48 G HN 0.474 nan 8.290 nan 0.000 0.528 49 T N -0.114 114.437 114.554 -0.005 0.000 2.760 49 T HA -0.095 4.256 4.350 0.001 0.000 0.269 49 T C 1.070 175.770 174.700 -0.001 0.000 1.047 49 T CA 1.830 63.928 62.100 -0.004 0.000 1.139 49 T CB -0.092 68.773 68.868 -0.005 0.000 0.855 49 T HN 0.618 nan 8.240 nan 0.000 0.471 50 D N 1.362 121.762 120.400 0.001 0.000 2.443 50 D HA 0.217 4.858 4.640 0.001 0.000 0.221 50 D C -1.916 174.387 176.300 0.005 0.000 1.097 50 D CA -2.802 51.200 54.000 0.003 0.000 0.865 50 D CB 1.487 42.289 40.800 0.004 0.000 1.034 50 D HN 0.014 nan 8.370 nan 0.000 0.511 51 P HA -0.080 nan 4.420 nan 0.000 0.228 51 P C 0.959 178.262 177.300 0.006 0.000 1.151 51 P CA 0.637 63.740 63.100 0.005 0.000 0.770 51 P CB 0.097 31.800 31.700 0.004 0.000 0.786 52 S N -3.018 112.685 115.700 0.006 0.000 2.593 52 S HA 0.186 4.657 4.470 0.001 0.000 0.217 52 S C 0.702 175.306 174.600 0.007 0.000 0.966 52 S CA -0.168 58.036 58.200 0.006 0.000 0.914 52 S CB -0.424 62.779 63.200 0.005 0.000 0.776 52 S HN -0.096 nan 8.310 nan 0.000 0.523 53 S N 2.248 117.953 115.700 0.009 0.000 2.549 53 S HA 0.638 5.108 4.470 0.001 0.000 0.280 53 S C -2.946 171.662 174.600 0.013 0.000 1.109 53 S CA -1.178 57.028 58.200 0.010 0.000 0.905 53 S CB 1.669 64.875 63.200 0.009 0.000 1.081 53 S HN 0.121 nan 8.310 nan 0.000 0.477 54 P HA 0.112 nan 4.420 nan 0.000 0.267 54 P C -1.167 176.148 177.300 0.025 0.000 1.201 54 P CA -0.254 62.858 63.100 0.021 0.000 0.775 54 P CB 0.338 32.051 31.700 0.022 0.000 0.854 55 V N 3.028 122.961 119.914 0.032 0.000 2.350 55 V HA 0.456 4.577 4.120 0.001 0.000 0.276 55 V C 1.090 177.221 176.094 0.062 0.000 1.028 55 V CA -0.039 62.283 62.300 0.038 0.000 0.860 55 V CB 0.706 32.552 31.823 0.038 0.000 0.990 55 V HN 0.757 nan 8.190 nan 0.000 0.453 56 G N 3.147 111.982 108.800 0.058 0.000 2.494 56 G HA2 0.559 4.520 3.960 0.001 0.000 0.270 56 G HA3 0.559 4.520 3.960 0.001 0.000 0.270 56 G C -1.227 173.767 174.900 0.156 0.000 1.423 56 G CA -0.208 44.947 45.100 0.091 0.000 1.055 56 G HN 0.499 nan 8.290 nan 0.000 0.536 57 F N -1.591 118.350 119.950 -0.015 0.000 2.608 57 F HA 0.559 5.086 4.527 0.001 0.000 0.309 57 F C -1.051 174.733 175.800 -0.028 0.000 1.103 57 F CA -0.736 57.249 58.000 -0.025 0.000 0.954 57 F CB 2.302 41.290 39.000 -0.020 0.000 1.267 57 F HN 0.349 nan 8.300 nan 0.000 0.444 58 V N 6.072 125.666 119.914 -0.533 0.000 2.569 58 V HA 0.514 4.635 4.120 0.001 0.000 0.301 58 V C -1.458 174.421 176.094 -0.359 0.000 1.044 58 V CA -0.659 61.482 62.300 -0.266 0.000 0.874 58 V CB 1.732 33.428 31.823 -0.212 0.000 1.002 58 V HN 0.637 nan 8.190 nan 0.000 0.424 59 L N 4.836 126.044 121.223 -0.024 0.000 2.343 59 L HA 0.948 5.289 4.340 0.001 0.000 0.278 59 L C 0.268 177.201 176.870 0.105 0.000 0.996 59 L CA 0.215 55.073 54.840 0.031 0.000 0.831 59 L CB 1.513 43.711 42.059 0.231 0.000 1.232 59 L HN 0.687 nan 8.230 nan 0.000 0.413 60 G N 4.222 113.145 108.800 0.205 0.000 2.371 60 G HA2 0.630 4.591 3.960 0.001 0.000 0.326 60 G HA3 0.630 4.591 3.960 0.001 0.000 0.326 60 G C -1.492 173.581 174.900 0.289 0.000 1.127 60 G CA -0.496 44.827 45.100 0.372 0.000 0.885 60 G HN 0.529 nan 8.290 nan 0.000 0.477 61 V N 2.080 122.075 119.914 0.136 0.000 2.638 61 V HA 0.613 4.734 4.120 0.001 0.000 0.306 61 V C -0.930 175.165 176.094 0.001 0.000 1.052 61 V CA -0.786 61.556 62.300 0.071 0.000 0.885 61 V CB 1.967 33.826 31.823 0.060 0.000 0.999 61 V HN 0.827 nan 8.190 nan 0.000 0.424 62 D N 1.996 122.379 120.400 -0.029 0.000 2.609 62 D HA 0.387 5.028 4.640 0.001 0.000 0.239 62 D C 0.570 176.842 176.300 -0.047 0.000 1.229 62 D CA -0.575 53.388 54.000 -0.061 0.000 0.808 62 D CB 2.729 43.460 40.800 -0.115 0.000 1.448 62 D HN 0.326 nan 8.370 nan 0.000 0.433 63 L N 0.765 121.962 121.223 -0.044 0.000 2.131 63 L HA 0.000 4.341 4.340 0.001 0.000 0.210 63 L C 0.996 177.845 176.870 -0.036 0.000 1.092 63 L CA 1.038 55.859 54.840 -0.032 0.000 0.759 63 L CB -0.198 41.843 42.059 -0.030 0.000 0.903 63 L HN 0.177 nan 8.230 nan 0.000 0.435 64 L N -1.394 119.796 121.223 -0.055 0.000 2.379 64 L HA 0.234 4.575 4.340 0.001 0.000 0.269 64 L C 0.214 177.037 176.870 -0.078 0.000 1.084 64 L CA -0.898 53.910 54.840 -0.052 0.000 0.802 64 L CB 0.718 42.741 42.059 -0.060 0.000 1.175 64 L HN -0.018 nan 8.230 nan 0.000 0.448 65 H N 1.864 120.839 119.070 -0.158 0.000 2.897 65 H HA 0.301 4.857 4.556 0.001 0.000 0.347 65 H C -0.836 174.314 175.328 -0.297 0.000 1.068 65 H CA 0.327 56.237 56.048 -0.230 0.000 1.426 65 H CB 0.431 30.022 