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 2pb2_1_B DATA FIRST_RESID 18 DATA SEQUENCE LPVYAPADFI PVKGKGSRVW DQQGKEYIDF AGGIAVTALG HCHPALVEAL DATA SEQUENCE KSQGETLWHT SNVFTNEPAL RLGRKLIDAT FAERVLFMNS GTEANETAFK DATA SEQUENCE LARHYACVRH SPFKTKIIAF HNAFHGRSLF TVSVGGQPKY SDGFGPKPAD DATA SEQUENCE IIHVPFNDLH AVKAVMDDHT CAVVVEPIQG EGGVQAATPE FLKGLRDLCD DATA SEQUENCE EHQALLVFDE VQCGMGRTGD LFAYMHYGVT PDILTSAKAL GGGFPVSAML DATA SEQUENCE TTQEIASAFX XXXXXSTYGG NPLACAVAGA AFDIINTPEV LQGIHTKRQQ DATA SEQUENCE FVQHLQAIDE QFDIFSDIRG MGLLIGAELK PKYKGRARDF LYAGAEAGVM DATA SEQUENCE VLNAGADVMR FAPSLVVEEA DIHEGMQRFA QAVGKVVA 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 18 L HA 0.000 nan 4.340 nan 0.000 0.249 18 L C 0.000 176.948 176.870 0.130 0.000 1.165 18 L CA 0.000 54.892 54.840 0.086 0.000 0.813 18 L CB 0.000 nan 42.059 nan 0.000 0.961 19 P HA 0.588 nan 4.420 nan 0.000 0.275 19 P C -0.786 176.694 177.300 0.301 0.000 1.227 19 P CA -0.321 62.919 63.100 0.233 0.000 0.781 19 P CB 1.237 33.132 31.700 0.324 0.000 0.906 20 V N 3.728 123.790 119.914 0.246 0.000 2.389 20 V HA 0.195 4.314 4.120 -0.001 0.000 0.264 20 V C -0.443 175.788 176.094 0.228 0.000 1.049 20 V CA -0.150 62.284 62.300 0.224 0.000 0.932 20 V CB -0.948 30.889 31.823 0.024 0.000 1.011 20 V HN 0.468 nan 8.190 nan 0.000 0.475 21 Y N 2.345 122.707 120.300 0.103 0.000 2.446 21 Y HA 0.685 5.235 4.550 -0.001 0.000 0.345 21 Y C 0.518 176.471 175.900 0.089 0.000 0.984 21 Y CA -0.902 57.229 58.100 0.052 0.000 1.058 21 Y CB 1.942 40.434 38.460 0.054 0.000 1.220 21 Y HN 0.655 nan 8.280 nan 0.000 0.455 22 A N 5.096 127.957 122.820 0.069 0.000 2.363 22 A HA 0.526 4.845 4.320 -0.001 0.000 0.270 22 A C -2.227 175.447 177.584 0.151 0.000 1.121 22 A CA -1.241 50.820 52.037 0.040 0.000 0.800 22 A CB -0.312 18.555 19.000 -0.221 0.000 1.052 22 A HN 0.508 nan 8.150 nan 0.000 0.493 23 P HA 0.330 nan 4.420 nan 0.000 0.275 23 P C 0.784 178.178 177.300 0.156 0.000 1.266 23 P CA 0.152 63.359 63.100 0.178 0.000 0.793 23 P CB 0.849 32.662 31.700 0.188 0.000 1.074 24 A N 0.943 123.834 122.820 0.120 0.000 2.076 24 A HA -0.172 4.147 4.320 -0.001 0.000 0.220 24 A C 1.309 178.964 177.584 0.118 0.000 1.160 24 A CA 1.871 53.969 52.037 0.101 0.000 0.653 24 A CB -1.124 17.921 19.000 0.075 0.000 0.801 24 A HN 0.694 nan 8.150 nan 0.000 0.455 25 D N -2.338 118.146 120.400 0.139 0.000 2.342 25 D HA 0.069 4.709 4.640 -0.001 0.000 0.221 25 D C -0.003 176.423 176.300 0.210 0.000 1.101 25 D CA -0.295 53.788 54.000 0.138 0.000 0.837 25 D CB -0.539 40.318 40.800 0.096 0.000 0.938 25 D HN 0.469 nan 8.370 nan 0.000 0.508 26 F N 1.223 121.207 119.950 0.057 0.000 2.550 26 F HA 0.381 4.907 4.527 -0.001 0.000 0.348 26 F C -1.098 174.696 175.800 -0.010 0.000 1.219 26 F CA -1.080 56.938 58.000 0.030 0.000 1.203 26 F CB 0.416 39.420 39.000 0.007 0.000 1.436 26 F HN -0.284 nan 8.300 nan 0.000 0.541 27 I N 5.462 126.234 120.570 0.337 0.000 2.390 27 I HA 0.315 4.484 4.170 -0.001 0.000 0.283 27 I C -2.441 173.778 176.117 0.171 0.000 1.016 27 I CA -2.238 59.155 61.300 0.155 0.000 1.151 27 I CB 1.438 39.496 38.000 0.097 0.000 1.293 27 I HN 0.248 nan 8.210 nan 0.000 0.458 28 P HA 0.009 nan 4.420 nan 0.000 0.267 28 P C 0.717 178.060 177.300 0.072 0.000 1.205 28 P CA -0.026 63.130 63.100 0.094 0.000 0.765 28 P CB 1.016 32.700 31.700 -0.027 0.000 0.828 29 V N 0.416 120.396 119.914 0.110 0.000 3.473 29 V HA 0.361 4.480 4.120 -0.001 0.000 0.253 29 V C 0.440 176.584 176.094 0.085 0.000 1.340 29 V CA 0.660 63.011 62.300 0.085 0.000 1.103 29 V CB -0.311 31.564 31.823 0.088 0.000 0.881 29 V HN 0.339 nan 8.190 nan 0.000 0.451 30 K N 0.221 120.707 120.400 0.144 0.000 2.498 30 K HA 0.684 5.004 4.320 -0.001 0.000 0.254 30 K C -0.798 175.938 176.600 0.227 0.000 0.933 30 K CA -0.046 56.344 56.287 0.171 0.000 0.806 30 K CB 2.209 34.804 32.500 0.158 0.000 1.301 30 K HN 0.436 nan 8.250 nan 0.000 0.432 31 G N 2.810 111.684 108.800 0.123 0.000 2.617 31 G HA2 0.485 4.444 3.960 -0.001 0.000 0.306 31 G HA3 0.485 4.444 3.960 -0.001 0.000 0.306 31 G C -1.558 173.495 174.900 0.256 0.000 1.360 31 G CA -0.353 44.745 45.100 -0.003 0.000 0.983 31 G HN 0.256 nan 8.290 nan 0.000 0.496 32 K N 1.229 121.836 120.400 0.344 0.000 2.601 32 K HA 0.595 4.915 4.320 -0.001 0.000 0.249 32 K C 0.757 177.505 176.600 0.246 0.000 0.966 32 K CA 0.354 56.834 56.287 0.323 0.000 0.827 32 K CB 1.200 33.939 32.500 0.398 0.000 1.178 32 K HN 1.434 nan 8.250 nan 0.000 0.437 33 G N 2.635 111.560 108.800 0.208 0.000 2.596 33 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.304 33 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.304 33 G C 0.280 175.293 174.900 0.188 0.000 1.189 33 G CA 0.517 45.713 45.100 0.160 0.000 0.986 33 G HN 0.481 nan 8.290 nan 0.000 0.548 34 S N 1.869 117.651 115.700 0.137 0.000 2.573 34 S HA 0.364 4.834 4.470 -0.001 0.000 0.244 34 S C 0.644 175.264 174.600 0.034 0.000 0.984 34 S CA -0.020 58.260 58.200 0.134 0.000 1.001 34 S CB 0.010 63.298 63.200 0.147 0.000 0.788 34 S HN 0.531 nan 8.310 nan 0.000 0.456 35 R N 0.861 121.338 120.500 -0.039 0.000 2.562 35 R HA 0.667 5.007 4.340 -0.001 0.000 0.298 35 R C -1.241 174.755 176.300 -0.507 0.000 0.961 35 R CA -0.530 55.364 56.100 -0.344 0.000 0.881 35 R CB 1.919 31.919 30.300 -0.499 0.000 1.159 35 R HN 0.002 nan 8.270 nan 0.000 0.450 36 V N 2.434 121.990 119.914 -0.597 0.000 2.709 36 V HA 0.493 4.613 4.120 -0.001 0.000 0.308 36 V C -0.719 175.159 176.094 -0.361 0.000 1.062 36 V CA -0.851 61.224 62.300 -0.376 0.000 0.901 36 V CB 2.459 34.164 31.823 -0.196 0.000 1.003 36 V HN 0.632 nan 8.190 nan 0.000 0.425 37 W N 2.373 123.732 121.300 0.098 0.000 2.666 37 W HA 0.476 5.136 4.660 -0.001 0.000 0.334 37 W C -0.458 176.153 176.519 0.153 0.000 1.051 37 W CA -0.618 56.806 57.345 0.132 0.000 1.224 37 W CB 2.302 31.790 29.460 0.046 0.000 1.405 37 W HN 0.782 nan 8.180 nan 0.000 0.513 38 D N -0.363 120.283 120.400 0.410 0.000 2.539 38 D HA 0.090 4.730 4.640 -0.001 0.000 0.276 38 D C 0.911 177.339 176.300 0.213 0.000 1.206 38 D CA -0.273 53.910 54.000 0.305 0.000 1.081 38 D CB 0.563 41.562 40.800 0.331 0.000 1.142 38 D HN 0.353 nan 8.370 nan 0.000 0.595 39 Q N -1.349 118.548 119.800 0.162 0.000 2.181 39 Q HA -0.188 4.152 4.340 -0.001 0.000 0.205 39 Q C 1.454 177.506 176.000 0.087 0.000 0.980 39 Q CA 1.458 57.326 55.803 0.108 0.000 0.862 39 Q CB -0.113 28.680 28.738 0.092 0.000 0.905 39 Q HN 0.452 nan 8.270 nan 0.000 0.429 40 Q N -1.314 118.540 119.800 0.090 0.000 2.403 40 Q HA 0.125 4.465 4.340 -0.001 0.000 0.203 40 Q C 0.830 176.867 176.000 0.060 0.000 0.932 40 Q CA 0.673 56.511 55.803 0.059 0.000 0.945 40 Q CB 0.749 29.511 28.738 0.040 0.000 1.045 40 Q HN 0.500 nan 8.270 nan 0.000 0.511 41 G N 0.704 109.568 108.800 0.107 0.000 2.157 41 G HA2 -0.358 3.602 3.960 -0.001 0.000 0.248 41 G HA3 -0.358 3.602 3.960 -0.001 0.000 0.248 41 G C 0.117 175.126 174.900 0.181 0.000 0.979 41 G CA 0.211 45.396 45.100 0.142 0.000 0.650 41 G HN 0.298 nan 8.290 nan 0.000 0.529 42 K N 1.043 121.484 120.400 0.068 0.000 2.412 42 K HA 0.316 4.636 4.320 -0.001 0.000 0.281 42 K C 0.300 176.739 176.600 -0.269 0.000 1.027 42 K CA -0.123 56.073 56.287 -0.152 0.000 0.989 42 K CB 0.332 32.639 32.500 -0.322 0.000 0.935 42 K HN 0.334 nan 8.250 nan 0.000 0.475 43 E N 4.044 124.005 120.200 -0.399 0.000 2.197 43 E HA 0.142 4.492 4.350 -0.001 0.000 0.281 43 E C -1.414 174.753 176.600 -0.722 0.000 0.995 43 E CA -0.602 55.451 56.400 -0.579 0.000 0.808 43 E CB 0.598 30.092 29.700 -0.344 0.000 1.093 43 E HN 0.442 nan 8.360 nan 0.000 0.394 44 Y N 2.826 122.858 120.300 -0.447 0.000 2.485 44 Y HA 0.349 4.899 4.550 -0.001 0.000 0.345 44 Y C 0.207 175.897 175.900 -0.350 0.000 0.998 44 Y CA -1.161 56.753 58.100 -0.311 0.000 1.059 44 Y CB 1.266 39.612 38.460 -0.190 0.000 1.234 44 Y HN 0.350 nan 8.280 nan 0.000 0.461 45 I N 2.285 122.751 120.570 -0.173 0.000 2.365 45 I HA 0.106 4.275 4.170 -0.001 0.000 0.291 45 I C -0.235 175.688 176.117 -0.324 0.000 1.004 45 I CA -0.516 60.603 61.300 -0.301 0.000 1.311 45 I CB 1.020 38.737 38.000 -0.471 0.000 1.401 45 I HN 0.628 nan 8.210 nan 0.000 0.491 46 D N 6.336 126.627 120.400 -0.181 0.000 2.428 46 D HA 0.246 4.886 4.640 -0.001 0.000 0.221 46 D C 0.138 176.524 176.300 0.144 0.000 1.123 46 D CA -0.147 53.836 54.000 -0.028 0.000 0.869 46 D CB 0.178 41.041 40.800 0.106 0.000 1.032 46 D HN 0.363 nan 8.370 nan 0.000 0.506 47 F N 1.656 121.645 119.950 0.066 0.000 2.641 47 F HA 0.258 4.785 4.527 -0.001 0.000 0.302 47 F C 1.743 177.510 175.800 -0.055 0.000 1.098 47 F CA -0.476 57.560 58.000 0.060 0.000 1.318 47 F CB 0.757 39.877 39.000 0.200 0.000 1.035 47 F HN 0.444 nan 8.300 nan 0.000 0.551 48 A N -0.135 122.737 122.820 0.088 0.000 2.013 48 A HA 0.401 4.721 4.320 -0.001 0.000 0.204 48 A C 1.947 179.504 177.584 -0.045 0.000 1.262 48 A CA 0.774 52.789 52.037 -0.036 0.000 0.800 48 A CB -0.602 18.345 19.000 -0.088 0.000 0.909 48 A HN 0.381 nan 8.150 nan 0.000 0.472 49 G N -0.753 108.041 108.800 -0.011 0.000 2.283 49 G HA2 0.137 4.097 3.960 -0.001 0.000 0.280 49 G HA3 0.137 4.097 3.960 -0.001 0.000 0.280 49 G C 1.435 176.296 174.900 -0.066 0.000 1.029 49 G CA 0.803 45.873 45.100 -0.050 0.000 0.840 49 G HN 2.065 nan 8.290 nan 0.000 0.505 50 G N -0.446 108.323 108.800 -0.052 0.000 2.305 50 G HA2 -0.040 3.919 3.960 -0.001 0.000 0.287 50 G HA3 -0.040 3.919 3.960 -0.001 0.000 0.287 50 G C 0.714 175.561 174.900 -0.089 0.000 1.036 50 G CA 0.382 45.440 45.100 -0.070 0.000 0.887 50 G HN 2.184 nan 8.290 nan 0.000 0.505 51 I N -3.671 116.837 120.570 -0.103 0.000 6.579 51 I HA -0.170 3.999 4.170 -0.001 0.000 0.126 51 I C 1.410 177.478 176.117 -0.082 0.000 1.827 51 I CA 0.466 61.700 61.300 -0.110 0.000 2.040 51 I CB -1.948 35.975 38.000 -0.128 0.000 3.510 51 I HN 2.206 nan 8.210 nan 0.000 0.170 52 A N 0.908 123.679 122.820 -0.081 0.000 2.860 52 A HA -0.202 4.118 4.320 -0.001 0.000 0.267 52 A C 1.067 178.618 177.584 -0.054 0.000 1.421 52 A CA 1.400 53.394 52.037 -0.071 0.000 0.831 52 A CB -1.762 17.198 19.000 -0.067 0.000 1.041 52 A HN 0.785 nan 8.150 nan 0.000 0.623 53 V N -0.160 119.720 119.914 -0.056 0.000 2.403 53 V HA -0.015 4.104 4.120 -0.001 0.000 0.239 53 V C 1.863 177.920 176.094 -0.062 0.000 1.041 53 V CA 2.019 64.293 62.300 -0.043 0.000 1.051 53 V CB -0.373 31.429 31.823 -0.035 0.000 0.704 53 V HN 1.138 nan 8.190 nan 0.000 0.472 54 T N -0.041 114.449 114.554 -0.106 0.000 4.219 54 T HA 0.405 4.755 4.350 -0.001 0.000 0.263 54 T C 1.027 175.651 174.700 -0.127 0.000 1.217 54 T CA 0.443 62.448 62.100 -0.159 0.000 1.145 54 T CB 0.514 69.165 68.868 -0.362 0.000 1.298 54 T HN 0.353 nan 8.240 nan 0.000 0.999 55 A N 2.262 125.027 122.820 -0.091 0.000 2.168 55 A HA 0.272 4.592 4.320 -0.001 0.000 0.215 55 A C 1.704 179.241 177.584 -0.077 0.000 1.152 55 A CA 0.529 52.516 52.037 -0.084 0.000 0.716 55 A CB -0.282 18.666 19.000 -0.086 0.000 0.794 55 A HN 0.759 nan 8.150 nan 0.000 0.465 56 L N -1.165 120.011 121.223 -0.078 0.000 3.066 56 L HA 0.399 4.739 4.340 -0.001 0.000 0.265 56 L C 1.026 177.925 176.870 0.048 0.000 1.232 56 L CA 0.068 54.880 54.840 -0.047 0.000 1.031 56 L CB -0.122 41.820 42.059 -0.196 0.000 1.379 56 L HN 0.533 nan 8.230 nan 0.000 0.563 57 G N 0.025 108.806 108.800 -0.031 0.000 2.741 57 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.222 57 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.222 57 G C -0.600 174.230 174.900 -0.117 0.000 1.364 57 G CA -0.746 44.321 45.100 -0.055 0.000 0.866 57 G HN 0.278 nan 8.290 nan 0.000 0.555 58 H N -0.784 118.342 119.070 0.093 0.000 2.527 58 H HA 0.366 4.922 4.556 -0.001 0.000 0.321 58 H C 1.194 176.586 175.328 0.107 0.000 1.087 58 H CA 0.560 56.664 56.048 0.092 0.000 1.337 58 H CB 0.810 30.626 29.762 0.090 0.000 1.440 58 H HN 1.221 nan 8.280 nan 0.000 0.490 59 C N 3.126 122.551 119.300 0.208 0.000 4.056 59 C HA -0.192 4.268 4.460 -0.001 0.000 0.302 59 C C 1.154 176.225 174.990 0.136 0.000 1.356 59 C CA 0.206 59.316 59.018 0.154 0.000 2.074 59 C CB -2.982 24.840 27.740 0.136 0.000 1.328 59 C HN 0.774 nan 8.230 nan 0.000 0.684 60 H N 2.600 121.706 119.070 0.060 0.000 3.004 60 H HA 0.069 4.624 4.556 -0.001 0.000 0.316 60 H C -0.706 174.643 175.328 0.035 0.000 1.014 60 H CA -0.253 55.821 56.048 0.042 0.000 1.454 60 H CB 1.182 30.958 29.762 0.022 0.000 1.472 60 H HN 0.284 nan 8.280 nan 0.000 0.571 61 P HA -0.177 nan 4.420 nan 0.000 0.216 61 P C 1.103 178.472 177.300 0.116 0.000 1.150 61 P CA 1.836 64.932 63.100 -0.006 0.000 0.843 61 P CB 0.060 31.704 31.700 -0.093 0.000 0.787 62 A N -0.691 122.308 122.820 0.298 0.000 1.930 62 A HA -0.114 4.206 4.320 -0.001 0.000 0.217 62 A C 2.193 179.855 177.584 0.130 0.000 1.175 62 A CA 1.343 53.509 52.037 0.215 0.000 0.627 62 A CB -1.396 17.743 19.000 0.232 0.000 0.815 62 A HN 0.090 nan 8.150 nan 0.000 0.443 63 L N -0.717 120.602 121.223 0.160 0.000 2.131 63 L HA -0.050 4.290 4.340 -0.001 0.000 0.206 63 L C 2.492 179.397 176.870 0.058 0.000 1.087 63 L CA 1.067 55.947 54.840 0.066 0.000 0.767 63 L CB -0.565 41.528 42.059 0.056 0.000 0.917 63 L HN 0.186 nan 8.230 nan 0.000 0.441 64 V N -0.520 119.444 119.914 0.084 0.000 2.343 64 V HA -0.262 3.858 4.120 -0.001 0.000 0.247 64 V C 2.601 178.716 176.094 0.034 0.000 1.051 64 V CA 1.719 64.054 62.300 0.058 0.000 1.036 64 V CB -0.418 31.442 31.823 0.060 0.000 0.654 64 V HN 0.439 nan 8.190 nan 0.000 0.451 65 E N 0.984 121.207 120.200 0.038 0.000 2.077 