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 1ej6_1_D DATA FIRST_RESID 2 DATA SEQUENCE ARAAFLFKTV GFGGLQNVPI NDELSSHLLR AGNSPWQLTQ FLDWISLGRG DATA SEQUENCE LATSALVPTA GSRYYQMSCL LSGTLQIPFR PNHRWGDIRF LRLVWSAPTL DATA SEQUENCE DGLVVAPPQV LAQPALQAQA DRVYDCDDYP FLARDPRFKH RVYQQLSAVT DATA SEQUENCE LLNLTGFGPI SYVRVDEDMW SGDVNQLLMN YFGHTFAEIA YTLCQASANR DATA SEQUENCE PWEHDGTYAR MTQIILSLFW LSYVGVIHQQ NTYRTFYFQC NRRGDAAEVW DATA SEQUENCE ILSCSLNHSA QIRPGNRSLF VMPTSPDWNM DVNLILSSTL TGCLCSGSQL DATA SEQUENCE PLIDNNSVPA VSRNIHGWTG RAGNQLHGFQ VRRMVTEFCD RLRRDGVMTQ DATA SEQUENCE AQQNQIEALA DQTQQFKRDK LEAWAREDDQ YNQANPNSTM FRTKPFTNAQ DATA SEQUENCE WGRGNTGATS AAIAALI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.479 177.584 -0.176 0.000 1.274 2 A CA 0.000 51.819 52.037 -0.363 0.000 0.836 2 A CB 0.000 18.713 19.000 -0.478 0.000 0.831 3 R N 1.454 121.899 120.500 -0.092 0.000 2.570 3 R HA 0.420 4.760 4.340 0.000 0.000 0.277 3 R C 0.883 176.964 176.300 -0.365 0.000 1.039 3 R CA 1.041 57.008 56.100 -0.222 0.000 1.065 3 R CB 0.698 30.899 30.300 -0.164 0.000 0.964 3 R HN 1.114 nan 8.270 nan 0.000 0.428 4 A N 3.302 125.795 122.820 -0.545 0.000 2.427 4 A HA 0.341 4.661 4.320 0.000 0.000 0.225 4 A C -0.110 176.982 177.584 -0.819 0.000 1.257 4 A CA 0.390 52.084 52.037 -0.572 0.000 0.985 4 A CB 0.675 19.498 19.000 -0.294 0.000 1.136 4 A HN 0.665 nan 8.150 nan 0.000 0.538 5 A N 0.172 122.464 122.820 -0.880 0.000 2.273 5 A HA 0.708 5.028 4.320 0.000 0.000 0.315 5 A C -1.084 176.073 177.584 -0.711 0.000 1.256 5 A CA -0.359 51.271 52.037 -0.679 0.000 0.851 5 A CB -0.112 18.528 19.000 -0.601 0.000 1.172 5 A HN 0.290 nan 8.150 nan 0.000 0.508 6 F N 3.647 123.514 119.950 -0.138 0.000 2.291 6 F HA 0.497 5.024 4.527 0.000 0.000 0.368 6 F C -0.195 175.753 175.800 0.247 0.000 1.085 6 F CA -0.305 57.564 58.000 -0.219 0.000 1.165 6 F CB 0.630 39.301 39.000 -0.548 0.000 1.429 6 F HN 0.326 nan 8.300 nan 0.000 0.503 7 L N 3.398 124.997 121.223 0.626 0.000 2.323 7 L HA 0.744 5.084 4.340 0.000 0.000 0.265 7 L C -0.585 176.659 176.870 0.622 0.000 1.012 7 L CA -1.156 53.987 54.840 0.505 0.000 0.820 7 L CB 2.001 44.237 42.059 0.296 0.000 1.334 7 L HN 0.414 nan 8.230 nan 0.000 0.427 8 F N -1.301 118.729 119.950 0.134 0.000 2.664 8 F HA 0.716 5.243 4.527 0.000 0.000 0.317 8 F C -1.036 174.652 175.800 -0.186 0.000 1.108 8 F CA -1.046 56.892 58.000 -0.103 0.000 0.957 8 F CB 1.759 40.701 39.000 -0.096 0.000 1.365 8 F HN 0.253 nan 8.300 nan 0.000 0.475 9 K N 1.916 122.220 120.400 -0.159 0.000 2.463 9 K HA 0.354 4.674 4.320 0.000 0.000 0.255 9 K C -0.601 175.930 176.600 -0.116 0.000 0.942 9 K CA -0.341 55.797 56.287 -0.249 0.000 0.814 9 K CB 1.899 34.226 32.500 -0.288 0.000 1.122 9 K HN 1.052 nan 8.250 nan 0.000 0.425 10 T N 0.117 114.600 114.554 -0.118 0.000 2.766 10 T HA 0.127 4.477 4.350 0.000 0.000 0.295 10 T C 0.397 175.014 174.700 -0.138 0.000 1.024 10 T CA -0.650 61.413 62.100 -0.062 0.000 1.018 10 T CB 1.164 70.009 68.868 -0.037 0.000 1.002 10 T HN 0.309 nan 8.240 nan 0.000 0.532 11 V N 0.822 120.657 119.914 -0.132 0.000 3.083 11 V HA 0.682 4.802 4.120 0.000 0.000 0.306 11 V C 0.796 176.761 176.094 -0.214 0.000 1.077 11 V CA 0.222 62.441 62.300 -0.134 0.000 1.073 11 V CB 0.755 32.513 31.823 -0.108 0.000 1.081 11 V HN 1.276 nan 8.190 nan 0.000 0.474 12 G N 3.012 111.699 108.800 -0.188 0.000 2.441 12 G HA2 0.582 4.542 3.960 0.000 0.000 0.334 12 G HA3 0.582 4.542 3.960 0.000 0.000 0.334 12 G C -1.025 173.782 174.900 -0.156 0.000 1.161 12 G CA -0.714 44.187 45.100 -0.331 0.000 0.935 12 G HN 0.546 nan 8.290 nan 0.000 0.488 13 F N 0.191 120.185 119.950 0.074 0.000 2.471 13 F HA 0.382 4.909 4.527 0.000 0.000 0.353 13 F C 1.466 177.350 175.800 0.141 0.000 1.113 13 F CA -0.842 57.236 58.000 0.130 0.000 1.262 13 F CB 0.966 40.028 39.000 0.104 0.000 1.146 13 F HN 0.436 nan 8.300 nan 0.000 0.578 14 G N 0.857 109.919 108.800 0.437 0.000 3.452 14 G HA2 0.390 4.350 3.960 0.000 0.000 0.258 14 G HA3 0.390 4.350 3.960 0.000 0.000 0.258 14 G C 0.998 176.071 174.900 0.289 0.000 1.305 14 G CA 0.002 45.264 45.100 0.269 0.000 1.514 14 G HN 1.312 nan 8.290 nan 0.000 0.593 15 G N -0.694 108.260 108.800 0.257 0.000 2.132 15 G HA2 -0.234 3.726 3.960 0.000 0.000 0.228 15 G HA3 -0.234 3.726 3.960 0.000 0.000 0.228 15 G C 0.262 175.264 174.900 0.170 0.000 1.000 15 G CA 0.102 45.312 45.100 0.184 0.000 0.693 15 G HN 0.530 nan 8.290 nan 0.000 0.515 16 L N -0.731 120.618 121.223 0.210 0.000 2.365 16 L HA 0.479 4.819 4.340 0.000 0.000 0.267 16 L C 1.365 178.164 176.870 -0.118 0.000 1.033 16 L CA -1.094 53.774 54.840 0.047 0.000 0.802 16 L CB 1.006 43.086 42.059 0.035 0.000 1.267 16 L HN -0.063 nan 8.230 nan 0.000 0.457 17 Q N 0.689 120.360 119.800 -0.215 0.000 2.403 17 Q HA 0.105 4.445 4.340 0.000 0.000 0.203 17 Q C -0.911 174.746 176.000 -0.573 0.000 0.932 17 Q CA 0.158 55.785 55.803 -0.293 0.000 0.945 17 Q CB 0.004 28.646 28.738 -0.160 0.000 1.045 17 Q HN 0.698 nan 8.270 nan 0.000 0.511 18 N N -3.027 115.194 118.700 -0.798 0.000 2.927 18 N HA 0.208 4.948 4.740 0.000 0.000 0.248 18 N C -0.897 174.216 175.510 -0.662 0.000 1.443 18 N CA -0.801 51.759 53.050 -0.818 0.000 0.870 18 N CB 0.745 39.067 38.487 -0.275 0.000 1.444 18 N HN -0.301 nan 8.380 nan 0.000 0.519 19 V N 0.696 120.594 119.914 -0.027 0.000 2.557 19 V HA 0.150 4.270 4.120 0.000 0.000 0.301 19 V C -1.742 174.490 176.094 0.230 0.000 1.026 19 V CA -0.452 62.109 62.300 0.435 0.000 1.137 19 V CB 0.098 32.183 31.823 0.436 0.000 0.917 19 V HN 0.688 nan 8.190 nan 0.000 0.484 20 P HA 0.187 nan 4.420 nan 0.000 0.233 20 P C -0.340 177.036 177.300 0.127 0.000 1.576 20 P CA 0.858 64.101 63.100 0.238 0.000 0.962 20 P CB -0.249 31.788 31.700 0.562 0.000 1.859 21 I N 0.895 121.497 120.570 0.053 0.000 2.785 21 I HA 0.350 4.520 4.170 0.000 0.000 0.293 21 I C -1.557 174.519 176.117 -0.068 0.000 1.446 21 I CA -0.860 60.433 61.300 -0.011 0.000 1.028 21 I CB 2.112 40.103 38.000 -0.014 0.000 1.349 21 I HN -0.033 nan 8.210 nan 0.000 0.438 22 N N 3.999 122.638 118.700 -0.102 0.000 2.701 22 N HA 0.418 5.158 4.740 0.000 0.000 0.290 22 N C 0.003 175.422 175.510 -0.153 0.000 1.338 22 N CA -0.681 52.290 53.050 -0.131 0.000 0.799 22 N CB 0.614 39.061 38.487 -0.066 0.000 1.491 22 N HN 0.420 nan 8.380 nan 0.000 0.540 23 D N -0.158 120.150 120.400 -0.154 0.000 2.106 23 D HA -0.241 4.399 4.640 0.000 0.000 0.191 23 D C 1.141 177.382 176.300 -0.097 0.000 0.997 23 D CA 1.562 55.477 54.000 -0.141 0.000 0.834 23 D CB -0.048 40.680 40.800 -0.120 0.000 0.956 23 D HN 0.814 nan 8.370 nan 0.000 0.448 24 E N 0.427 120.584 120.200 -0.072 0.000 2.114 24 E HA -0.198 4.152 4.350 0.000 0.000 0.199 24 E C 2.420 178.985 176.600 -0.057 0.000 1.008 24 E CA 0.819 57.186 56.400 -0.054 0.000 0.810 24 E CB -0.102 29.566 29.700 -0.053 0.000 0.739 24 E HN 0.256 nan 8.360 nan 0.000 0.456 25 L N 0.122 121.290 121.223 -0.092 0.000 2.109 25 L HA -0.111 4.229 4.340 0.000 0.000 0.207 25 L C 2.630 179.467 176.870 -0.055 0.000 1.086 25 L CA 0.968 55.751 54.840 -0.096 0.000 0.760 25 L CB -0.202 41.783 42.059 -0.124 0.000 0.910 25 L HN 0.121 nan 8.230 nan 0.000 0.437 26 S N -0.469 115.180 115.700 -0.084 0.000 2.355 26 S HA -0.155 4.315 4.470 0.000 0.000 0.222 26 S C 2.159 176.717 174.600 -0.069 0.000 1.031 26 S CA 1.487 59.630 58.200 -0.095 0.000 0.993 26 S CB -0.230 62.885 63.200 -0.143 0.000 0.859 26 S HN 0.329 nan 8.310 nan 0.000 0.453 27 S N 0.777 116.441 115.700 -0.059 0.000 2.387 27 S HA -0.198 4.272 4.470 0.000 0.000 0.230 27 S C 1.776 176.362 174.600 -0.024 0.000 1.035 27 S CA 1.209 59.381 58.200 -0.047 0.000 1.014 27 S CB -0.569 62.608 63.200 -0.037 0.000 0.836 27 S HN 0.571 nan 8.310 nan 0.000 0.466 28 H N 1.145 120.163 119.070 -0.087 0.000 2.423 28 H HA 0.084 4.640 4.556 0.000 0.000 0.297 28 H C 1.903 177.175 175.328 -0.094 0.000 1.075 28 H CA 1.096 57.096 56.048 -0.081 0.000 1.342 28 H CB -0.148 29.558 29.762 -0.094 0.000 1.395 28 H HN 0.341 nan 8.280 nan 0.000 0.530 29 L N 0.283 121.509 121.223 0.004 0.000 2.044 29 L HA -0.115 4.225 4.340 0.000 0.000 0.205 29 L C 2.371 179.188 176.870 -0.088 0.000 1.075 29 L CA 0.653 55.461 54.840 -0.054 0.000 0.747 29 L CB -0.250 41.767 42.059 -0.070 0.000 0.903 29 L HN 0.189 nan 8.230 nan 0.000 0.435 30 L N -0.402 120.768 121.223 -0.088 0.000 2.610 30 L HA -0.020 4.320 4.340 0.000 0.000 0.232 30 L C 2.479 179.302 176.870 -0.078 0.000 1.149 30 L CA 0.016 54.806 54.840 -0.083 0.000 0.872 30 L CB -0.585 41.419 42.059 -0.092 0.000 0.992 30 L HN 0.278 nan 8.230 nan 0.000 0.447 31 R N 1.599 122.035 120.500 -0.107 0.000 2.136 31 R HA -0.275 4.065 4.340 0.000 0.000 0.242 31 R C 1.943 178.202 176.300 -0.069 0.000 1.131 31 R CA 2.406 58.439 56.100 -0.112 0.000 0.937 31 R CB -0.145 30.031 30.300 -0.207 0.000 0.863 31 R HN 0.389 nan 8.270 nan 0.000 0.435 32 A N -0.606 122.180 122.820 -0.056 0.000 2.140 32 A HA 0.303 4.623 4.320 0.000 0.000 0.209 32 A C 0.758 178.337 177.584 -0.009 0.000 1.181 32 A CA 0.553 52.577 52.037 -0.022 0.000 0.824 32 A CB 0.494 19.491 19.000 -0.005 0.000 0.879 32 A HN 0.505 nan 8.150 nan 0.000 0.480 33 G N -0.578 108.215 108.800 -0.013 0.000 2.473 33 G HA2 0.408 4.368 3.960 0.000 0.000 0.321 33 G HA3 0.408 4.368 3.960 0.000 0.000 0.321 33 G C 0.047 174.938 174.900 -0.016 0.000 1.200 33 G CA 0.081 45.181 45.100 0.001 0.000 0.963 33 G HN 0.151 nan 8.290 nan 0.000 0.483 34 N N -0.569 118.128 118.700 -0.005 0.000 2.171 34 N HA 0.022 4.762 4.740 0.000 0.000 0.212 34 N C 0.188 175.680 175.510 -0.029 0.000 1.184 34 N CA -0.098 52.938 53.050 -0.024 0.000 0.888 34 N CB 0.953 39.434 38.487 -0.011 0.000 1.038 34 N HN 0.356 nan 8.380 nan 0.000 0.517 35 S N 1.285 116.986 115.700 0.002 0.000 2.585 35 S HA 0.424 4.894 4.470 0.000 0.000 0.277 