29.762 -0.284 0.000 1.410 65 H HN 0.319 nan 8.280 nan 0.000 0.597 66 I N 5.809 125.763 120.570 -1.025 0.000 2.406 66 I HA 0.144 4.315 4.170 0.001 0.000 0.290 66 I C -0.477 175.026 176.117 -1.023 0.000 0.999 66 I CA -0.753 59.989 61.300 -0.930 0.000 1.124 66 I CB 0.984 38.315 38.000 -1.115 0.000 1.289 66 I HN 0.454 nan 8.210 nan 0.000 0.441 67 F N 6.456 126.111 119.950 -0.491 0.000 2.518 67 F HA 0.208 4.735 4.527 0.001 0.000 0.359 67 F C -1.683 174.115 175.800 -0.003 0.000 1.118 67 F CA -1.275 56.634 58.000 -0.150 0.000 1.287 67 F CB -0.121 38.870 39.000 -0.015 0.000 1.132 67 F HN 0.218 nan 8.300 nan 0.000 0.587 68 P HA 0.055 nan 4.420 nan 0.000 0.265 68 P C -1.081 176.404 177.300 0.307 0.000 1.187 68 P CA 0.111 63.404 63.100 0.320 0.000 0.766 68 P CB 0.523 32.349 31.700 0.210 0.000 0.820 69 L N 2.231 123.633 121.223 0.298 0.000 2.409 69 L HA 0.410 4.750 4.340 0.001 0.000 0.272 69 L C -0.429 176.448 176.870 0.012 0.000 0.980 69 L CA -1.019 53.925 54.840 0.173 0.000 0.826 69 L CB 1.822 44.051 42.059 0.283 0.000 1.268 69 L HN 0.133 nan 8.230 nan 0.000 0.407 70 E N 3.728 123.932 120.200 0.006 0.000 2.493 70 E HA 0.438 4.789 4.350 0.001 0.000 0.255 70 E C 1.023 177.574 176.600 -0.081 0.000 0.999 70 E CA 1.405 57.783 56.400 -0.037 0.000 0.934 70 E CB 0.235 29.925 29.700 -0.017 0.000 0.940 70 E HN 0.889 nan 8.360 nan 0.000 0.473 71 G N 2.341 111.059 108.800 -0.137 0.000 2.176 71 G HA2 -0.119 3.842 3.960 0.001 0.000 0.232 71 G HA3 -0.119 3.842 3.960 0.001 0.000 0.232 71 G C 0.137 174.840 174.900 -0.328 0.000 0.986 71 G CA 0.017 45.005 45.100 -0.187 0.000 0.643 71 G HN 0.977 nan 8.290 nan 0.000 0.522 72 A N -0.574 122.001 122.820 -0.409 0.000 2.413 72 A HA 0.909 5.230 4.320 0.001 0.000 0.307 72 A C -0.092 177.023 177.584 -0.782 0.000 1.087 72 A CA 0.319 51.959 52.037 -0.662 0.000 0.750 72 A CB 1.639 20.191 19.000 -0.747 0.000 1.296 72 A HN 0.663 nan 8.150 nan 0.000 0.423 73 T N 1.361 115.445 114.554 -0.783 0.000 2.855 73 T HA 0.685 5.035 4.350 0.001 0.000 0.281 73 T C -1.259 173.094 174.700 -0.578 0.000 1.007 73 T CA 0.166 61.959 62.100 -0.512 0.000 1.009 73 T CB 0.325 69.089 68.868 -0.173 0.000 0.983 73 T HN 0.326 nan 8.240 nan 0.000 0.455 74 F N 1.788 121.723 119.950 -0.024 0.000 2.551 74 F HA 0.580 5.108 4.527 0.002 0.000 0.316 74 F C -0.344 175.448 175.800 -0.013 0.000 1.089 74 F CA -1.424 56.557 58.000 -0.030 0.000 0.915 74 F CB 1.331 40.287 39.000 -0.073 0.000 1.186 74 F HN 0.222 nan 8.300 nan 0.000 0.456 75 L N 4.105 125.455 121.223 0.212 0.000 2.295 75 L HA 0.663 5.004 4.340 0.001 0.000 0.281 75 L C -1.123 175.791 176.870 0.073 0.000 1.018 75 L CA -0.448 54.461 54.840 0.115 0.000 0.841 75 L CB 0.819 42.933 42.059 0.091 0.000 1.218 75 L HN 0.777 nan 8.230 nan 0.000 0.424 76 C N 1.460 120.789 119.300 0.048 0.000 3.090 76 C HA 0.656 5.117 4.460 0.001 0.000 0.347 76 C C -2.557 172.451 174.990 0.031 0.000 1.147 76 C CA -1.599 57.424 59.018 0.009 0.000 1.305 76 C CB 1.160 28.861 27.740 -0.065 0.000 1.692 76 C HN 0.560 nan 8.230 nan 0.000 0.506 77 P HA 0.549 nan 4.420 nan 0.000 0.276 77 P C -0.526 176.780 177.300 0.010 0.000 1.230 77 P CA 0.457 63.560 63.100 0.005 0.000 0.776 77 P CB 1.160 32.861 31.700 0.002 0.000 0.888 78 A N 1.674 124.497 122.820 0.005 0.000 2.500 78 A HA 0.333 4.653 4.320 0.001 0.000 0.291 78 A C -1.124 176.465 177.584 0.007 0.000 1.048 78 A CA -0.664 51.380 52.037 0.012 0.000 0.791 78 A CB 1.025 20.040 19.000 0.025 0.000 1.309 78 A HN 0.513 nan 8.150 nan 0.000 0.397 79 D N 2.737 123.142 120.400 0.008 0.000 2.316 79 D HA 0.279 4.919 4.640 0.001 0.000 0.245 79 D C 1.208 177.516 176.300 0.014 0.000 1.171 79 D CA -0.084 53.920 54.000 0.006 0.000 0.856 79 D CB 1.579 42.383 40.800 0.006 0.000 1.090 79 D HN 0.188 nan 8.370 nan 0.000 0.476 80 V N 3.496 123.418 119.914 0.013 0.000 2.688 80 V HA -0.226 3.895 4.120 0.001 0.000 0.256 80 V C 2.357 178.469 176.094 0.031 0.000 1.084 80 V CA 2.324 64.637 62.300 0.023 0.000 1.103 80 V CB -0.903 30.931 31.823 0.018 0.000 0.688 80 V HN 0.785 nan 8.190 nan 0.000 0.480 81 T N -3.132 111.438 114.554 0.027 0.000 3.081 81 T HA 0.005 4.355 4.350 0.001 0.000 0.250 81 T C 0.706 175.423 174.700 0.027 0.000 1.100 81 T CA 0.092 62.211 62.100 0.031 0.000 1.038 81 T CB -0.156 68.728 68.868 0.027 0.000 0.962 81 T HN 0.399 nan 8.240 nan 0.000 0.516 82 D N 2.697 123.111 120.400 0.023 0.000 2.348 82 D HA 0.209 4.850 4.640 0.001 0.000 0.253 82 D C -1.577 174.738 176.300 0.025 0.000 1.161 82 D CA -2.459 51.554 54.000 0.021 0.000 