65 E HA -0.189 4.161 4.350 -0.001 0.000 0.193 65 E C 2.112 178.714 176.600 0.004 0.000 0.989 65 E CA 1.810 58.224 56.400 0.023 0.000 0.800 65 E CB -0.532 29.185 29.700 0.029 0.000 0.746 65 E HN 0.496 nan 8.360 nan 0.000 0.452 66 A N 0.488 123.305 122.820 -0.005 0.000 1.902 66 A HA -0.131 4.188 4.320 -0.001 0.000 0.217 66 A C 2.270 179.812 177.584 -0.070 0.000 1.181 66 A CA 1.554 53.567 52.037 -0.041 0.000 0.623 66 A CB -0.912 18.055 19.000 -0.055 0.000 0.818 66 A HN 0.394 nan 8.150 nan 0.000 0.443 67 L N -0.199 120.987 121.223 -0.061 0.000 2.012 67 L HA -0.177 4.163 4.340 -0.001 0.000 0.210 67 L C 2.303 179.131 176.870 -0.069 0.000 1.073 67 L CA 2.371 57.162 54.840 -0.081 0.000 0.748 67 L CB -0.383 41.667 42.059 -0.015 0.000 0.891 67 L HN 0.331 nan 8.230 nan 0.000 0.431 68 K N -0.689 119.698 120.400 -0.022 0.000 2.057 68 K HA -0.114 4.205 4.320 -0.001 0.000 0.206 68 K C 2.211 178.819 176.600 0.014 0.000 1.050 68 K CA 1.557 57.847 56.287 0.005 0.000 0.935 68 K CB -0.256 32.256 32.500 0.021 0.000 0.715 68 K HN 0.604 nan 8.250 nan 0.000 0.439 69 S N 0.994 116.695 115.700 0.001 0.000 2.355 69 S HA -0.205 4.265 4.470 -0.001 0.000 0.222 69 S C 2.184 176.789 174.600 0.008 0.000 1.031 69 S CA 1.044 59.249 58.200 0.007 0.000 0.993 69 S CB -0.299 62.901 63.200 -0.001 0.000 0.859 69 S HN 0.152 nan 8.310 nan 0.000 0.453 70 Q N 2.075 121.859 119.800 -0.027 0.000 2.167 70 Q HA 0.127 4.467 4.340 -0.001 0.000 0.202 70 Q C 2.069 178.079 176.000 0.017 0.000 0.970 70 Q CA 1.707 57.490 55.803 -0.033 0.000 0.855 70 Q CB -1.270 27.405 28.738 -0.105 0.000 0.911 70 Q HN 0.652 nan 8.270 nan 0.000 0.438 71 G N -0.127 108.663 108.800 -0.016 0.000 2.448 71 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.219 71 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.219 71 G C 0.969 176.113 174.900 0.407 0.000 1.127 71 G CA 0.779 45.939 45.100 0.099 0.000 0.766 71 G HN 0.497 nan 8.290 nan 0.000 0.552 72 E N -0.493 119.829 120.200 0.203 0.000 2.435 72 E HA 0.050 4.400 4.350 -0.001 0.000 0.195 72 E C 2.113 178.789 176.600 0.127 0.000 1.029 72 E CA 0.846 57.340 56.400 0.158 0.000 0.865 72 E CB 0.308 30.061 29.700 0.089 0.000 0.833 72 E HN 0.370 nan 8.360 nan 0.000 0.510 73 T N 0.141 114.779 114.554 0.139 0.000 3.151 73 T HA 0.237 4.587 4.350 -0.001 0.000 0.239 73 T C -0.134 174.627 174.700 0.102 0.000 0.979 73 T CA 0.057 62.208 62.100 0.085 0.000 1.194 73 T CB 0.434 69.329 68.868 0.046 0.000 0.982 73 T HN -0.076 nan 8.240 nan 0.000 0.428 74 L N 0.195 121.521 121.223 0.170 0.000 2.641 74 L HA 0.405 4.744 4.340 -0.001 0.000 0.261 74 L C -1.543 175.515 176.870 0.313 0.000 0.926 74 L CA -0.546 54.401 54.840 0.178 0.000 0.917 74 L CB 1.530 43.619 42.059 0.049 0.000 1.361 74 L HN 0.108 nan 8.230 nan 0.000 0.417 75 W N 1.880 123.184 121.300 0.006 0.000 2.678 75 W HA 0.307 4.967 4.660 -0.001 0.000 0.282 75 W C 0.659 177.225 176.519 0.079 0.000 1.137 75 W CA 0.398 57.771 57.345 0.046 0.000 1.515 75 W CB 0.025 29.533 29.460 0.081 0.000 1.101 75 W HN 0.519 nan 8.180 nan 0.000 0.564 76 H N -0.786 118.420 119.070 0.227 0.000 2.667 76 H HA 0.409 4.965 4.556 -0.001 0.000 0.353 76 H C -1.174 174.177 175.328 0.038 0.000 1.072 76 H CA 0.133 56.255 56.048 0.124 0.000 1.214 76 H CB 2.369 32.215 29.762 0.140 0.000 1.600 76 H HN -0.283 nan 8.280 nan 0.000 0.527 77 T N 2.810 116.997 114.554 -0.612 0.000 2.900 77 T HA 0.291 4.641 4.350 -0.001 0.000 0.295 77 T C -0.347 173.980 174.700 -0.623 0.000 1.044 77 T CA -0.561 61.244 62.100 -0.492 0.000 0.995 77 T CB 1.015 69.746 68.868 -0.227 0.000 1.072 77 T HN 0.737 nan 8.240 nan 0.000 0.473 78 S N 3.238 118.799 115.700 -0.232 0.000 2.624 78 S HA 0.266 4.736 4.470 -0.001 0.000 0.263 78 S C 1.133 175.715 174.600 -0.031 0.000 1.287 78 S CA -0.498 57.672 58.200 -0.050 0.000 0.990 78 S CB 0.466 63.743 63.200 0.128 0.000 0.950 78 S HN 0.670 nan 8.310 nan 0.000 0.561 79 N N 0.421 119.077 118.700 -0.072 0.000 2.520 79 N HA -0.065 4.675 4.740 -0.001 0.000 0.185 79 N C 1.673 177.060 175.510 -0.205 0.000 1.068 79 N CA 1.096 53.998 53.050 -0.246 0.000 0.911 79 N CB -0.736 37.598 38.487 -0.256 0.000 0.961 79 N HN 0.658 nan 8.380 nan 0.000 0.446 80 V N -2.749 117.106 119.914 -0.099 0.000 2.719 80 V HA 0.114 4.233 4.120 -0.001 0.000 0.252 80 V C 0.598 176.514 176.094 -0.297 0.000 1.065 80 V CA 0.712 62.905 62.300 -0.179 0.000 1.086 80 V CB -0.748 30.917 31.823 -0.264 0.000 0.700 80 V HN -0.151 nan 8.190 nan 0.000 0.467 81 F N 0.809 120.712 119.950 -0.079 0.000 2.397 81 F HA 0.651 5.177 4.527 -0.001 0.000 0.331 81 F C 0.736 176.472 175.800 -0.106 0.000 1.090 81 F CA -0.174 57.781 58.000 -0.077 0.000 1.065 81 F CB 1.564 40.515 39.000 -0.083 0.000 1.184 81 F HN -0.115 nan 8.300 nan 0.000 0.499 82 T N 1.536 116.170 114.554 0.133 0.000 2.884 82 T HA 0.590 4.940 4.350 -0.001 0.000 0.277 82 T C -0.845 173.881 174.700 0.043 0.000 0.976 82 T CA -0.545 61.585 62.100 0.051 0.000 0.956 82 T CB 0.643 69.537 68.868 0.043 0.000 1.113 82 T HN 0.809 nan 8.240 nan 0.000 0.554 83 N N -0.457 118.241 118.700 -0.004 0.000 2.494 83 N HA 0.351 5.090 4.740 -0.001 0.000 0.270 83 N C 0.337 175.824 175.510 -0.038 0.000 1.285 83 N CA -0.832 52.199 53.050 -0.032 0.000 0.812 83 N CB 1.024 39.470 38.487 -0.068 0.000 1.557 83 N HN 0.539 nan 8.380 nan 0.000 0.487 84 E N -0.439 119.736 120.200 -0.042 0.000 2.038 84 E HA -0.123 4.226 4.350 -0.001 0.000 0.195 84 E C -0.977 175.583 176.600 -0.066 0.000 1.000 84 E CA 1.646 58.021 56.400 -0.042 0.000 0.803 84 E CB -0.929 28.749 29.700 -0.036 0.000 0.750 84 E HN 0.547 nan 8.360 nan 0.000 0.448 85 P HA -0.201 nan 4.420 nan 0.000 0.216 85 P C 1.063 178.253 177.300 -0.183 0.000 1.153 85 P CA 1.940 64.956 63.100 -0.139 0.000 0.858 85 P CB -0.023 31.576 31.700 -0.168 0.000 0.789 86 A N -0.977 121.733 122.820 -0.185 0.000 1.930 86 A HA -0.135 4.185 4.320 -0.001 0.000 0.217 86 A C 2.196 179.776 177.584 -0.006 0.000 1.175 86 A CA 1.307 53.218 52.037 -0.208 0.000 0.627 86 A CB -1.591 17.328 19.000 -0.136 0.000 0.815 86 A HN 0.109 nan 8.150 nan 0.000 0.443 87 L N -1.043 120.179 121.223 -0.002 0.000 2.027 87 L HA -0.168 4.171 4.340 -0.001 0.000 0.206 87 L C 2.859 179.731 176.870 0.002 0.000 1.074 87 L CA 1.421 56.277 54.840 0.026 0.000 0.745 87 L CB -0.470 41.595 42.059 0.010 0.000 0.898 87 L HN 0.324 nan 8.230 nan 0.000 0.433 88 R N -0.403 120.074 120.500 -0.038 0.000 2.081 88 R HA -0.170 4.170 4.340 -0.001 0.000 0.235 88 R C 2.215 178.461 176.300 -0.089 0.000 1.131 88 R CA 1.221 57.287 56.100 -0.058 0.000 0.960 88 R CB -0.504 29.757 30.300 -0.065 0.000 0.856 88 R HN 0.188 nan 8.270 nan 0.000 0.436 89 L N 0.424 121.587 121.223 -0.100 0.000 2.056 89 L HA 0.016 4.355 4.340 -0.001 0.000 0.207 89 L C 2.154 179.033 176.870 0.015 0.000 1.078 89 L CA 2.020 56.788 54.840 -0.120 0.000 0.749 89 L CB -0.977 40.963 42.059 -0.198 0.000 0.901 89 L HN 0.161 nan 8.230 nan 0.000 0.433 90 G N -0.809 108.112 108.800 0.202 0.000 2.440 90 G HA2 -0.360 3.599 3.960 -0.001 0.000 0.218 90 G HA3 -0.360 3.599 3.960 -0.001 0.000 0.218 90 G C 1.734 176.627 174.900 -0.012 0.000 1.154 90 G CA 0.898 46.092 45.100 0.156 0.000 0.767 90 G HN 0.370 nan 8.290 nan 0.000 0.552 91 R N 0.975 121.459 120.500 -0.027 0.000 2.091 91 R HA 0.006 4.346 4.340 -0.001 0.000 0.238 91 R C 2.381 178.624 176.300 -0.094 0.000 1.136 91 R CA 1.789 57.859 56.100 -0.050 0.000 0.959 91 R CB -0.559 29.720 30.300 -0.035 0.000 0.856 91 R HN 0.358 nan 8.270 nan 0.000 0.437 92 K N -0.188 120.097 120.400 -0.193 0.000 2.057 92 K HA -0.064 4.256 4.320 -0.001 0.000 0.207 92 K C 2.091 178.473 176.600 -0.362 0.000 1.049 92 K CA 1.609 57.682 56.287 -0.355 0.000 0.931 92 K CB -0.189 31.876 32.500 -0.725 0.000 0.714 92 K HN 0.172 nan 8.250 nan 0.000 0.440 93 L N 0.616 121.650 121.223 -0.315 0.000 2.056 93 L HA -0.154 4.186 4.340 -0.001 0.000 0.207 93 L C 2.278 179.137 176.870 -0.018 0.000 1.078 93 L CA 1.022 55.822 54.840 -0.067 0.000 0.749 93 L CB -0.299 41.748 42.059 -0.020 0.000 0.901 93 L HN 0.156 nan 8.230 nan 0.000 0.433 94 I N -0.236 120.292 120.570 -0.071 0.000 2.179 94 I HA -0.289 3.881 4.170 -0.001 0.000 0.242 94 I C 2.027 178.136 176.117 -0.014 0.000 1.088 94 I CA 1.214 62.469 61.300 -0.075 0.000 1.357 94 I CB -0.327 37.628 38.000 -0.076 0.000 1.051 94 I HN 0.238 nan 8.210 nan 0.000 0.409 95 D N 0.851 121.258 120.400 0.013 0.000 2.178 95 D HA -0.110 4.530 4.640 -0.001 0.000 0.201 95 D C 2.040 178.406 176.300 0.109 0.000 0.980 95 D CA 1.448 55.479 54.000 0.052 0.000 0.842 95 D CB -0.026 40.803 40.800 0.049 0.000 0.948 95 D HN 0.364 nan 8.370 nan 0.000 0.472 96 A N -0.209 122.714 122.820 0.172 0.000 2.195 96 A HA 0.195 4.515 4.320 -0.001 0.000 0.210 96 A C 1.188 178.933 177.584 0.268 0.000 1.165 96 A CA 0.831 53.023 52.037 0.257 0.000 0.806 96 A CB 0.028 19.298 19.000 0.450 0.000 0.847 96 A HN 0.321 nan 8.150 nan 0.000 0.482 97 T N -4.930 109.752 114.554 0.214 0.000 2.742 97 T HA 0.462 4.812 4.350 -0.001 0.000 0.282 97 T C 0.743 175.530 174.700 0.144 0.000 1.025 97 T CA 0.022 62.277 62.100 0.259 0.000 1.020 97 T CB 0.368 69.333 68.868 0.163 0.000 1.317 97 T HN 0.585 nan 8.240 nan 0.000 0.538 98 F N 0.871 120.905 119.950 0.139 0.000 2.451 98 F HA 0.487 5.014 4.527 -0.001 0.000 0.299 98 F C 1.043 176.811 175.800 -0.053 0.000 1.101 98 F CA -0.420 57.581 58.000 0.002 0.000 1.436 98 F CB -1.207 37.711 39.000 -0.137 0.000 1.074 98 F HN 0.722 nan 8.300 nan 0.000 0.553 99 A N 1.125 123.382 122.820 -0.938 0.000 2.483 99 A HA 0.192 4.512 4.320 -0.001 0.000 0.238 99 A C 0.975 178.375 177.584 -0.308 0.000 1.070 99 A CA 0.126 51.703 52.037 -0.766 0.000 0.770 99 A CB 0.093 18.654 19.000 -0.732 0.000 1.008 99 A HN 0.621 nan 8.150 nan 0.000 0.497 100 E N 0.101 120.169 120.200 -0.221 0.000 2.485 100 E HA 0.105 4.455 4.350 -0.001 0.000 0.213 100 E C -0.186 176.345 176.600 -0.115 0.000 0.923 100 E CA -0.004 56.323 56.400 -0.122 0.000 1.054 100 E CB 0.538 30.195 29.700 -0.072 0.000 1.077 100 E HN 0.517 nan 8.360 nan 0.000 0.509 101 R N 0.811 121.221 120.500 -0.150 0.000 2.673 101 R HA 0.545 4.885 4.340 -0.001 0.000 0.281 101 R C -1.083 175.104 176.300 -0.188 0.000 0.991 101 R CA -0.738 55.286 56.100 -0.128 0.000 0.896 101 R CB 2.243 32.493 30.300 -0.082 0.000 1.201 101 R HN -0.154 nan 8.270 nan 0.000 0.457 102 V N 2.938 122.728 119.914 -0.206 0.000 2.789 102 V HA 0.557 4.677 4.120 -0.001 0.000 0.311 102 V C -0.528 175.354 176.094 -0.353 0.000 1.073 102 V CA -0.907 61.180 62.300 -0.356 0.000 0.921 102 V CB 2.746 34.250 31.823 -0.532 0.000 1.009 102 V HN 0.546 nan 8.190 nan 0.000 0.426 103 L N 3.849 124.853 121.223 -0.365 0.000 2.376 103 L HA 0.631 4.970 4.340 -0.001 0.000 0.275 103 L C -1.357 175.366 176.870 -0.244 0.000 0.987 103 L CA -0.215 54.521 54.840 -0.173 0.000 0.828 103 L CB 1.433 43.507 42.059 0.025 0.000 1.249 103 L HN 0.525 nan 8.230 nan 0.000 0.409 104 F N 5.409 125.401 119.950 0.070 0.000 2.404 104 F HA 0.543 5.070 4.527 -0.001 0.000 0.339 104 F C 0.647 176.475 175.800 0.047 0.000 1.105 104 F CA -0.590 57.434 58.000 0.040 0.000 1.087 104 F CB 1.502 40.505 39.000 0.005 0.000 1.143 104 F HN 0.353 nan 8.300 nan 0.000 0.491 105 M N 0.819 120.570 119.600 0.252 0.000 3.043 105 M HA 0.433 4.913 4.480 -0.001 0.000 0.296 105 M C -0.415 175.978 176.300 0.155 0.000 1.272 105 M CA -0.674 54.726 55.300 0.166 0.000 0.789 105 M CB 0.764 33.431 32.600 0.112 0.000 1.846 105 M HN 0.309 nan 8.290 nan 0.000 0.447 106 N N 0.264 119.035 118.700 0.117 0.000 2.414 106 N HA 0.106 4.845 4.740 -0.001 0.000 0.177 106 N C 0.154 175.720 175.510 0.093 0.000 1.062 106 N CA 0.617 53.734 53.050 0.111 0.000 0.890 106 N CB 0.926 39.466 38.487 0.089 0.000 1.070 106 N HN 0.736 nan 8.380 nan 0.000 0.454 107 S N -1.827 113.917 115.700 0.074 0.000 2.618 107 S HA 0.569 5.039 4.470 -0.001 0.000 0.277 107 S C 1.016 175.645 174.600 0.048 0.000 1.138 107 S CA -0.417 57.818 58.200 0.058 0.000 0.844 107 S CB 1.567 64.789 63.200 0.037 0.000 1.127 107 S HN 0.034 nan 8.310 nan 0.000 0.474 108 G N 0.980 109.808 108.800 0.048 0.000 2.440 108 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.218 108 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.218 108 G C 1.096 175.979 174.900 -0.028 0.000 1.154 108 G CA 1.621 46.740 45.100 0.032 0.000 0.767 108 G HN 0.778 nan 8.290 nan 0.000 0.552 109 T N 0.859 115.392 114.554 -0.035 0.000 2.684 109 T HA -0.097 4.252 4.350 -0.001 0.000 0.267 109 T C 2.183 176.831 174.700 -0.086 0.000 1.036 109 T CA 1.584 63.637 62.100 -0.078 0.000 1.148 109 T CB -0.199 68.639 68.868 -0.049 0.000 0.863 109 T HN 0.479 nan 8.240 nan 0.000 0.436 110 E N 0.855 121.034 120.200 -0.036 0.000 2.106 110 E HA -0.032 4.318 4.350 -0.001 0.000 0.192 110 E C 2.597 179.169 176.600 -0.048 0.000 0.984 110 E CA 0.868 57.256 56.400 -0.021 0.000 0.806 110 E CB -0.203 29.509 29.700 0.021 0.000 0.750 110 E HN 0.482 nan 8.360 nan 0.000 0.458 111 A N 1.923 124.715 122.820 -0.047 0.000 1.877 111 A HA -0.215 4.105 4.320 -0.001 0.000 0.216 111 A C 1.907 179.376 177.584 -0.191 0.000 1.186 111 A CA 1.478 53.478 52.037 -0.062 0.000 0.620 111 A CB -0.443 18.550 19.000 -0.012 0.000 0.822 111 A HN 0.128 nan 8.150 nan 0.000 0.443 112 N N -0.037 118.473 118.700 -0.317 0.000 2.120 112 N HA -0.120 4.620 4.740 -0.001 0.000 0.188 112 N C 1.657 176.540 175.510 -1.046 0.000 1.024 112 N CA 1.249 53.833 53.050 -0.777 0.000 0.852 112 N CB -0.371 37.684 38.487 -0.720 0.000 1.003 112 N HN 0.477 nan 8.380 nan 0.000 0.424 