35 S C -1.627 172.911 174.600 -0.103 0.000 1.241 35 S CA -1.433 56.778 58.200 0.019 0.000 1.041 35 S CB 1.622 64.918 63.200 0.160 0.000 0.987 35 S HN 0.095 nan 8.310 nan 0.000 0.512 36 P HA 0.112 nan 4.420 nan 0.000 0.240 36 P C -0.389 176.622 177.300 -0.482 0.000 1.190 36 P CA 0.274 63.099 63.100 -0.458 0.000 0.781 36 P CB -0.085 31.226 31.700 -0.649 0.000 0.931 37 W N 2.262 123.553 121.300 -0.014 0.000 1.836 37 W HA 0.251 4.911 4.660 0.000 0.000 0.449 37 W C 1.141 177.633 176.519 -0.045 0.000 0.787 37 W CA -0.594 56.719 57.345 -0.052 0.000 1.729 37 W CB -0.320 29.108 29.460 -0.053 0.000 1.802 37 W HN -0.019 nan 8.180 nan 0.000 0.257 38 Q N 1.368 121.197 119.800 0.048 0.000 2.491 38 Q HA -0.097 4.243 4.340 0.000 0.000 0.214 38 Q C 1.940 178.007 176.000 0.111 0.000 0.970 38 Q CA 0.186 56.021 55.803 0.054 0.000 0.960 38 Q CB -0.055 28.680 28.738 -0.005 0.000 0.996 38 Q HN 0.573 nan 8.270 nan 0.000 0.524 39 L N 1.495 122.782 121.223 0.106 0.000 1.951 39 L HA -0.308 4.032 4.340 0.000 0.000 0.222 39 L C 2.375 179.330 176.870 0.141 0.000 1.078 39 L CA 2.845 57.762 54.840 0.128 0.000 0.778 39 L CB -1.336 40.758 42.059 0.059 0.000 0.893 39 L HN 0.389 nan 8.230 nan 0.000 0.436 40 T N -2.466 112.132 114.554 0.073 0.000 2.536 40 T HA -0.378 3.972 4.350 0.000 0.000 0.263 40 T C 1.743 176.484 174.700 0.069 0.000 1.115 40 T CA 1.988 64.112 62.100 0.039 0.000 1.180 40 T CB -1.098 67.793 68.868 0.038 0.000 0.864 40 T HN 0.587 nan 8.240 nan 0.000 0.419 41 Q N 0.180 120.039 119.800 0.099 0.000 2.308 41 Q HA -0.049 4.291 4.340 0.000 0.000 0.209 41 Q C 1.975 178.087 176.000 0.187 0.000 0.985 41 Q CA 1.431 57.303 55.803 0.116 0.000 0.881 41 Q CB -0.419 28.372 28.738 0.088 0.000 0.917 41 Q HN 0.672 nan 8.270 nan 0.000 0.443 42 F N 0.794 120.775 119.950 0.053 0.000 2.118 42 F HA -0.055 4.472 4.527 0.000 0.000 0.293 42 F C 1.627 177.503 175.800 0.127 0.000 1.102 42 F CA 0.931 58.989 58.000 0.098 0.000 1.247 42 F CB -0.256 38.800 39.000 0.094 0.000 1.017 42 F HN -0.082 nan 8.300 nan 0.000 0.475 43 L N 0.334 121.479 121.223 -0.130 0.000 2.349 43 L HA -0.215 4.125 4.340 0.000 0.000 0.220 43 L C 1.762 178.565 176.870 -0.112 0.000 1.130 43 L CA 1.093 55.694 54.840 -0.397 0.000 0.791 43 L CB -0.790 40.892 42.059 -0.628 0.000 0.918 43 L HN 0.216 nan 8.230 nan 0.000 0.444 44 D N -1.104 119.308 120.400 0.019 0.000 2.146 44 D HA -0.167 4.473 4.640 0.000 0.000 0.209 44 D C 1.613 177.988 176.300 0.126 0.000 0.973 44 D CA 0.736 54.798 54.000 0.104 0.000 0.860 44 D CB -0.335 40.530 40.800 0.109 0.000 1.015 44 D HN 0.278 nan 8.370 nan 0.000 0.465 45 W N 2.462 123.739 121.300 -0.038 0.000 2.298 45 W HA -0.210 4.450 4.660 0.000 0.000 0.328 45 W C 2.255 178.740 176.519 -0.056 0.000 1.259 45 W CA 1.691 59.023 57.345 -0.023 0.000 1.251 45 W CB -0.699 28.773 29.460 0.019 0.000 1.161 45 W HN -0.057 nan 8.180 nan 0.000 0.466 46 I N 1.310 121.980 120.570 0.167 0.000 2.358 46 I HA -0.378 3.792 4.170 0.000 0.000 0.257 46 I C 1.451 177.522 176.117 -0.077 0.000 1.123 46 I CA 2.121 63.410 61.300 -0.019 0.000 1.393 46 I CB -0.671 37.129 38.000 -0.335 0.000 1.073 46 I HN 0.123 nan 8.210 nan 0.000 0.437 47 S N 0.293 115.972 115.700 -0.035 0.000 3.436 47 S HA -0.207 4.263 4.470 0.000 0.000 0.393 47 S C 0.669 175.235 174.600 -0.057 0.000 0.914 47 S CA 0.497 58.671 58.200 -0.043 0.000 1.317 47 S CB -1.668 61.455 63.200 -0.129 0.000 0.920 47 S HN 0.562 nan 8.310 nan 0.000 0.564 48 L N -0.199 120.977 121.223 -0.077 0.000 4.044 48 L HA -0.315 4.025 4.340 0.000 0.000 0.452 48 L C 1.446 178.256 176.870 -0.100 0.000 1.107 48 L CA 0.794 55.477 54.840 -0.261 0.000 0.957 48 L CB -2.130 39.732 42.059 -0.327 0.000 1.850 48 L HN 1.298 nan 8.230 nan 0.000 1.040 49 G N 0.341 109.126 108.800 -0.025 0.000 2.424 49 G HA2 -0.351 3.609 3.960 0.000 0.000 0.294 49 G HA3 -0.351 3.609 3.960 0.000 0.000 0.294 49 G C 0.632 175.534 174.900 0.002 0.000 0.939 49 G CA 0.858 45.966 45.100 0.013 0.000 1.143 49 G HN 0.488 nan 8.290 nan 0.000 0.507 50 R N -0.146 120.335 120.500 -0.032 0.000 2.427 50 R HA 0.491 4.831 4.340 0.000 0.000 0.262 50 R C 1.175 177.456 176.300 -0.030 0.000 0.943 50 R CA 0.782 56.862 56.100 -0.032 0.000 1.081 50 R CB 0.333 30.601 30.300 -0.053 0.000 1.166 50 R HN 1.079 nan 8.270 nan 0.000 0.534 51 G N -0.801 107.984 108.800 -0.025 0.000 2.442 51 G HA2 0.163 4.123 3.960 0.000 0.000 0.296 51 G HA3 0.163 4.123 3.960 0.000 0.000 0.296 51 G C -1.504 173.389 174.900 -0.013 0.000 1.564 51 G CA -1.018 44.068 45.100 -0.023 0.000 0.828 51 G HN 0.035 nan 8.290 nan 0.000 0.571 52 L N 1.194 122.428 121.223 0.018 0.000 2.615 52 L HA 0.359 4.699 4.340 0.000 0.000 0.271 52 L C 1.191 178.063 176.870 0.002 0.000 1.183 52 L CA -0.017 54.860 54.840 0.062 0.000 0.933 52 L CB 0.500 42.640 42.059 0.135 0.000 1.199 52 L HN 0.730 nan 8.230 nan 0.000 0.487 53 A N 3.842 126.638 122.820 -0.040 0.000 2.309 53 A HA 0.743 5.063 4.320 0.000 0.000 0.298 53 A C 0.041 177.569 177.584 -0.094 0.000 1.165 53 A CA -0.180 51.708 52.037 -0.249 0.000 0.821 53 A CB 0.842 19.540 19.000 -0.504 0.000 1.102 53 A HN 0.675 nan 8.150 nan 0.000 0.500 54 T N 0.607 115.091 114.554 -0.116 0.000 2.889 54 T HA 0.659 5.009 4.350 0.000 0.000 0.315 54 T C -0.363 174.456 174.700 0.199 0.000 1.291 54 T CA -0.231 61.944 62.100 0.125 0.000 1.028 54 T CB 1.754 70.706 68.868 0.140 0.000 1.235 54 T HN 0.996 nan 8.240 nan 0.000 0.491 55 S N -0.501 115.345 115.700 0.242 0.000 2.819 55 S HA 0.799 5.269 4.470 0.000 0.000 0.299 55 S C 0.944 175.565 174.600 0.035 0.000 1.192 55 S CA 0.258 58.589 58.200 0.217 0.000 0.847 55 S CB 0.823 64.257 63.200 0.391 0.000 1.224 55 S HN 0.837 nan 8.310 nan 0.000 0.537 56 A N 0.394 123.221 122.820 0.010 0.000 1.887 56 A HA 0.341 4.661 4.320 0.000 0.000 0.212 56 A C 1.703 179.182 177.584 -0.175 0.000 1.198 56 A CA 0.712 52.717 52.037 -0.054 0.000 0.628 56 A CB -0.748 18.246 19.000 -0.010 0.000 0.847 56 A HN 0.632 nan 8.150 nan 0.000 0.449 57 L N -0.645 120.405 121.223 -0.289 0.000 2.513 57 L HA 0.163 4.503 4.340 0.000 0.000 0.222 57 L C -0.439 176.190 176.870 -0.402 0.000 1.096 57 L CA 0.146 54.743 54.840 -0.404 0.000 0.857 57 L CB 0.652 42.346 42.059 -0.608 0.000 1.026 57 L HN 0.071 nan 8.230 nan 0.000 0.469 58 V N 1.517 121.218 119.914 -0.355 0.000 2.327 58 V HA 0.210 4.330 4.120 0.000 0.000 0.272 58 V C -1.558 174.445 176.094 -0.151 0.000 1.019 58 V CA -0.813 61.307 62.300 -0.301 0.000 0.814 58 V CB 1.465 33.014 31.823 -0.457 0.000 1.040 58 V HN -0.052 nan 8.190 nan 0.000 0.440 59 P HA 0.003 nan 4.420 nan 0.000 0.222 59 P C 0.524 177.631 177.300 -0.323 0.000 1.153 59 P CA 1.047 63.764 63.100 -0.637 0.000 0.798 59 P CB 0.552 31.232 31.700 -1.701 0.000 0.796 60 T N -6.043 108.445 114.554 -0.110 0.000 2.843 60 T HA 0.663 5.013 4.350 0.000 0.000 0.302 60 T C 1.022 175.865 174.700 0.239 0.000 1.232 60 T CA -0.167 61.996 62.100 0.106 0.000 1.009 60 T CB 1.415 70.298 68.868 0.026 0.000 1.254 60 T HN -0.092 nan 8.240 nan 0.000 0.504 61 A N 1.117 124.151 122.820 0.356 0.000 1.883 61 A HA 0.193 4.513 4.320 0.000 0.000 0.217 61 A C 2.394 180.184 177.584 0.344 0.000 1.186 61 A CA 2.156 54.475 52.037 0.470 0.000 0.624 61 A CB -1.700 17.558 19.000 0.431 0.000 0.822 61 A HN 1.422 nan 8.150 nan 0.000 0.444 62 G N -1.004 107.898 108.800 0.171 0.000 2.527 62 G HA2 -0.073 3.887 3.960 0.000 0.000 0.219 62 G HA3 -0.073 3.887 3.960 0.000 0.000 0.219 62 G C 1.606 176.547 174.900 0.068 0.000 1.117 62 G CA 1.325 46.462 45.100 0.061 0.000 0.759 62 G HN 0.508 nan 8.290 nan 0.000 0.556 63 S N -0.253 115.468 115.700 0.034 0.000 2.356 63 S HA 0.013 4.483 4.470 0.000 0.000 0.219 63 S C 2.197 176.842 174.600 0.074 0.000 1.036 63 S CA 0.673 58.885 58.200 0.021 0.000 0.965 63 S CB -0.123 63.021 63.200 -0.094 0.000 0.864 63 S HN 0.428 nan 8.310 nan 0.000 0.471 64 R N -0.167 120.339 120.500 0.010 0.000 2.120 64 R HA -0.117 4.223 4.340 0.000 0.000 0.234 64 R C 2.112 178.429 176.300 0.028 0.000 1.123 64 R CA 1.139 57.208 56.100 -0.051 0.000 0.975 64 R CB -0.379 29.828 30.300 -0.154 0.000 0.866 64 R HN 0.400 nan 8.270 nan 0.000 0.446 65 Y N -0.204 120.063 120.300 -0.054 0.000 2.145 65 Y HA -0.290 4.260 4.550 0.000 0.000 0.286 65 Y C 1.936 177.825 175.900 -0.018 0.000 1.145 65 Y CA 1.779 59.773 58.100 -0.176 0.000 1.148 65 Y CB -0.662 37.782 38.460 -0.026 0.000 0.981 65 Y HN 0.152 nan 8.280 nan 0.000 0.507 66 Y N 0.838 121.189 120.300 0.085 0.000 2.089 66 Y HA -0.308 4.242 4.550 0.000 0.000 0.282 66 Y C 2.508 178.373 175.900 -0.058 0.000 1.139 66 Y CA 2.345 60.458 58.100 0.021 0.000 1.123 66 Y CB -0.904 37.602 38.460 0.077 0.000 0.980 66 Y HN 0.195 nan 8.280 nan 0.000 0.493 67 Q N -0.360 119.412 119.800 -0.047 0.000 2.096 67 Q HA -0.300 4.040 4.340 0.000 0.000 0.208 67 Q C 2.337 178.203 176.000 -0.222 0.000 0.993 67 Q CA 2.568 58.269 55.803 -0.172 0.000 0.862 67 Q CB -0.321 28.367 28.738 -0.084 0.000 0.915 67 Q HN 0.587 nan 8.270 nan 0.000 0.416 68 M N -0.468 119.005 119.600 -0.211 0.000 2.149 68 M HA -0.210 4.270 4.480 0.000 0.000 0.261 68 M C 2.418 178.545 176.300 -0.288 0.000 1.064 68 M CA 1.360 56.513 55.300 -0.246 0.000 1.102 68 M CB -0.304 32.125 32.600 -0.286 0.000 1.369 68 M HN 0.147 nan 8.290 nan 0.000 0.408 69 S N -0.216 115.283 115.700 -0.334 0.000 2.355 69 S HA -0.160 4.310 4.470 0.000 0.000 0.222 69 S C 1.983 176.416 174.600 -0.278 0.000 1.031 69 S CA 1.443 59.450 58.200 -0.322 0.000 0.993 69 S CB -0.368 62.639 63.200 -0.321 0.000 0.859 69 S HN 0.608 nan 8.310 nan 0.000 0.453 70 C N 1.202 120.301 119.300 -0.335 0.000 2.413 70 C HA -0.028 4.432 4.460 0.000 0.000 0.276 70 C C 2.512 177.442 174.990 -0.100 0.000 1.236 70 C CA 0.931 59.811 59.018 -0.230 0.000 1.735 70 C CB -1.661 25.919 27.740 -0.267 0.000 2.031 70 C HN 0.673 nan 8.230 nan 