0.876 82 D CB 1.783 42.594 40.800 0.018 0.000 1.160 82 D HN -0.009 nan 8.370 nan 0.000 0.459 83 P HA -0.163 nan 4.420 nan 0.000 0.218 83 P C 1.291 178.606 177.300 0.024 0.000 1.146 83 P CA 1.004 64.118 63.100 0.025 0.000 0.813 83 P CB 0.152 31.865 31.700 0.022 0.000 0.778 84 R N -0.569 119.944 120.500 0.021 0.000 2.075 84 R HA -0.088 4.253 4.340 0.001 0.000 0.232 84 R C 1.790 178.105 176.300 0.025 0.000 1.126 84 R CA 1.901 58.014 56.100 0.021 0.000 0.963 84 R CB -0.912 29.399 30.300 0.018 0.000 0.858 84 R HN 0.070 nan 8.270 nan 0.000 0.435 85 T N 0.494 115.064 114.554 0.026 0.000 2.699 85 T HA -0.139 4.212 4.350 0.001 0.000 0.268 85 T C 1.895 176.616 174.700 0.035 0.000 1.036 85 T CA 1.893 64.012 62.100 0.031 0.000 1.147 85 T CB -0.230 68.656 68.868 0.030 0.000 0.862 85 T HN 0.330 nan 8.240 nan 0.000 0.446 86 S N 1.250 116.971 115.700 0.034 0.000 2.368 86 S HA -0.139 4.332 4.470 0.001 0.000 0.225 86 S C 2.208 176.827 174.600 0.031 0.000 1.030 86 S CA 0.804 59.025 58.200 0.036 0.000 0.999 86 S CB -0.342 62.881 63.200 0.038 0.000 0.844 86 S HN 0.366 nan 8.310 nan 0.000 0.459 87 Q N 1.329 121.145 119.800 0.027 0.000 2.084 87 Q HA -0.007 4.334 4.340 0.001 0.000 0.202 87 Q C 2.292 178.306 176.000 0.022 0.000 0.978 87 Q CA 1.331 57.147 55.803 0.022 0.000 0.844 87 Q CB -0.415 28.334 28.738 0.019 0.000 0.898 87 Q HN 0.552 nan 8.270 nan 0.000 0.426 88 R N -0.070 120.446 120.500 0.027 0.000 2.105 88 R HA -0.080 4.261 4.340 0.001 0.000 0.239 88 R C 2.415 178.737 176.300 0.036 0.000 1.135 88 R CA 1.155 57.273 56.100 0.031 0.000 0.967 88 R CB -0.415 29.906 30.300 0.036 0.000 0.861 88 R HN 0.251 nan 8.270 nan 0.000 0.442 89 I N 0.760 121.354 120.570 0.039 0.000 2.179 89 I HA -0.292 3.879 4.170 0.001 0.000 0.242 89 I C 2.198 178.330 176.117 0.024 0.000 1.088 89 I CA 1.341 62.668 61.300 0.045 0.000 1.357 89 I CB -0.233 37.797 38.000 0.050 0.000 1.051 89 I HN 0.132 nan 8.210 nan 0.000 0.409 90 L N 0.192 121.425 121.223 0.017 0.000 2.083 90 L HA -0.218 4.123 4.340 0.001 0.000 0.209 90 L C 2.385 179.245 176.870 -0.016 0.000 1.083 90 L CA 1.418 56.258 54.840 0.001 0.000 0.752 90 L CB -0.570 41.494 42.059 0.008 0.000 0.899 90 L HN 0.281 nan 8.230 nan 0.000 0.433 91 E N -0.706 119.491 120.200 -0.006 0.000 2.204 91 E HA -0.140 4.211 4.350 0.001 0.000 0.194 91 E C 2.087 178.670 176.600 -0.028 0.000 0.989 91 E CA 0.872 57.265 56.400 -0.012 0.000 0.824 91 E CB 0.218 29.920 29.700 0.003 0.000 0.756 91 E HN 0.319 nan 8.360 nan 0.000 0.477 92 V N 0.793 120.692 119.914 -0.024 0.000 3.085 92 V HA 0.024 4.145 4.120 0.001 0.000 0.245 92 V C 0.971 176.948 176.094 -0.196 0.000 1.114 92 V CA 0.199 62.481 62.300 -0.031 0.000 1.108 92 V CB 0.124 31.990 31.823 0.072 0.000 0.798 92 V HN 0.139 nan 8.190 nan 0.000 0.471 93 L N 2.322 123.438 121.223 -0.180 0.000 2.455 93 L HA 0.190 4.531 4.340 0.001 0.000 0.272 93 L C -2.189 174.451 176.870 -0.383 0.000 1.174 93 L CA -1.442 53.197 54.840 -0.334 0.000 0.869 93 L CB 0.114 42.096 42.059 -0.129 0.000 1.130 93 L HN 0.088 nan 8.230 nan 0.000 0.474 94 P HA -0.027 nan 4.420 nan 0.000 0.261 94 P C 0.720 177.914 177.300 -0.178 0.000 1.183 94 P CA 0.765 63.663 63.100 -0.337 0.000 0.761 94 P CB 0.583 32.080 31.700 -0.339 0.000 0.785 95 G N 3.921 112.650 108.800 -0.118 0.000 2.155 95 G HA2 -0.380 3.581 3.960 0.001 0.000 0.257 95 G HA3 -0.380 3.581 3.960 0.001 0.000 0.257 95 G C 0.505 175.373 174.900 -0.052 0.000 0.983 95 G CA 0.258 45.318 45.100 -0.067 0.000 0.676 95 G HN 0.659 nan 8.290 nan 0.000 0.528 96 R N -2.073 118.385 120.500 -0.070 0.000 3.627 96 R HA -0.205 4.136 4.340 0.001 0.000 0.281 96 R C 0.485 176.773 176.300 -0.020 0.000 1.140 96 R CA 1.717 57.791 56.100 -0.043 0.000 0.761 96 R CB -1.323 28.963 30.300 -0.023 0.000 1.181 96 R HN 0.610 nan 8.270 nan 0.000 0.472 97 R N -0.689 119.796 120.500 -0.025 0.000 2.739 97 R HA 0.739 5.080 4.340 0.001 0.000 0.271 97 R C -0.796 175.510 176.300 0.009 0.000 1.010 97 R CA -0.375 55.729 56.100 0.007 0.000 0.897 97 R CB 1.936 32.251 30.300 0.024 0.000 1.236 97 R HN 0.134 nan 8.270 nan 0.000 0.466 98 A N 0.374 123.216 122.820 0.037 0.000 2.337 98 A HA 0.469 4.789 4.320 0.001 0.000 0.331 98 A C -0.030 177.594 177.584 0.066 0.000 1.137 98 A CA -0.525 51.545 52.037 0.055 0.000 0.807 98 A CB 0.853 19.893 19.000 0.066 0.000 1.250 98 A HN 0.666 nan 8.150 nan 0.000 0.468 99 D N -0.185 120.258 120.400 0.072 0.000 2.301 99 D HA 0.142 4.783 4.640 0.001 0.000 0.206 99 D C -0.130 176.223 176.300 0.089 0.000 0.979 99 D CA 1.305 