113 E N 0.327 120.237 120.200 -0.483 0.000 2.070 113 E HA -0.125 4.224 4.350 -0.001 0.000 0.197 113 E C 1.768 178.341 176.600 -0.046 0.000 1.004 113 E CA 1.333 57.627 56.400 -0.176 0.000 0.805 113 E CB -0.467 29.233 29.700 0.001 0.000 0.744 113 E HN 0.397 nan 8.360 nan 0.000 0.451 114 T N 1.285 115.813 114.554 -0.044 0.000 2.746 114 T HA -0.115 4.234 4.350 -0.001 0.000 0.267 114 T C 1.988 176.748 174.700 0.100 0.000 1.039 114 T CA 1.481 63.633 62.100 0.086 0.000 1.142 114 T CB -0.264 68.653 68.868 0.081 0.000 0.866 114 T HN 0.276 nan 8.240 nan 0.000 0.444 115 A N 1.119 123.894 122.820 -0.075 0.000 1.883 115 A HA -0.025 4.294 4.320 -0.001 0.000 0.217 115 A C 2.093 179.752 177.584 0.125 0.000 1.186 115 A CA 1.402 53.412 52.037 -0.045 0.000 0.624 115 A CB -1.085 17.828 19.000 -0.146 0.000 0.822 115 A HN 0.593 nan 8.150 nan 0.000 0.444 116 F N -0.217 119.736 119.950 0.005 0.000 2.146 116 F HA -0.131 4.396 4.527 -0.001 0.000 0.298 116 F C 2.457 178.389 175.800 0.219 0.000 1.096 116 F CA 1.115 59.122 58.000 0.011 0.000 1.275 116 F CB -0.203 38.630 39.000 -0.279 0.000 1.008 116 F HN 0.127 nan 8.300 nan 0.000 0.480 117 K N 0.332 121.018 120.400 0.477 0.000 2.063 117 K HA -0.207 4.112 4.320 -0.001 0.000 0.208 117 K C 1.914 178.721 176.600 0.345 0.000 1.048 117 K CA 1.221 57.762 56.287 0.422 0.000 0.928 117 K CB -0.429 32.297 32.500 0.377 0.000 0.713 117 K HN 0.135 nan 8.250 nan 0.000 0.442 118 L N 1.053 122.415 121.223 0.232 0.000 2.017 118 L HA -0.116 4.223 4.340 -0.001 0.000 0.208 118 L C 2.194 179.045 176.870 -0.031 0.000 1.073 118 L CA 1.865 56.605 54.840 -0.166 0.000 0.745 118 L CB -0.743 41.093 42.059 -0.372 0.000 0.894 118 L HN 0.120 nan 8.230 nan 0.000 0.432 119 A N -0.588 122.266 122.820 0.056 0.000 1.908 119 A HA -0.194 4.126 4.320 -0.001 0.000 0.218 119 A C 2.390 180.054 177.584 0.134 0.000 1.181 119 A CA 1.501 53.579 52.037 0.069 0.000 0.627 119 A CB -0.528 18.511 19.000 0.066 0.000 0.818 119 A HN 0.430 nan 8.150 nan 0.000 0.445 120 R N -1.309 119.297 120.500 0.177 0.000 2.073 120 R HA -0.147 4.193 4.340 -0.001 0.000 0.234 120 R C 2.162 178.559 176.300 0.163 0.000 1.134 120 R CA 1.964 58.168 56.100 0.173 0.000 0.952 120 R CB -0.929 29.501 30.300 0.216 0.000 0.850 120 R HN 0.794 nan 8.270 nan 0.000 0.433 121 H N -0.429 118.696 119.070 0.092 0.000 2.395 121 H HA -0.123 4.432 4.556 -0.001 0.000 0.299 121 H C 1.819 177.157 175.328 0.017 0.000 1.070 121 H CA 1.643 57.728 56.048 0.063 0.000 1.356 121 H CB -0.284 29.560 29.762 0.138 0.000 1.401 121 H HN 0.212 nan 8.280 nan 0.000 0.524 122 Y N 0.424 120.664 120.300 -0.101 0.000 2.097 122 Y HA -0.270 4.280 4.550 -0.001 0.000 0.282 122 Y C 2.597 178.427 175.900 -0.117 0.000 1.152 122 Y CA 2.078 60.089 58.100 -0.149 0.000 1.136 122 Y CB -0.782 37.604 38.460 -0.123 0.000 0.975 122 Y HN 0.284 nan 8.280 nan 0.000 0.498 123 A N -0.869 122.009 122.820 0.097 0.000 1.933 123 A HA -0.267 4.052 4.320 -0.001 0.000 0.218 123 A C 2.472 180.002 177.584 -0.090 0.000 1.175 123 A CA 1.676 53.752 52.037 0.066 0.000 0.628 123 A CB -1.807 17.254 19.000 0.101 0.000 0.814 123 A HN 0.745 nan 8.150 nan 0.000 0.444 124 C N -0.352 118.862 119.300 -0.145 0.000 2.432 124 C HA -0.079 4.380 4.460 -0.001 0.000 0.277 124 C C 2.832 177.643 174.990 -0.299 0.000 1.249 124 C CA 1.773 60.664 59.018 -0.211 0.000 1.725 124 C CB -1.291 26.337 27.740 -0.187 0.000 2.028 124 C HN 0.706 nan 8.230 nan 0.000 0.477 125 V N -0.521 119.144 119.914 -0.415 0.000 2.649 125 V HA 0.123 4.243 4.120 -0.001 0.000 0.248 125 V C 2.483 178.332 176.094 -0.409 0.000 1.054 125 V CA 1.396 63.453 62.300 -0.405 0.000 1.073 125 V CB -0.870 30.683 31.823 -0.450 0.000 0.699 125 V HN 0.409 nan 8.190 nan 0.000 0.463 126 R N -0.735 119.436 120.500 -0.548 0.000 2.140 126 R HA 0.156 4.495 4.340 -0.001 0.000 0.213 126 R C 2.012 177.877 176.300 -0.725 0.000 1.059 126 R CA 1.484 57.148 56.100 -0.728 0.000 1.000 126 R CB -0.322 29.291 30.300 -1.144 0.000 0.910 126 R HN 0.683 nan 8.270 nan 0.000 0.455 127 H N -1.872 117.047 119.070 -0.252 0.000 2.143 127 H HA 0.273 4.828 4.556 -0.001 0.000 0.238 127 H C 0.034 175.257 175.328 -0.174 0.000 0.914 127 H CA 0.288 56.230 56.048 -0.177 0.000 1.154 127 H CB 0.790 30.468 29.762 -0.140 0.000 1.359 127 H HN -0.017 nan 8.280 nan 0.000 0.493 128 S N 0.682 116.339 115.700 -0.072 0.000 2.556 128 S HA 0.167 4.637 4.470 -0.001 0.000 0.280 128 S C -2.382 172.058 174.600 -0.268 0.000 1.141 128 S CA -0.985 57.106 58.200 -0.181 0.000 0.883 128 S CB 1.891 65.017 63.200 -0.123 0.000 1.103 128 S HN -0.070 nan 8.310 nan 0.000 0.453 129 P HA 0.069 nan 4.420 nan 0.000 0.228 129 P C 0.883 177.961 177.300 -0.370 0.000 1.151 129 P CA 0.906 63.732 63.100 -0.457 0.000 0.770 129 P CB -0.242 31.099 31.700 -0.599 0.000 0.786 130 F N -0.071 119.856 119.950 -0.038 0.000 2.776 130 F HA 0.182 4.709 4.527 -0.001 0.000 0.300 130 F C 1.528 177.309 175.800 -0.033 0.000 1.116 130 F CA -0.340 57.660 58.000 0.002 0.000 1.375 130 F CB -0.102 38.929 39.000 0.052 0.000 1.109 130 F HN -0.243 nan 8.300 nan 0.000 0.585 131 K N 1.913 122.306 120.400 -0.012 0.000 2.111 131 K HA 0.068 4.388 4.320 -0.001 0.000 0.249 131 K C 0.578 177.192 176.600 0.024 0.000 1.157 131 K CA 0.240 56.498 56.287 -0.048 0.000 1.048 131 K CB -0.122 32.320 32.500 -0.096 0.000 1.498 131 K HN 0.208 nan 8.250 nan 0.000 0.344 132 T N -0.980 113.618 114.554 0.072 0.000 2.975 132 T HA 0.151 4.501 4.350 -0.001 0.000 0.261 132 T C 0.200 174.927 174.700 0.045 0.000 0.984 132 T CA -0.398 61.742 62.100 0.067 0.000 0.911 132 T CB 0.174 69.094 68.868 0.087 0.000 1.127 132 T HN 0.238 nan 8.240 nan 0.000 0.514 133 K N 1.639 122.057 120.400 0.030 0.000 2.451 133 K HA 0.378 4.697 4.320 -0.001 0.000 0.280 133 K C -0.647 175.913 176.600 -0.066 0.000 1.020 133 K CA 0.208 56.482 56.287 -0.022 0.000 1.008 133 K CB 0.581 33.058 32.500 -0.038 0.000 0.917 133 K HN 0.381 nan 8.250 nan 0.000 0.478 134 I N 4.635 125.139 120.570 -0.111 0.000 2.406 134 I HA 0.225 4.395 4.170 -0.001 0.000 0.290 134 I C -0.317 175.633 176.117 -0.277 0.000 0.999 134 I CA -0.939 60.246 61.300 -0.191 0.000 1.124 134 I CB 1.325 39.185 38.000 -0.232 0.000 1.289 134 I HN 0.322 nan 8.210 nan 0.000 0.441 135 I N 5.647 126.038 120.570 -0.298 0.000 2.315 135 I HA 0.606 4.775 4.170 -0.001 0.000 0.291 135 I C 0.476 176.269 176.117 -0.539 0.000 1.006 135 I CA -0.102 60.954 61.300 -0.406 0.000 1.265 135 I CB 0.807 38.603 38.000 -0.340 0.000 1.387 135 I HN 0.611 nan 8.210 nan 0.000 0.475 136 A N 6.369 128.781 122.820 -0.681 0.000 2.443 136 A HA 0.939 5.258 4.320 -0.001 0.000 0.278 136 A C -1.364 175.820 177.584 -0.667 0.000 1.252 136 A CA -0.472 51.232 52.037 -0.556 0.000 0.816 136 A CB 1.395 20.219 19.000 -0.292 0.000 1.369 136 A HN 0.410 nan 8.150 nan 0.000 0.446 137 F N -0.179 119.927 119.950 0.260 0.000 2.563 137 F HA 0.443 4.970 4.527 -0.001 0.000 0.316 137 F C 0.361 176.291 175.800 0.216 0.000 1.076 137 F CA -0.598 57.527 58.000 0.207 0.000 0.921 137 F CB 1.346 40.548 39.000 0.336 0.000 1.209 137 F HN 0.463 nan 8.300 nan 0.000 0.462 138 H N 2.842 122.144 119.070 0.387 0.000 2.972 138 H HA 0.031 4.586 4.556 -0.000 0.000 0.343 138 H C 0.486 175.908 175.328 0.157 0.000 1.054 138 H CA 0.751 56.913 56.048 0.192 0.000 1.412 138 H CB 0.324 30.177 29.762 0.152 0.000 1.385 138 H HN 0.626 nan 8.280 nan 0.000 0.600 139 N N -1.631 117.194 118.700 0.210 0.000 2.863 139 N HA -0.177 4.562 4.740 -0.001 0.000 0.245 139 N C -0.005 175.552 175.510 0.079 0.000 1.001 139 N CA 0.968 54.087 53.050 0.115 0.000 0.901 139 N CB -1.265 37.262 38.487 0.066 0.000 1.124 139 N HN 0.727 nan 8.380 nan 0.000 0.582 140 A N 0.223 123.113 122.820 0.116 0.000 2.425 140 A HA 0.549 4.869 4.320 -0.001 0.000 0.249 140 A C -0.158 177.410 177.584 -0.026 0.000 1.084 140 A CA -0.043 51.999 52.037 0.009 0.000 0.781 140 A CB 0.169 19.252 19.000 0.137 0.000 1.019 140 A HN 0.282 nan 8.150 nan 0.000 0.490 141 F N 2.334 122.068 119.950 -0.360 0.000 2.477 141 F HA 0.539 5.066 4.527 -0.001 0.000 0.335 141 F C 0.381 175.938 175.800 -0.405 0.000 1.130 141 F CA -0.459 57.380 58.000 -0.268 0.000 0.948 141 F CB 1.378 40.295 39.000 -0.137 0.000 1.154 141 F HN 0.704 nan 8.300 nan 0.000 0.439 142 H N 3.942 122.660 119.070 -0.587 0.000 3.233 142 H HA 0.445 5.001 4.556 -0.001 0.000 0.263 142 H C 0.689 175.673 175.328 -0.573 0.000 1.168 142 H CA 0.359 56.187 56.048 -0.367 0.000 1.159 142 H CB 0.894 30.687 29.762 0.052 0.000 1.593 142 H HN 0.836 nan 8.280 nan 0.000 0.580 143 G N 0.712 108.860 108.800 -1.087 0.000 2.347 143 G HA2 -0.066 3.894 3.960 -0.001 0.000 0.341 143 G HA3 -0.066 3.894 3.960 -0.001 0.000 0.341 143 G C -0.307 174.390 174.900 -0.338 0.000 1.287 143 G CA -0.893 43.834 45.100 -0.622 0.000 0.984 143 G HN 0.155 nan 8.290 nan 0.000 0.526 144 R N -0.273 120.165 120.500 -0.104 0.000 2.535 144 R HA 0.319 4.658 4.340 -0.001 0.000 0.323 144 R C 1.327 177.590 176.300 -0.062 0.000 0.979 144 R CA 0.476 56.558 56.100 -0.030 0.000 1.120 144 R CB 0.796 31.114 30.300 0.030 0.000 1.306 144 R HN 0.780 nan 8.270 nan 0.000 0.540 145 S N 0.052 115.729 115.700 -0.038 0.000 2.600 145 S HA 0.024 4.494 4.470 -0.001 0.000 0.265 145 S C 1.235 175.843 174.600 0.013 0.000 1.325 145 S CA -0.637 57.553 58.200 -0.016 0.000 1.002 145 S CB 1.133 64.353 63.200 0.033 0.000 0.921 145 S HN 0.119 nan 8.310 nan 0.000 0.554 146 L N 0.934 122.170 121.223 0.022 0.000 2.042 146 L HA 0.003 4.343 4.340 -0.001 0.000 0.210 146 L C 2.052 179.057 176.870 0.225 0.000 1.076 146 L CA 1.893 56.776 54.840 0.072 0.000 0.749 146 L CB -1.089 41.011 42.059 0.069 0.000 0.893 146 L HN 0.828 nan 8.230 nan 0.000 0.432 147 F N 0.242 120.233 119.950 0.069 0.000 2.084 147 F HA -0.177 4.350 4.527 -0.001 0.000 0.296 147 F C 2.711 178.617 175.800 0.177 0.000 1.111 147 F CA 1.905 59.977 58.000 0.121 0.000 1.224 147 F CB -1.175 37.907 39.000 0.136 0.000 0.991 147 F HN 0.352 nan 8.300 nan 0.000 0.471 148 T N -2.233 112.415 114.554 0.158 0.000 2.821 148 T HA -0.135 4.215 4.350 -0.001 0.000 0.267 148 T C 2.173 176.939 174.700 0.110 0.000 1.046 148 T CA 1.370 63.538 62.100 0.112 0.000 1.139 148 T CB -1.251 67.634 68.868 0.028 0.000 0.871 148 T HN 0.131 nan 8.240 nan 0.000 0.454 149 V N 1.230 121.202 119.914 0.097 0.000 2.809 149 V HA -0.061 4.059 4.120 -0.001 0.000 0.256 149 V C 2.593 178.806 176.094 0.198 0.000 1.080 149 V CA 1.801 64.178 62.300 0.128 0.000 1.102 149 V CB -0.615 31.283 31.823 0.124 0.000 0.705 149 V HN 0.579 nan 8.190 nan 0.000 0.475 150 S N -0.574 115.252 115.700 0.211 0.000 2.414 150 S HA -0.082 4.388 4.470 -0.001 0.000 0.227 150 S C 1.816 176.573 174.600 0.262 0.000 1.022 150 S CA 1.315 59.663 58.200 0.247 0.000 0.958 150 S CB 0.251 63.614 63.200 0.271 0.000 0.797 150 S HN 0.474 nan 8.310 nan 0.000 0.493 151 V N 1.666 121.659 119.914 0.132 0.000 2.548 151 V HA 0.036 4.156 4.120 -0.001 0.000 0.249 151 V C 1.672 178.006 176.094 0.400 0.000 1.055 151 V CA 0.868 63.184 62.300 0.026 0.000 1.065 151 V CB -1.417 30.113 31.823 -0.490 0.000 0.681 151 V HN 0.488 nan 8.190 nan 0.000 0.462 152 G N -0.020 109.008 108.800 0.380 0.000 2.562 152 G HA2 0.319 4.278 3.960 -0.001 0.000 0.233 152 G HA3 0.319 4.278 3.960 -0.001 0.000 0.233 152 G C 0.779 175.806 174.900 0.211 0.000 1.266 152 G CA 0.243 45.530 45.100 0.311 0.000 0.852 152 G HN 0.510 nan 8.290 nan 0.000 0.581 153 G N -0.093 108.779 108.800 0.120 0.000 3.959 153 G HA2 0.386 4.346 3.960 -0.001 0.000 0.298 153 G HA3 0.386 4.346 3.960 -0.001 0.000 0.298 153 G C 0.278 175.174 174.900 -0.005 0.000 1.211 153 G CA -0.283 44.763 45.100 -0.090 0.000 1.001 153 G HN 0.547 nan 8.290 nan 0.000 0.561 154 Q N 0.362 120.198 119.800 0.060 0.000 2.523 154 Q HA 0.226 4.565 4.340 -0.001 0.000 0.251 154 Q C -1.950 174.065 176.000 0.024 0.000 1.033 154 Q CA -1.802 54.044 55.803 0.071 0.000 0.746 154 Q CB 2.649 31.542 28.738 0.258 0.000 1.189 154 Q HN 0.014 nan 8.270 nan 0.000 0.508 155 P HA -0.305 nan 4.420 nan 0.000 0.217 155 P C 1.396 178.680 177.300 -0.027 0.000 1.151 155 P CA 1.821 64.910 63.100 -0.018 0.000 0.849 155 P CB 0.285 31.962 31.700 -0.038 0.000 0.787 156 K N -0.814 119.500 120.400 -0.144 0.000 2.152 156 K HA -0.196 4.124 4.320 -0.001 0.000 0.206 156 K C 1.979 178.499 176.600 -0.133 0.000 1.048 156 K CA 1.866 58.020 56.287 -0.221 0.000 0.933 156 K CB -2.157 30.098 32.500 -0.409 0.000 0.721 156 K HN 0.346 nan 8.250 nan 0.000 0.447 157 Y N 0.642 121.028 120.300 0.142 0.000 2.517 157 Y HA -0.023 4.527 4.550 -0.001 0.000 0.281 157 Y C 2.692 178.797 175.900 0.343 0.000 1.125 157 Y CA 0.677 58.916 58.100 0.231 0.000 1.283 157 Y CB 0.573 39.163 38.460 0.217 0.000 1.042 157 Y HN 0.402 nan 8.280 nan 0.000 0.547 158 S N -2.113 113.812 115.700 0.375 0.000 2.502 158 S HA 0.053 4.522 4.470 -0.001 0.000 0.215 158 S C 0.110 174.909 174.600 0.333 0.000 1.009 158 S CA -0.358 58.071 58.200 0.383 0.000 0.908 158 S CB -0.039 63.319 63.200 0.263 0.000 0.801 158 S HN 0.043 nan 8.310 nan 0.000 0.505 159 D N 2.020 122.514 120.400 0.157 0.000 2.399 159 D HA 0.460 5.099 4.640 -0.001 0.000 0.241 159 D C 1.203 177.363 176.300 -0.232 0.000 1.133 159 D CA 1.551 55.555 54.000 0.006 0.000 0.890 159 D CB 0.665 41.441 40.800 -0.040 0.000 1.201 159 D HN 0.408 nan 8.370 nan 0.000 0.432 160 G N 1.010 109.663 108.800 -0.245 0.000 2.132 160 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.228 160 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.228 160 G C 0.396 174.932 