0.000 0.474 71 L N 0.512 121.668 121.223 -0.112 0.000 2.043 71 L HA -0.145 4.195 4.340 0.000 0.000 0.212 71 L C 2.261 179.069 176.870 -0.103 0.000 1.075 71 L CA 1.826 56.634 54.840 -0.054 0.000 0.752 71 L CB -0.656 41.325 42.059 -0.132 0.000 0.891 71 L HN 0.323 nan 8.230 nan 0.000 0.432 72 L N -1.644 119.467 121.223 -0.185 0.000 2.072 72 L HA -0.141 4.199 4.340 0.000 0.000 0.205 72 L C 2.426 179.235 176.870 -0.102 0.000 1.079 72 L CA 1.174 55.892 54.840 -0.204 0.000 0.752 72 L CB -0.475 41.411 42.059 -0.289 0.000 0.906 72 L HN 0.184 nan 8.230 nan 0.000 0.436 73 S N -0.098 115.547 115.700 -0.092 0.000 2.400 73 S HA -0.134 4.336 4.470 0.000 0.000 0.232 73 S C 1.825 176.365 174.600 -0.101 0.000 1.025 73 S CA 1.190 59.365 58.200 -0.042 0.000 0.993 73 S CB -0.537 62.624 63.200 -0.065 0.000 0.808 73 S HN 0.623 nan 8.310 nan 0.000 0.478 74 G N 2.009 110.676 108.800 -0.222 0.000 2.607 74 G HA2 -0.147 3.813 3.960 0.000 0.000 0.215 74 G HA3 -0.147 3.813 3.960 0.000 0.000 0.215 74 G C 1.657 176.133 174.900 -0.707 0.000 1.275 74 G CA 1.429 46.075 45.100 -0.758 0.000 0.842 74 G HN 0.554 nan 8.290 nan 0.000 0.555 75 T N 0.555 114.858 114.554 -0.419 0.000 2.680 75 T HA -0.183 4.167 4.350 0.000 0.000 0.268 75 T C 2.407 177.316 174.700 0.350 0.000 1.033 75 T CA 1.564 63.650 62.100 -0.024 0.000 1.152 75 T CB -0.561 68.230 68.868 -0.128 0.000 0.859 75 T HN 0.110 nan 8.240 nan 0.000 0.452 76 L N 0.667 122.054 121.223 0.273 0.000 2.265 76 L HA -0.079 4.261 4.340 0.000 0.000 0.215 76 L C 3.029 180.014 176.870 0.190 0.000 1.117 76 L CA 1.283 56.294 54.840 0.284 0.000 0.782 76 L CB -0.612 41.561 42.059 0.190 0.000 0.914 76 L HN 0.429 nan 8.230 nan 0.000 0.441 77 Q N -0.399 119.453 119.800 0.087 0.000 2.436 77 Q HA -0.099 4.241 4.340 0.000 0.000 0.209 77 Q C 2.087 178.150 176.000 0.105 0.000 0.965 77 Q CA 0.742 56.588 55.803 0.071 0.000 0.910 77 Q CB 0.181 28.963 28.738 0.072 0.000 0.980 77 Q HN 0.606 nan 8.270 nan 0.000 0.491 78 I N 1.385 122.046 120.570 0.152 0.000 2.188 78 I HA -0.136 4.034 4.170 0.000 0.000 0.237 78 I C -0.738 175.453 176.117 0.124 0.000 1.073 78 I CA 0.671 62.075 61.300 0.173 0.000 1.359 78 I CB -1.161 37.023 38.000 0.307 0.000 1.083 78 I HN 0.089 nan 8.210 nan 0.000 0.412 79 P HA -0.130 nan 4.420 nan 0.000 0.233 79 P C 1.193 178.404 177.300 -0.149 0.000 1.167 79 P CA 1.386 64.420 63.100 -0.109 0.000 0.770 79 P CB -0.100 31.237 31.700 -0.605 0.000 0.837 80 F N 0.086 119.986 119.950 -0.084 0.000 2.732 80 F HA 0.202 4.729 4.527 0.000 0.000 0.303 80 F C 1.505 177.342 175.800 0.062 0.000 1.110 80 F CA -0.298 57.643 58.000 -0.098 0.000 1.355 80 F CB -0.101 38.462 39.000 -0.729 0.000 1.081 80 F HN -0.310 nan 8.300 nan 0.000 0.565 81 R N 1.900 122.520 120.500 0.201 0.000 2.594 81 R HA 0.042 4.382 4.340 0.000 0.000 0.272 81 R C -1.146 175.180 176.300 0.043 0.000 1.074 81 R CA -1.205 54.984 56.100 0.148 0.000 1.105 81 R CB -0.147 30.214 30.300 0.101 0.000 1.008 81 R HN -0.055 nan 8.270 nan 0.000 0.472 82 P HA -0.286 nan 4.420 nan 0.000 0.218 82 P C 0.301 177.298 177.300 -0.505 0.000 1.152 82 P CA 1.725 64.698 63.100 -0.211 0.000 0.857 82 P CB 0.010 31.671 31.700 -0.065 0.000 0.787 83 N N -0.715 117.828 118.700 -0.261 0.000 2.457 83 N HA -0.184 4.556 4.740 0.000 0.000 0.180 83 N C 0.270 175.723 175.510 -0.094 0.000 1.050 83 N CA 0.602 53.543 53.050 -0.181 0.000 0.906 83 N CB -1.484 36.976 38.487 -0.045 0.000 0.968 83 N HN 0.334 nan 8.380 nan 0.000 0.445 84 H N -1.363 117.767 119.070 0.100 0.000 2.862 84 H HA -0.088 4.468 4.556 0.000 0.000 0.290 84 H C -0.383 175.071 175.328 0.211 0.000 1.211 84 H CA 0.063 56.202 56.048 0.152 0.000 1.140 84 H CB -0.947 28.871 29.762 0.093 0.000 1.341 84 H HN 0.126 nan 8.280 nan 0.000 0.392 85 R N 1.218 121.859 120.500 0.236 0.000 2.441 85 R HA 0.032 4.372 4.340 0.000 0.000 0.284 85 R C 1.000 177.417 176.300 0.195 0.000 1.070 85 R CA 0.099 56.301 56.100 0.170 0.000 1.047 85 R CB 0.419 30.741 30.300 0.036 0.000 1.016 85 R HN 0.625 nan 8.270 nan 0.000 0.477 86 W N 1.513 122.871 121.300 0.095 0.000 2.866 86 W HA 0.284 4.944 4.660 0.000 0.000 0.258 86 W C 0.261 176.867 176.519 0.145 0.000 1.183 86 W CA 0.438 57.822 57.345 0.066 0.000 1.451 86 W CB 0.269 29.715 29.460 -0.023 0.000 0.959 86 W HN 0.584 nan 8.180 nan 0.000 0.622 87 G N 2.359 110.467 108.800 -1.153 0.000 4.144 87 G HA2 0.059 4.019 3.960 0.000 0.000 0.297 87 G HA3 0.059 4.019 3.960 0.000 0.000 0.297 87 G C 0.420 175.023 174.900 -0.495 0.000 1.090 87 G CA 0.356 44.928 45.100 -0.880 0.000 0.870 87 G HN 0.207 nan 8.290 nan 0.000 0.532 88 D N 0.205 120.422 120.400 -0.305 0.000 2.392 88 D HA 0.070 4.710 4.640 0.000 0.000 0.206 88 D C 1.019 177.272 176.300 -0.078 0.000 1.046 88 D CA 0.038 53.932 54.000 -0.176 0.000 0.865 88 D CB 0.319 41.036 40.800 -0.139 0.000 0.969 88 D HN 0.508 nan 8.370 nan 0.000 0.509 89 I N -2.138 118.414 120.570 -0.031 0.000 2.969 89 I HA 0.563 4.733 4.170 0.000 0.000 0.307 89 I C -0.371 175.779 176.117 0.055 0.000 1.149 89 I CA -1.481 59.830 61.300 0.018 0.000 1.008 89 I CB 2.483 40.510 38.000 0.044 0.000 1.232 89 I HN -0.254 nan 8.210 nan 0.000 0.435 90 R N 1.971 122.506 120.500 0.059 0.000 2.705 90 R HA 0.659 4.999 4.340 0.000 0.000 0.246 90 R C -1.700 174.703 176.300 0.171 0.000 1.142 90 R CA -0.554 55.591 56.100 0.074 0.000 1.114 90 R CB 1.642 31.952 30.300 0.017 0.000 1.256 90 R HN 0.666 nan 8.270 nan 0.000 0.536 91 F N 1.806 121.728 119.950 -0.046 0.000 2.949 91 F HA 0.314 4.841 4.527 0.000 0.000 0.376 91 F C -0.719 175.041 175.800 -0.067 0.000 1.205 91 F CA -1.505 56.470 58.000 -0.042 0.000 1.155 91 F CB 0.108 39.081 39.000 -0.044 0.000 1.495 91 F HN 0.661 nan 8.300 nan 0.000 0.551 92 L N 6.743 127.765 121.223 -0.335 0.000 3.548 92 L HA -0.341 3.999 4.340 0.000 0.000 0.443 92 L C 0.796 177.521 176.870 -0.242 0.000 1.286 92 L CA 0.859 55.474 54.840 -0.376 0.000 0.863 92 L CB -1.839 39.839 42.059 -0.635 0.000 1.734 92 L HN 0.857 nan 8.230 nan 0.000 0.873 93 R N -3.392 117.023 120.500 -0.141 0.000 3.840 93 R HA -0.140 4.200 4.340 0.000 0.000 0.464 93 R C 0.084 176.321 176.300 -0.105 0.000 0.986 93 R CA 1.475 57.511 56.100 -0.106 0.000 1.305 93 R CB -1.262 28.973 30.300 -0.109 0.000 1.950 93 R HN 0.536 nan 8.270 nan 0.000 0.526 94 L N 1.432 122.581 121.223 -0.123 0.000 2.334 94 L HA 0.772 5.112 4.340 0.000 0.000 0.273 94 L C 0.457 177.269 176.870 -0.097 0.000 1.013 94 L CA -1.167 53.596 54.840 -0.129 0.000 0.816 94 L CB 1.960 43.910 42.059 -0.183 0.000 1.278 94 L HN -0.052 nan 8.230 nan 0.000 0.431 95 V N -2.143 117.703 119.914 -0.113 0.000 3.114 95 V HA 0.526 4.646 4.120 0.000 0.000 0.308 95 V C -1.285 174.779 176.094 -0.049 0.000 1.168 95 V CA -1.081 61.190 62.300 -0.048 0.000 1.015 95 V CB 1.665 33.498 31.823 0.017 0.000 1.050 95 V HN 0.699 nan 8.190 nan 0.000 0.433 96 W N 1.312 122.709 121.300 0.161 0.000 2.190 96 W HA 0.491 5.151 4.660 0.000 0.000 0.330 96 W C 1.724 178.432 176.519 0.316 0.000 1.299 96 W CA 0.503 57.988 57.345 0.234 0.000 1.215 96 W CB 1.022 30.677 29.460 0.326 0.000 1.147 96 W HN 0.732 nan 8.180 nan 0.000 0.563 97 S N 1.684 117.648 115.700 0.441 0.000 2.402 97 S HA 0.172 4.642 4.470 0.000 0.000 0.229 97 S C 0.491 175.247 174.600 0.261 0.000 1.021 97 S CA 1.119 59.498 58.200 0.298 0.000 0.974 97 S CB -0.125 63.182 63.200 0.177 0.000 0.800 97 S HN 0.557 nan 8.310 nan 0.000 0.484 98 A N -0.183 122.680 122.820 0.071 0.000 2.566 98 A HA 0.586 4.906 4.320 0.000 0.000 0.290 98 A C -2.677 174.266 177.584 -1.068 0.000 1.071 98 A CA -1.066 50.557 52.037 -0.688 0.000 0.658 98 A CB -0.057 18.693 19.000 -0.417 0.000 1.285 98 A HN -0.078 nan 8.150 nan 0.000 0.427 99 P HA -0.117 nan 4.420 nan 0.000 0.218 99 P C 1.058 177.762 177.300 -0.994 0.000 1.146 99 P CA 2.254 64.344 63.100 -1.683 0.000 0.813 99 P CB -0.045 30.328 31.700 -2.213 0.000 0.778 100 T N -2.260 111.856 114.554 -0.729 0.000 3.324 100 T HA 0.199 4.549 4.350 0.000 0.000 0.250 100 T C 0.670 175.326 174.700 -0.073 0.000 1.059 100 T CA -0.308 61.521 62.100 -0.452 0.000 0.951 100 T CB -1.355 67.194 68.868 -0.531 0.000 1.030 100 T HN 0.016 nan 8.240 nan 0.000 0.576 101 L N 0.498 121.664 121.223 -0.094 0.000 3.954 101 L HA -0.243 4.097 4.340 0.000 0.000 0.462 101 L C -0.176 177.040 176.870 0.576 0.000 1.195 101 L CA 0.282 55.208 54.840 0.144 0.000 0.739 101 L CB -2.157 39.829 42.059 -0.122 0.000 1.599 101 L HN 0.308 nan 8.230 nan 0.000 0.838 102 D N 0.168 120.796 120.400 0.381 0.000 2.340 102 D HA 0.407 5.047 4.640 0.000 0.000 0.220 102 D C 1.217 177.713 176.300 0.327 0.000 1.039 102 D CA 0.964 55.174 54.000 0.349 0.000 0.866 102 D CB 0.619 41.515 40.800 0.159 0.000 0.913 102 D HN 0.668 nan 8.370 nan 0.000 0.523 103 G N -0.433 108.583 108.800 0.360 0.000 2.340 103 G HA2 0.353 4.313 3.960 0.000 0.000 0.300 103 G HA3 0.353 4.313 3.960 0.000 0.000 0.300 103 G C -1.846 173.082 174.900 0.045 0.000 1.488 103 G CA -1.042 44.155 45.100 0.161 0.000 0.878 103 G HN 0.037 nan 8.290 nan 0.000 0.618 104 L N 0.087 121.232 121.223 -0.130 0.000 2.330 104 L HA 0.907 5.247 4.340 0.000 0.000 0.271 104 L C 0.456 177.258 176.870 -0.113 0.000 1.013 104 L CA -1.298 53.403 54.840 -0.232 0.000 0.816 104 L CB 1.884 43.700 42.059 -0.405 0.000 1.287 104 L HN 0.851 nan 8.230 nan 0.000 0.435 105 V N -0.689 119.173 119.914 -0.087 0.000 3.206 105 V HA 0.554 4.674 4.120 0.000 0.000 0.305 105 V C -0.280 175.780 176.094 -0.057 0.000 1.257 105 V CA -0.978 61.292 62.300 -0.049 0.000 1.057 105 V CB 1.782 33.604 31.823 -0.002 0.000 1.075 105 V HN 0.360 nan 8.190 nan 0.000 0.443 106 V N 1.594 121.481 119.914 -0.045 0.000 2.740 106 V HA 0.522 4.642 4.120 0.000 0.000 0.303 106 V C 1.206 177.280 176.094 -0.033 0.000 1.054 106 V CA 0.622 62.893 62.300 -0.047 0.000 1.106 106 V CB 0.724 32.523 31.823 -0.040 0.000 0.957 106 V HN 1.450 nan 8.190 nan 0.000 0.486 107 A N 6.817 129.614 122.820 -0.039 0.000 2.445 107 A HA 0.518 4.838 4.320 0.000 0.000 0.242 107 A C -2.125 175.446 177.584 -0.023 0.000 1.075 107 A CA -1.013 51.007 52.037 -0.029 0.000 0.777 107 A CB -0.349 18.631 19.000 -0.033 0.000 1.013 107 A HN 0.743 nan 8.150 nan 0.000 0.493 108 P HA 0.129 nan 4.420 nan 0.000 0.272 108 P C -1.735 175.554 177.300 -0.019 0.000 1.223 108 P CA -1.207 61.884 63.100 -0.015 0.000 0.784 108 P CB 0.268 31.958 31.700 -0.016 0.000 0.923 109 P HA -0.273 nan 4.420 nan 0.000 0.216 109 P C 1.256 178.546 177.300 -0.018 0.000 1.157 109 P CA 1.892 64.982 63.100 -0.017 0.000 0.880 109 P CB -0.222 31.470 31.700 -0.014 0.000 0.791 110 Q N -0.118 119.672 119.800 -0.017 0.000 2.364 110 Q HA -0.049 4.291 4.340 0.000 0.000 0.209 110 Q C 1.874 177.861 176.000 -0.021 0.000 0.977 110 Q CA 1.345 57.137 55.803 -0.018 0.000 0.885 110 Q CB -1.397 27.331 28.738 -0.018 0.000 0.941 110 Q HN 0.200 nan 8.270 nan 0.000 0.464 111 V N 0.573 120.473 119.914 -0.024 0.000 3.125 111 V HA -0.034 4.086 4.120 0.000 0.000 0.249 111 V C 2.307 178.389 176.094 -0.021 0.000 1.113 111 V CA 0.370 62.655 62.300 -0.025 0.000 1.106 111 V CB -0.300 31.504 31.823 -0.031 0.000 0.768 111 V HN 0.156 nan 8.190 nan 0.000 0.468 112 L N 0.493 121.702 121.223 -0.023 0.000 2.141 112 L HA -0.093 4.247 4.340 0.000 0.000 0.209 112 L C 2.720 179.577 176.870 -0.022 0.000 1.094 112 L CA 1.357 56.182 54.840 -0.025 0.000 0.763 112 L CB -0.566 41.476 42.059 -0.028 0.000 0.908 112 L HN 0.385 nan 8.230 nan 0.000 0.437 113 A N -0.617 122.191 122.820 -0.019 0.000 1.908 113 A HA -0.156 4.164 4.320 0.000 0.000 0.218 113 A C 1.307 178.882 177.584 -0.015 0.000 1.181 113 A CA 1.019 53.046 52.037 -0.017 0.000 0.627 113 A CB -0.310 18.680 19.000 -0.015 0.000 0.818 113 A HN 0.426 nan 8.150 nan 0.000 0.445 114 Q N -0.018 119.774 119.800 -0.013 0.000 2.256 114 Q HA 0.332 4.673 4.340 0.000 0.000 0.232 114 Q C -2.299 173.697 176.000 -0.006 0.000 0.965 114 Q CA -2.234 53.564 55.803 -0.009 0.000 0.908 114 Q CB 0.281 29.014 28.738 -0.009 0.000 1.209 114 Q HN 0.321 nan 8.270 nan 0.000 0.489 115 P HA 0.007 nan 4.420 nan 0.000 0.271 115 P C -1.199 176.111 177.300 0.017 0.000 1.233 115 P CA 0.078 63.180 63.100 0.005 0.000 0.789 115 P CB 0.594 32.298 31.700 0.007 0.000 0.951 116 A N 1.642 124.478 122.820 0.026 0.000 2.246 116 A HA 0.426 4.746 4.320 0.000 0.000 0.291 116 A C -0.143 177.494 177.584 0.089 0.000 1.103 116 A CA -0.595 51.477 52.037 0.059 0.000 0.844 116 A CB -0.120 18.914 19.000 0.056 0.000 1.136 116 A HN 0.576 nan 8.150 nan 0.000 0.500 117 L N -0.017 121.292 121.223 0.143 0.000 2.380 117 L HA 0.248 4.588 4.340 0.000 0.000 0.273 117 L C -0.051 176.904 176.870 0.141 0.000 1.138 117 L CA 0.362 55.280 54.840 0.130 0.000 0.832 117 L CB 0.553 42.690 42.059 0.129 0.000 1.124 117 L HN 0.593 nan 8.230 nan 0.000 0.454 118 Q N 5.121 124.981 119.800 0.100 0.000 2.566 118 Q HA 0.388 4.728 4.340 0.000 0.000 0.221 118 Q C -0.048 176.019 176.000 0.112 0.000 1.195 118 Q CA -0.203 55.657 55.803 0.094 0.000 0.967 118 Q CB 0.643 29.421 28.738 0.066 0.000 1.337 118 Q HN 0.817 nan 8.270 nan 0.000 0.553 119 A N 2.792 125.690 122.820 0.130 0.000 2.492 119 A HA 0.131 4.451 4.320 0.000 0.000 0.236 119 A C 0.290 178.045 177.584 0.286 0.000 1.078 119 A CA 0.247 52.369 52.037 0.142 0.000 0.773 119 A CB 0.495 19.546 19.000 0.085 0.000 1.023 119 A HN 0.639 nan 8.150 nan 0.000 0.504 120 Q N -0.551 119.398 119.800 0.248 0.000 2.378 120 Q HA 0.658 4.998 4.340 0.000 0.000 0.276 120 Q C -0.247 175.727 176.000 -0.043 0.000 1.083 120 Q CA -0.790 55.159 55.803 0.244 0.000 0.856 120 Q CB 2.122 30.916 28.738 0.095 0.000 1.383 120 Q HN 0.930 nan 8.270 nan 0.000 0.458 121 A N 0.367 122.950 122.820 -0.395 0.000 2.269 121 A HA 0.364 4.684 4.320 0.000 0.000 0.319 121 A C -0.547 176.796 177.584 -0.403 0.000 1.110 121 A CA -0.444 51.102 52.037 -0.819 0.000 0.847 121 A CB 0.291 18.516 19.000 -1.292 0.000 1.161 121 A HN 0.877 nan 8.150 nan 0.000 0.497 122 D N 0.388 120.566 120.400 -0.370 0.000 2.720 122 D HA -0.130 4.510 4.640 0.000 0.000 0.229 122 D C -0.209 175.926 176.300 -0.275 0.000 1.198 122 D CA 1.011 54.850 54.000 -0.268 0.000 0.639 122 D CB -0.685 39.985 40.800 -0.217 0.000 1.003 122 D HN 0.448 nan 8.370 nan 0.000 0.411 123 R N -0.082 120.226 120.500 -0.319 0.000 2.457 123 R HA 0.551 4.891 4.340 0.000 0.000 0.284 123 R C 0.123 176.059 176.300 -0.606 0.000 1.024 123 R CA -0.709 55.105 56.100 -0.477 0.000 1.025 123 R CB 1.783 31.750 30.300 -0.554 0.000 1.063 123 R HN -0.087 nan 8.270 nan 0.000 0.493 124 V N 4.262 123.760 119.914 -0.694 0.000 2.409 124 V HA 0.395 4.515 4.120 0.000 0.000 0.291 124 V C -0.920 174.709 176.094 -0.775 0.000 1.020 124 V CA -0.695 61.228 62.300 -0.629 0.000 0.848 124 V CB 1.024 32.639 31.823 -0.347 0.000 0.990 124 V HN 0.610 nan 8.190 nan 0.000 0.430 125 Y N 1.684 121.549 120.300 -0.724 0.000 2.562 125 Y HA 0.580 5.130 4.550 0.000 0.000 0.343 125 Y C -0.005 175.671 175.900 -0.374 0.000 1.025 125 Y CA -0.954 56.769 58.100 -0.629 0.000 1.082 125 Y CB 1.897 39.709 38.460 -1.081 0.000 1.264 125 Y HN 0.518 nan 8.280 nan 0.000 0.478 126 D N 0.365 120.872 120.400 0.179 0.000 2.440 126 D HA 0.198 4.838 4.640 0.000 0.000 0.239 126 D C 0.331 176.924 176.300 0.488 0.000 1.084 126 D CA -0.293 53.884 54.000 0.295 0.000 0.843 126 D CB 1.500 42.450 40.800 0.250 0.000 1.097 126 D HN 0.707 nan 8.370 nan 0.000 0.531 127 C N 2.446 122.079 119.300 0.556 0.000 2.376 127 C HA -0.174 4.286 4.460 0.000 0.000 0.275 127 C C 1.825 177.088 174.990 0.454 0.000 1.200 127 C CA 0.575 59.964 59.018 0.618 0.000 1.756 127 C CB -0.468 27.525 27.740 0.421 0.000 2.050 127 C HN 0.680 nan 8.230 nan 0.000 0.460 128 D N 0.569 121.172 120.400 0.339 0.000 2.417 128 D HA -0.106 4.535 4.640 0.000 0.000 0.225 128 D C 1.395 177.802 176.300 0.178 0.000 0.983 128 D CA 0.998 55.135 54.000 0.228 0.000 0.949 128 D CB -0.533 40.389 40.800 0.204 0.000 0.879 128 D HN 0.605 nan 8.370 nan 0.000 0.520 129 D N -0.781 119.769 120.400 0.251 0.000 2.289 129 D HA -0.095 4.545 4.640 0.000 0.000 0.207 129 D C 0.313 176.556 176.300 -0.095 0.000 0.966 129 D CA 0.219 54.326 54.000 0.179 0.000 0.868 129 D CB 0.191 41.199 40.800 0.346 0.000 0.943 129 D HN 0.266 nan 8.370 nan 0.000 0.514 130 Y N 1.200 121.340 120.300 -0.266 0.000 2.367 130 Y HA 0.220 4.770 4.550 0.000 0.000 0.342 130 Y C -1.802 173.925 175.900 -0.289 0.000 0.979 130 Y CA -2.299 55.471 58.100 -0.550 0.000 1.161 130 Y CB 1.467 39.513 38.460 -0.690 0.000 1.155 130 Y HN -0.167 nan 8.280 nan 0.000 0.503 131 P HA -0.310 nan 4.420 nan 0.000 0.210 131 P C 1.253 178.247 177.300 -0.511 0.000 1.151 131 P CA 2.285 65.014 63.100 -0.619 0.000 0.949 131 P CB -0.045 31.131 31.700 -0.874 0.000 0.786 132 F N -1.834 117.805 119.950 -0.518 0.000 2.271 132 F HA -0.182 4.345 4.527 0.000 0.000 0.302 132 F C 2.289 178.098 175.800 0.015 0.000 1.063 132 F CA 0.998 58.848 58.000 -0.249 0.000 1.362 132 F CB -1.005 37.854 39.000 -0.234 0.000 1.060 132 F HN -0.063 nan 8.300 nan 0.000 0.521 133 L N -1.323 120.088 121.223 0.313 0.000 2.253 133 L HA 0.077 4.417 4.340 0.000 0.000 0.205 133 L C 2.555 179.524 176.870 0.165 0.000 1.078 133 L CA 0.751 55.800 54.840 0.348 0.000 0.805 133 L CB -0.531 41.744 42.059 0.360 0.000 0.963 133 L HN 0.086 nan 8.230 nan 0.000 0.459 134 A N -0.007 122.861 122.820 0.078 0.000 2.066 134 A HA -0.109 4.211 4.320 0.000 0.000 0.218 134 A C 2.207 179.792 177.584 0.002 0.000 1.157 134 A CA 0.933 52.996 52.037 0.042 0.000 0.670 134 A CB -0.283 18.726 19.000 0.015 0.000 0.804 134 A HN 0.314 nan 8.150 nan 0.000 0.453 135 R N -0.886 119.585 120.500 -0.048 0.000 2.210 135 R HA 0.019 4.359 4.340 0.000 0.000 0.203 135 R C -0.201 176.079 176.300 -0.035 0.000 1.010 135 R CA 0.854 56.911 56.100 -0.072 0.000 1.008 135 R CB 0.159 30.363 30.300 -0.159 0.000 0.923 135 R HN 0.322 nan 8.270 nan 0.000 0.469 136 D N 0.199 120.606 120.400 0.011 0.000 2.456 136 D HA 0.184 4.824 4.640 0.000 0.000 0.287 136 D C -2.049 174.301 176.300 0.084 0.000 1.186 136 D CA -2.602 51.417 54.000 0.032 0.000 0.916 136 D CB 1.259 42.065 40.800 0.009 0.000 1.029 136 D HN -0.217 nan 8.370 nan 0.000 0.498 137 P HA -0.249 nan 4.420 nan 0.000 0.219 137 P C 1.492 178.809 177.300 0.028 0.000 1.161 137 P CA 1.296 64.415 63.100 0.033 0.000 0.909 137 P CB 0.257 31.941 31.700 -0.026 0.000 0.793 138 R N -1.482 119.007 120.500 -0.018 0.000 2.097 138 R HA -0.219 4.121 4.340 0.000 0.000 0.236 138 R C 2.264 178.578 176.300 0.024 0.000 1.135 138 R CA 1.963 58.046 56.100 -0.028 0.000 0.934 138 R CB -1.169 29.119 30.300 -0.020 0.000 0.846 138 R HN 0.091 nan 8.270 nan 0.000 0.431 139 F N 1.949 121.840 119.950 -0.097 0.000 2.087 139 F HA -0.297 4.230 4.527 0.000 0.000 0.299 139 F C 2.373 178.072 175.800 -0.169 0.000 1.100 139 F CA 2.093 60.012 58.000 -0.134 0.000 1.226 139 F CB -0.350 38.585 39.000 -0.108 0.000 0.983 139 F HN -0.015 nan 8.300 nan 0.000 0.479 140 K N -0.574 119.760 120.400 -0.110 0.000 1.991 140 K HA -0.240 4.080 4.320 0.000 0.000 0.212 140 K C 2.274 178.647 176.600 -0.378 0.000 1.049 140 K CA 2.010 58.119 56.287 -0.296 0.000 0.932 140 K CB -0.691 31.667 32.500 -0.237 0.000 0.717 140 K HN 0.454 nan 8.250 nan 0.000 0.441 141 H N -0.315 118.529 119.070 -0.377 0.000 2.387 141 H HA -0.162 4.394 4.556 0.000 0.000 0.299 141 H C 2.438 177.606 175.328 -0.266 0.000 1.099 141 H CA 1.735 57.600 56.048 -0.305 0.000 1.315 141 H CB 0.055 29.689 29.762 -0.213 0.000 1.380 141 H HN 0.259 nan 8.280 nan 0.000 0.513 142 R N 0.876 121.253 120.500 -0.205 0.000 2.073 142 R HA -0.102 4.238 4.340 0.000 0.000 0.234 142 R C 2.310 178.367 176.300 -0.404 0.000 1.134 142 R CA 1.375 57.304 56.100 -0.284 0.000 0.952 142 R CB -0.156 29.973 30.300 -0.286 0.000 0.850 142 R HN 0.029 nan 8.270 nan 0.000 0.433 143 V N 0.203 119.745 119.914 -0.621 0.000 2.358 143 V HA -0.222 3.898 4.120 0.000 0.000 0.246 143 V C 1.982 177.794 176.094 -0.469 0.000 1.047 143 V CA 1.629 63.437 62.300 -0.820 0.000 1.035 143 V CB -0.759 30.264 31.823 -1.334 0.000 0.658 143 V HN 0.374 nan 8.190 nan 0.000 0.452 144 Y N 1.102 121.119 120.300 -0.471 0.000 2.193 144 Y HA -0.315 4.235 4.550 0.000 0.000 0.285 144 Y C 2.677 178.469 175.900 -0.180 0.000 1.166 144 Y CA 1.899 59.819 58.100 -0.300 0.000 1.181 144 Y CB -0.442 37.810 38.460 -0.347 0.000 0.976 144 Y HN 0.312 nan 8.280 nan 0.000 0.520 145 Q N -0.516 119.198 119.800 -0.144 0.000 2.197 145 Q HA -0.333 4.007 4.340 0.000 0.000 0.211 145 Q C 2.179 178.079 176.000 -0.167 0.000 0.993 145 Q CA 2.355 58.068 55.803 -0.150 0.000 0.883 145 Q CB -0.185 28.440 28.738 -0.188 0.000 0.916 145 Q HN 0.670 nan 8.270 nan 0.000 0.418 146 Q N -0.271 119.420 119.800 -0.180 0.000 2.089 146 Q HA -0.024 4.316 4.340 0.000 0.000 0.195 146 Q C 2.256 178.146 176.000 -0.183 0.000 0.963 146 Q CA 0.579 56.308 55.803 -0.124 0.000 0.834 146 Q CB 0.017 28.755 28.738 -0.001 0.000 0.906 146 Q HN 0.378 nan 8.270 nan 0.000 0.452 147 L N 0.768 121.841 121.223 -0.249 0.000 2.129 147 L HA -0.237 4.103 4.340 0.000 0.000 0.212 147 L C 2.405 179.057 176.870 -0.365 0.000 1.087 147 L CA 0.898 55.525 54.840 -0.355 0.000 0.757 147 L CB -0.450 41.297 42.059 -0.519 0.000 0.896 147 L HN 0.154 nan 8.230 nan 0.000 0.434 148 S N -0.045 115.405 115.700 -0.416 0.000 2.345 148 S HA -0.133 4.338 4.470 0.000 0.000 0.220 148 S C 2.266 176.774 174.600 -0.153 0.000 1.031 148 S CA 1.113 59.169 58.200 -0.240 0.000 0.996 148 S CB -0.349 62.805 63.200 -0.077 0.000 0.882 148 S HN 0.505 nan 8.310 nan 0.000 0.445 149 A N 1.259 124.014 122.820 -0.108 0.000 1.986 149 A HA -0.090 4.230 4.320 0.000 0.000 0.220 149 A C 2.303 179.790 177.584 -0.162 0.000 1.171 149 A CA 1.621 53.628 52.037 -0.050 0.000 0.640 149 A CB -0.928 18.062 19.000 -0.015 0.000 0.811 149 A HN 0.344 nan 8.150 nan 0.000 0.451 150 V N -0.766 118.998 119.914 -0.250 0.000 2.244 150 V HA -0.220 3.900 4.120 0.000 0.000 0.244 150 V C 2.711 178.650 176.094 -0.257 0.000 1.042 150 V CA 2.464 64.594 62.300 -0.283 0.000 1.006 150 V CB -1.396 30.275 31.823 -0.254 0.000 0.641 150 V HN 0.575 nan 8.190 nan 0.000 0.446 151 T N 0.581 114.939 114.554 -0.327 0.000 2.699 151 T HA -0.214 4.136 4.350 0.000 0.000 0.268 151 T C 1.805 176.242 174.700 -0.438 0.000 1.036 151 T CA 1.661 63.468 62.100 -0.487 0.000 1.147 151 T CB -0.413 67.886 68.868 -0.948 0.000 0.862 151 T HN 0.275 nan 8.240 nan 0.000 0.446 152 L N 0.172 121.199 121.223 -0.327 0.000 2.450 152 L HA 0.010 4.350 4.340 0.000 0.000 0.224 152 L C 2.065 178.886 176.870 -0.083 0.000 1.149 152 L CA 0.456 55.214 54.840 -0.136 0.000 0.816 152 L CB -0.210 41.868 42.059 0.031 0.000 0.932 152 L HN 0.234 nan 8.230 nan 0.000 0.449 153 L N -1.441 119.722 121.223 -0.101 0.000 2.470 153 L HA 0.158 4.498 4.340 0.000 0.000 0.219 153 L C 1.691 178.531 176.870 -0.049 0.000 1.071 153 L CA 1.076 55.886 54.840 -0.050 0.000 0.850 153 L CB -0.141 41.913 42.059 -0.008 0.000 1.040 153 L HN 0.092 nan 8.230 nan 0.000 0.475 154 N N -0.482 118.155 118.700 -0.106 0.000 2.353 154 N HA 0.081 4.821 4.740 0.000 0.000 0.185 154 N C 1.699 177.141 175.510 -0.115 0.000 1.098 154 N CA 0.508 53.500 53.050 -0.097 0.000 0.872 154 N CB 0.077 38.486 38.487 -0.131 0.000 0.970 154 N HN 0.343 nan 8.380 nan 0.000 0.467 155 L N 0.336 121.477 121.223 -0.136 0.000 2.083 155 L HA -0.073 4.267 4.340 0.000 0.000 0.209 155 L C 0.944 177.784 176.870 -0.050 0.000 1.083 155 L CA 1.023 55.791 54.840 -0.121 0.000 0.752 155 L CB -0.312 41.667 42.059 -0.132 0.000 0.899 155 L HN 0.273 nan 8.230 nan 0.000 0.433 156 T N -5.735 108.820 114.554 0.002 0.000 2.887 156 T HA 0.437 4.787 4.350 0.000 0.000 0.292 156 T C 0.719 175.447 174.700 0.046 0.000 1.087 156 T CA -0.170 61.980 62.100 0.083 0.000 1.009 156 T CB 1.696 70.715 68.868 0.252 0.000 1.203 156 T HN 0.030 nan 8.240 nan 0.000 0.518 157 G N -0.342 108.429 108.800 -0.048 0.000 2.848 157 G HA2 0.289 4.249 3.960 0.000 0.000 0.208 157 G HA3 0.289 4.249 3.960 0.000 0.000 0.208 157 G C 0.001 174.717 174.900 -0.306 0.000 1.152 157 G CA -0.182 44.791 45.100 -0.213 0.000 0.789 157 G HN 0.540 nan 8.290 nan 0.000 0.531 158 F N 0.379 120.319 119.950 -0.017 0.000 2.317 158 F HA 0.597 5.124 4.527 0.000 0.000 0.266 158 F C 1.570 177.309 175.800 -0.101 0.000 0.913 158 F CA -0.163 57.822 58.000 -0.025 0.000 1.117 158 F CB -0.357 38.598 39.000 -0.075 0.000 1.980 158 F HN 0.031 nan 8.300 nan 0.000 0.600 159 G N -0.992 107.739 108.800 -0.115 0.000 2.557 159 G HA2 0.476 4.436 3.960 0.000 0.000 0.292 159 G HA3 0.476 4.436 3.960 0.000 0.000 0.292 159 G C -2.830 171.717 174.900 -0.589 0.000 1.237 159 G CA -1.467 43.051 45.100 -0.969 0.000 0.978 159 G HN 0.167 nan 8.290 nan 0.000 0.498 160 P HA 0.157 nan 4.420 nan 0.000 0.271 160 P C -0.081 177.165 177.300 -0.090 0.000 1.226 160 P CA 0.083 63.020 63.100 -0.272 0.000 0.765 160 P CB 0.571 32.127 31.700 -0.240 0.000 0.835 161 I N 1.942 122.518 120.570 0.009 0.000 2.638 161 I HA 0.133 4.303 4.170 0.000 0.000 0.286 161 I C 0.729 176.952 176.117 0.177 0.000 1.088 161 I CA 0.623 61.986 61.300 0.106 0.000 1.397 161 I CB 0.529 38.615 38.000 0.145 0.000 1.414 161 I HN 0.300 nan 8.210 nan 0.000 0.566 162 S N 3.687 119.491 115.700 0.174 0.000 2.570 162 S HA 0.436 4.906 4.470 0.000 0.000 0.286 162 S C -1.300 173.349 174.600 0.081 0.000 1.099 162 S CA -0.504 57.784 58.200 0.147 0.000 0.913 162 S CB 1.826 65.101 63.200 0.125 0.000 1.085 162 S HN 0.442 nan 8.310 nan 0.000 0.480 163 Y N 2.133 122.361 120.300 -0.119 0.000 2.388 163 Y HA 0.593 5.143 4.550 0.000 0.000 0.328 163 Y C -1.205 174.505 175.900 -0.317 0.000 0.963 163 Y CA -0.876 57.008 58.100 -0.360 0.000 1.240 163 Y CB 0.478 38.746 38.460 -0.320 0.000 1.118 163 Y HN 0.364 nan 8.280 nan 0.000 0.484 164 V N 8.038 127.493 119.914 -0.766 0.000 2.350 164 V HA 0.519 4.639 4.120 0.000 0.000 0.276 164 V C -0.229 175.417 176.094 -0.747 0.000 1.028 164 V CA -0.632 61.272 62.300 -0.659 0.000 0.860 164 V CB 1.079 32.586 31.823 -0.527 0.000 0.990 164 V HN 0.759 nan 8.190 nan 0.000 0.453 165 R N 3.811 123.930 120.500 -0.635 0.000 2.686 165 R HA 0.832 5.172 4.340 0.000 0.000 0.286 165 R C -2.024 174.150 176.300 -0.209 0.000 0.969 165 R CA -0.487 55.339 56.100 -0.458 0.000 0.898 165 R CB 2.340 32.344 30.300 -0.494 0.000 1.183 165 R HN 0.479 nan 8.270 nan 0.000 0.456 166 V N 3.464 123.314 119.914 -0.107 0.000 2.588 166 V HA 0.429 4.549 4.120 0.000 0.000 0.304 166 V C -1.117 175.019 176.094 0.070 0.000 1.042 166 V CA -0.582 61.724 62.300 0.009 0.000 0.877 166 V CB 1.808 33.658 31.823 0.046 0.000 0.996 166 V HN 0.824 nan 8.190 nan 0.000 0.425 167 D N 2.976 123.471 120.400 0.159 0.000 2.369 167 D HA 0.147 4.787 4.640 0.000 0.000 0.212 167 D C 0.695 177.157 176.300 0.270 0.000 1.326 167 D CA -0.338 53.757 54.000 0.158 0.000 0.933 167 D CB 1.710 42.564 40.800 0.091 0.000 1.516 167 D HN 0.480 nan 8.370 nan 0.000 0.557 168 E N 1.747 122.092 120.200 0.242 0.000 2.267 168 E HA -0.157 4.193 4.350 0.000 0.000 0.197 168 E C 0.491 177.255 176.600 0.273 0.000 0.998 168 E CA 1.082 57.638 56.400 0.260 0.000 0.830 168 E CB 0.282 30.024 29.700 0.069 0.000 0.751 168 E HN 0.544 nan 8.360 nan 0.000 0.491 169 D N 0.065 120.572 120.400 0.178 0.000 2.264 169 D HA -0.089 4.551 4.640 0.000 0.000 0.208 169 D C 1.824 178.204 176.300 0.134 0.000 0.966 169 D CA 0.689 54.768 54.000 0.132 0.000 0.864 169 D CB -0.052 40.796 40.800 0.080 0.000 0.933 169 D HN 0.164 nan 8.370 nan 0.000 0.499 170 M N -0.899 118.790 119.600 0.148 0.000 2.132 170 M HA -0.069 4.411 4.480 0.000 0.000 0.263 170 M C 0.114 176.419 176.300 0.008 0.000 1.065 170 M CA 0.772 56.086 55.300 0.024 0.000 1.122 170 M CB -0.213 32.345 32.600 -0.069 0.000 1.365 170 M HN 0.019 nan 8.290 nan 0.000 0.411 171 W N 2.595 123.908 121.300 0.021 0.000 2.804 171 W HA 0.069 4.729 4.660 0.000 0.000 0.360 171 W C 0.981 177.504 176.519 0.008 0.000 1.386 171 W CA 0.017 57.377 57.345 0.025 0.000 1.407 171 W CB -0.588 28.911 29.460 0.064 0.000 1.534 171 W HN 0.156 nan 8.180 nan 0.000 0.552 172 S N 1.263 117.031 115.700 0.113 0.000 2.795 172 S HA 0.780 5.250 4.470 0.000 0.000 0.308 172 S C 1.224 175.864 174.600 0.066 0.000 1.098 172 S CA -0.416 57.830 58.200 0.076 0.000 0.934 172 S CB 1.068 64.276 63.200 0.013 0.000 1.300 172 S HN 0.419 nan 8.310 nan 0.000 0.566 173 G N 1.205 110.027 108.800 0.036 0.000 2.575 173 G HA2 -0.201 3.759 3.960 0.000 0.000 0.215 173 G HA3 -0.201 3.759 3.960 0.000 0.000 0.215 173 G C 0.886 175.785 174.900 -0.001 0.000 1.262 173 G CA 1.308 46.424 45.100 0.028 0.000 0.807 173 G HN 0.928 nan 8.290 nan 0.000 0.567 174 D N 0.512 120.893 120.400 -0.031 0.000 2.170 174 D HA -0.194 4.446 4.640 0.000 0.000 0.193 174 D C 2.314 178.548 176.300 -0.110 0.000 1.004 174 D CA 1.726 55.684 54.000 -0.068 0.000 0.860 174 D CB -0.749 40.002 40.800 -0.081 0.000 0.931 174 D HN 0.254 nan 8.370 nan 0.000 0.448 175 V N 0.772 120.612 119.914 -0.123 0.000 2.233 175 V HA -0.314 3.806 4.120 0.000 0.000 0.247 175 V C 2.393 178.405 176.094 -0.137 0.000 1.050 175 V CA 2.106 64.289 62.300 -0.194 0.000 1.010 175 V CB -0.805 30.866 31.823 -0.253 0.000 0.637 175 V HN 0.277 nan 8.190 nan 0.000 0.444 176 N N -0.005 118.687 118.700 -0.014 0.000 2.060 176 N HA -0.286 4.454 4.740 0.000 0.000 0.195 176 N C 2.026 177.561 175.510 0.041 0.000 1.028 176 N CA 2.261 55.370 53.050 0.098 0.000 0.861 176 N CB -0.301 38.297 38.487 0.185 0.000 1.029 176 N HN 0.730 nan 8.380 nan 0.000 0.428 177 Q N 0.343 120.140 119.800 -0.004 0.000 