55.353 54.000 0.080 0.000 0.874 99 D CB 0.599 41.441 40.800 0.069 0.000 0.968 99 D HN 0.207 nan 8.370 nan 0.000 0.510 100 V N 1.730 121.689 119.914 0.074 0.000 2.623 100 V HA 0.349 4.469 4.120 0.001 0.000 0.304 100 V C -0.386 175.735 176.094 0.045 0.000 1.054 100 V CA -0.694 61.643 62.300 0.061 0.000 0.882 100 V CB 2.757 34.597 31.823 0.028 0.000 1.002 100 V HN -0.112 nan 8.190 nan 0.000 0.424 101 I N 5.553 126.141 120.570 0.030 0.000 2.339 101 I HA 0.468 4.639 4.170 0.001 0.000 0.290 101 I C -0.631 175.399 176.117 -0.145 0.000 0.994 101 I CA -0.323 60.952 61.300 -0.043 0.000 1.191 101 I CB 1.406 39.378 38.000 -0.046 0.000 1.343 101 I HN 0.354 nan 8.210 nan 0.000 0.458 102 L N 5.317 126.501 121.223 -0.065 0.000 2.325 102 L HA 0.558 4.899 4.340 0.001 0.000 0.278 102 L C -0.063 176.832 176.870 0.041 0.000 1.023 102 L CA -0.440 54.413 54.840 0.021 0.000 0.811 102 L CB 1.921 44.077 42.059 0.162 0.000 1.249 102 L HN 0.495 nan 8.230 nan 0.000 0.431 103 S N 0.626 116.375 115.700 0.081 0.000 2.672 103 S HA 0.295 4.766 4.470 0.001 0.000 0.291 103 S C -0.720 173.860 174.600 -0.034 0.000 1.145 103 S CA -0.533 57.657 58.200 -0.016 0.000 1.013 103 S CB 1.287 64.400 63.200 -0.146 0.000 1.017 103 S HN 0.686 nan 8.310 nan 0.000 0.487 104 D N 4.249 124.471 120.400 -0.297 0.000 2.696 104 D HA 0.320 4.961 4.640 0.001 0.000 0.269 104 D C 0.006 176.123 176.300 -0.305 0.000 1.319 104 D CA -0.110 53.587 54.000 -0.506 0.000 0.826 104 D CB 0.131 40.157 40.800 -1.290 0.000 1.086 104 D HN 0.578 nan 8.370 nan 0.000 0.481 105 M N 0.913 120.406 119.600 -0.178 0.000 2.233 105 M HA 0.503 4.983 4.480 0.001 0.000 0.350 105 M C -0.016 176.224 176.300 -0.100 0.000 1.176 105 M CA -0.105 55.120 55.300 -0.125 0.000 1.150 105 M CB 1.588 34.143 32.600 -0.076 0.000 1.530 105 M HN 0.078 nan 8.290 nan 0.000 0.459 106 A N 3.635 126.403 122.820 -0.087 0.000 2.549 106 A HA 0.840 5.161 4.320 0.001 0.000 0.297 106 A C -2.692 174.863 177.584 -0.047 0.000 1.061 106 A CA -1.233 50.768 52.037 -0.061 0.000 0.690 106 A CB 0.944 19.904 19.000 -0.066 0.000 1.287 106 A HN 0.598 nan 8.150 nan 0.000 0.402 107 P HA 0.082 nan 4.420 nan 0.000 0.272 107 P C -0.466 176.814 177.300 -0.033 0.000 1.230 107 P CA -0.474 62.609 63.100 -0.028 0.000 0.788 107 P CB 0.522 32.210 31.700 -0.020 0.000 0.949 108 N N 0.149 118.831 118.700 -0.031 0.000 2.492 108 N HA 0.151 4.891 4.740 0.001 0.000 0.262 108 N C -0.132 175.356 175.510 -0.036 0.000 1.202 108 N CA -0.217 52.813 53.050 -0.034 0.000 0.926 108 N CB 0.667 39.136 38.487 -0.030 0.000 1.078 108 N HN 0.474 nan 8.380 nan 0.000 0.454 109 A N 2.329 125.122 122.820 -0.045 0.000 2.445 109 A HA 0.141 4.462 4.320 0.001 0.000 0.242 109 A C 1.259 178.800 177.584 -0.072 0.000 1.075 109 A CA 0.132 52.133 52.037 -0.060 0.000 0.777 109 A CB 0.179 19.141 19.000 -0.063 0.000 1.013 109 A HN 0.819 nan 8.150 nan 0.000 0.493 110 T N -1.717 112.781 114.554 -0.093 0.000 2.975 110 T HA 0.444 4.794 4.350 0.001 0.000 0.257 110 T C 1.323 175.834 174.700 -0.315 0.000 1.003 110 T CA 1.051 63.078 62.100 -0.122 0.000 0.932 110 T CB 0.177 69.058 68.868 0.022 0.000 1.087 110 T HN 2.422 nan 8.240 nan 0.000 0.512 111 G N 1.298 109.921 108.800 -0.296 0.000 2.176 111 G HA2 -0.192 3.768 3.960 0.001 0.000 0.253 111 G HA3 -0.192 3.768 3.960 0.001 0.000 0.253 111 G C -0.231 174.364 174.900 -0.509 0.000 0.979 111 G CA -0.083 44.776 45.100 -0.401 0.000 0.641 111 G HN 0.529 nan 8.290 nan 0.000 0.530 112 F N 1.574 121.448 119.950 -0.126 0.000 2.334 112 F HA 0.592 5.119 4.527 0.001 0.000 0.367 112 F C 1.618 177.270 175.800 -0.246 0.000 1.115 112 F CA -0.979 56.929 58.000 -0.153 0.000 1.116 112 F CB 0.990 39.916 39.000 -0.123 0.000 1.230 112 F HN -0.055 nan 8.300 nan 0.000 0.484 113 R N 0.855 121.267 120.500 -0.147 0.000 2.061 113 R HA -0.118 4.223 4.340 0.001 0.000 0.230 113 R C 1.235 177.088 176.300 -0.745 0.000 1.140 113 R CA 1.599 57.415 56.100 -0.473 0.000 0.940 113 R CB -0.126 29.964 30.300 -0.350 0.000 0.839 113 R HN 0.490 nan 8.270 nan 0.000 0.429 114 D N 0.955 121.106 120.400 -0.415 0.000 2.116 114 D HA -0.180 4.460 4.640 0.001 0.000 0.193 114 D C 1.844 177.986 176.300 -0.263 0.000 0.998 114 D CA 0.858 54.657 54.000 -0.336 0.000 0.836 114 D CB -0.224 40.476 40.800 -0.167 0.000 0.951 114 D HN 0.071 nan 8.370 nan 0.000 0.449 115 L N 0.757 121.877 121.223 -0.171 0.000 2.012 115 L HA -0.207 4.134 4.340 0.001 0.000 0.210 115 L C 1.491 178.292 176.870 -0.114 0.000 1.073 115 L CA 1.717 56.495 54.840 -0.104 0.000 0.748 115 L