174.900 -0.606 0.000 1.000 160 G CA -0.204 44.639 45.100 -0.427 0.000 0.693 160 G HN 0.429 nan 8.290 nan 0.000 0.515 161 F N 0.833 120.821 119.950 0.063 0.000 2.735 161 F HA 0.492 5.019 4.527 -0.001 0.000 0.308 161 F C 1.568 177.402 175.800 0.056 0.000 1.112 161 F CA 0.364 58.403 58.000 0.064 0.000 1.235 161 F CB 0.820 39.868 39.000 0.079 0.000 1.027 161 F HN 0.816 nan 8.300 nan 0.000 0.528 162 G N 1.065 109.951 108.800 0.144 0.000 2.725 162 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.220 162 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.220 162 G C -2.672 172.298 174.900 0.116 0.000 1.357 162 G CA -1.479 43.686 45.100 0.108 0.000 0.866 162 G HN 0.014 nan 8.290 nan 0.000 0.548 163 P HA 0.245 nan 4.420 nan 0.000 0.258 163 P C 0.111 177.470 177.300 0.098 0.000 1.187 163 P CA 0.430 63.577 63.100 0.080 0.000 0.767 163 P CB 0.277 32.011 31.700 0.057 0.000 0.770 164 K N 5.080 125.547 120.400 0.111 0.000 2.237 164 K HA 0.244 4.564 4.320 -0.001 0.000 0.270 164 K C -1.910 174.752 176.600 0.103 0.000 1.015 164 K CA -1.572 54.795 56.287 0.134 0.000 0.949 164 K CB -0.180 32.416 32.500 0.159 0.000 0.976 164 K HN 0.385 nan 8.250 nan 0.000 0.472 165 P HA -0.017 nan 4.420 nan 0.000 0.263 165 P C -0.758 176.596 177.300 0.089 0.000 1.195 165 P CA 0.056 63.182 63.100 0.044 0.000 0.762 165 P CB 0.739 32.414 31.700 -0.042 0.000 0.799 166 A N 2.729 125.580 122.820 0.051 0.000 2.250 166 A HA 0.359 4.679 4.320 -0.001 0.000 0.283 166 A C 0.429 178.048 177.584 0.059 0.000 1.206 166 A CA -0.193 51.880 52.037 0.058 0.000 0.840 166 A CB -0.315 18.710 19.000 0.041 0.000 1.220 166 A HN 0.563 nan 8.150 nan 0.000 0.505 167 D N -1.711 118.712 120.400 0.038 0.000 2.746 167 D HA -0.133 4.507 4.640 -0.001 0.000 0.236 167 D C -0.719 175.572 176.300 -0.014 0.000 1.129 167 D CA 1.253 55.263 54.000 0.017 0.000 0.691 167 D CB -1.443 39.377 40.800 0.034 0.000 1.077 167 D HN 0.458 nan 8.370 nan 0.000 0.432 168 I N 0.532 121.082 120.570 -0.033 0.000 2.406 168 I HA 0.414 4.584 4.170 -0.001 0.000 0.290 168 I C 0.452 176.440 176.117 -0.215 0.000 0.999 168 I CA -0.789 60.422 61.300 -0.149 0.000 1.124 168 I CB 1.540 39.465 38.000 -0.125 0.000 1.289 168 I HN -0.158 nan 8.210 nan 0.000 0.441 169 I N 5.555 125.930 120.570 -0.325 0.000 2.406 169 I HA 0.324 4.493 4.170 -0.001 0.000 0.290 169 I C -0.648 175.198 176.117 -0.451 0.000 0.999 169 I CA -0.418 60.717 61.300 -0.275 0.000 1.124 169 I CB 1.217 39.103 38.000 -0.189 0.000 1.289 169 I HN 0.505 nan 8.210 nan 0.000 0.441 170 H N 4.733 123.717 119.070 -0.143 0.000 2.459 170 H HA 0.672 5.228 4.556 -0.001 0.000 0.332 170 H C -0.427 174.659 175.328 -0.403 0.000 1.094 170 H CA -0.593 55.296 56.048 -0.264 0.000 1.224 170 H CB 1.654 31.355 29.762 -0.102 0.000 1.449 170 H HN 0.397 nan 8.280 nan 0.000 0.484 171 V N 0.852 120.497 119.914 -0.448 0.000 3.141 171 V HA 0.666 4.786 4.120 -0.001 0.000 0.312 171 V C -2.886 173.068 176.094 -0.234 0.000 1.157 171 V CA -3.191 58.923 62.300 -0.310 0.000 1.041 171 V CB 2.270 34.046 31.823 -0.078 0.000 1.071 171 V HN 0.491 nan 8.190 nan 0.000 0.441 172 P HA 0.217 nan 4.420 nan 0.000 0.268 172 P C -0.689 176.802 177.300 0.319 0.000 1.205 172 P CA 0.047 63.334 63.100 0.311 0.000 0.771 172 P CB 0.084 31.944 31.700 0.267 0.000 0.858 173 F N 3.745 123.751 119.950 0.094 0.000 2.563 173 F HA 0.012 4.539 4.527 -0.001 0.000 0.363 173 F C 1.366 176.799 175.800 -0.611 0.000 1.123 173 F CA 0.942 58.755 58.000 -0.310 0.000 1.307 173 F CB -0.112 38.767 39.000 -0.201 0.000 1.115 173 F HN 0.422 nan 8.300 nan 0.000 0.592 174 N N 1.611 118.973 118.700 -2.229 0.000 2.863 174 N HA -0.262 4.478 4.740 -0.001 0.000 0.245 174 N C -0.826 174.115 175.510 -0.948 0.000 1.001 174 N CA 1.315 53.166 53.050 -1.997 0.000 0.901 174 N CB -1.372 36.542 38.487 -0.956 0.000 1.124 174 N HN 0.639 nan 8.380 nan 0.000 0.582 175 D N 1.014 121.079 120.400 -0.558 0.000 2.485 175 D HA 0.196 4.836 4.640 -0.001 0.000 0.221 175 D C 1.210 177.632 176.300 0.204 0.000 1.112 175 D CA -0.473 53.493 54.000 -0.056 0.000 0.911 175 D CB 0.315 41.149 40.800 0.058 0.000 1.019 175 D HN 0.084 nan 8.370 nan 0.000 0.516 176 L N 4.656 126.053 121.223 0.290 0.000 2.056 176 L HA -0.109 4.230 4.340 -0.001 0.000 0.207 176 L C 2.084 179.094 176.870 0.234 0.000 1.078 176 L CA 1.740 56.794 54.840 0.356 0.000 0.749 176 L CB -0.645 41.585 42.059 0.284 0.000 0.901 176 L HN 0.602 nan 8.230 nan 0.000 0.433 177 H N -0.517 118.626 119.070 0.121 0.000 2.352 177 H HA -0.161 4.394 4.556 -0.001 0.000 0.299 177 H C 1.902 177.283 175.328 0.087 0.000 1.097 177 H CA 1.500 57.600 56.048 0.087 0.000 1.311 177 H CB 0.294 30.094 29.762 0.063 0.000 1.377 177 H HN 0.467 nan 8.280 nan 0.000 0.504 178 A N 0.586 123.430 122.820 0.040 0.000 1.902 178 A HA -0.116 4.204 4.320 -0.001 0.000 0.217 178 A C 2.836 180.402 177.584 -0.030 0.000 1.181 178 A CA 1.639 53.668 52.037 -0.013 0.000 0.623 178 A CB -0.874 18.183 19.000 0.094 0.000 0.818 178 A HN 0.311 nan 8.150 nan 0.000 0.443 179 V N 0.186 120.143 119.914 0.072 0.000 2.295 179 V HA -0.279 3.841 4.120 -0.001 0.000 0.246 179 V C 2.509 178.586 176.094 -0.027 0.000 1.049 179 V CA 2.371 64.702 62.300 0.052 0.000 1.024 179 V CB -0.713 31.223 31.823 0.188 0.000 0.648 179 V HN 0.673 nan 8.190 nan 0.000 0.447 180 K N 0.261 120.647 120.400 -0.023 0.000 2.103 180 K HA -0.207 4.113 4.320 -0.001 0.000 0.207 180 K C 2.141 178.683 176.600 -0.097 0.000 1.048 180 K CA 1.628 57.897 56.287 -0.031 0.000 0.930 180 K CB -0.314 32.182 32.500 -0.007 0.000 0.716 180 K HN 0.456 nan 8.250 nan 0.000 0.444 181 A N 0.422 123.122 122.820 -0.200 0.000 1.969 181 A HA -0.086 4.234 4.320 -0.001 0.000 0.218 181 A C 2.058 179.566 177.584 -0.127 0.000 1.169 181 A CA 1.621 53.541 52.037 -0.195 0.000 0.635 181 A CB -0.351 18.481 19.000 -0.281 0.000 0.810 181 A HN 0.284 nan 8.150 nan 0.000 0.445 182 V N -3.823 116.014 119.914 -0.128 0.000 3.354 182 V HA 0.261 4.381 4.120 -0.001 0.000 0.258 182 V C 1.055 177.047 176.094 -0.170 0.000 1.159 182 V CA 0.097 62.320 62.300 -0.129 0.000 1.125 182 V CB -0.798 30.950 31.823 -0.125 0.000 0.774 182 V HN 0.399 nan 8.190 nan 0.000 0.464 183 M N 2.926 122.395 119.600 -0.219 0.000 2.233 183 M HA 0.412 4.892 4.480 -0.001 0.000 0.350 183 M C -0.286 175.666 176.300 -0.579 0.000 1.176 183 M CA 0.281 55.347 55.300 -0.391 0.000 1.150 183 M CB 0.940 33.285 32.600 -0.425 0.000 1.530 183 M HN 0.685 nan 8.290 nan 0.000 0.459 184 D N 0.573 120.620 120.400 -0.589 0.000 2.825 184 D HA 0.145 4.785 4.640 -0.001 0.000 0.327 184 D C -0.203 176.032 176.300 -0.109 0.000 1.277 184 D CA -0.551 53.245 54.000 -0.340 0.000 0.950 184 D CB -0.026 40.718 40.800 -0.092 0.000 1.438 184 D HN 0.544 nan 8.370 nan 0.000 0.526 185 D N -1.376 119.096 120.400 0.120 0.000 2.350 185 D HA -0.145 4.494 4.640 -0.001 0.000 0.216 185 D C 0.661 176.979 176.300 0.029 0.000 0.968 185 D CA 1.171 55.235 54.000 0.107 0.000 0.894 185 D CB -0.513 40.353 40.800 0.110 0.000 0.909 185 D HN 0.429 nan 8.370 nan 0.000 0.520 186 H N -0.904 118.146 119.070 -0.033 0.000 2.526 186 H HA 0.272 4.828 4.556 -0.001 0.000 0.274 186 H C -0.149 175.155 175.328 -0.040 0.000 0.999 186 H CA 0.164 56.204 56.048 -0.014 0.000 1.157 186 H CB 0.221 29.982 29.762 -0.002 0.000 1.407 186 H HN -0.041 nan 8.280 nan 0.000 0.568 187 T N 0.255 114.809 114.554 -0.001 0.000 2.771 187 T HA 0.101 4.451 4.350 -0.001 0.000 0.291 187 T C 1.338 176.014 174.700 -0.041 0.000 0.954 187 T CA -0.299 61.770 62.100 -0.051 0.000 1.045 187 T CB 0.964 69.753 68.868 -0.131 0.000 0.917 187 T HN 0.574 nan 8.240 nan 0.000 0.484 188 C N 1.738 121.024 119.300 -0.024 0.000 2.551 188 C HA 0.749 5.209 4.460 -0.001 0.000 0.277 188 C C 0.948 175.931 174.990 -0.011 0.000 1.349 188 C CA 0.002 59.022 59.018 0.003 0.000 1.750 188 C CB -1.038 26.724 27.740 0.037 0.000 2.058 188 C HN 0.928 nan 8.230 nan 0.000 0.518 189 A N -0.087 122.704 122.820 -0.049 0.000 2.604 189 A HA 0.673 4.992 4.320 -0.001 0.000 0.295 189 A C -1.477 176.046 177.584 -0.102 0.000 1.067 189 A CA -0.227 51.769 52.037 -0.069 0.000 0.683 189 A CB 1.030 19.990 19.000 -0.066 0.000 1.281 189 A HN 0.423 nan 8.150 nan 0.000 0.407 190 V N 1.568 121.439 119.914 -0.072 0.000 2.409 190 V HA 0.513 4.633 4.120 -0.001 0.000 0.291 190 V C -0.467 175.639 176.094 0.019 0.000 1.020 190 V CA -0.522 61.751 62.300 -0.045 0.000 0.848 190 V CB 1.465 33.302 31.823 0.022 0.000 0.990 190 V HN 0.697 nan 8.190 nan 0.000 0.430 191 V N 5.788 125.691 119.914 -0.018 0.000 2.398 191 V HA 0.685 4.804 4.120 -0.001 0.000 0.286 191 V C -0.286 176.004 176.094 0.327 0.000 1.026 191 V CA -0.461 61.855 62.300 0.027 0.000 0.868 191 V CB 1.804 33.404 31.823 -0.371 0.000 0.982 191 V HN 0.607 nan 8.190 nan 0.000 0.443 192 V N 4.526 124.676 119.914 0.395 0.000 2.969 192 V HA 0.499 4.619 4.120 -0.001 0.000 0.304 192 V C -0.830 175.433 176.094 0.281 0.000 1.192 192 V CA -0.529 62.040 62.300 0.448 0.000 0.962 192 V CB 2.628 34.640 31.823 0.316 0.000 1.045 192 V HN 0.992 nan 8.190 nan 0.000 0.428 193 E N 7.069 127.425 120.200 0.260 0.000 2.152 193 E HA 0.305 4.655 4.350 -0.001 0.000 0.285 193 E C -1.933 174.676 176.600 0.015 0.000 1.043 193 E CA -1.590 54.869 56.400 0.099 0.000 0.839 193 E CB 1.665 31.386 29.700 0.034 0.000 1.069 193 E HN 0.500 nan 8.360 nan 0.000 0.399 194 P HA -0.161 nan 4.420 nan 0.000 0.216 194 P C -0.207 177.158 177.300 0.109 0.000 1.150 194 P CA 1.355 64.339 63.100 -0.193 0.000 0.843 194 P CB 0.271 31.845 31.700 -0.210 0.000 0.787 195 I N -1.038 119.578 120.570 0.078 0.000 2.447 195 I HA 0.187 4.357 4.170 -0.001 0.000 0.287 195 I C 0.034 176.085 176.117 -0.109 0.000 1.023 195 I CA -0.770 60.553 61.300 0.038 0.000 1.083 195 I CB 1.978 40.004 38.000 0.044 0.000 1.245 195 I HN -0.309 nan 8.210 nan 0.000 0.434 196 Q N 4.430 124.033 119.800 -0.328 0.000 2.381 196 Q HA 0.147 4.487 4.340 -0.001 0.000 0.243 196 Q C 1.192 177.075 176.000 -0.196 0.000 1.154 196 Q CA -0.104 55.485 55.803 -0.357 0.000 0.899 196 Q CB 1.350 29.693 28.738 -0.658 0.000 1.396 196 Q HN 0.976 nan 8.270 nan 0.000 0.485 197 G N 2.845 111.576 108.800 -0.115 0.000 2.434 197 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.214 197 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.214 197 G C 1.122 175.956 174.900 -0.110 0.000 1.202 197 G CA 0.319 45.363 45.100 -0.094 0.000 0.788 197 G HN 0.478 nan 8.290 nan 0.000 0.539 198 E N 0.832 120.966 120.200 -0.110 0.000 2.106 198 E HA -0.055 4.295 4.350 -0.001 0.000 0.192 198 E C 2.234 178.778 176.600 -0.094 0.000 0.984 198 E CA 0.796 57.114 56.400 -0.136 0.000 0.806 198 E CB -0.592 28.987 29.700 -0.203 0.000 0.750 198 E HN 0.302 nan 8.360 nan 0.000 0.458 199 G N 0.227 108.970 108.800 -0.095 0.000 3.455 199 G HA2 0.286 4.246 3.960 -0.001 0.000 0.250 199 G HA3 0.286 4.246 3.960 -0.001 0.000 0.250 199 G C 0.865 175.709 174.900 -0.093 0.000 1.071 199 G CA 0.192 45.239 45.100 -0.087 0.000 1.812 199 G HN 0.295 nan 8.290 nan 0.000 0.643 200 G N -0.638 108.121 108.800 -0.068 0.000 2.148 200 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.254 200 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.254 200 G C 0.669 175.533 174.900 -0.060 0.000 0.981 200 G CA 0.084 45.155 45.100 -0.048 0.000 0.670 200 G HN 1.561 nan 8.290 nan 0.000 0.528 201 V N -0.842 119.020 119.914 -0.087 0.000 6.016 201 V HA -0.216 3.904 4.120 -0.001 0.000 0.265 201 V C 0.422 176.481 176.094 -0.058 0.000 0.621 201 V CA 1.835 64.085 62.300 -0.082 0.000 0.592 201 V CB -1.341 30.436 31.823 -0.076 0.000 0.298 201 V HN 0.810 nan 8.190 nan 0.000 0.615 202 Q N 1.176 120.924 119.800 -0.087 0.000 2.347 202 Q HA 0.744 5.084 4.340 -0.001 0.000 0.262 202 Q C 0.301 176.360 176.000 0.098 0.000 0.980 202 Q CA 0.474 56.274 55.803 -0.004 0.000 0.867 202 Q CB 2.070 30.803 28.738 -0.008 0.000 1.242 202 Q HN 0.829 nan 8.270 nan 0.000 0.453 203 A N 2.060 124.994 122.820 0.190 0.000 2.354 203 A HA 0.648 4.968 4.320 -0.001 0.000 0.269 203 A C 0.129 177.957 177.584 0.406 0.000 1.109 203 A CA -0.274 51.936 52.037 0.287 0.000 0.800 203 A CB 0.508 19.632 19.000 0.206 0.000 1.045 203 A HN 0.772 nan 8.150 nan 0.000 0.489 204 A N 2.202 125.278 122.820 0.426 0.000 2.498 204 A HA 0.493 4.812 4.320 -0.001 0.000 0.239 204 A C 1.021 178.736 177.584 0.218 0.000 1.068 204 A CA 0.536 52.643 52.037 0.117 0.000 0.766 204 A CB -0.469 18.506 19.000 -0.041 0.000 1.003 204 A HN 1.580 nan 8.150 nan 0.000 0.497 205 T N 0.799 115.420 114.554 0.111 0.000 2.899 205 T HA 0.385 4.734 4.350 -0.001 0.000 0.295 205 T C -1.843 172.999 174.700 0.236 0.000 1.033 205 T CA -1.222 60.985 62.100 0.178 0.000 1.084 205 T CB 0.767 69.686 68.868 0.085 0.000 0.979 205 T HN 0.360 nan 8.240 nan 0.000 0.532 206 P HA -0.126 nan 4.420 nan 0.000 0.216 206 P C 1.479 178.858 177.300 0.131 0.000 1.153 206 P CA 1.079 64.328 63.100 0.249 0.000 0.858 206 P CB 0.090 31.899 31.700 0.182 0.000 0.789 207 E N -1.469 118.797 120.200 0.110 0.000 2.077 207 E HA -0.216 4.133 4.350 -0.001 0.000 0.193 207 E C 1.867 178.515 176.600 0.079 0.000 0.989 207 E CA 0.903 57.352 56.400 0.082 0.000 0.800 207 E CB -0.511 29.237 29.700 0.080 0.000 0.746 207 E HN 0.107 nan 8.360 nan 0.000 0.452 208 F N 1.005 120.912 119.950 -0.072 0.000 2.102 208 F HA -0.180 4.347 4.527 -0.000 0.000 0.298 208 F C 2.048 177.762 175.800 -0.143 0.000 1.105 208 F CA 1.188 59.105 58.000 -0.139 0.000 1.239 208 F CB -0.451 38.388 39.000 -0.268 0.000 0.991 208 F HN 0.083 nan 8.300 nan 0.000 