2.061 177 Q HA -0.156 4.184 4.340 0.000 0.000 0.204 177 Q C 2.134 178.089 176.000 -0.076 0.000 0.984 177 Q CA 1.251 57.039 55.803 -0.026 0.000 0.846 177 Q CB -0.144 28.572 28.738 -0.037 0.000 0.902 177 Q HN 0.234 nan 8.270 nan 0.000 0.421 178 L N 0.340 121.484 121.223 -0.131 0.000 2.005 178 L HA -0.100 4.240 4.340 0.000 0.000 0.207 178 L C 2.207 178.943 176.870 -0.223 0.000 1.072 178 L CA 1.551 56.269 54.840 -0.204 0.000 0.744 178 L CB -1.056 40.847 42.059 -0.260 0.000 0.895 178 L HN 0.457 nan 8.230 nan 0.000 0.433 179 L N -0.466 120.674 121.223 -0.138 0.000 2.010 179 L HA -0.309 4.031 4.340 0.000 0.000 0.219 179 L C 2.549 179.389 176.870 -0.049 0.000 1.077 179 L CA 2.618 57.407 54.840 -0.083 0.000 0.773 179 L CB -0.778 41.128 42.059 -0.255 0.000 0.892 179 L HN 0.499 nan 8.230 nan 0.000 0.436 180 M N -0.233 119.386 119.600 0.032 0.000 2.331 180 M HA -0.259 4.221 4.480 0.000 0.000 0.260 180 M C 1.803 178.152 176.300 0.082 0.000 1.072 180 M CA 1.628 57.025 55.300 0.162 0.000 1.065 180 M CB -0.798 31.884 32.600 0.136 0.000 1.392 180 M HN 0.424 nan 8.290 nan 0.000 0.427 181 N N -1.013 117.599 118.700 -0.146 0.000 2.244 181 N HA -0.134 4.606 4.740 0.000 0.000 0.183 181 N C 1.231 176.641 175.510 -0.167 0.000 1.016 181 N CA 1.409 54.325 53.050 -0.223 0.000 0.866 181 N CB -0.394 37.817 38.487 -0.461 0.000 0.980 181 N HN 0.587 nan 8.380 nan 0.000 0.430 182 Y N 0.027 120.380 120.300 0.087 0.000 2.632 182 Y HA -0.021 4.529 4.550 0.000 0.000 0.301 182 Y C 0.584 176.637 175.900 0.255 0.000 1.172 182 Y CA -0.587 57.569 58.100 0.093 0.000 1.328 182 Y CB -0.424 38.048 38.460 0.020 0.000 1.016 182 Y HN -0.070 nan 8.280 nan 0.000 0.529 183 F N 1.533 121.634 119.950 0.251 0.000 2.546 183 F HA 0.317 4.844 4.527 0.000 0.000 0.388 183 F C 1.076 176.998 175.800 0.203 0.000 1.051 183 F CA 0.743 58.873 58.000 0.217 0.000 1.130 183 F CB 0.048 39.158 39.000 0.184 0.000 1.044 183 F HN 0.241 nan 8.300 nan 0.000 0.553 184 G N 3.363 111.920 108.800 -0.404 0.000 2.218 184 G HA2 -0.241 3.719 3.960 0.000 0.000 0.216 184 G HA3 -0.241 3.719 3.960 0.000 0.000 0.216 184 G C -0.118 174.645 174.900 -0.228 0.000 0.994 184 G CA -0.073 44.754 45.100 -0.455 0.000 0.637 184 G HN 0.825 nan 8.290 nan 0.000 0.505 185 H N 1.199 120.259 119.070 -0.016 0.000 2.488 185 H HA 0.626 5.182 4.556 0.000 0.000 0.347 185 H C 1.098 176.494 175.328 0.113 0.000 1.174 185 H CA 0.654 56.736 56.048 0.057 0.000 1.307 185 H CB 1.188 31.028 29.762 0.130 0.000 1.517 185 H HN 0.356 nan 8.280 nan 0.000 0.554 186 T N -1.043 113.646 114.554 0.225 0.000 2.816 186 T HA 0.013 4.363 4.350 0.000 0.000 0.282 186 T C 1.268 176.200 174.700 0.386 0.000 0.993 186 T CA -0.570 61.705 62.100 0.291 0.000 0.994 186 T CB 0.484 69.456 68.868 0.175 0.000 1.025 186 T HN 0.459 nan 8.240 nan 0.000 0.529 187 F N 1.785 121.921 119.950 0.309 0.000 2.065 187 F HA -0.025 4.502 4.527 0.000 0.000 0.298 187 F C 2.570 178.387 175.800 0.028 0.000 1.112 187 F CA 1.895 59.966 58.000 0.119 0.000 1.212 187 F CB -1.216 37.647 39.000 -0.228 0.000 0.975 187 F HN 0.799 nan 8.300 nan 0.000 0.476 188 A N 0.332 123.163 122.820 0.018 0.000 1.849 188 A HA -0.267 4.053 4.320 0.000 0.000 0.217 188 A C 2.134 179.635 177.584 -0.139 0.000 1.202 188 A CA 2.021 53.996 52.037 -0.103 0.000 0.629 188 A CB -1.282 17.658 19.000 -0.100 0.000 0.834 188 A HN 0.548 nan 8.150 nan 0.000 0.447 189 E N -0.522 119.599 120.200 -0.132 0.000 2.197 189 E HA -0.253 4.097 4.350 0.000 0.000 0.205 189 E C 1.907 178.513 176.600 0.011 0.000 1.029 189 E CA 1.564 57.922 56.400 -0.071 0.000 0.828 189 E CB -0.451 29.314 29.700 0.108 0.000 0.737 189 E HN 0.748 nan 8.360 nan 0.000 0.464 190 I N 0.605 121.156 120.570 -0.031 0.000 2.206 190 I HA -0.192 3.978 4.170 0.000 0.000 0.239 190 I C 2.677 178.705 176.117 -0.148 0.000 1.078 190 I CA 0.737 61.939 61.300 -0.163 0.000 1.367 190 I CB -0.518 37.321 38.000 -0.268 0.000 1.078 190 I HN 0.049 nan 8.210 nan 0.000 0.413 191 A N 0.663 123.344 122.820 -0.231 0.000 1.903 191 A HA -0.299 4.021 4.320 0.000 0.000 0.219 191 A C 2.221 179.822 177.584 0.028 0.000 1.191 191 A CA 1.931 53.856 52.037 -0.188 0.000 0.638 191 A CB -1.253 17.525 19.000 -0.370 0.000 0.823 191 A HN 0.412 nan 8.150 nan 0.000 0.451 192 Y N 0.753 120.985 120.300 -0.113 0.000 2.069 192 Y HA -0.273 4.277 4.550 0.000 0.000 0.278 192 Y C 3.283 179.177 175.900 -0.010 0.000 1.175 192 Y CA 2.036 60.110 58.100 -0.043 0.000 1.134 192 Y CB -1.215 37.231 38.460 -0.024 0.000 0.965 192 Y HN 0.583 nan 8.280 nan 0.000 0.498 193 T N -1.577 113.079 114.554 0.170 0.000 2.701 193 T HA -0.178 4.172 4.350 0.000 0.000 0.263 193 T C 2.095 176.871 174.700 0.126 0.000 1.040 193 T CA 1.538 63.720 62.100 0.137 0.000 1.147 193 T CB -0.880 68.085 68.868 0.162 0.000 0.865 193 T HN 0.315 nan 8.240 nan 0.000 0.426 194 L N 0.625 121.931 121.223 0.138 0.000 2.051 194 L HA -0.169 4.171 4.340 0.000 0.000 0.214 194 L C 3.298 180.257 176.870 0.148 0.000 1.076 194 L CA 1.638 56.633 54.840 0.258 0.000 0.758 194 L CB -1.150 41.077 42.059 0.280 0.000 0.890 194 L HN 0.462 nan 8.230 nan 0.000 0.433 195 C N -0.683 118.634 119.300 0.028 0.000 2.393 195 C HA -0.236 4.224 4.460 0.000 0.000 0.276 195 C C 2.924 177.847 174.990 -0.112 0.000 1.215 195 C CA 1.276 60.245 59.018 -0.082 0.000 1.743 195 C CB -0.693 26.995 27.740 -0.087 0.000 2.044 195 C HN 0.543 nan 8.230 nan 0.000 0.464 196 Q N 1.122 120.890 119.800 -0.052 0.000 2.050 196 Q HA -0.076 4.264 4.340 0.000 0.000 0.202 196 Q C 2.178 178.134 176.000 -0.073 0.000 0.980 196 Q CA 2.347 58.120 55.803 -0.051 0.000 0.840 196 Q CB -0.518 28.219 28.738 -0.002 0.000 0.898 196 Q HN 0.599 nan 8.270 nan 0.000 0.424 197 A N -0.566 122.229 122.820 -0.041 0.000 1.978 197 A HA -0.178 4.142 4.320 0.000 0.000 0.220 197 A C 2.262 179.744 177.584 -0.171 0.000 1.170 197 A CA 1.834 53.820 52.037 -0.086 0.000 0.636 197 A CB -0.972 17.966 19.000 -0.104 0.000 0.810 197 A HN 0.445 nan 8.150 nan 0.000 0.448 198 S N -0.576 114.946 115.700 -0.297 0.000 2.357 198 S HA 0.038 4.508 4.470 0.000 0.000 0.221 198 S C 2.199 176.510 174.600 -0.482 0.000 1.031 198 S CA 1.350 59.090 58.200 -0.767 0.000 0.982 198 S CB -0.439 62.049 63.200 -1.186 0.000 0.853 198 S HN 0.799 nan 8.310 nan 0.000 0.458 199 A N 1.938 124.571 122.820 -0.312 0.000 1.933 199 A HA -0.103 4.217 4.320 0.000 0.000 0.218 199 A C 1.990 179.475 177.584 -0.164 0.000 1.175 199 A CA 1.755 53.658 52.037 -0.222 0.000 0.628 199 A CB -0.770 18.134 19.000 -0.160 0.000 0.814 199 A HN 0.597 nan 8.150 nan 0.000 0.444 200 N N -0.774 117.846 118.700 -0.134 0.000 2.109 200 N HA -0.062 4.678 4.740 0.000 0.000 0.188 200 N C 1.086 176.547 175.510 -0.082 0.000 1.034 200 N CA 1.042 54.040 53.050 -0.086 0.000 0.846 200 N CB -0.150 38.302 38.487 -0.058 0.000 1.010 200 N HN 0.468 nan 8.380 nan 0.000 0.425 201 R N 0.835 121.279 120.500 -0.093 0.000 2.443 201 R HA 0.312 4.652 4.340 0.000 0.000 0.287 201 R C -2.750 173.513 176.300 -0.061 0.000 1.425 201 R CA -1.701 54.370 56.100 -0.049 0.000 1.300 201 R CB 1.079 31.380 30.300 0.002 0.000 1.129 201 R HN -0.066 nan 8.270 nan 0.000 0.577 202 P HA -0.148 nan 4.420 nan 0.000 0.263 202 P C -0.538 176.807 177.300 0.075 0.000 1.168 202 P CA 0.426 63.450 63.100 -0.127 0.000 0.759 202 P CB 0.344 32.012 31.700 -0.054 0.000 0.782 203 W N 2.666 123.983 121.300 0.029 0.000 2.126 203 W HA 0.166 4.826 4.660 0.000 0.000 0.346 203 W C 0.958 177.528 176.519 0.084 0.000 1.279 203 W CA -0.199 57.179 57.345 0.055 0.000 1.259 203 W CB -0.462 29.043 29.460 0.074 0.000 1.133 203 W HN 0.441 nan 8.180 nan 0.000 0.592 204 E N -0.367 120.026 120.200 0.321 0.000 2.330 204 E HA 0.022 4.372 4.350 0.000 0.000 0.256 204 E C 0.975 177.719 176.600 0.241 0.000 1.146 204 E CA -0.662 55.873 56.400 0.226 0.000 0.945 204 E CB 0.691 30.484 29.700 0.154 0.000 1.182 204 E HN 0.377 nan 8.360 nan 0.000 0.480 205 H N 0.937 120.075 119.070 0.114 0.000 2.253 205 H HA -0.125 4.431 4.556 0.000 0.000 0.296 205 H C 0.326 175.696 175.328 0.070 0.000 1.067 205 H CA 2.002 58.105 56.048 0.092 0.000 1.245 205 H CB 0.037 29.837 29.762 0.063 0.000 1.364 205 H HN 0.339 nan 8.280 nan 0.000 0.494 206 D N 0.558 120.883 120.400 -0.126 0.000 3.123 206 D HA 0.262 4.902 4.640 0.000 0.000 0.305 206 D C -0.079 176.171 176.300 -0.083 0.000 1.373 206 D CA 0.223 54.103 54.000 -0.200 0.000 0.889 206 D CB -0.207 40.490 40.800 -0.172 0.000 1.070 206 D HN 0.560 nan 8.370 nan 0.000 0.494 207 G N -0.839 107.930 108.800 -0.052 0.000 2.634 207 G HA2 0.123 4.083 3.960 0.000 0.000 0.255 207 G HA3 0.123 4.083 3.960 0.000 0.000 0.255 207 G C 1.204 176.022 174.900 -0.136 0.000 1.205 207 G CA -0.289 44.782 45.100 -0.048 0.000 0.884 207 G HN 0.176 nan 8.290 nan 0.000 0.549 208 T N -0.087 114.387 114.554 -0.133 0.000 2.674 208 T HA -0.163 4.187 4.350 0.000 0.000 0.265 208 T C 1.967 176.436 174.700 -0.384 0.000 1.039 208 T CA 1.782 63.743 62.100 -0.231 0.000 1.150 208 T CB -0.397 68.338 68.868 -0.222 0.000 0.864 208 T HN 0.457 nan 8.240 nan 0.000 0.427 209 Y N 1.513 121.518 120.300 -0.492 0.000 2.114 209 Y HA 0.002 4.552 4.550 0.000 0.000 0.284 209 Y C 2.848 178.129 175.900 -1.033 0.000 1.143 209 Y CA 0.852 58.442 58.100 -0.850 0.000 1.135 209 Y CB -0.861 36.786 38.460 -1.354 0.000 0.980 209 Y HN 0.180 nan 8.280 nan 0.000 0.499 210 A N 0.298 122.650 122.820 -0.780 0.000 1.958 210 A HA -0.290 4.030 4.320 0.000 0.000 0.221 210 A C 2.234 179.658 177.584 -0.267 0.000 1.178 210 A CA 2.271 54.066 52.037 -0.404 0.000 0.642 210 A CB -0.599 18.351 19.000 -0.083 0.000 0.816 210 A HN 0.458 nan 8.150 nan 0.000 0.453 211 R N -1.846 118.485 120.500 -0.282 0.000 2.055 211 R HA 0.066 4.406 4.340 0.000 0.000 0.226 211 R C 2.440 178.562 176.300 -0.297 0.000 1.135 211 R CA 1.251 57.203 56.100 -0.247 0.000 0.959 