CB -0.278 41.760 42.059 -0.035 0.000 0.891 115 L HN 0.013 nan 8.230 nan 0.000 0.431 116 D N -1.097 119.201 120.400 -0.170 0.000 2.117 116 D HA -0.199 4.442 4.640 0.001 0.000 0.197 116 D C 1.927 178.166 176.300 -0.103 0.000 0.987 116 D CA 1.405 55.319 54.000 -0.143 0.000 0.829 116 D CB -0.415 40.284 40.800 -0.167 0.000 0.961 116 D HN 0.559 nan 8.370 nan 0.000 0.460 117 H N 0.358 119.268 119.070 -0.268 0.000 2.321 117 H HA -0.085 4.472 4.556 0.001 0.000 0.300 117 H C 1.528 176.749 175.328 -0.178 0.000 1.087 117 H CA 0.975 56.810 56.048 -0.355 0.000 1.319 117 H CB 0.204 29.436 29.762 -0.883 0.000 1.379 117 H HN 0.046 nan 8.280 nan 0.000 0.501 118 D N 0.456 120.834 120.400 -0.036 0.000 2.117 118 D HA -0.094 4.546 4.640 0.001 0.000 0.197 118 D C 2.172 178.478 176.300 0.010 0.000 0.987 118 D CA 0.828 54.825 54.000 -0.005 0.000 0.829 118 D CB -0.174 40.610 40.800 -0.028 0.000 0.961 118 D HN 0.306 nan 8.370 nan 0.000 0.460 119 R N -0.083 120.412 120.500 -0.008 0.000 2.096 119 R HA -0.089 4.252 4.340 0.001 0.000 0.235 119 R C 2.219 178.526 176.300 0.013 0.000 1.127 119 R CA 0.487 56.587 56.100 0.000 0.000 0.968 119 R CB -0.387 29.906 30.300 -0.011 0.000 0.861 119 R HN 0.148 nan 8.270 nan 0.000 0.440 120 L N 1.197 122.430 121.223 0.017 0.000 2.017 120 L HA -0.129 4.212 4.340 0.001 0.000 0.208 120 L C 1.939 178.831 176.870 0.038 0.000 1.073 120 L CA 1.665 56.518 54.840 0.021 0.000 0.745 120 L CB -0.285 41.789 42.059 0.026 0.000 0.894 120 L HN 0.106 nan 8.230 nan 0.000 0.432 121 I N -1.175 119.430 120.570 0.059 0.000 2.226 121 I HA -0.291 3.880 4.170 0.001 0.000 0.245 121 I C 2.682 178.849 176.117 0.083 0.000 1.100 121 I CA 1.450 62.800 61.300 0.083 0.000 1.374 121 I CB -0.570 37.500 38.000 0.116 0.000 1.057 121 I HN 0.367 nan 8.210 nan 0.000 0.413 122 S N 0.985 116.722 115.700 0.063 0.000 2.370 122 S HA -0.200 4.271 4.470 0.001 0.000 0.226 122 S C 2.048 176.685 174.600 0.062 0.000 1.033 122 S CA 1.296 59.531 58.200 0.057 0.000 1.011 122 S CB -0.306 62.916 63.200 0.038 0.000 0.852 122 S HN 0.277 nan 8.310 nan 0.000 0.457 123 L N 1.674 122.928 121.223 0.052 0.000 2.012 123 L HA -0.072 4.269 4.340 0.001 0.000 0.210 123 L C 2.666 179.588 176.870 0.087 0.000 1.073 123 L CA 1.816 56.688 54.840 0.052 0.000 0.748 123 L CB -1.523 40.552 42.059 0.028 0.000 0.891 123 L HN 0.479 nan 8.230 nan 0.000 0.431 124 C N -0.912 118.453 119.300 0.107 0.000 2.413 124 C HA -0.188 4.273 4.460 0.001 0.000 0.276 124 C C 2.811 177.933 174.990 0.221 0.000 1.236 124 C CA 0.812 59.943 59.018 0.189 0.000 1.735 124 C CB -1.047 26.803 27.740 0.183 0.000 2.031 124 C HN 0.535 nan 8.230 nan 0.000 0.474 125 L N 0.137 121.451 121.223 0.153 0.000 2.083 125 L HA -0.169 4.172 4.340 0.001 0.000 0.209 125 L C 2.677 179.615 176.870 0.114 0.000 1.083 125 L CA 1.769 56.684 54.840 0.124 0.000 0.752 125 L CB -0.975 41.142 42.059 0.097 0.000 0.899 125 L HN 0.378 nan 8.230 nan 0.000 0.433 126 T N -0.064 114.553 114.554 0.105 0.000 2.821 126 T HA -0.150 4.201 4.350 0.001 0.000 0.267 126 T C 1.785 176.553 174.700 0.114 0.000 1.046 126 T CA 1.110 63.263 62.100 0.089 0.000 1.139 126 T CB -0.166 68.743 68.868 0.068 0.000 0.871 126 T HN 0.129 nan 8.240 nan 0.000 0.454 127 L N 1.216 122.530 121.223 0.153 0.000 2.056 127 L HA 0.113 4.454 4.340 0.001 0.000 0.207 127 L C 2.083 179.116 176.870 0.272 0.000 1.078 127 L CA 1.410 56.369 54.840 0.199 0.000 0.749 127 L CB -0.820 41.361 42.059 0.204 0.000 0.901 127 L HN 0.158 nan 8.230 nan 0.000 0.433 128 L N -0.439 120.948 121.223 0.273 0.000 2.191 128 L HA -0.128 4.213 4.340 0.001 0.000 0.212 128 L C 2.606 179.528 176.870 0.088 0.000 1.103 128 L CA 1.971 56.886 54.840 0.126 0.000 0.769 128 L CB -0.854 41.186 42.059 -0.032 0.000 0.908 128 L HN 0.598 nan 8.230 nan 0.000 0.438 129 S N -1.595 114.162 115.700 0.096 0.000 2.481 129 S HA -0.057 4.414 4.470 0.001 0.000 0.231 129 S C 1.569 176.215 174.600 0.076 0.000 0.996 129 S CA 0.737 58.982 58.200 0.076 0.000 0.942 129 S CB -0.786 62.454 63.200 0.067 0.000 0.768 129 S HN 0.386 nan 8.310 nan 0.000 0.520 130 V N -2.099 117.868 119.914 0.088 0.000 3.643 130 V HA 0.226 4.347 4.120 0.001 0.000 0.280 130 V C 1.830 177.970 176.094 0.076 0.000 1.351 130 V CA 0.714 63.061 62.300 0.078 0.000 1.073 130 V CB -1.059 30.808 31.823 0.073 0.000 0.863 130 V HN 0.336 nan 8.190 nan 0.000 0.436 131 T N 2.000 116.602 114.554 0.080 0.000 2.759 131 T HA -0.051 4.299 4.350 0.001 0.000 0.269 131 T C -0.142 174.549 174.700 -0.014 0.000 1.042 131 T CA 2.425 64.538 