0.474 209 L N 0.807 121.852 121.223 -0.296 0.000 2.093 209 L HA -0.132 4.207 4.340 -0.001 0.000 0.208 209 L C 2.516 179.266 176.870 -0.200 0.000 1.085 209 L CA 1.759 56.365 54.840 -0.390 0.000 0.755 209 L CB -0.884 40.925 42.059 -0.418 0.000 0.904 209 L HN 0.158 nan 8.230 nan 0.000 0.435 210 K N -1.006 119.338 120.400 -0.093 0.000 2.097 210 K HA -0.125 4.194 4.320 -0.001 0.000 0.205 210 K C 1.976 178.528 176.600 -0.079 0.000 1.050 210 K CA 1.211 57.469 56.287 -0.048 0.000 0.938 210 K CB -0.440 32.061 32.500 0.001 0.000 0.718 210 K HN 0.451 nan 8.250 nan 0.000 0.442 211 G N 1.488 110.228 108.800 -0.100 0.000 2.442 211 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.219 211 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.219 211 G C 1.484 176.308 174.900 -0.127 0.000 1.141 211 G CA 0.661 45.709 45.100 -0.087 0.000 0.763 211 G HN 0.204 nan 8.290 nan 0.000 0.554 212 L N -0.264 120.814 121.223 -0.242 0.000 2.046 212 L HA -0.036 4.303 4.340 -0.001 0.000 0.208 212 L C 2.906 179.709 176.870 -0.112 0.000 1.077 212 L CA 1.290 56.010 54.840 -0.199 0.000 0.747 212 L CB -0.375 41.505 42.059 -0.299 0.000 0.896 212 L HN 0.175 nan 8.230 nan 0.000 0.432 213 R N 0.749 121.180 120.500 -0.115 0.000 2.073 213 R HA -0.170 4.169 4.340 -0.001 0.000 0.234 213 R C 1.819 178.065 176.300 -0.090 0.000 1.134 213 R CA 1.840 57.871 56.100 -0.115 0.000 0.952 213 R CB -0.462 29.769 30.300 -0.114 0.000 0.850 213 R HN 0.286 nan 8.270 nan 0.000 0.433 214 D N -0.008 120.350 120.400 -0.071 0.000 2.117 214 D HA -0.116 4.523 4.640 -0.001 0.000 0.198 214 D C 1.957 178.228 176.300 -0.049 0.000 0.982 214 D CA 1.193 55.159 54.000 -0.056 0.000 0.828 214 D CB -0.141 40.633 40.800 -0.043 0.000 0.967 214 D HN 0.259 nan 8.370 nan 0.000 0.464 215 L N 0.208 121.416 121.223 -0.024 0.000 2.093 215 L HA -0.157 4.183 4.340 -0.001 0.000 0.208 215 L C 2.605 179.516 176.870 0.068 0.000 1.085 215 L CA 0.717 55.582 54.840 0.040 0.000 0.755 215 L CB -0.228 41.875 42.059 0.074 0.000 0.904 215 L HN 0.115 nan 8.230 nan 0.000 0.435 216 C N -0.204 119.098 119.300 0.005 0.000 2.429 216 C HA -0.160 4.299 4.460 -0.001 0.000 0.277 216 C C 2.429 177.399 174.990 -0.033 0.000 1.262 216 C CA 0.581 59.591 59.018 -0.013 0.000 1.733 216 C CB -0.764 26.936 27.740 -0.065 0.000 2.010 216 C HN 0.553 nan 8.230 nan 0.000 0.483 217 D N 0.400 120.763 120.400 -0.061 0.000 2.104 217 D HA -0.165 4.475 4.640 -0.001 0.000 0.194 217 D C 2.089 178.339 176.300 -0.084 0.000 0.994 217 D CA 1.358 55.316 54.000 -0.069 0.000 0.830 217 D CB -0.624 40.133 40.800 -0.073 0.000 0.959 217 D HN 0.643 nan 8.370 nan 0.000 0.452 218 E N -0.264 119.861 120.200 -0.124 0.000 2.077 218 E HA -0.191 4.158 4.350 -0.001 0.000 0.193 218 E C 1.267 177.682 176.600 -0.308 0.000 0.989 218 E CA 0.963 57.218 56.400 -0.240 0.000 0.800 218 E CB 0.097 29.589 29.700 -0.346 0.000 0.746 218 E HN 0.415 nan 8.360 nan 0.000 0.452 219 H N -0.227 118.804 119.070 -0.065 0.000 2.551 219 H HA 0.151 4.706 4.556 -0.001 0.000 0.271 219 H C 0.181 175.434 175.328 -0.123 0.000 0.984 219 H CA 0.418 56.419 56.048 -0.080 0.000 1.164 219 H CB 0.487 30.210 29.762 -0.066 0.000 1.437 219 H HN 0.276 nan 8.280 nan 0.000 0.550 220 Q N -0.444 119.332 119.800 -0.039 0.000 2.468 220 Q HA -0.149 4.191 4.340 -0.001 0.000 0.289 220 Q C -0.243 175.720 176.000 -0.061 0.000 1.299 220 Q CA 0.367 56.119 55.803 -0.085 0.000 0.838 220 Q CB -1.261 27.324 28.738 -0.255 0.000 1.195 220 Q HN 0.458 nan 8.270 nan 0.000 0.456 221 A N 0.357 123.167 122.820 -0.018 0.000 2.311 221 A HA 0.781 5.101 4.320 -0.001 0.000 0.334 221 A C -0.089 177.465 177.584 -0.049 0.000 1.139 221 A CA -0.637 51.388 52.037 -0.019 0.000 0.830 221 A CB 0.920 19.908 19.000 -0.021 0.000 1.234 221 A HN 0.291 nan 8.150 nan 0.000 0.483 222 L N 1.459 122.642 121.223 -0.066 0.000 2.292 222 L HA 0.324 4.664 4.340 -0.001 0.000 0.284 222 L C -0.524 176.274 176.870 -0.120 0.000 1.065 222 L CA -0.745 54.016 54.840 -0.131 0.000 0.806 222 L CB 1.220 43.173 42.059 -0.177 0.000 1.175 222 L HN 0.617 nan 8.230 nan 0.000 0.431 223 L N 5.074 126.192 121.223 -0.174 0.000 2.278 223 L HA 0.310 4.650 4.340 -0.001 0.000 0.287 223 L C -0.368 176.391 176.870 -0.185 0.000 1.072 223 L CA 0.150 54.888 54.840 -0.170 0.000 0.819 223 L CB 1.123 43.019 42.059 -0.273 0.000 1.176 223 L HN 0.249 nan 8.230 nan 0.000 0.435 224 V N 6.815 126.726 119.914 -0.004 0.000 2.347 224 V HA 0.344 4.464 4.120 -0.001 0.000 0.280 224 V C -0.026 176.268 176.094 0.333 0.000 1.021 224 V CA -0.404 61.948 62.300 0.086 0.000 0.847 224 V CB 0.842 32.745 31.823 0.134 0.000 0.990 224 V HN 0.504 nan 8.190 nan 0.000 0.444 225 F N 3.019 122.978 119.950 0.015 0.000 2.391 225 F HA 0.304 4.831 4.527 -0.000 0.000 0.359 225 F C 0.555 176.431 175.800 0.127 0.000 1.122 225 F CA -0.705 57.337 58.000 0.070 0.000 1.120 225 F CB 1.387 40.406 39.000 0.032 0.000 1.142 225 F HN 0.466 nan 8.300 nan 0.000 0.483 226 D N 5.075 125.670 120.400 0.325 0.000 2.422 226 D HA 0.038 4.678 4.640 -0.001 0.000 0.227 226 D C 0.163 176.609 176.300 0.244 0.000 1.190 226 D CA 0.185 54.356 54.000 0.286 0.000 0.905 226 D CB 0.552 41.598 40.800 0.410 0.000 1.034 226 D HN 0.569 nan 8.370 nan 0.000 0.507 227 E N 2.770 123.126 120.200 0.260 0.000 2.496 227 E HA 0.056 4.406 4.350 -0.001 0.000 0.202 227 E C 1.570 178.331 176.600 0.268 0.000 1.021 227 E CA -0.151 56.426 56.400 0.294 0.000 1.015 227 E CB 1.032 31.002 29.700 0.451 0.000 1.102 227 E HN 0.324 nan 8.360 nan 0.000 0.452 228 V N 0.908 120.945 119.914 0.205 0.000 2.332 228 V HA -0.310 3.809 4.120 -0.001 0.000 0.248 228 V C 2.394 178.571 176.094 0.138 0.000 1.055 228 V CA 2.084 64.485 62.300 0.169 0.000 1.038 228 V CB -0.238 31.668 31.823 0.138 0.000 0.651 228 V HN 0.348 nan 8.190 nan 0.000 0.450 229 Q N -0.868 119.005 119.800 0.121 0.000 2.226 229 Q HA -0.117 4.223 4.340 -0.001 0.000 0.199 229 Q C 2.214 178.245 176.000 0.051 0.000 0.945 229 Q CA 1.585 57.430 55.803 0.069 0.000 0.861 229 Q CB 0.094 28.861 28.738 0.048 0.000 0.953 229 Q HN 0.846 nan 8.270 nan 0.000 0.490 230 C N -0.863 118.487 119.300 0.084 0.000 2.697 230 C HA 0.498 4.957 4.460 -0.001 0.000 0.267 230 C C 1.257 176.307 174.990 0.099 0.000 1.278 230 C CA -0.462 58.597 59.018 0.069 0.000 1.708 230 C CB -1.187 26.603 27.740 0.084 0.000 1.860 230 C HN 0.359 nan 8.230 nan 0.000 0.589 231 G N -1.143 107.755 108.800 0.162 0.000 2.543 231 G HA2 0.493 4.453 3.960 -0.001 0.000 0.290 231 G HA3 0.493 4.453 3.960 -0.001 0.000 0.290 231 G C 0.333 175.145 174.900 -0.146 0.000 1.310 231 G CA -0.456 44.744 45.100 0.167 0.000 1.025 231 G HN 0.318 nan 8.290 nan 0.000 0.502 232 M N -0.405 118.847 119.600 -0.581 0.000 2.303 232 M HA -0.218 4.261 4.480 -0.001 0.000 0.189 232 M C 1.456 177.555 176.300 -0.334 0.000 0.688 232 M CA 1.202 56.207 55.300 -0.493 0.000 0.479 232 M CB -2.067 30.424 32.600 -0.183 0.000 1.094 232 M HN 2.191 nan 8.290 nan 0.000 0.907 233 G N -0.671 107.915 108.800 -0.358 0.000 2.241 233 G HA2 -0.397 3.563 3.960 -0.001 0.000 0.244 233 G HA3 -0.397 3.563 3.960 -0.001 0.000 0.244 233 G C 0.733 175.522 174.900 -0.186 0.000 0.998 233 G CA 0.885 45.838 45.100 -0.246 0.000 0.621 233 G HN 0.563 nan 8.290 nan 0.000 0.519 234 R N 1.431 121.833 120.500 -0.163 0.000 2.119 234 R HA -0.099 4.240 4.340 -0.001 0.000 0.246 234 R C 2.797 178.997 176.300 -0.166 0.000 1.146 234 R CA 3.180 59.195 56.100 -0.140 0.000 0.962 234 R CB -1.053 29.189 30.300 -0.096 0.000 0.863 234 R HN 0.803 nan 8.270 nan 0.000 0.442 235 T N -4.316 110.147 114.554 -0.153 0.000 3.100 235 T HA 0.257 4.606 4.350 -0.001 0.000 0.253 235 T C 1.345 175.889 174.700 -0.261 0.000 1.118 235 T CA 0.546 62.532 62.100 -0.189 0.000 1.058 235 T CB 0.294 69.085 68.868 -0.129 0.000 0.953 235 T HN 0.438 nan 8.240 nan 0.000 0.515 236 G N 0.563 109.236 108.800 -0.213 0.000 2.176 236 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.232 236 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.232 236 G C -0.380 174.570 174.900 0.085 0.000 0.986 236 G CA 0.039 45.059 45.100 -0.133 0.000 0.643 236 G HN 0.588 nan 8.290 nan 0.000 0.522 237 D N -0.688 119.713 120.400 0.001 0.000 2.350 237 D HA 0.494 5.133 4.640 -0.001 0.000 0.238 237 D C 1.255 177.485 176.300 -0.117 0.000 0.989 237 D CA -0.669 53.320 54.000 -0.018 0.000 0.921 237 D CB 1.938 42.752 40.800 0.022 0.000 1.297 237 D HN 0.002 nan 8.370 nan 0.000 0.490 238 L N 0.941 122.071 121.223 -0.155 0.000 2.013 238 L HA -0.035 4.305 4.340 -0.001 0.000 0.212 238 L C -0.102 176.422 176.870 -0.576 0.000 1.073 238 L CA 1.985 56.622 54.840 -0.338 0.000 0.753 238 L CB -0.135 41.789 42.059 -0.224 0.000 0.890 238 L HN 0.301 nan 8.230 nan 0.000 0.432 239 F N -2.926 117.014 119.950 -0.018 0.000 2.576 239 F HA 0.501 5.028 4.527 -0.001 0.000 0.313 239 F C 1.072 176.888 175.800 0.025 0.000 1.078 239 F CA -0.382 57.655 58.000 0.061 0.000 0.921 239 F CB 1.266 40.404 39.000 0.231 0.000 1.232 239 F HN -0.170 nan 8.300 nan 0.000 0.459 240 A N 1.996 125.023 122.820 0.345 0.000 1.986 240 A HA -0.253 4.067 4.320 -0.001 0.000 0.220 240 A C 1.900 179.763 177.584 0.465 0.000 1.171 240 A CA 2.239 54.467 52.037 0.319 0.000 0.640 240 A CB -1.355 17.833 19.000 0.313 0.000 0.811 240 A HN 0.916 nan 8.150 nan 0.000 0.451 241 Y N -1.196 119.406 120.300 0.504 0.000 2.315 241 Y HA -0.136 4.414 4.550 -0.001 0.000 0.288 241 Y C 1.961 178.104 175.900 0.406 0.000 1.154 241 Y CA 1.526 59.946 58.100 0.534 0.000 1.229 241 Y CB -0.729 38.048 38.460 0.528 0.000 0.980 241 Y HN 0.242 nan 8.280 nan 0.000 0.540 242 M N -0.085 119.342 119.600 -0.288 0.000 2.175 242 M HA -0.135 4.345 4.480 -0.001 0.000 0.264 242 M C 2.221 178.538 176.300 0.028 0.000 1.063 242 M CA 2.107 57.282 55.300 -0.208 0.000 1.119 242 M CB -0.591 31.850 32.600 -0.265 0.000 1.377 242 M HN 0.513 nan 8.290 nan 0.000 0.415 243 H N -0.228 118.836 119.070 -0.010 0.000 2.353 243 H HA -0.180 4.376 4.556 -0.001 0.000 0.300 243 H C 1.539 176.817 175.328 -0.084 0.000 1.090 243 H CA 2.120 58.120 56.048 -0.079 0.000 1.327 243 H CB -0.129 29.528 29.762 -0.175 0.000 1.383 243 H HN 0.387 nan 8.280 nan 0.000 0.508 244 Y N -0.637 119.708 120.300 0.075 0.000 2.395 244 Y HA 0.093 4.642 4.550 -0.001 0.000 0.293 244 Y C 2.208 178.131 175.900 0.038 0.000 1.123 244 Y CA 0.722 58.849 58.100 0.045 0.000 1.227 244 Y CB 0.125 38.695 38.460 0.184 0.000 1.012 244 Y HN 0.486 nan 8.280 nan 0.000 0.552 245 G N 0.352 109.291 108.800 0.231 0.000 2.160 245 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.251 245 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.251 245 G C -0.415 174.603 174.900 0.197 0.000 1.008 245 G CA 0.275 45.481 45.100 0.176 0.000 0.724 245 G HN 0.152 nan 8.290 nan 0.000 0.514 246 V N 1.289 121.375 119.914 0.287 0.000 2.347 246 V HA 0.531 4.650 4.120 -0.001 0.000 0.280 246 V C 0.562 176.688 176.094 0.053 0.000 1.021 246 V CA -0.193 62.206 62.300 0.164 0.000 0.847 246 V CB 1.607 33.545 31.823 0.193 0.000 0.990 246 V HN 0.285 nan 8.190 nan 0.000 0.444 247 T N 8.561 123.000 114.554 -0.192 0.000 2.728 247 T HA 0.364 4.714 4.350 -0.001 0.000 0.296 247 T C -2.173 171.979 174.700 -0.914 0.000 0.940 247 T CA -0.794 60.955 62.100 -0.584 0.000 1.013 247 T CB 1.338 69.955 68.868 -0.419 0.000 0.912 247 T HN 0.510 nan 8.240 nan 0.000 0.484 248 P HA 0.324 nan 4.420 nan 0.000 0.276 248 P C 0.182 176.849 177.300 -1.056 0.000 1.261 248 P CA -0.451 61.843 63.100 -1.343 0.000 0.800 248 P CB 1.251 31.992 31.700 -1.598 0.000 1.066 249 D N -0.334 119.689 120.400 -0.629 0.000 2.183 249 D HA 0.106 4.745 4.640 -0.001 0.000 0.205 249 D C 0.663 176.847 176.300 -0.193 0.000 0.962 249 D CA 1.340 55.113 54.000 -0.378 0.000 0.849 249 D CB 0.357 40.971 40.800 -0.309 0.000 0.978 249 D HN 0.338 nan 8.370 nan 0.000 0.488 250 I N 0.841 121.298 120.570 -0.189 0.000 2.582 250 I HA 0.335 4.505 4.170 -0.001 0.000 0.292 250 I C -0.936 175.192 176.117 0.018 0.000 1.066 250 I CA -0.767 60.520 61.300 -0.023 0.000 1.053 250 I CB 3.148 41.120 38.000 -0.046 0.000 1.241 250 I HN -0.203 nan 8.210 nan 0.000 0.421 251 L N 5.213 126.510 121.223 0.122 0.000 2.401 251 L HA 0.712 5.051 4.340 -0.001 0.000 0.266 251 L C -0.437 176.457 176.870 0.041 0.000 0.991 251 L CA -0.077 54.827 54.840 0.107 0.000 0.818 251 L CB 2.304 44.443 42.059 0.134 0.000 1.321 251 L HN 0.763 nan 8.230 nan 0.000 0.413 252 T N 0.377 114.980 114.554 0.082 0.000 2.855 252 T HA 0.677 5.027 4.350 -0.001 0.000 0.281 252 T C -0.478 174.309 174.700 0.144 0.000 1.007 252 T CA -0.664 61.476 62.100 0.067 0.000 1.009 252 T CB 1.697 70.583 68.868 0.029 0.000 0.983 252 T HN 0.548 nan 8.240 nan 0.000 0.455 253 S N 0.685 116.484 115.700 0.164 0.000 2.541 253 S HA 0.854 5.324 4.470 -0.001 0.000 0.280 253 S C -0.611 174.115 174.600 0.210 0.000 1.112 253 S CA 0.045 58.410 58.200 0.275 0.000 0.925 253 S CB 1.077 64.542 63.200 0.442 0.000 1.067 253 S HN 1.475 nan 8.310 nan 0.000 0.479 254 A N 3.524 126.460 122.820 0.192 0.000 4.642 254 A HA 0.775 5.095 4.320 -0.001 0.000 0.248 254 A C 0.263 177.919 177.584 0.120 0.000 0.987 254 A CA 0.112 52.238 52.037 0.149 0.000 0.622 254 A CB -0.423 18.647 19.000 0.117 0.000 1.769 254 A HN 0.896 nan 8.150 nan 0.000 0.864 255 K N -2.201 118.253 120.400 0.090 0.000 5.860 255 K HA -0.389 3.931 4.320 -0.001 0.000 0.293 255 K C 1.711 178.337 176.600 0.043 0.000 0.645 255 K CA 2.161 58.481 56.287 0.056 0.000 0.970 255 K CB -1.725 30.800 32.500 0.043 0.000 0.789 255 K HN 1.534 nan 8.250 nan 