211 R CB -0.397 29.759 30.300 -0.240 0.000 0.854 211 R HN 0.656 nan 8.270 nan 0.000 0.431 212 M N 0.581 119.966 119.600 -0.358 0.000 2.106 212 M HA -0.228 4.252 4.480 0.000 0.000 0.259 212 M C 2.308 178.453 176.300 -0.258 0.000 1.068 212 M CA 2.172 57.257 55.300 -0.358 0.000 1.100 212 M CB -0.286 32.105 32.600 -0.347 0.000 1.351 212 M HN 0.168 nan 8.290 nan 0.000 0.404 213 T N -0.370 114.040 114.554 -0.240 0.000 2.759 213 T HA -0.238 4.112 4.350 0.000 0.000 0.269 213 T C 1.647 176.329 174.700 -0.029 0.000 1.042 213 T CA 2.066 64.106 62.100 -0.099 0.000 1.140 213 T CB -0.228 68.616 68.868 -0.040 0.000 0.864 213 T HN 0.630 nan 8.240 nan 0.000 0.455 214 Q N -0.274 119.487 119.800 -0.065 0.000 2.084 214 Q HA 0.014 4.354 4.340 0.000 0.000 0.202 214 Q C 2.429 178.380 176.000 -0.081 0.000 0.978 214 Q CA 1.611 57.392 55.803 -0.037 0.000 0.844 214 Q CB -0.200 28.507 28.738 -0.051 0.000 0.898 214 Q HN 0.599 nan 8.270 nan 0.000 0.426 215 I N 0.369 120.841 120.570 -0.164 0.000 2.286 215 I HA -0.283 3.887 4.170 0.000 0.000 0.248 215 I C 2.146 178.219 176.117 -0.072 0.000 1.115 215 I CA 0.992 62.169 61.300 -0.206 0.000 1.392 215 I CB -0.247 37.472 38.000 -0.468 0.000 1.065 215 I HN 0.249 nan 8.210 nan 0.000 0.418 216 I N 0.625 121.184 120.570 -0.018 0.000 2.142 216 I HA -0.320 3.850 4.170 0.000 0.000 0.240 216 I C 2.561 178.831 176.117 0.256 0.000 1.078 216 I CA 1.530 62.929 61.300 0.166 0.000 1.343 216 I CB -0.335 37.755 38.000 0.150 0.000 1.046 216 I HN 0.202 nan 8.210 nan 0.000 0.405 217 L N 0.629 121.975 121.223 0.206 0.000 1.997 217 L HA -0.305 4.035 4.340 0.000 0.000 0.216 217 L C 2.899 179.946 176.870 0.294 0.000 1.074 217 L CA 2.162 57.171 54.840 0.281 0.000 0.763 217 L CB -0.828 41.365 42.059 0.222 0.000 0.890 217 L HN 0.418 nan 8.230 nan 0.000 0.434 218 S N 0.020 115.792 115.700 0.121 0.000 2.359 218 S HA -0.214 4.256 4.470 0.000 0.000 0.224 218 S C 1.982 176.641 174.600 0.098 0.000 1.035 218 S CA 1.195 59.430 58.200 0.060 0.000 1.018 218 S CB -0.929 62.219 63.200 -0.087 0.000 0.876 218 S HN 0.356 nan 8.310 nan 0.000 0.448 219 L N -0.107 121.192 121.223 0.125 0.000 2.043 219 L HA -0.098 4.242 4.340 0.000 0.000 0.212 219 L C 2.557 179.597 176.870 0.284 0.000 1.075 219 L CA 2.093 57.084 54.840 0.252 0.000 0.752 219 L CB -0.696 41.601 42.059 0.396 0.000 0.891 219 L HN 0.334 nan 8.230 nan 0.000 0.432 220 F N -0.104 119.805 119.950 -0.069 0.000 2.031 220 F HA -0.245 4.282 4.527 0.000 0.000 0.295 220 F C 2.123 177.578 175.800 -0.576 0.000 1.133 220 F CA 1.498 59.065 58.000 -0.721 0.000 1.188 220 F CB -0.759 37.436 39.000 -1.342 0.000 0.974 220 F HN -0.051 nan 8.300 nan 0.000 0.473 221 W N 0.799 121.830 121.300 -0.447 0.000 2.317 221 W HA -0.195 4.465 4.660 0.000 0.000 0.318 221 W C 2.460 178.811 176.519 -0.280 0.000 1.227 221 W CA 1.605 58.691 57.345 -0.432 0.000 1.269 221 W CB -1.031 28.310 29.460 -0.199 0.000 1.155 221 W HN 0.033 nan 8.180 nan 0.000 0.484 222 L N -0.009 121.256 121.223 0.071 0.000 2.263 222 L HA -0.265 4.075 4.340 0.000 0.000 0.216 222 L C 2.109 179.032 176.870 0.088 0.000 1.111 222 L CA 1.237 56.125 54.840 0.080 0.000 0.773 222 L CB -0.565 41.551 42.059 0.096 0.000 0.906 222 L HN -0.028 nan 8.230 nan 0.000 0.439 223 S N -2.089 113.616 115.700 0.008 0.000 2.441 223 S HA -0.085 4.385 4.470 0.000 0.000 0.224 223 S C 1.696 176.324 174.600 0.047 0.000 1.043 223 S CA -0.049 58.229 58.200 0.131 0.000 0.948 223 S CB -0.213 63.127 63.200 0.233 0.000 0.810 223 S HN 0.346 nan 8.310 nan 0.000 0.504 224 Y N 2.673 122.577 120.300 -0.660 0.000 2.256 224 Y HA -0.114 4.436 4.550 0.000 0.000 0.288 224 Y C 1.924 177.721 175.900 -0.171 0.000 1.155 224 Y CA 0.939 58.531 58.100 -0.846 0.000 1.203 224 Y CB -0.257 37.342 38.460 -1.434 0.000 0.980 224 Y HN 0.056 nan 8.280 nan 0.000 0.530 225 V N -1.064 118.857 119.914 0.012 0.000 3.354 225 V HA 0.178 4.298 4.120 0.000 0.000 0.258 225 V C 1.723 177.945 176.094 0.214 0.000 1.159 225 V CA 1.109 63.464 62.300 0.092 0.000 1.125 225 V CB -0.416 31.447 31.823 0.066 0.000 0.774 225 V HN 0.620 nan 8.190 nan 0.000 0.464 226 G N -0.070 108.900 108.800 0.282 0.000 2.141 226 G HA2 -0.242 3.718 3.960 0.000 0.000 0.231 226 G HA3 -0.242 3.718 3.960 0.000 0.000 0.231 226 G C 0.634 175.606 174.900 0.120 0.000 0.984 226 G CA 0.359 45.529 45.100 0.117 0.000 0.660 226 G HN 0.293 nan 8.290 nan 0.000 0.525 227 V N 0.047 120.049 119.914 0.146 0.000 2.719 227 V HA 0.260 4.380 4.120 0.000 0.000 0.252 227 V C 1.522 177.720 176.094 0.172 0.000 1.065 227 V CA 1.703 64.083 62.300 0.134 0.000 1.086 227 V CB -0.164 31.719 31.823 0.101 0.000 0.700 227 V HN 0.513 nan 8.190 nan 0.000 0.467 228 I N 0.395 121.095 120.570 0.217 0.000 2.740 228 I HA 0.564 4.734 4.170 0.000 0.000 0.303 228 I C -0.357 175.918 176.117 0.263 0.000 1.044 228 I CA -0.614 60.779 61.300 0.154 0.000 1.064 228 I CB 2.170 40.297 38.000 0.212 0.000 1.249 228 I HN 0.328 nan 8.210 nan 0.000 0.433 229 H N 2.247 121.345 119.070 0.047 0.000 2.849 229 H HA 0.097 4.653 4.556 0.000 0.000 0.271 229 H C -0.434 174.565 175.328 -0.549 0.000 1.461 229 H CA -0.744 55.266 56.048 -0.064 0.000 1.146 229 H CB 1.111 30.873 29.762 -0.000 0.000 1.834 229 H HN 0.584 nan 8.280 nan 0.000 0.555 230 Q N -0.649 118.784 119.800 -0.612 0.000 2.376 230 Q HA -0.135 4.205 4.340 0.000 0.000 0.211 230 Q C 0.336 176.142 176.000 -0.325 0.000 0.986 230 Q CA 1.796 57.153 55.803 -0.744 0.000 0.886 230 Q CB 0.213 28.838 28.738 -0.188 0.000 0.927 230 Q HN 0.397 nan 8.270 nan 0.000 0.457 231 Q N -0.555 119.158 119.800 -0.146 0.000 2.155 231 Q HA 0.198 4.538 4.340 0.000 0.000 0.220 231 Q C -0.516 175.351 176.000 -0.222 0.000 0.819 231 Q CA 0.067 55.825 55.803 -0.075 0.000 1.032 231 Q CB 1.040 29.864 28.738 0.143 0.000 1.151 231 Q HN 0.212 nan 8.270 nan 0.000 0.487 232 N N 0.920 119.300 118.700 -0.533 0.000 3.354 232 N HA 0.002 4.742 4.740 0.000 0.000 0.196 232 N C -1.087 174.197 175.510 -0.378 0.000 1.486 232 N CA 0.290 53.099 53.050 -0.402 0.000 0.768 232 N CB 0.918 39.122 38.487 -0.472 0.000 1.625 232 N HN 0.053 nan 8.380 nan 0.000 0.636 233 T N -0.862 113.543 114.554 -0.248 0.000 2.897 233 T HA 0.384 4.734 4.350 0.000 0.000 0.278 233 T C -0.232 174.461 174.700 -0.013 0.000 0.981 233 T CA -0.445 61.605 62.100 -0.083 0.000 0.973 233 T CB 1.673 70.518 68.868 -0.039 0.000 1.092 233 T HN 0.281 nan 8.240 nan 0.000 0.543 234 Y N 1.467 121.790 120.300 0.038 0.000 2.593 234 Y HA 0.390 4.940 4.550 0.000 0.000 0.331 234 Y C 0.773 176.679 175.900 0.009 0.000 0.986 234 Y CA -0.636 57.479 58.100 0.024 0.000 1.262 234 Y CB -0.055 38.496 38.460 0.152 0.000 1.098 234 Y HN 0.847 nan 8.280 nan 0.000 0.506 235 R N 3.639 123.991 120.500 -0.246 0.000 3.422 235 R HA -0.264 4.076 4.340 0.000 0.000 0.267 235 R C 0.803 177.063 176.300 -0.067 0.000 1.074 235 R CA 0.990 56.956 56.100 -0.223 0.000 0.718 235 R CB -2.513 27.541 30.300 -0.410 0.000 1.157 235 R HN 1.114 nan 8.270 nan 0.000 0.440 236 T N -6.244 108.251 114.554 -0.098 0.000 7.013 236 T HA -0.293 4.057 4.350 0.000 0.000 0.288 236 T C 0.215 174.840 174.700 -0.125 0.000 2.146 236 T CA 1.638 63.635 62.100 -0.171 0.000 3.498 236 T CB -1.734 66.929 68.868 -0.342 0.000 1.517 236 T HN 0.339 nan 8.240 nan 0.000 1.113 237 F N 2.155 122.267 119.950 0.270 0.000 2.399 237 F HA 0.734 5.261 4.527 0.000 0.000 0.328 237 F C 0.260 176.335 175.800 0.459 0.000 1.084 237 F CA -0.321 57.883 58.000 0.340 0.000 1.053 237 F CB 1.249 40.446 39.000 0.328 0.000 1.209 237 F HN 0.482 nan 8.300 nan 0.000 0.502 238 Y N -0.393 120.119 120.300 0.353 0.000 2.661 238 Y HA 0.478 5.028 4.550 0.000 0.000 0.339 238 Y C -2.219 173.834 175.900 0.256 0.000 1.186 238 Y CA -2.174 56.107 58.100 0.302 0.000 1.137 238 Y CB 0.266 38.877 38.460 0.253 0.000 1.354 238 Y HN 0.389 nan 8.280 nan 0.000 0.469 239 F N 2.789 122.875 119.950 0.227 0.000 2.394 239 F HA 0.506 5.033 4.527 0.000 0.000 0.340 239 F C 0.256 176.255 175.800 0.332 0.000 1.105 239 F CA -0.061 58.066 58.000 0.210 0.000 1.124 239 F CB 1.823 41.003 39.000 0.300 0.000 1.145 239 F HN 0.650 nan 8.300 nan 0.000 0.505 240 Q N 2.926 122.947 119.800 0.368 0.000 2.309 240 Q HA 0.552 4.892 4.340 0.000 0.000 0.264 240 Q C -1.549 174.515 176.000 0.107 0.000 1.008 240 Q CA -0.552 55.420 55.803 0.282 0.000 0.853 240 Q CB 1.885 30.689 28.738 0.110 0.000 1.314 240 Q HN 0.754 nan 8.270 nan 0.000 0.448 241 C N 4.832 124.031 119.300 -0.169 0.000 2.446 241 C HA 0.553 5.013 4.460 0.000 0.000 0.329 241 C C 0.089 174.892 174.990 -0.312 0.000 1.166 241 C CA -0.580 58.079 59.018 -0.598 0.000 1.341 241 C CB 0.571 27.284 27.740 -1.711 0.000 1.970 241 C HN 1.023 nan 8.230 nan 0.000 0.452 242 N N 2.409 120.977 118.700 -0.219 0.000 2.416 242 N HA 0.062 4.802 4.740 0.000 0.000 0.177 242 N C 0.524 175.960 175.510 -0.123 0.000 1.036 242 N CA 0.776 53.756 53.050 -0.118 0.000 0.901 242 N CB 0.141 38.582 38.487 -0.076 0.000 0.976 242 N HN 0.685 nan 8.380 nan 0.000 0.444 243 R N 0.959 121.348 120.500 -0.185 0.000 3.026 243 R HA 0.233 4.573 4.340 0.000 0.000 0.317 243 R C -0.412 175.784 176.300 -0.173 0.000 1.278 243 R CA -0.616 55.401 56.100 -0.138 0.000 1.407 243 R CB 0.753 30.991 30.300 -0.103 0.000 1.368 243 R HN -0.055 nan 8.270 nan 0.000 0.612 244 R N 0.032 120.403 120.500 -0.216 0.000 2.583 244 R HA 0.010 4.350 4.340 0.000 0.000 0.274 244 R C 1.178 177.418 176.300 -0.100 0.000 0.998 244 R CA 2.179 58.132 56.100 -0.245 0.000 1.081 244 R CB 0.131 30.256 30.300 -0.291 0.000 0.940 244 R HN 0.575 nan 8.270 nan 0.000 0.413 245 G N 2.627 111.395 108.800 -0.053 0.000 2.345 245 G HA2 -0.292 3.668 3.960 0.000 0.000 0.218 245 G HA3 -0.292 3.668 3.960 0.000 0.000 0.218 245 G C 0.007 174.928 174.900 0.035 0.000 1.058 245 G CA 0.107 45.215 45.100 0.013 0.000 0.632 245 G HN 0.791 