62.100 0.021 0.000 1.140 131 T CB -1.239 67.628 68.868 -0.002 0.000 0.864 131 T HN 0.517 nan 8.240 nan 0.000 0.455 132 P HA -0.091 nan 4.420 nan 0.000 0.217 132 P C 1.000 178.377 177.300 0.127 0.000 1.148 132 P CA 1.143 64.356 63.100 0.188 0.000 0.828 132 P CB -0.105 31.685 31.700 0.149 0.000 0.783 133 D N -1.510 118.939 120.400 0.081 0.000 2.289 133 D HA 0.043 4.683 4.640 0.001 0.000 0.207 133 D C 1.842 178.175 176.300 0.056 0.000 0.966 133 D CA 0.892 54.929 54.000 0.062 0.000 0.868 133 D CB 0.196 41.026 40.800 0.050 0.000 0.943 133 D HN 0.283 nan 8.370 nan 0.000 0.514 134 I N -0.069 120.533 120.570 0.053 0.000 3.718 134 I HA 0.011 4.181 4.170 0.001 0.000 0.297 134 I C 0.280 176.422 176.117 0.043 0.000 1.220 134 I CA -0.096 61.230 61.300 0.043 0.000 1.381 134 I CB 0.821 38.849 38.000 0.046 0.000 1.238 134 I HN -0.117 nan 8.210 nan 0.000 0.448 135 L N 1.692 122.928 121.223 0.022 0.000 2.275 135 L HA 0.338 4.679 4.340 0.001 0.000 0.288 135 L C 0.171 177.117 176.870 0.126 0.000 1.046 135 L CA -0.304 54.537 54.840 0.001 0.000 0.805 135 L CB 0.827 42.733 42.059 -0.254 0.000 1.193 135 L HN 0.051 nan 8.230 nan 0.000 0.426 136 Q N 6.571 126.446 119.800 0.126 0.000 2.286 136 Q HA 0.208 4.549 4.340 0.001 0.000 0.290 136 Q C -2.300 173.837 176.000 0.229 0.000 1.049 136 Q CA -0.793 55.095 55.803 0.142 0.000 0.923 136 Q CB 0.652 29.449 28.738 0.100 0.000 1.183 136 Q HN 0.424 nan 8.270 nan 0.000 0.383 137 P HA 0.081 nan 4.420 nan 0.000 0.265 137 P C 0.121 177.484 177.300 0.105 0.000 1.193 137 P CA 1.259 64.424 63.100 0.108 0.000 0.765 137 P CB 0.693 32.393 31.700 -0.001 0.000 0.823 138 G N 1.659 110.525 108.800 0.109 0.000 2.175 138 G HA2 -0.152 3.809 3.960 0.001 0.000 0.244 138 G HA3 -0.152 3.809 3.960 0.001 0.000 0.244 138 G C 0.618 175.623 174.900 0.175 0.000 0.982 138 G CA -0.162 45.009 45.100 0.119 0.000 0.641 138 G HN 0.872 nan 8.290 nan 0.000 0.527 139 G N -1.081 107.861 108.800 0.237 0.000 2.525 139 G HA2 0.631 4.592 3.960 0.001 0.000 0.287 139 G HA3 0.631 4.592 3.960 0.001 0.000 0.287 139 G C -0.255 174.839 174.900 0.323 0.000 1.350 139 G CA 0.600 45.834 45.100 0.224 0.000 1.039 139 G HN 0.659 nan 8.290 nan 0.000 0.513 140 T N -0.474 114.240 114.554 0.267 0.000 2.893 140 T HA 0.514 4.864 4.350 0.001 0.000 0.291 140 T C -1.608 173.244 174.700 0.254 0.000 1.028 140 T CA -0.143 62.102 62.100 0.243 0.000 0.995 140 T CB 1.607 70.543 68.868 0.113 0.000 1.051 140 T HN 0.389 nan 8.240 nan 0.000 0.470 141 F N 3.449 123.360 119.950 -0.066 0.000 2.562 141 F HA 0.707 5.235 4.527 0.001 0.000 0.319 141 F C -1.798 173.927 175.800 -0.126 0.000 1.154 141 F CA -1.139 56.799 58.000 -0.103 0.000 0.931 141 F CB 0.992 39.881 39.000 -0.184 0.000 1.198 141 F HN 0.411 nan 8.300 nan 0.000 0.444 142 L N 8.391 129.528 121.223 -0.143 0.000 2.349 142 L HA 0.731 5.072 4.340 0.001 0.000 0.278 142 L C -1.175 175.641 176.870 -0.091 0.000 0.996 142 L CA -0.474 54.334 54.840 -0.053 0.000 0.825 142 L CB 1.199 43.199 42.059 -0.099 0.000 1.243 142 L HN 0.826 nan 8.230 nan 0.000 0.412 143 C N 2.763 122.113 119.300 0.083 0.000 2.609 143 C HA 0.721 5.182 4.460 0.001 0.000 0.313 143 C C -0.315 174.782 174.990 0.177 0.000 1.175 143 C CA -1.236 57.831 59.018 0.083 0.000 1.434 143 C CB 1.228 29.006 27.740 0.064 0.000 2.005 143 C HN 1.021 nan 8.230 nan 0.000 0.471 144 K N 2.511 123.001 120.400 0.150 0.000 2.322 144 K HA 0.629 4.950 4.320 0.001 0.000 0.283 144 K C -0.107 176.384 176.600 -0.182 0.000 1.042 144 K CA 0.532 56.776 56.287 -0.072 0.000 0.958 144 K CB 0.796 33.256 32.500 -0.066 0.000 0.984 144 K HN 0.993 nan 8.250 nan 0.000 0.473 145 T N 2.400 116.752 114.554 -0.337 0.000 2.645 145 T HA 0.418 4.769 4.350 0.001 0.000 0.300 145 T C -2.171 172.382 174.700 -0.245 0.000 1.210 145 T CA -0.827 61.092 62.100 -0.300 0.000 1.034 145 T CB 0.445 69.001 68.868 -0.522 0.000 1.537 145 T HN 0.741 nan 8.240 nan 0.000 0.492 146 W N 1.264 122.352 121.300 -0.354 0.000 2.736 146 W HA 0.760 5.421 4.660 0.001 0.000 0.335 146 W C -0.953 175.418 176.519 -0.246 0.000 1.059 146 W CA -0.708 56.438 57.345 -0.333 0.000 1.226 146 W CB 1.475 30.695 29.460 -0.400 0.000 1.416 146 W HN 0.755 nan 8.180 nan 0.000 0.505 147 A N 4.304 126.546 122.820 -0.962 0.000 2.366 147 A HA 0.774 5.095 4.320 0.001 0.000 0.322 147 A C -0.007 176.945 177.584 -1.054 0.000 1.397 147 A CA 0.474 52.097 52.037 -0.690 0.000 0.984 147 A CB -0.258 18.455 19.000 -0.478 0.000 1.149 147 A HN 1.148 nan 8.150 nan 0.000 0.540 148 G N 0.185 108.741 108.800 -0.408 0.000 