0.000 0.882 256 A N 0.928 123.763 122.820 0.025 0.000 2.032 256 A HA -0.176 4.143 4.320 -0.001 0.000 0.221 256 A C 2.025 179.620 177.584 0.018 0.000 1.165 256 A CA 2.112 54.147 52.037 -0.004 0.000 0.645 256 A CB -0.466 18.511 19.000 -0.038 0.000 0.807 256 A HN 0.410 nan 8.150 nan 0.000 0.453 257 L N -0.260 121.005 121.223 0.071 0.000 2.043 257 L HA -0.134 4.206 4.340 -0.001 0.000 0.212 257 L C 2.126 179.045 176.870 0.082 0.000 1.075 257 L CA 2.491 57.399 54.840 0.113 0.000 0.752 257 L CB -0.736 41.430 42.059 0.179 0.000 0.891 257 L HN 0.294 nan 8.230 nan 0.000 0.432 258 G N -2.713 106.134 108.800 0.079 0.000 3.126 258 G HA2 0.290 4.250 3.960 -0.001 0.000 0.224 258 G HA3 0.290 4.250 3.960 -0.001 0.000 0.224 258 G C 1.079 176.022 174.900 0.072 0.000 1.142 258 G CA 0.274 45.423 45.100 0.081 0.000 0.759 258 G HN 0.824 nan 8.290 nan 0.000 0.550 259 G N -0.433 108.386 108.800 0.032 0.000 2.258 259 G HA2 0.169 4.129 3.960 -0.001 0.000 0.274 259 G HA3 0.169 4.129 3.960 -0.001 0.000 0.274 259 G C 1.167 176.072 174.900 0.010 0.000 1.021 259 G CA 1.327 46.425 45.100 -0.003 0.000 0.798 259 G HN 1.801 nan 8.290 nan 0.000 0.507 260 G N -1.939 106.882 108.800 0.036 0.000 2.545 260 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.195 260 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.195 260 G C 0.318 175.248 174.900 0.049 0.000 1.009 260 G CA 0.159 45.276 45.100 0.028 0.000 0.703 260 G HN 1.274 nan 8.290 nan 0.000 0.479 261 F N 4.853 124.785 119.950 -0.030 0.000 2.438 261 F HA 0.547 5.074 4.527 -0.001 0.000 0.356 261 F C -1.512 174.274 175.800 -0.023 0.000 1.099 261 F CA -2.064 55.913 58.000 -0.037 0.000 1.185 261 F CB 1.238 40.204 39.000 -0.057 0.000 1.115 261 F HN -0.077 nan 8.300 nan 0.000 0.526 262 P HA 0.046 nan 4.420 nan 0.000 0.264 262 P C -0.965 176.497 177.300 0.270 0.000 1.236 262 P CA 0.441 63.597 63.100 0.093 0.000 0.811 262 P CB 1.045 32.716 31.700 -0.048 0.000 0.840 263 V N 2.937 122.976 119.914 0.208 0.000 3.077 263 V HA 0.644 4.763 4.120 -0.001 0.000 0.299 263 V C -0.942 175.250 176.094 0.163 0.000 1.276 263 V CA -0.276 62.131 62.300 0.178 0.000 0.993 263 V CB 2.588 34.484 31.823 0.122 0.000 1.076 263 V HN 0.719 nan 8.190 nan 0.000 0.434 264 S N 3.961 119.776 115.700 0.190 0.000 2.638 264 S HA 1.016 5.486 4.470 -0.001 0.000 0.274 264 S C -0.759 174.005 174.600 0.272 0.000 1.157 264 S CA -0.219 58.099 58.200 0.196 0.000 0.826 264 S CB 1.961 65.240 63.200 0.131 0.000 1.139 264 S HN 2.270 nan 8.310 nan 0.000 0.474 265 A N 1.327 124.263 122.820 0.195 0.000 2.520 265 A HA 0.784 5.104 4.320 -0.001 0.000 0.298 265 A C -1.121 176.455 177.584 -0.012 0.000 1.051 265 A CA -0.616 51.469 52.037 0.080 0.000 0.690 265 A CB 1.807 20.867 19.000 0.100 0.000 1.281 265 A HN 0.952 nan 8.150 nan 0.000 0.402 266 M N 2.606 122.145 119.600 -0.102 0.000 2.243 266 M HA 0.576 5.055 4.480 -0.001 0.000 0.324 266 M C -2.129 174.077 176.300 -0.158 0.000 1.031 266 M CA -0.822 54.425 55.300 -0.089 0.000 0.949 266 M CB 0.993 33.565 32.600 -0.046 0.000 1.615 266 M HN 0.620 nan 8.290 nan 0.000 0.430 267 L N 3.904 125.032 121.223 -0.158 0.000 2.322 267 L HA 0.726 5.066 4.340 -0.001 0.000 0.281 267 L C 0.037 176.783 176.870 -0.207 0.000 1.014 267 L CA 0.087 54.765 54.840 -0.270 0.000 0.815 267 L CB 2.021 43.831 42.059 -0.414 0.000 1.247 267 L HN 0.799 nan 8.230 nan 0.000 0.421 268 T N -0.069 114.340 114.554 -0.241 0.000 2.665 268 T HA 0.589 4.939 4.350 -0.001 0.000 0.303 268 T C -0.656 173.963 174.700 -0.134 0.000 1.334 268 T CA 0.011 62.049 62.100 -0.103 0.000 1.011 268 T CB 1.234 70.046 68.868 -0.095 0.000 1.573 268 T HN 0.694 nan 8.240 nan 0.000 0.492 269 T N 0.239 114.759 114.554 -0.057 0.000 2.881 269 T HA 0.359 4.708 4.350 -0.001 0.000 0.278 269 T C 1.081 175.743 174.700 -0.064 0.000 0.982 269 T CA -0.488 61.579 62.100 -0.054 0.000 0.989 269 T CB 1.229 70.083 68.868 -0.024 0.000 1.058 269 T HN 0.532 nan 8.240 nan 0.000 0.529 270 Q N 0.003 119.776 119.800 -0.045 0.000 2.124 270 Q HA -0.177 4.163 4.340 -0.001 0.000 0.202 270 Q C 1.938 177.929 176.000 -0.015 0.000 0.977 270 Q CA 1.604 57.389 55.803 -0.029 0.000 0.850 270 Q CB -0.325 28.402 28.738 -0.020 0.000 0.901 270 Q HN 0.861 nan 8.270 nan 0.000 0.429 271 E N 0.423 120.617 120.200 -0.009 0.000 2.085 271 E HA -0.149 4.201 4.350 -0.001 0.000 0.194 271 E C 2.132 178.773 176.600 0.069 0.000 0.994 271 E CA 1.065 57.482 56.400 0.028 0.000 0.801 271 E CB -0.199 29.518 29.700 0.028 0.000 0.743 271 E HN 0.468 nan 8.360 nan 0.000 0.453 272 I N 0.429 120.970 120.570 -0.047 0.000 2.333 272 I HA -0.172 3.998 4.170 -0.001 0.000 0.246 272 I C 2.544 178.613 176.117 -0.080 0.000 1.106 272 I CA 0.858 62.067 61.300 -0.152 0.000 1.411 272 I CB -0.314 37.453 38.000 -0.388 0.000 1.082 272 I HN 0.021 nan 8.210 nan 0.000 0.420 273 A N 0.845 123.615 122.820 -0.084 0.000 1.972 273 A HA -0.216 4.103 4.320 -0.001 0.000 0.219 273 A C 2.456 180.040 177.584 -0.001 0.000 1.169 273 A CA 2.002 53.999 52.037 -0.066 0.000 0.635 273 A CB -0.823 18.155 19.000 -0.036 0.000 0.810 273 A HN 0.529 nan 8.150 nan 0.000 0.446 274 S N 0.006 115.717 115.700 0.019 0.000 2.469 274 S HA 0.077 4.547 4.470 -0.001 0.000 0.238 274 S C 1.889 176.522 174.600 0.055 0.000 0.998 274 S CA 1.117 59.339 58.200 0.037 0.000 0.957 274 S CB -0.531 62.683 63.200 0.023 0.000 0.764 274 S HN 0.866 nan 8.310 nan 0.000 0.514 275 A N 0.953 123.808 122.820 0.058 0.000 1.972 275 A HA 0.214 4.534 4.320 -0.001 0.000 0.219 275 A C 0.851 178.573 177.584 0.231 0.000 1.169 275 A CA 0.542 52.620 52.037 0.068 0.000 0.635 275 A CB -0.623 18.419 19.000 0.071 0.000 0.810 275 A HN 0.477 nan 8.150 nan 0.000 0.446 284 T N -0.454 114.128 114.554 0.047 0.000 2.876 284 T HA 0.763 5.113 4.350 -0.001 0.000 0.289 284 T C -1.338 173.455 174.700 0.155 0.000 1.014 284 T CA -0.576 61.564 62.100 0.066 0.000 0.986 284 T CB 2.326 71.276 68.868 0.138 0.000 1.021 284 T HN 0.139 nan 8.240 nan 0.000 0.458 285 Y N 1.553 121.857 120.300 0.007 0.000 2.391 285 Y HA 0.585 5.134 4.550 -0.001 0.000 0.341 285 Y C 0.651 176.618 175.900 0.112 0.000 0.965 285 Y CA 0.806 58.931 58.100 0.041 0.000 1.067 285 Y CB 1.286 39.749 38.460 0.006 0.000 1.199 285 Y HN 1.474 nan 8.280 nan 0.000 0.450 286 G N 2.645 111.131 108.800 -0.523 0.000 2.598 286 G HA2 0.327 4.287 3.960 -0.001 0.000 0.244 286 G HA3 0.327 4.287 3.960 -0.001 0.000 0.244 286 G C 0.034 174.955 174.900 0.035 0.000 1.302 286 G CA -0.078 44.836 45.100 -0.310 0.000 0.903 286 G HN 2.244 nan 8.290 nan 0.000 0.575 287 G N -1.204 107.631 108.800 0.059 0.000 3.383 287 G HA2 0.261 4.221 3.960 -0.001 0.000 0.685 287 G HA3 0.261 4.221 3.960 -0.001 0.000 0.685 287 G C -0.203 174.624 174.900 -0.121 0.000 1.104 287 G CA 0.792 45.864 45.100 -0.046 0.000 0.957 287 G HN 1.950 nan 8.290 nan 0.000 0.461 288 N N 3.805 122.459 118.700 -0.076 0.000 2.411 288 N HA 0.126 4.866 4.740 -0.001 0.000 0.265 288 N C -0.506 174.918 175.510 -0.142 0.000 1.266 288 N CA -0.709 52.314 53.050 -0.045 0.000 0.889 288 N CB 1.135 39.671 38.487 0.081 0.000 1.069 288 N HN 0.155 nan 8.380 nan 0.000 0.476 289 P HA -0.188 nan 4.420 nan 0.000 0.216 289 P C 1.585 178.766 177.300 -0.200 0.000 1.154 289 P CA 0.841 63.858 63.100 -0.140 0.000 0.865 289 P CB 0.227 31.886 31.700 -0.068 0.000 0.789 290 L N -0.633 120.470 121.223 -0.200 0.000 2.027 290 L HA -0.040 4.300 4.340 -0.001 0.000 0.206 290 L C 2.282 178.727 176.870 -0.709 0.000 1.074 290 L CA 2.009 56.627 54.840 -0.370 0.000 0.745 290 L CB -1.579 40.274 42.059 -0.344 0.000 0.898 290 L HN -0.125 nan 8.230 nan 0.000 0.433 291 A N -1.255 121.112 122.820 -0.754 0.000 1.883 291 A HA -0.269 4.051 4.320 -0.001 0.000 0.217 291 A C 2.367 179.590 177.584 -0.602 0.000 1.186 291 A CA 2.074 53.538 52.037 -0.955 0.000 0.624 291 A CB -1.511 17.300 19.000 -0.315 0.000 0.822 291 A HN 0.627 nan 8.150 nan 0.000 0.444 292 C N -1.235 117.786 119.300 -0.466 0.000 2.450 292 C HA 0.195 4.655 4.460 -0.001 0.000 0.279 292 C C 3.283 178.074 174.990 -0.332 0.000 1.335 292 C CA 0.411 59.162 59.018 -0.446 0.000 1.749 292 C CB -1.286 26.140 27.740 -0.524 0.000 1.963 292 C HN 0.704 nan 8.230 nan 0.000 0.501 293 A N 0.467 123.102 122.820 -0.308 0.000 1.902 293 A HA -0.090 4.230 4.320 -0.001 0.000 0.217 293 A C 2.275 179.730 177.584 -0.215 0.000 1.181 293 A CA 2.056 53.957 52.037 -0.227 0.000 0.623 293 A CB -0.685 18.194 19.000 -0.202 0.000 0.818 293 A HN 0.353 nan 8.150 nan 0.000 0.443 294 V N -0.195 119.535 119.914 -0.306 0.000 2.307 294 V HA -0.219 3.901 4.120 -0.001 0.000 0.245 294 V C 3.049 179.049 176.094 -0.156 0.000 1.045 294 V CA 1.905 64.060 62.300 -0.242 0.000 1.024 294 V CB -1.179 30.430 31.823 -0.357 0.000 0.651 294 V HN 0.604 nan 8.190 nan 0.000 0.449 295 A N 0.442 123.154 122.820 -0.181 0.000 1.972 295 A HA -0.067 4.252 4.320 -0.001 0.000 0.219 295 A C 2.390 179.965 177.584 -0.016 0.000 1.169 295 A CA 1.821 53.812 52.037 -0.077 0.000 0.635 295 A CB -1.120 17.824 19.000 -0.094 0.000 0.810 295 A HN 0.531 nan 8.150 nan 0.000 0.446 296 G N -0.362 108.392 108.800 -0.076 0.000 2.421 296 G HA2 -0.016 3.944 3.960 -0.001 0.000 0.216 296 G HA3 -0.016 3.944 3.960 -0.001 0.000 0.216 296 G C 1.753 176.672 174.900 0.032 0.000 1.171 296 G CA 1.421 46.501 45.100 -0.034 0.000 0.775 296 G HN 0.785 nan 8.290 nan 0.000 0.543 297 A N 1.067 123.878 122.820 -0.015 0.000 1.933 297 A HA 0.281 4.600 4.320 -0.001 0.000 0.218 297 A C 2.797 180.371 177.584 -0.016 0.000 1.175 297 A CA 2.246 54.277 52.037 -0.010 0.000 0.628 297 A CB -0.712 18.269 19.000 -0.031 0.000 0.814 297 A HN 0.764 nan 8.150 nan 0.000 0.444 298 A N -1.298 121.511 122.820 -0.019 0.000 1.898 298 A HA -0.013 4.307 4.320 -0.001 0.000 0.216 298 A C 2.058 179.640 177.584 -0.004 0.000 1.181 298 A CA 1.450 53.459 52.037 -0.046 0.000 0.620 298 A CB -0.727 18.253 19.000 -0.034 0.000 0.819 298 A HN 0.617 nan 8.150 nan 0.000 0.442 299 F N 1.262 121.175 119.950 -0.062 0.000 2.095 299 F HA -0.232 4.294 4.527 -0.001 0.000 0.298 299 F C 1.771 177.546 175.800 -0.041 0.000 1.104 299 F CA 2.183 60.159 58.000 -0.040 0.000 1.232 299 F CB -0.094 38.903 39.000 -0.005 0.000 0.987 299 F HN 0.240 nan 8.300 nan 0.000 0.475 300 D N 0.441 120.964 120.400 0.205 0.000 2.182 300 D HA -0.176 4.464 4.640 -0.001 0.000 0.201 300 D C 2.313 178.606 176.300 -0.012 0.000 0.986 300 D CA 1.624 55.693 54.000 0.115 0.000 0.847 300 D CB -0.267 40.590 40.800 0.095 0.000 0.942 300 D HN 0.375 nan 8.370 nan 0.000 0.467 301 I N 0.084 120.618 120.570 -0.060 0.000 2.339 301 I HA -0.111 4.058 4.170 -0.001 0.000 0.245 301 I C 2.325 178.362 176.117 -0.133 0.000 1.096 301 I CA 0.434 61.678 61.300 -0.093 0.000 1.408 301 I CB 0.025 37.938 38.000 -0.145 0.000 1.092 301 I HN -0.100 nan 8.210 nan 0.000 0.423 302 I N 0.744 121.199 120.570 -0.191 0.000 2.179 302 I HA -0.265 3.904 4.170 -0.001 0.000 0.242 302 I C 1.174 177.123 176.117 -0.280 0.000 1.088 302 I CA 1.161 62.321 61.300 -0.232 0.000 1.357 302 I CB -0.386 37.454 38.000 -0.267 0.000 1.051 302 I HN 0.210 nan 8.210 nan 0.000 0.409 303 N N 1.594 120.049 118.700 -0.408 0.000 3.243 303 N HA 0.002 4.741 4.740 -0.001 0.000 0.310 303 N C -0.569 174.832 175.510 -0.182 0.000 1.313 303 N CA 0.086 52.901 53.050 -0.392 0.000 1.204 303 N CB -0.268 37.787 38.487 -0.720 0.000 1.483 303 N HN 0.265 nan 8.380 nan 0.000 0.553 304 T N -2.401 112.077 114.554 -0.127 0.000 2.893 304 T HA 0.418 4.768 4.350 -0.001 0.000 0.293 304 T C -2.044 172.625 174.700 -0.052 0.000 1.027 304 T CA -1.932 60.129 62.100 -0.065 0.000 0.988 304 T CB 2.153 70.995 68.868 -0.044 0.000 1.043 304 T HN -0.183 nan 8.240 nan 0.000 0.461 305 P HA -0.112 nan 4.420 nan 0.000 0.216 305 P C 1.124 178.414 177.300 -0.017 0.000 1.153 305 P CA 1.189 64.275 63.100 -0.023 0.000 0.858 305 P CB 0.159 31.850 31.700 -0.015 0.000 0.789 306 E N -0.870 119.321 120.200 -0.014 0.000 2.047 306 E HA -0.106 4.244 4.350 -0.001 0.000 0.191 306 E C 2.055 178.651 176.600 -0.007 0.000 0.987 306 E CA 0.889 57.285 56.400 -0.007 0.000 0.799 306 E CB -1.277 28.422 29.700 -0.003 0.000 0.752 306 E HN 0.018 nan 8.360 nan 0.000 0.449 307 V N 0.769 120.671 119.914 -0.021 0.000 2.358 307 V HA -0.212 3.908 4.120 -0.001 0.000 0.246 307 V C 2.181 178.259 176.094 -0.026 0.000 1.047 307 V CA 1.406 63.689 62.300 -0.028 0.000 1.035 307 V CB -0.441 31.351 31.823 -0.053 0.000 0.658 307 V HN 0.231 nan 8.190 nan 0.000 0.452 308 L N -0.658 120.548 121.223 -0.028 0.000 2.083 308 L HA -0.239 4.100 4.340 -0.001 0.000 0.209 308 L C 2.643 179.569 176.870 0.093 0.000 1.083 308 L CA 1.600 56.442 54.840 0.003 0.000 0.752 308 L CB -0.633 41.418 42.059 -0.014 0.000 0.899 308 L HN 0.351 nan 8.230 nan 0.000 0.433 309 Q N -0.120 119.713 119.800 0.055 0.000 2.061 309 Q HA -0.168 4.171 4.340 -0.001 0.000 0.204 309 Q C 2.353 178.403 176.000 0.083 0.000 0.984 309 Q CA 1.604 57.445 55.803 0.063 0.000 0.846 309 Q CB -0.505 28.240 28.738 0.012 0.000 0.902 309 Q HN 0.602 nan 8.270 nan 0.000 0.421 310 G N 0.781 109.605 108.800 0.041 0.000 2.450 310 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.220 310 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.220 310 G C 1.364 176.274 174.900 0.018 0.000 1.130 310 G CA 0.735 45.850 45.100 0.026 0.000 0.760 310 G HN 0.250 nan 8.290 nan 0.000 0.557 311 I N -0.040 120.529 120.570 -0.002 0.000 2.226 311 I HA -0.189 3.981 4.170 -0.001 0.000 0.245 311 I C 2.562 178.600 176.117 -0.133 0.000 1.100 311 I CA 1.056 62.304 61.300 -0.086 0.000 1.374 