2.500 148 G HA2 0.419 4.380 3.960 0.001 0.000 0.299 148 G HA3 0.419 4.380 3.960 0.001 0.000 0.299 148 G C 0.972 175.979 174.900 0.179 0.000 1.242 148 G CA 0.478 45.510 45.100 -0.114 0.000 0.859 148 G HN 1.146 nan 8.290 nan 0.000 0.481 149 S N -0.813 115.043 115.700 0.260 0.000 2.368 149 S HA -0.134 4.336 4.470 0.001 0.000 0.225 149 S C 1.774 176.484 174.600 0.183 0.000 1.030 149 S CA 2.059 60.368 58.200 0.180 0.000 0.999 149 S CB -0.221 63.075 63.200 0.159 0.000 0.844 149 S HN 0.369 nan 8.310 nan 0.000 0.459 150 Q N 0.904 120.848 119.800 0.241 0.000 2.435 150 Q HA 0.261 4.602 4.340 0.001 0.000 0.207 150 Q C 2.088 178.208 176.000 0.200 0.000 0.956 150 Q CA 0.651 56.565 55.803 0.186 0.000 0.917 150 Q CB -0.636 28.197 28.738 0.158 0.000 0.997 150 Q HN 0.594 nan 8.270 nan 0.000 0.497 151 S N 0.021 115.871 115.700 0.251 0.000 2.496 151 S HA 0.052 4.523 4.470 0.001 0.000 0.224 151 S C 1.688 176.435 174.600 0.245 0.000 0.996 151 S CA 0.057 58.421 58.200 0.274 0.000 0.927 151 S CB 0.191 63.574 63.200 0.304 0.000 0.774 151 S HN 0.317 nan 8.310 nan 0.000 0.524 152 R N 1.067 121.662 120.500 0.159 0.000 2.105 152 R HA -0.119 4.221 4.340 0.001 0.000 0.239 152 R C 2.849 179.193 176.300 0.072 0.000 1.135 152 R CA 1.522 57.676 56.100 0.090 0.000 0.967 152 R CB -0.437 29.902 30.300 0.066 0.000 0.861 152 R HN 0.392 nan 8.270 nan 0.000 0.442 153 R N 1.216 121.771 120.500 0.091 0.000 2.080 153 R HA -0.138 4.203 4.340 0.001 0.000 0.236 153 R C 2.141 178.492 176.300 0.085 0.000 1.137 153 R CA 1.830 57.977 56.100 0.078 0.000 0.943 153 R CB -1.525 28.824 30.300 0.082 0.000 0.846 153 R HN 0.221 nan 8.270 nan 0.000 0.431 154 L N 0.722 122.027 121.223 0.136 0.000 2.012 154 L HA -0.162 4.179 4.340 0.001 0.000 0.210 154 L C 2.612 179.541 176.870 0.097 0.000 1.073 154 L CA 2.776 57.715 54.840 0.166 0.000 0.748 154 L CB -0.665 41.570 42.059 0.292 0.000 0.891 154 L HN 0.631 nan 8.230 nan 0.000 0.431 155 Q N -0.844 118.978 119.800 0.037 0.000 2.124 155 Q HA -0.248 4.093 4.340 0.001 0.000 0.202 155 Q C 2.360 178.283 176.000 -0.129 0.000 0.977 155 Q CA 2.271 57.934 55.803 -0.233 0.000 0.850 155 Q CB 0.012 28.524 28.738 -0.378 0.000 0.901 155 Q HN 0.605 nan 8.270 nan 0.000 0.429 156 R N 1.021 121.494 120.500 -0.044 0.000 2.081 156 R HA -0.139 4.202 4.340 0.001 0.000 0.235 156 R C 1.965 178.266 176.300 0.002 0.000 1.131 156 R CA 1.743 57.832 56.100 -0.019 0.000 0.960 156 R CB -1.165 29.137 30.300 0.004 0.000 0.856 156 R HN 0.388 nan 8.270 nan 0.000 0.436 157 R N 0.097 120.608 120.500 0.017 0.000 2.081 157 R HA 0.059 4.400 4.340 0.001 0.000 0.235 157 R C 2.449 178.782 176.300 0.055 0.000 1.131 157 R CA 1.576 57.698 56.100 0.037 0.000 0.960 157 R CB -0.444 29.881 30.300 0.041 0.000 0.856 157 R HN 0.476 nan 8.270 nan 0.000 0.436 158 L N -0.250 120.983 121.223 0.017 0.000 2.083 158 L HA -0.171 4.170 4.340 0.001 0.000 0.209 158 L C 2.235 179.166 176.870 0.102 0.000 1.083 158 L CA 1.650 56.511 54.840 0.037 0.000 0.752 158 L CB -0.512 41.449 42.059 -0.164 0.000 0.899 158 L HN 0.305 nan 8.230 nan 0.000 0.433 159 T N -0.755 113.808 114.554 0.015 0.000 2.867 159 T HA -0.153 4.198 4.350 0.001 0.000 0.268 159 T C 2.165 176.913 174.700 0.079 0.000 1.057 159 T CA 1.482 63.597 62.100 0.026 0.000 1.136 159 T CB -0.226 68.631 68.868 -0.019 0.000 0.874 159 T HN 0.591 nan 8.240 nan 0.000 0.466 160 E N 1.646 121.895 120.200 0.082 0.000 2.152 160 E HA -0.109 4.241 4.350 0.001 0.000 0.192 160 E C 1.717 178.405 176.600 0.146 0.000 0.983 160 E CA 1.100 57.563 56.400 0.105 0.000 0.818 160 E CB -0.542 29.200 29.700 0.070 0.000 0.758 160 E HN 0.748 nan 8.360 nan 0.000 0.467 161 E N -2.289 117.956 120.200 0.076 0.000 2.489 161 E HA 0.292 4.642 4.350 0.001 0.000 0.204 161 E C -0.729 175.474 176.600 -0.661 0.000 1.006 161 E CA -0.392 55.941 56.400 -0.112 0.000 0.936 161 E CB 0.575 30.279 29.700 0.007 0.000 1.002 161 E HN 0.489 nan 8.360 nan 0.000 0.488 162 F N 0.278 119.945 119.950 -0.473 0.000 2.588 162 F HA 0.230 4.757 4.527 0.001 0.000 0.314 162 F C 1.270 176.800 175.800 -0.451 0.000 1.069 162 F CA -0.971 56.731 58.000 -0.496 0.000 0.931 162 F CB 1.715 40.621 39.000 -0.158 0.000 1.260 162 F HN -0.310 nan 8.300 nan 0.000 0.465 163 Q N 0.826 120.574 119.800 -0.087 0.000 2.124 163 Q HA -0.048 4.293 4.340 0.001 0.000 0.202 163 Q C -0.465 175.595 176.000 0.100 0.000 0.977 163 Q CA 1.317 57.198 55.803 0.129 0.000 0.850 163 Q CB -0.195 28.631 28.738 0.148 0.000 0.901 163 Q HN 0.631 nan 8.270 nan 0.000 0.429 164 N N -1.232 117.523 118.700 0.092 0.000 2.287 164 N HA 0.380 5.121 4.740 0.001 0.000 0.289 164 N C -1.677 173.823 175.510 -0.016 0.000 1.066 164 N CA -0.302 52.771 53.050 0.039 0.000 0.841 164 N CB 2.794 41.304 38.487 0.037 0.000 1.599 164 N HN -0.265 nan 8.380 nan 0.000 0.476 165 V N 1.768 121.644 119.914 -0.063 0.000 2.483 165 V HA 0.506 4.626 4.120 0.001 0.000 0.297 165 V C -0.257 175.757 176.094 -0.134 0.000 1.027 165 V CA -0.641 61.574 62.300 -0.142 0.000 0.855 165 V CB 1.384 33.087 31.823 -0.199 0.000 0.995 165 V HN 0.570 nan 8.190 nan 0.000 0.424 166 R N 3.931 124.358 120.500 -0.123 0.000 2.604 166 R HA 0.718 5.058 4.340 0.001 0.000 0.287 166 R C -1.019 175.264 176.300 -0.028 0.000 0.970 166 R CA -0.725 55.321 56.100 -0.090 0.000 0.946 166 R CB 2.319 32.539 30.300 -0.134 0.000 1.127 166 R HN 0.598 nan 8.270 nan 0.000 0.473 167 I N 3.997 124.578 120.570 0.018 0.000 2.336 167 I HA 0.337 4.508 4.170 0.001 0.000 0.292 167 I C -0.227 175.974 176.117 0.140 0.000 0.991 167 I CA -0.376 61.027 61.300 0.171 0.000 1.227 167 I CB 1.209 39.295 38.000 0.143 0.000 1.366 167 I HN 0.354 nan 8.210 nan 0.000 0.466 168 I N 7.047 127.732 120.570 0.193 0.000 2.433 168 I HA 0.360 4.530 4.170 0.001 0.000 0.292 168 I C 0.200 176.434 176.117 0.195 0.000 1.001 168 I CA -0.761 60.646 61.300 0.179 0.000 1.119 168 I CB 1.433 39.540 38.000 0.178 0.000 1.289 168 I HN 0.529 nan 8.210 nan 0.000 0.438 169 K N 4.788 125.272 120.400 0.140 0.000 2.443 169 K HA 0.601 4.922 4.320 0.001 0.000 0.284 169 K C -1.994 174.683 176.600 0.129 0.000 0.992 169 K CA -1.201 55.139 56.287 0.089 0.000 1.292 169 K CB -1.139 31.386 32.500 0.041 0.000 1.705 169 K HN 0.238 nan 8.250 nan 0.000 0.778 180 V N 2.115 121.744 119.914 -0.475 0.000 2.888 180 V HA 0.470 4.591 4.120 0.001 0.000 0.309 180 V C -1.614 174.104 176.094 -0.625 0.000 1.114 180 V CA -0.830 61.208 62.300 -0.436 0.000 0.940 180 V CB 1.731 33.337 31.823 -0.362 0.000 1.021 180 V HN 0.569 nan 8.190 nan 0.000 0.426 181 Y N 2.878 123.128 120.300 -0.083 0.000 2.393 181 Y HA 0.709 5.260 4.550 0.001 0.000 0.341 181 Y C -0.411 175.537 175.900 0.079 0.000 0.988 181 Y CA -0.910 57.162 58.100 -0.048 0.000 1.078 181 Y CB 1.551 40.031 38.460 0.034 0.000 1.203 181 Y HN 0.437 nan 8.280 nan 0.000 0.453 182 F N 3.681 123.721 119.950 0.151 0.000 2.408 182 F HA 0.416 4.943 4.527 0.001 0.000 0.344 182 F C -0.355 175.473 175.800 0.048 0.000 1.112 182 F CA -1.612 56.430 58.000 0.070 0.000 1.096 182 F CB 1.281 40.316 39.000 0.058 0.000 1.129 182 F HN 0.222 nan 8.300 nan 0.000 0.486 183 L N 3.944 125.253 121.223 0.144 0.000 2.318 183 L HA 0.777 5.117 4.340 0.001 0.000 0.277 183 L C -0.660 176.141 176.870 -0.116 0.000 1.008 183 L CA -0.539 54.288 54.840 -0.022 0.000 0.846 183 L CB 0.582 42.545 42.059 -0.160 0.000 1.220 183 L HN 0.604 nan 8.230 nan 0.000 0.423 184 A N 3.282 125.973 122.820 -0.214 0.000 2.303 184 A HA 0.846 5.167 4.320 0.001 0.000 0.320 184 A C -0.151 177.233 177.584 -0.333 0.000 1.192 184 A CA -0.028 51.706 52.037 -0.506 0.000 0.821 184 A CB 0.775 19.002 19.000 -1.287 0.000 1.188 184 A HN 0.743 nan 8.150 nan 0.000 0.492 185 T N -0.255 114.292 114.554 -0.011 0.000 2.916 185 T HA 0.622 4.973 4.350 0.001 0.000 0.292 185 T C -0.406 174.494 174.700 0.333 0.000 1.055 185 T CA -0.683 61.532 62.100 0.192 0.000 1.009 185 T CB 1.234 70.156 68.868 0.090 0.000 1.118 185 T HN 0.870 nan 8.240 nan 0.000 0.497 186 Q N -0.131 119.844 119.800 0.293 0.000 2.459 186 Q HA -0.195 4.145 4.340 0.001 0.000 0.314 186 Q C -0.958 175.119 176.000 0.130 0.000 1.432 186 Q CA 0.056 55.977 55.803 0.197 0.000 0.823 186 Q CB -1.923 26.895 28.738 0.134 0.000 1.124 186 Q HN 0.818 nan 8.270 nan 0.000 0.392 187 Y N 0.332 120.605 120.300 -0.045 0.000 2.805 187 Y HA -0.171 4.380 4.550 0.001 0.000 0.331 187 Y C 1.527 177.208 175.900 -0.365 0.000 1.241 187 Y CA 1.125 58.835 58.100 -0.650 0.000 1.546 187 Y CB 0.496 38.637 38.460 -0.532 0.000 1.248 187 Y HN 0.303 nan 8.280 nan 0.000 0.559 188 H N 3.022 121.606 119.070 -0.810 0.000 2.387 188 H HA -0.065 4.491 4.556 0.001 0.000 0.299 188 H C 1.361 176.269 175.328 -0.701 0.000 1.090 188 H CA 0.304 56.003 56.048 -0.582 0.000 1.332 188 H CB 0.106 29.614 29.762 -0.424 0.000 1.386 188 H HN 0.758 nan 8.280 nan 0.000 0.516 189 G N 0.000 108.058 108.800 -1.237 0.000 5.446 189 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 189 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 189 G CA 0.000 44.045 45.100 -1.759 0.000 0.502 189 G HN 0.000 nan 8.290 nan 0.000 0.925