311 I CB -0.259 37.648 38.000 -0.155 0.000 1.057 311 I HN 0.218 nan 8.210 nan 0.000 0.413 312 H N -0.076 118.968 119.070 -0.045 0.000 2.395 312 H HA -0.076 4.480 4.556 -0.001 0.000 0.299 312 H C 2.366 177.677 175.328 -0.028 0.000 1.070 312 H CA 1.834 57.857 56.048 -0.042 0.000 1.356 312 H CB -0.235 29.503 29.762 -0.040 0.000 1.401 312 H HN 0.339 nan 8.280 nan 0.000 0.524 313 T N 1.241 115.851 114.554 0.093 0.000 2.708 313 T HA -0.110 4.240 4.350 -0.001 0.000 0.266 313 T C 2.007 176.718 174.700 0.018 0.000 1.037 313 T CA 1.209 63.334 62.100 0.043 0.000 1.146 313 T CB 0.000 68.885 68.868 0.028 0.000 0.865 313 T HN 0.326 nan 8.240 nan 0.000 0.435 314 K N 0.709 121.118 120.400 0.014 0.000 2.097 314 K HA -0.020 4.299 4.320 -0.001 0.000 0.205 314 K C 2.525 179.192 176.600 0.111 0.000 1.050 314 K CA 0.846 57.150 56.287 0.028 0.000 0.938 314 K CB -0.134 32.398 32.500 0.054 0.000 0.718 314 K HN 0.196 nan 8.250 nan 0.000 0.442 315 R N 1.226 121.751 120.500 0.041 0.000 2.096 315 R HA -0.252 4.088 4.340 -0.001 0.000 0.240 315 R C 2.263 178.582 176.300 0.032 0.000 1.139 315 R CA 1.879 57.982 56.100 0.005 0.000 0.952 315 R CB -0.109 30.126 30.300 -0.108 0.000 0.854 315 R HN 0.049 nan 8.270 nan 0.000 0.436 316 Q N 0.494 120.303 119.800 0.014 0.000 2.167 316 Q HA -0.135 4.204 4.340 -0.001 0.000 0.202 316 Q C 1.969 177.969 176.000 0.000 0.000 0.970 316 Q CA 1.730 57.537 55.803 0.005 0.000 0.855 316 Q CB 0.074 28.817 28.738 0.008 0.000 0.911 316 Q HN 0.503 nan 8.270 nan 0.000 0.438 317 Q N -1.328 118.463 119.800 -0.016 0.000 2.084 317 Q HA -0.149 4.191 4.340 -0.001 0.000 0.202 317 Q C 1.726 177.687 176.000 -0.066 0.000 0.978 317 Q CA 1.478 57.243 55.803 -0.063 0.000 0.844 317 Q CB -0.181 28.448 28.738 -0.182 0.000 0.898 317 Q HN 0.368 nan 8.270 nan 0.000 0.426 318 F N -0.078 119.784 119.950 -0.146 0.000 2.102 318 F HA -0.229 4.298 4.527 -0.001 0.000 0.298 318 F C 2.323 178.005 175.800 -0.198 0.000 1.105 318 F CA 0.982 58.824 58.000 -0.263 0.000 1.239 318 F CB -0.588 38.127 39.000 -0.476 0.000 0.991 318 F HN -0.127 nan 8.300 nan 0.000 0.474 319 V N -0.268 119.658 119.914 0.021 0.000 2.332 319 V HA -0.339 3.781 4.120 -0.001 0.000 0.248 319 V C 2.224 178.316 176.094 -0.003 0.000 1.055 319 V CA 2.002 64.282 62.300 -0.034 0.000 1.038 319 V CB -0.813 30.984 31.823 -0.043 0.000 0.651 319 V HN 0.376 nan 8.190 nan 0.000 0.450 320 Q N -1.181 118.614 119.800 -0.008 0.000 2.096 320 Q HA -0.221 4.119 4.340 -0.001 0.000 0.204 320 Q C 2.317 178.290 176.000 -0.046 0.000 0.982 320 Q CA 1.729 57.507 55.803 -0.042 0.000 0.850 320 Q CB -0.241 28.444 28.738 -0.088 0.000 0.901 320 Q HN 0.711 nan 8.270 nan 0.000 0.422 321 H N 0.153 119.232 119.070 0.015 0.000 2.357 321 H HA -0.072 4.484 4.556 -0.001 0.000 0.301 321 H C 2.188 177.591 175.328 0.125 0.000 1.082 321 H CA 1.179 57.265 56.048 0.063 0.000 1.342 321 H CB 0.003 29.788 29.762 0.038 0.000 1.389 321 H HN 0.233 nan 8.280 nan 0.000 0.511 322 L N 0.558 121.903 121.223 0.203 0.000 2.083 322 L HA -0.204 4.135 4.340 -0.001 0.000 0.209 322 L C 2.676 179.715 176.870 0.281 0.000 1.083 322 L CA 1.109 56.090 54.840 0.236 0.000 0.752 322 L CB -0.337 41.701 42.059 -0.034 0.000 0.899 322 L HN 0.241 nan 8.230 nan 0.000 0.433 323 Q N -0.366 119.525 119.800 0.152 0.000 2.084 323 Q HA -0.178 4.161 4.340 -0.001 0.000 0.202 323 Q C 2.456 178.529 176.000 0.123 0.000 0.978 323 Q CA 1.590 57.470 55.803 0.129 0.000 0.844 323 Q CB -0.266 28.506 28.738 0.058 0.000 0.898 323 Q HN 0.563 nan 8.270 nan 0.000 0.426 324 A N 0.710 123.592 122.820 0.102 0.000 1.930 324 A HA -0.158 4.161 4.320 -0.001 0.000 0.217 324 A C 2.015 179.671 177.584 0.119 0.000 1.175 324 A CA 1.044 53.126 52.037 0.075 0.000 0.627 324 A CB -0.556 18.468 19.000 0.040 0.000 0.815 324 A HN 0.303 nan 8.150 nan 0.000 0.443 325 I N -0.394 120.314 120.570 0.231 0.000 2.226 325 I HA -0.240 3.929 4.170 -0.001 0.000 0.245 325 I C 2.253 178.503 176.117 0.222 0.000 1.100 325 I CA 1.876 63.361 61.300 0.308 0.000 1.374 325 I CB -0.331 37.911 38.000 0.403 0.000 1.057 325 I HN 0.357 nan 8.210 nan 0.000 0.413 326 D N 0.477 121.000 120.400 0.206 0.000 2.178 326 D HA -0.216 4.423 4.640 -0.001 0.000 0.201 326 D C 2.183 178.522 176.300 0.064 0.000 0.980 326 D CA 1.201 55.275 54.000 0.122 0.000 0.842 326 D CB 0.136 41.080 40.800 0.239 0.000 0.948 326 D HN 0.123 nan 8.370 nan 0.000 0.472 327 E N -0.448 119.780 120.200 0.047 0.000 2.077 327 E HA -0.198 4.152 4.350 -0.001 0.000 0.193 327 E C 1.987 178.534 176.600 -0.090 0.000 0.989 327 E CA 1.588 57.982 56.400 -0.009 0.000 0.800 327 E CB -0.372 29.322 29.700 -0.010 0.000 0.746 327 E HN 0.593 nan 8.360 nan 0.000 0.452 328 Q N -2.192 117.497 119.800 -0.186 0.000 2.163 328 Q HA 0.038 4.378 4.340 -0.001 0.000 0.198 328 Q C 1.584 177.229 176.000 -0.592 0.000 0.954 328 Q CA 1.527 57.040 55.803 -0.484 0.000 0.851 328 Q CB 0.051 28.316 28.738 -0.788 0.000 0.928 328 Q HN 0.598 nan 8.270 nan 0.000 0.459 329 F N -0.516 119.412 119.950 -0.036 0.000 2.724 329 F HA 0.191 4.717 4.527 -0.001 0.000 0.306 329 F C -0.083 175.689 175.800 -0.047 0.000 1.100 329 F CA -0.236 57.729 58.000 -0.058 0.000 1.255 329 F CB 0.834 39.758 39.000 -0.125 0.000 1.072 329 F HN -0.041 nan 8.300 nan 0.000 0.589 330 D N 1.823 122.275 120.400 0.087 0.000 2.828 330 D HA -0.202 4.437 4.640 -0.001 0.000 0.241 330 D C 0.441 176.790 176.300 0.083 0.000 1.142 330 D CA 0.891 54.941 54.000 0.082 0.000 0.755 330 D CB -1.018 39.844 40.800 0.104 0.000 1.014 330 D HN 0.598 nan 8.370 nan 0.000 0.420 331 I N -3.579 116.923 120.570 -0.113 0.000 4.456 331 I HA 0.346 4.516 4.170 -0.001 0.000 0.329 331 I C 0.188 176.137 176.117 -0.279 0.000 1.313 331 I CA -0.479 60.639 61.300 -0.303 0.000 1.205 331 I CB 0.156 37.678 38.000 -0.796 0.000 1.179 331 I HN -0.056 nan 8.210 nan 0.000 0.419 332 F N 1.994 121.982 119.950 0.063 0.000 2.436 332 F HA 0.403 4.930 4.527 -0.000 0.000 0.340 332 F C 1.503 177.343 175.800 0.068 0.000 1.113 332 F CA -0.744 57.289 58.000 0.056 0.000 1.022 332 F CB 2.030 41.061 39.000 0.052 0.000 1.128 332 F HN -0.012 nan 8.300 nan 0.000 0.466 333 S N -0.486 115.378 115.700 0.274 0.000 2.492 333 S HA 0.132 4.601 4.470 -0.001 0.000 0.218 333 S C -0.241 174.435 174.600 0.127 0.000 1.016 333 S CA 0.092 58.393 58.200 0.167 0.000 0.916 333 S CB 0.207 63.488 63.200 0.134 0.000 0.791 333 S HN 0.646 nan 8.310 nan 0.000 0.513 334 D N -0.273 120.198 120.400 0.117 0.000 2.886 334 D HA 0.489 5.129 4.640 -0.001 0.000 0.216 334 D C -1.766 174.522 176.300 -0.019 0.000 1.256 334 D CA -0.370 53.660 54.000 0.050 0.000 0.844 334 D CB 1.576 42.401 40.800 0.041 0.000 1.669 334 D HN 0.223 nan 8.370 nan 0.000 0.513 335 I N 4.178 124.722 120.570 -0.043 0.000 2.382 335 I HA 0.530 4.700 4.170 -0.001 0.000 0.286 335 I C 0.424 176.496 176.117 -0.074 0.000 1.002 335 I CA -0.581 60.653 61.300 -0.109 0.000 1.135 335 I CB 1.150 39.075 38.000 -0.124 0.000 1.288 335 I HN 0.328 nan 8.210 nan 0.000 0.448 336 R N 4.389 124.840 120.500 -0.082 0.000 3.080 336 R HA 0.966 5.306 4.340 -0.001 0.000 0.248 336 R C -0.071 176.183 176.300 -0.077 0.000 1.324 336 R CA -0.748 55.317 56.100 -0.058 0.000 1.036 336 R CB 1.194 31.477 30.300 -0.027 0.000 1.360 336 R HN 0.673 nan 8.270 nan 0.000 0.479 337 G N -0.261 108.502 108.800 -0.062 0.000 2.549 337 G HA2 -0.003 3.957 3.960 -0.001 0.000 0.404 337 G HA3 -0.003 3.957 3.960 -0.001 0.000 0.404 337 G C -1.011 173.824 174.900 -0.109 0.000 1.292 337 G CA -0.279 44.773 45.100 -0.081 0.000 0.935 337 G HN 0.544 nan 8.290 nan 0.000 0.512 338 M N 0.414 119.929 119.600 -0.142 0.000 2.501 338 M HA 0.555 5.034 4.480 -0.001 0.000 0.293 338 M C 1.020 177.178 176.300 -0.238 0.000 1.192 338 M CA 0.425 55.604 55.300 -0.202 0.000 0.886 338 M CB 1.922 34.374 32.600 -0.246 0.000 1.710 338 M HN 2.639 nan 8.290 nan 0.000 0.457 339 G N 1.771 110.377 108.800 -0.322 0.000 2.634 339 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.309 339 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.309 339 G C 0.051 174.775 174.900 -0.294 0.000 1.265 339 G CA 0.194 45.055 45.100 -0.399 0.000 0.998 339 G HN 0.684 nan 8.290 nan 0.000 0.551 340 L N 0.602 121.665 121.223 -0.268 0.000 2.851 340 L HA 0.464 4.803 4.340 -0.001 0.000 0.237 340 L C 0.623 177.339 176.870 -0.257 0.000 1.257 340 L CA -0.135 54.536 54.840 -0.282 0.000 1.061 340 L CB 0.110 42.020 42.059 -0.248 0.000 1.372 340 L HN 0.327 nan 8.230 nan 0.000 0.493 341 L N 1.797 122.891 121.223 -0.215 0.000 2.313 341 L HA 0.504 4.843 4.340 -0.001 0.000 0.273 341 L C -0.684 176.086 176.870 -0.168 0.000 1.028 341 L CA -0.332 54.405 54.840 -0.171 0.000 0.871 341 L CB 0.895 42.877 42.059 -0.128 0.000 1.242 341 L HN 0.148 nan 8.230 nan 0.000 0.434 342 I N 3.557 124.028 120.570 -0.164 0.000 2.404 342 I HA 0.496 4.666 4.170 -0.001 0.000 0.293 342 I C 0.575 176.668 176.117 -0.040 0.000 0.992 342 I CA -0.500 60.719 61.300 -0.135 0.000 1.149 342 I CB 1.886 39.742 38.000 -0.240 0.000 1.315 342 I HN 0.505 nan 8.210 nan 0.000 0.446 343 G N 4.089 112.846 108.800 -0.072 0.000 2.461 343 G HA2 0.736 4.695 3.960 -0.001 0.000 0.323 343 G HA3 0.736 4.695 3.960 -0.001 0.000 0.323 343 G C -1.162 173.670 174.900 -0.113 0.000 1.229 343 G CA -0.616 44.442 45.100 -0.070 0.000 0.941 343 G HN 0.761 nan 8.290 nan 0.000 0.477 344 A N 2.268 125.001 122.820 -0.145 0.000 2.409 344 A HA 0.645 4.965 4.320 -0.001 0.000 0.300 344 A C -0.170 177.333 177.584 -0.136 0.000 1.273 344 A CA -0.604 51.219 52.037 -0.357 0.000 0.774 344 A CB 0.897 19.360 19.000 -0.894 0.000 1.144 344 A HN 0.685 nan 8.150 nan 0.000 0.472 345 E N 2.955 123.149 120.200 -0.009 0.000 2.316 345 E HA 0.411 4.761 4.350 -0.001 0.000 0.275 345 E C -0.748 176.019 176.600 0.279 0.000 1.029 345 E CA -0.348 56.122 56.400 0.116 0.000 0.871 345 E CB 0.535 30.286 29.700 0.084 0.000 1.022 345 E HN 0.662 nan 8.360 nan 0.000 0.418 346 L N 4.451 125.833 121.223 0.264 0.000 2.397 346 L HA 0.198 4.537 4.340 -0.001 0.000 0.271 346 L C 0.845 177.854 176.870 0.232 0.000 1.148 346 L CA -0.555 54.447 54.840 0.270 0.000 0.825 346 L CB 0.569 42.770 42.059 0.235 0.000 1.117 346 L HN 0.454 nan 8.230 nan 0.000 0.456 347 K N 3.227 123.772 120.400 0.242 0.000 2.440 347 K HA 0.037 4.356 4.320 -0.001 0.000 0.270 347 K C -1.414 175.287 176.600 0.168 0.000 0.980 347 K CA -1.198 55.210 56.287 0.202 0.000 0.953 347 K CB 0.380 33.012 32.500 0.220 0.000 0.925 347 K HN 0.326 nan 8.250 nan 0.000 0.497 348 P HA -0.228 nan 4.420 nan 0.000 0.217 348 P C 0.761 178.065 177.300 0.007 0.000 1.148 348 P CA 1.742 64.876 63.100 0.057 0.000 0.828 348 P CB 0.063 31.785 31.700 0.035 0.000 0.783 349 K N -1.144 119.217 120.400 -0.064 0.000 2.362 349 K HA -0.118 4.202 4.320 -0.001 0.000 0.200 349 K C 0.721 177.051 176.600 -0.449 0.000 1.046 349 K CA 1.189 57.314 56.287 -0.270 0.000 0.952 349 K CB -0.685 31.585 32.500 -0.383 0.000 0.753 349 K HN 0.216 nan 8.250 nan 0.000 0.466 350 Y N 1.488 121.846 120.300 0.096 0.000 2.720 350 Y HA 0.252 4.802 4.550 -0.000 0.000 0.268 350 Y C -0.199 175.788 175.900 0.145 0.000 1.142 350 Y CA -1.045 57.143 58.100 0.146 0.000 1.193 350 Y CB 0.641 39.236 38.460 0.225 0.000 1.176 350 Y HN -0.080 nan 8.280 nan 0.000 0.542 351 K N 0.907 121.412 120.400 0.176 0.000 2.484 351 K HA 0.218 4.538 4.320 -0.001 0.000 0.280 351 K C 1.193 177.876 176.600 0.139 0.000 1.013 351 K CA 1.249 57.620 56.287 0.141 0.000 1.029 351 K CB 0.087 32.636 32.500 0.083 0.000 0.902 351 K HN 0.607 nan 8.250 nan 0.000 0.481 352 G N 3.849 112.734 108.800 0.142 0.000 2.143 352 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.248 352 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.248 352 G C 0.477 175.471 174.900 0.155 0.000 0.991 352 G CA 0.090 45.265 45.100 0.125 0.000 0.689 352 G HN 0.680 nan 8.290 nan 0.000 0.522 353 R N -0.328 120.312 120.500 0.233 0.000 2.397 353 R HA 0.503 4.843 4.340 -0.001 0.000 0.241 353 R C 2.459 178.980 176.300 0.368 0.000 0.914 353 R CA 0.900 57.161 56.100 0.268 0.000 1.071 353 R CB -0.330 30.182 30.300 0.354 0.000 1.116 353 R HN 0.570 nan 8.270 nan 0.000 0.524 354 A N 2.376 125.390 122.820 0.324 0.000 1.917 354 A HA -0.258 4.061 4.320 -0.001 0.000 0.219 354 A C 2.248 179.998 177.584 0.276 0.000 1.182 354 A CA 1.791 54.016 52.037 0.312 0.000 0.633 354 A CB -0.377 18.730 19.000 0.178 0.000 0.819 354 A HN 0.405 nan 8.150 nan 0.000 0.448 355 R N -0.593 120.038 120.500 0.220 0.000 2.096 355 R HA -0.145 4.194 4.340 -0.001 0.000 0.235 355 R C 1.143 177.639 176.300 0.327 0.000 1.127 355 R CA 1.734 57.982 56.100 0.247 0.000 0.968 355 R CB -0.765 29.683 30.300 0.248 0.000 0.861 355 R HN 0.351 nan 8.270 nan 0.000 0.440 356 D N 0.450 120.976 120.400 0.210 0.000 2.144 356 D HA -0.117 4.523 4.640 -0.001 0.000 0.200 356 D C 1.794 178.118 176.300 0.041 0.000 0.978 356 D CA 1.122 55.173 54.000 0.086 0.000 0.833 356 D CB -0.270 40.480 40.800 -0.083 0.000 0.961 356 D HN 0.215 nan 8.370 nan 0.000 0.470 357 F N 0.910 120.935 119.950 0.125 0.000 2.186 357 F HA -0.033 4.493 4.527 -0.000 0.000 0.299 357 F C 2.400 178.315 175.800 0.192 0.000 1.090 357 F CA 0.359 58.431 58.000 0.120 0.000 1.307 357 F CB -0.483 38.609 39.000 0.153 0.000 1.019 357 F HN -0.083 nan 8.300 nan 0.000 0.489 358 L N -1.342 120.072 121.223 0.319 0.000 2.017 358 L HA -0.272 4.068 4.340 -0.001 0.000 0.208 358 L C 2.251 179.165 176.870 0.073 0.000 1.073 358 L CA 1.654 56.575 54.840 0.134 0.000 0.745 358 L CB -0.499 41.538 42.059 -0.037 0.000 0.894 358 L HN 0.081 nan 8.230 nan 0.000 0.432 359 Y N -0.457 119.916 120.300 0.121 0.000 2.242 359 Y HA -0.213 4.337 4.550 -0.000 0.000 0.291 359 Y C 2.575 178.531 175.900 0.094 0.000 1.137 359 Y CA 1.234 59.397 58.100 0.105 0.000 1.181 359 Y CB -0.529 37.972 38.460 0.069 0.000 0.989 359 Y HN 0.317 nan 8.280 nan 0.000 0.527 360 A N 0.086 123.029 122.820 0.205 0.000 1.933 360 A HA -0.137 4.183 4.320 -0.001 0.000 0.218 360 A C 2.536 180.201 177.584 0.136 0.000 1.175 360 A CA 1.761 53.861 52.037 0.106 0.000 0.628 360 A CB -1.494 17.502 19.000 -0.006 0.000 0.814 360 A HN 0.480 nan 8.150 nan 0.000 0.444 361 G N -0.427 108.505 108.800 0.219 0.000 2.421 361 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.216 361 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.216 361 G C 1.776 176.801 174.900 0.209 0.000 1.171 361 G CA 1.524 46.790 45.100 0.277 0.000 0.775 361 G HN 0.815 nan 8.290 nan 0.000 0.543 362 A N 0.445 123.387 122.820 0.204 0.000 1.908 362 A HA -0.061 4.258 4.320 -0.001 0.000 0.218 362 A C 2.215 179.920 177.584 0.202 0.000 1.181 362 A CA 2.007 54.199 52.037 0.258 0.000 0.627 362 A CB -0.411 18.776 19.000 0.311 0.000 0.818 362 A HN 0.310 nan 8.150 nan 0.000 0.445 363 E N -0.207 120.077 120.200 0.140 0.000 2.085 363 E HA -0.176 4.174 4.350 -0.001 0.000 0.194 363 E C 2.065 178.670 176.600 0.009 0.000 0.994 363 E CA 1.353 57.790 56.400 0.062 0.000 0.801 363 E CB -0.334 29.401 29.700 0.058 0.000 0.743 363 E HN 0.548 nan 8.360 nan 0.000 0.453 364 A N -0.489 122.352 122.820 0.036 0.000 2.238 364 A HA 0.247 4.567 4.320 -0.001 0.000 0.208 364 A C 1.409 178.976 177.584 -0.029 0.000 1.177 364 A CA 1.050 53.091 52.037 0.006 0.000 0.804 364 A CB -0.132 18.891 19.000 0.039 0.000 0.823 364 A HN 0.281 nan 8.150 nan 0.000 0.482 365 G N -1.577 107.201 108.800 -0.038 0.000 2.171 365 G HA2 -0.037 3.923 3.960 -0.001 0.000 0.238 365 G HA3 -0.037 3.923 3.960 -0.001 0.000 0.238 365 G C -0.072 174.831 174.900 0.005 0.000 1.039 365 G CA 0.255 45.265 45.100 -0.150 0.000 0.759 365 G HN 1.445 nan 8.290 nan 0.000 0.501 366 V N 0.699 120.683 119.914 0.118 0.000 2.577 366 V HA 0.790 4.909 4.120 -0.001 0.000 0.303 366 V C 0.117 176.264 176.094 0.088 0.000 1.042 366 V CA -1.063 61.256 62.300 0.031 0.000 0.872 366 V CB 1.613 33.439 31.823 0.006 0.000 0.998 366 V HN 0.330 nan 8.190 nan 0.000 0.423 367 M N 7.660 127.259 119.600 -0.003 0.000 2.113 367 M HA 0.612 5.092 4.480 -0.001 0.000 0.352 367 M C -0.313 175.964 176.300 -0.037 0.000 1.170 367 M CA -0.482 54.810 55.300 -0.014 0.000 1.053 367 M CB 1.362 33.931 32.600 -0.051 0.000 1.601 367 M HN 0.641 nan 8.290 nan 0.000 0.459 368 V N 1.820 121.680 119.914 -0.089 0.000 3.145 368 V HA 0.768 4.887 4.120 -0.001 0.000 0.311 368 V C -0.867 175.063 176.094 -0.273 0.000 1.238 368 V CA -0.995 61.162 62.300 -0.238 0.000 1.066 368 V CB 1.971 33.532 31.823 -0.438 0.000 1.144 368 V HN 0.832 nan 8.190 nan 0.000 0.465 369 L N 0.048 121.037 121.223 -0.391 0.000 2.283 369 L HA 0.623 4.963 4.340 -0.001 0.000 0.259 369 L C -0.291 176.419 176.870 -0.267 0.000 1.027 369 L CA -0.560 54.105 54.840 -0.292 0.000 0.828 369 L CB 2.245 44.146 42.059 -0.264 0.000 1.380 369 L HN 0.804 nan 8.230 nan 0.000 0.425 370 N N -0.677 117.917 118.700 -0.178 0.000 2.432 370 N HA 0.728 5.468 4.740 -0.001 0.000 0.292 370 N C -0.932 174.505 175.510 -0.121 0.000 1.193 370 N CA -0.620 52.360 53.050 -0.116 0.000 0.878 370 N CB 2.034 40.494 38.487 -0.045 0.000 1.252 370 N HN 0.618 nan 8.380 nan 0.000 0.520 371 A N 1.030 123.800 122.820 -0.084 0.000 3.317 371 A HA 0.673 4.992 4.320 -0.001 0.000 0.307 371 A C 0.218 177.779 177.584 -0.038 0.000 1.003 371 A CA -0.119 51.870 52.037 -0.081 0.000 0.882 371 A CB -0.405 18.540 19.000 -0.091 0.000 1.136 371 A HN 0.935 nan 8.150 nan 0.000 0.488 372 G N -0.387 108.403 108.800 -0.018 0.000 2.712 372 G HA2 0.310 4.269 3.960 -0.001 0.000 0.683 372 G HA3 0.310 4.269 3.960 -0.001 0.000 0.683 372 G C 0.843 175.767 174.900 0.040 0.000 1.320 372 G CA -0.201 44.910 45.100 0.018 0.000 0.847 372 G HN 1.748 nan 8.290 nan 0.000 0.553 373 A N -0.960 121.895 122.820 0.058 0.000 2.121 373 A HA 0.204 4.523 4.320 -0.001 0.000 0.218 373 A C 1.687 179.335 177.584 0.107 0.000 1.154 373 A CA 2.378 54.465 52.037 0.083 0.000 0.679 373 A CB -0.138 18.908 19.000 0.077 0.000 0.795 373 A HN 0.624 nan 8.150 nan 0.000 0.458 374 D N -1.269 119.186 120.400 0.093 0.000 2.398 374 D HA 0.234 4.874 4.640 -0.001 0.000 0.210 374 D C -0.300 176.067 176.300 0.113 0.000 1.094 374 D CA 0.357 54.426 54.000 0.116 0.000 0.839 374 D CB 0.815 41.674 40.800 0.098 0.000 0.963 374 D HN 0.139 nan 8.370 nan 0.000 0.506 375 V N 2.219 122.178 119.914 0.075 0.000 2.531 375 V HA 0.304 4.424 4.120 -0.001 0.000 0.301 375 V C -0.043 176.054 176.094 0.005 0.000 1.034 375 V CA -0.817 61.508 62.300 0.041 0.000 0.865 375 V CB 2.182 34.006 31.823 0.002 0.000 0.995 375 V HN -0.067 nan 8.190 nan 0.000 0.424 376 M N 4.423 124.021 119.600 -0.004 0.000 2.235 376 M HA 0.525 5.005 4.480 -0.001 0.000 0.351 376 M C -0.177 175.972 176.300 -0.252 0.000 1.178 376 M CA 0.056 55.280 55.300 -0.127 0.000 1.143 376 M CB 0.672 33.248 32.600 -0.039 0.000 1.530 376 M HN 0.702 nan 8.290 nan 0.000 0.461 377 R N 1.903 122.131 120.500 -0.454 0.000 2.686 377 R HA 0.712 5.051 4.340 -0.001 0.000 0.286 377 R C -1.973 173.914 176.300 -0.689 0.000 0.969 377 R CA -0.380 55.486 56.100 -0.390 0.000 0.898 377 R CB 1.473 31.626 30.300 -0.245 0.000 1.183 377 R HN 0.525 nan 8.270 nan 0.000 0.456 378 F N 2.183 121.962 119.950 -0.286 0.000 2.518 378 F HA 0.610 5.136 4.527 -0.001 0.000 0.323 378 F C 0.032 175.619 175.800 -0.355 0.000 1.129 378 F CA -0.712 57.074 58.000 -0.357 0.000 0.920 378 F CB 2.664 41.318 39.000 -0.577 0.000 1.160 378 F HN 0.638 nan 8.300 nan 0.000 0.440 379 A N 4.337 127.076 122.820 -0.136 0.000 3.370 379 A HA 0.505 4.825 4.320 -0.001 0.000 0.295 379 A C -2.922 174.597 177.584 -0.109 0.000 1.030 379 A CA -1.306 50.640 52.037 -0.151 0.000 0.883 379 A CB -0.143 18.781 19.000 -0.126 0.000 1.191 379 A HN 0.317 nan 8.150 nan 0.000 0.507 380 P HA 0.173 nan 4.420 nan 0.000 0.276 380 P C 0.530 177.817 177.300 -0.021 0.000 1.261 380 P CA -0.010 63.092 63.100 0.003 0.000 0.800 380 P CB 0.852 32.578 31.700 0.043 0.000 1.066 381 S N -0.091 115.626 115.700 0.029 0.000 2.573 381 S HA -0.034 4.436 4.470 -0.001 0.000 0.297 381 S C 1.541 176.140 174.600 -0.001 0.000 1.280 381 S CA -0.269 57.933 58.200 0.004 0.000 1.061 381 S CB -0.731 62.492 63.200 0.038 0.000 0.812 381 S HN 0.295 nan 8.310 nan 0.000 0.500 382 L N 4.263 125.464 121.223 -0.036 0.000 2.456 382 L HA -0.005 4.335 4.340 -0.001 0.000 0.224 382 L C 1.513 178.375 176.870 -0.014 0.000 1.148 382 L CA 0.544 55.355 54.840 -0.048 0.000 0.825 382 L CB -0.507 41.502 42.059 -0.083 0.000 0.937 382 L HN 0.772 nan 8.230 nan 0.000 0.450 383 V N -4.253 115.671 119.914 0.017 0.000 3.085 383 V HA 0.256 4.375 4.120 -0.001 0.000 0.345 383 V C 0.703 176.835 176.094 0.063 0.000 1.397 383 V CA -0.632 61.693 62.300 0.042 0.000 1.165 383 V CB 0.136 31.999 31.823 0.067 0.000 1.153 383 V HN -0.004 nan 8.190 nan 0.000 0.495 384 V N 2.655 122.615 119.914 0.078 0.000 2.584 384 V HA 0.097 4.216 4.120 -0.001 0.000 0.303 384 V C 0.804 176.935 176.094 0.061 0.000 1.035 384 V CA 0.561 62.925 62.300 0.107 0.000 1.172 384 V CB 0.428 32.369 31.823 0.196 0.000 0.896 384 V HN 0.687 nan 8.190 nan 0.000 0.486 385 E N 4.838 125.069 120.200 0.053 0.000 2.398 385 E HA 0.008 4.358 4.350 -0.001 0.000 0.263 385 E C 0.938 177.515 176.600 -0.037 0.000 1.046 385 E CA 0.210 56.621 56.400 0.019 0.000 0.908 385 E CB 0.834 30.553 29.700 0.032 0.000 0.963 385 E HN 0.859 nan 8.360 nan 0.000 0.431 386 E N 2.325 122.485 120.200 -0.066 0.000 2.097 386 E HA -0.269 4.080 4.350 -0.001 0.000 0.196 386 E C 1.656 178.152 176.600 -0.172 0.000 1.000 386 E CA 1.385 57.681 56.400 -0.173 0.000 0.804 386 E CB 0.092 29.752 29.700 -0.067 0.000 0.740 386 E HN 0.583 nan 8.360 nan 0.000 0.454 387 A N 1.280 124.100 122.820 -0.000 0.000 1.908 387 A HA -0.229 4.091 4.320 -0.001 0.000 0.218 387 A C 1.786 179.390 177.584 0.033 0.000 1.181 387 A CA 1.967 54.044 52.037 0.067 0.000 0.627 387 A CB -0.458 18.581 19.000 0.065 0.000 0.818 387 A HN 0.266 nan 8.150 nan 0.000 0.445 388 D N -0.096 120.312 120.400 0.014 0.000 2.149 388 D HA -0.066 4.574 4.640 -0.001 0.000 0.201 388 D C 1.885 178.242 176.300 0.095 0.000 0.972 388 D CA 0.939 54.969 54.000 0.050 0.000 0.835 388 D CB -0.329 40.525 40.800 0.089 0.000 0.966 388 D HN 0.545 nan 8.370 nan 0.000 0.476 389 I N 0.936 121.449 120.570 -0.095 0.000 2.142 389 I HA -0.280 3.890 4.170 -0.001 0.000 0.240 389 I C 2.391 178.281 176.117 -0.378 0.000 1.078 389 I CA 1.117 62.157 61.300 -0.434 0.000 1.343 389 I CB -0.345 37.095 38.000 -0.933 0.000 1.046 389 I HN 0.102 nan 8.210 nan 0.000 0.405 390 H N 0.241 119.207 119.070 -0.173 0.000 2.321 390 H HA -0.185 4.370 4.556 -0.001 0.000 0.300 390 H C 2.116 177.375 175.328 -0.116 0.000 1.087 390 H CA 1.833 57.787 56.048 -0.157 0.000 1.319 390 H CB -0.414 29.367 29.762 0.032 0.000 1.379 390 H HN 0.325 nan 8.280 nan 0.000 0.501 391 E N 0.712 120.963 120.200 0.085 0.000 2.051 391 E HA -0.089 4.261 4.350 -0.001 0.000 0.192 391 E C 2.597 179.215 176.600 0.030 0.000 0.991 391 E CA 1.428 57.858 56.400 0.050 0.000 0.799 391 E CB -0.734 28.983 29.700 0.027 0.000 0.748 391 E HN 0.430 nan 8.360 nan 0.000 0.449 392 G N 0.188 109.010 108.800 0.036 0.000 2.422 392 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.218 392 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.218 392 G C 1.476 176.528 174.900 0.254 0.000 1.146 392 G CA 1.169 46.241 45.100 -0.047 0.000 0.769 392 G HN 0.203 nan 8.290 nan 0.000 0.547 393 M N 0.369 120.125 119.600 0.260 0.000 2.319 393 M HA -0.002 4.478 4.480 -0.001 0.000 0.265 393 M C 2.722 179.123 176.300 0.170 0.000 1.068 393 M CA 0.613 56.016 55.300 0.173 0.000 1.118 393 M CB -0.991 31.377 32.600 -0.386 0.000 1.395 393 M HN 0.271 nan 8.290 nan 0.000 0.435 394 Q N -0.224 119.627 119.800 0.085 0.000 2.119 394 Q HA -0.074 4.266 4.340 -0.001 0.000 0.201 394 Q C 2.262 178.344 176.000 0.137 0.000 0.972 394 Q CA 1.267 57.149 55.803 0.132 0.000 0.847 394 Q CB -0.474 28.325 28.738 0.101 0.000 0.903 394 Q HN 0.617 nan 8.270 nan 0.000 0.433 395 R N -0.886 119.692 120.500 0.129 0.000 2.092 395 R HA -0.029 4.311 4.340 -0.001 0.000 0.231 395 R C 2.110 178.523 176.300 0.189 0.000 1.119 395 R CA 1.525 57.694 56.100 0.114 0.000 0.970 395 R CB -0.389 29.948 30.300 0.063 0.000 0.864 395 R HN 0.383 nan 8.270 nan 0.000 0.440 396 F N 1.544 121.577 119.950 0.139 0.000 2.146 396 F HA -0.063 4.464 4.527 -0.000 0.000 0.298 396 F C 2.241 178.138 175.800 0.161 0.000 1.096 396 F CA 1.044 59.162 58.000 0.197 0.000 1.275 396 F CB -0.382 38.821 39.000 0.339 0.000 1.008 396 F HN -0.032 nan 8.300 nan 0.000 0.480 397 A N -0.005 122.890 122.820 0.125 0.000 1.908 397 A HA -0.284 4.036 4.320 -0.001 0.000 0.218 397 A C 2.269 179.817 177.584 -0.060 0.000 1.181 397 A CA 1.855 53.925 52.037 0.054 0.000 0.627 397 A CB -1.095 18.052 19.000 0.245 0.000 0.818 397 A HN 0.605 nan 8.150 nan 0.000 0.445 398 Q N -0.465 119.335 119.800 0.001 0.000 2.061 398 Q HA -0.162 4.178 4.340 -0.001 0.000 0.204 398 Q C 2.200 178.127 176.000 -0.123 0.000 0.984 398 Q CA 1.849 57.636 55.803 -0.027 0.000 0.846 398 Q CB -0.391 28.357 28.738 0.016 0.000 0.902 398 Q HN 0.585 nan 8.270 nan 0.000 0.421 399 A N 0.080 122.825 122.820 -0.124 0.000 1.908 399 A HA -0.153 4.166 4.320 -0.001 0.000 0.218 399 A C 2.238 179.668 177.584 -0.257 0.000 1.181 399 A CA 1.638 53.592 52.037 -0.138 0.000 0.627 399 A CB -0.826 18.152 19.000 -0.036 0.000 0.818 399 A HN 0.329 nan 8.150 nan 0.000 0.445 400 V N -0.081 119.571 119.914 -0.437 0.000 2.295 400 V HA -0.203 3.916 4.120 -0.001 0.000 0.246 400 V C 2.832 178.515 176.094 -0.686 0.000 1.049 400 V CA 2.013 64.021 62.300 -0.486 0.000 1.024 400 V CB -1.473 29.902 31.823 -0.746 0.000 0.648 400 V HN 0.624 nan 8.190 nan 0.000 0.447 401 G N -0.083 108.216 108.800 -0.835 0.000 2.442 401 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.219 401 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.219 401 G C 1.617 176.365 174.900 -0.253 0.000 1.141 401 G CA 0.647 45.391 45.100 -0.594 0.000 0.763 401 G HN 0.413 nan 8.290 nan 0.000 0.554 402 K N 0.241 120.512 120.400 -0.216 0.000 2.155 402 K HA 0.049 4.369 4.320 -0.001 0.000 0.203 402 K C 2.546 179.042 176.600 -0.173 0.000 1.052 402 K CA 0.610 56.811 56.287 -0.144 0.000 0.948 402 K CB -0.526 31.907 32.500 -0.113 0.000 0.728 402 K HN 0.325 nan 8.250 nan 0.000 0.448 403 V N 1.574 121.325 119.914 -0.270 0.000 2.407 403 V HA -0.141 3.978 4.120 -0.001 0.000 0.245 403 V C 2.415 178.378 176.094 -0.218 0.000 1.041 403 V CA 1.475 63.565 62.300 -0.351 0.000 1.040 403 V CB -0.364 30.985 31.823 -0.791 0.000 0.671 403 V HN 0.131 nan 8.190 nan 0.000 0.455 404 V N -1.269 118.538 119.914 -0.180 0.000 3.052 404 V HA 0.338 4.458 4.120 -0.001 0.000 0.254 404 V C 1.461 177.592 176.094 0.063 0.000 1.100 404 V CA 0.347 62.644 62.300 -0.004 0.000 1.112 404 V CB -0.996 30.822 31.823 -0.008 0.000 0.738 404 V HN 0.318 nan 8.190 nan 0.000 0.469 405 A N 0.000 122.828 122.820 0.013 0.000 2.254 405 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 405 A CA 0.000 52.062 52.037 0.041 0.000 0.836 405 A CB 0.000 19.010 19.000 0.017 0.000 0.831 405 A HN 0.000 nan 8.150 nan 0.000 0.486