nan 8.290 nan 0.000 0.508 246 D N 1.402 121.805 120.400 0.004 0.000 2.429 246 D HA 0.348 4.988 4.640 0.000 0.000 0.233 246 D C 1.903 178.233 176.300 0.050 0.000 1.202 246 D CA 0.849 54.854 54.000 0.008 0.000 0.879 246 D CB 0.822 41.608 40.800 -0.023 0.000 1.212 246 D HN 0.708 nan 8.370 nan 0.000 0.465 247 A N 3.111 125.958 122.820 0.046 0.000 1.892 247 A HA -0.004 4.316 4.320 0.000 0.000 0.218 247 A C 1.168 178.818 177.584 0.110 0.000 1.188 247 A CA 1.983 54.076 52.037 0.093 0.000 0.631 247 A CB -0.366 18.668 19.000 0.056 0.000 0.822 247 A HN 0.623 nan 8.150 nan 0.000 0.447 248 A N 0.330 123.192 122.820 0.071 0.000 2.394 248 A HA 0.545 4.865 4.320 0.000 0.000 0.333 248 A C -0.326 177.296 177.584 0.064 0.000 1.397 248 A CA -0.490 51.596 52.037 0.081 0.000 0.884 248 A CB 0.106 19.138 19.000 0.053 0.000 1.147 248 A HN 0.493 nan 8.150 nan 0.000 0.505 249 E N 0.448 120.714 120.200 0.111 0.000 2.390 249 E HA 0.412 4.762 4.350 0.000 0.000 0.261 249 E C -0.841 175.808 176.600 0.081 0.000 1.076 249 E CA 0.032 56.471 56.400 0.066 0.000 0.905 249 E CB 1.335 31.166 29.700 0.219 0.000 0.984 249 E HN 0.349 nan 8.360 nan 0.000 0.427 250 V N 3.421 123.292 119.914 -0.072 0.000 2.488 250 V HA 0.213 4.333 4.120 0.000 0.000 0.293 250 V C -1.350 174.712 176.094 -0.054 0.000 1.027 250 V CA -0.741 61.574 62.300 0.024 0.000 0.862 250 V CB 0.550 32.368 31.823 -0.008 0.000 1.008 250 V HN 0.615 nan 8.190 nan 0.000 0.428 251 W N 5.317 126.711 121.300 0.157 0.000 2.469 251 W HA 0.774 5.434 4.660 0.000 0.000 0.320 251 W C -0.209 176.528 176.519 0.364 0.000 1.086 251 W CA -0.560 56.934 57.345 0.247 0.000 1.211 251 W CB 1.241 30.842 29.460 0.234 0.000 1.298 251 W HN 0.329 nan 8.180 nan 0.000 0.525 252 I N 4.275 125.153 120.570 0.513 0.000 2.433 252 I HA 0.240 4.410 4.170 0.000 0.000 0.292 252 I C -0.584 175.591 176.117 0.095 0.000 1.001 252 I CA -1.334 60.135 61.300 0.282 0.000 1.119 252 I CB 1.379 39.412 38.000 0.055 0.000 1.289 252 I HN 0.090 nan 8.210 nan 0.000 0.438 253 L N 7.033 128.152 121.223 -0.174 0.000 2.319 253 L HA 0.481 4.821 4.340 0.000 0.000 0.280 253 L C 0.232 176.957 176.870 -0.242 0.000 1.099 253 L CA 0.814 55.279 54.840 -0.625 0.000 0.828 253 L CB 0.570 42.305 42.059 -0.541 0.000 1.150 253 L HN 0.832 nan 8.230 nan 0.000 0.442 254 S N 4.090 119.635 115.700 -0.257 0.000 2.840 254 S HA 0.753 5.223 4.470 0.000 0.000 0.307 254 S C -0.713 174.009 174.600 0.202 0.000 1.180 254 S CA -0.785 57.428 58.200 0.020 0.000 0.846 254 S CB 1.129 64.221 63.200 -0.179 0.000 1.233 254 S HN 0.734 nan 8.310 nan 0.000 0.548 255 C N 0.514 120.054 119.300 0.399 0.000 2.848 255 C HA 0.972 5.432 4.460 0.000 0.000 0.317 255 C C -0.405 174.766 174.990 0.302 0.000 1.260 255 C CA -0.019 59.097 59.018 0.163 0.000 1.656 255 C CB 1.758 29.363 27.740 -0.225 0.000 2.174 255 C HN 1.011 nan 8.230 nan 0.000 0.479 256 S N 0.880 116.646 115.700 0.110 0.000 2.586 256 S HA 0.397 4.867 4.470 0.000 0.000 0.296 256 S C -0.397 174.174 174.600 -0.048 0.000 1.120 256 S CA -0.550 57.683 58.200 0.054 0.000 0.927 256 S CB 0.523 63.730 63.200 0.012 0.000 1.114 256 S HN 0.651 nan 8.310 nan 0.000 0.453 257 L N 4.548 125.741 121.223 -0.049 0.000 2.585 257 L HA 0.222 4.562 4.340 0.000 0.000 0.226 257 L C 2.046 178.894 176.870 -0.037 0.000 1.113 257 L CA 0.072 54.874 54.840 -0.063 0.000 0.876 257 L CB -0.404 41.618 42.059 -0.061 0.000 1.072 257 L HN 0.686 nan 8.230 nan 0.000 0.468 258 N N -0.317 118.367 118.700 -0.025 0.000 2.132 258 N HA -0.198 4.542 4.740 0.000 0.000 0.191 258 N C 0.539 176.086 175.510 0.061 0.000 1.015 258 N CA 1.226 54.273 53.050 -0.005 0.000 0.864 258 N CB -0.002 38.475 38.487 -0.018 0.000 1.006 258 N HN 0.440 nan 8.380 nan 0.000 0.430 259 H N -1.502 117.500 119.070 -0.112 0.000 3.043 259 H HA 0.149 4.705 4.556 0.000 0.000 0.317 259 H C -1.635 173.610 175.328 -0.138 0.000 1.321 259 H CA -0.497 55.480 56.048 -0.117 0.000 1.243 259 H CB 1.537 31.230 29.762 -0.116 0.000 1.924 259 H HN -0.161 nan 8.280 nan 0.000 0.527 260 S N 2.050 117.420 115.700 -0.549 0.000 2.746 260 S HA 0.418 4.888 4.470 0.000 0.000 0.273 260 S C -0.249 173.972 174.600 -0.632 0.000 1.172 260 S CA -0.271 57.647 58.200 -0.470 0.000 1.116 260 S CB 1.246 64.257 63.200 -0.315 0.000 1.057 260 S HN 0.750 nan 8.310 nan 0.000 0.483 261 A N 2.810 125.302 122.820 -0.546 0.000 2.587 261 A HA 0.069 4.389 4.320 0.000 0.000 0.235 261 A C 0.558 177.945 177.584 -0.328 0.000 1.044 261 A CA 0.309 52.107 52.037 -0.399 0.000 0.754 261 A CB 0.035 18.910 19.000 -0.208 0.000 0.968 261 A HN 0.775 nan 8.150 nan 0.000 0.509 262 Q N 1.370 121.027 119.800 -0.239 0.000 2.297 262 Q HA 0.331 4.671 4.340 0.000 0.000 0.267 262 Q C -0.700 175.204 176.000 -0.159 0.000 1.006 262 Q CA -0.170 55.520 55.803 -0.190 0.000 0.896 262 Q CB 0.302 28.971 28.738 -0.117 0.000 1.186 262 Q HN 0.613 nan 8.270 nan 0.000 0.392 263 I N 4.167 124.625 120.570 -0.188 0.000 2.460 263 I HA 0.355 4.525 4.170 0.000 0.000 0.298 263 I C 0.330 176.404 176.117 -0.071 0.000 0.989 263 I CA -0.526 60.699 61.300 -0.125 0.000 1.173 263 I CB 1.418 39.309 38.000 -0.182 0.000 1.338 263 I HN 0.650 nan 8.210 nan 0.000 0.456 264 R N 5.179 125.664 120.500 -0.025 0.000 2.491 264 R HA 0.309 4.649 4.340 0.000 0.000 0.283 264 R C -2.161 174.139 176.300 0.000 0.000 1.072 264 R CA -1.273 54.820 56.100 -0.012 0.000 1.048 264 R CB 0.032 30.333 30.300 0.002 0.000 0.983 264 R HN 0.340 nan 8.270 nan 0.000 0.450 265 P HA 0.203 nan 4.420 nan 0.000 0.272 265 P C -0.148 177.166 177.300 0.022 0.000 1.240 265 P CA 0.031 63.136 63.100 0.009 0.000 0.791 265 P CB 0.827 32.528 31.700 0.002 0.000 0.978 266 G N 0.282 109.102 108.800 0.033 0.000 2.408 266 G HA2 -0.004 3.956 3.960 0.000 0.000 0.682 266 G HA3 -0.004 3.956 3.960 0.000 0.000 0.682 266 G C -1.625 173.302 174.900 0.045 0.000 1.303 266 G CA -0.804 44.317 45.100 0.035 0.000 0.966 266 G HN 0.696 nan 8.290 nan 0.000 0.560 267 N N 0.356 119.081 118.700 0.040 0.000 2.399 267 N HA 0.637 5.377 4.740 0.000 0.000 0.280 267 N C -0.408 175.119 175.510 0.028 0.000 1.008 267 N CA -0.343 52.731 53.050 0.040 0.000 0.894 267 N CB 1.358 39.872 38.487 0.044 0.000 1.273 267 N HN 0.683 nan 8.380 nan 0.000 0.486 268 R N 1.082 121.588 120.500 0.009 0.000 2.673 268 R HA 0.556 4.896 4.340 0.000 0.000 0.281 268 R C -0.978 175.280 176.300 -0.069 0.000 0.991 268 R CA -0.767 55.326 56.100 -0.012 0.000 0.896 268 R CB 1.970 32.264 30.300 -0.011 0.000 1.201 268 R HN 0.724 nan 8.270 nan 0.000 0.457 269 S N 1.634 117.288 115.700 -0.075 0.000 2.588 269 S HA 0.788 5.258 4.470 0.000 0.000 0.269 269 S C -1.325 173.198 174.600 -0.127 0.000 1.157 269 S CA -0.988 57.097 58.200 -0.192 0.000 0.824 269 S CB 1.641 64.740 63.200 -0.170 0.000 1.126 269 S HN 0.488 nan 8.310 nan 0.000 0.464 270 L N -2.421 118.651 121.223 -0.252 0.000 2.838 270 L HA 0.883 5.223 4.340 0.000 0.000 0.266 270 L C -1.867 174.874 176.870 -0.214 0.000 1.040 270 L CA -1.021 53.762 54.840 -0.096 0.000 0.906 270 L CB 0.217 42.196 42.059 -0.132 0.000 1.501 270 L HN 0.673 nan 8.230 nan 0.000 0.407 271 F N 0.824 120.844 119.950 0.116 0.000 2.480 271 F HA 0.869 5.396 4.527 0.000 0.000 0.329 271 F C 0.334 176.140 175.800 0.012 0.000 1.091 271 F CA -0.555 57.489 58.000 0.074 0.000 0.972 271 F CB 2.218 41.288 39.000 0.116 0.000 1.150 271 F HN 0.573 nan 8.300 nan 0.000 0.467 272 V N 1.158 121.083 119.914 0.017 0.000 3.074 272 V HA 0.921 5.041 4.120 0.000 0.000 0.314 272 V C -0.694 175.429 176.094 0.049 0.000 1.117 272 V CA -1.207 61.051 62.300 -0.069 0.000 1.014 272 V CB 2.041 33.532 31.823 -0.552 0.000 1.057 272 V HN 0.838 nan 8.190 nan 0.000 0.438 273 M N 0.444 120.164 119.600 0.201 0.000 2.366 273 M HA 0.627 5.107 4.480 0.000 0.000 0.287 273 M C -3.336 173.012 176.300 0.080 0.000 1.083 273 M CA -1.208 54.179 55.300 0.145 0.000 0.934 273 M CB 2.282 34.886 32.600 0.007 0.000 1.852 273 M HN 0.472 nan 8.290 nan 0.000 0.502 274 P HA 0.195 nan 4.420 nan 0.000 0.275 274 P C 0.028 177.139 177.300 -0.315 0.000 1.227 274 P CA 0.009 62.684 63.100 -0.708 0.000 0.781 274 P CB 1.460 32.914 31.700 -0.410 0.000 0.906 275 T N -2.317 112.078 114.554 -0.266 0.000 2.990 275 T HA 0.077 4.427 4.350 0.000 0.000 0.250 275 T C 0.764 175.542 174.700 0.131 0.000 1.041 275 T CA 0.043 62.205 62.100 0.104 0.000 1.010 275 T CB -0.505 68.368 68.868 0.008 0.000 1.003 275 T HN 0.456 nan 8.240 nan 0.000 0.499 276 S N 2.205 117.880 115.700 -0.042 0.000 2.545 276 S HA 0.397 4.867 4.470 0.000 0.000 0.275 276 S C -1.992 172.465 174.600 -0.238 0.000 1.299 276 S CA -1.200 56.893 58.200 -0.178 0.000 1.048 276 S CB 1.346 64.495 63.200 -0.084 0.000 0.938 276 S HN -0.030 nan 8.310 nan 0.000 0.496 277 P HA -0.170 nan 4.420 nan 0.000 0.218 277 P C 0.623 177.512 177.300 -0.685 0.000 1.146 277 P CA 1.342 63.910 63.100 -0.887 0.000 0.820 277 P CB -0.206 30.511 31.700 -1.638 0.000 0.778 278 D N -1.427 118.737 120.400 -0.395 0.000 2.379 278 D HA -0.169 4.471 4.640 0.000 0.000 0.243 278 D C 1.448 177.751 176.300 0.005 0.000 1.088 278 D CA 0.190 54.145 54.000 -0.074 0.000 0.925 278 D CB -1.488 39.417 40.800 0.176 0.000 0.888 278 D HN 0.478 nan 8.370 nan 0.000 0.529 279 W N 0.740 122.000 121.300 -0.067 0.000 2.523 279 W HA 0.105 4.765 4.660 0.000 0.000 0.278 279 W C 0.706 177.241 176.519 0.026 0.000 1.236 279 W CA -0.334 57.007 57.345 -0.006 0.000 1.306 279 W CB -0.982 28.460 29.460 -0.030 0.000 1.101 279 W HN -0.160 nan 8.180 nan 0.000 0.577 280 N N 1.608 119.791 118.700 -0.862 0.000 2.586 280 N HA -0.135 4.606 4.740 0.000 0.000 0.191 280 N C 0.884 176.308 175.510 -0.142 0.000 1.085 280 N CA 1.485 54.069 53.050 -0.776 0.000 0.921 280 N CB -0.275 37.716 38.487 -0.828 0.000 0.954 280 N HN 0.382 nan 8.380 nan 0.000 0.448 281 M N -0.456 119.146 119.600 0.003 0.000 2.809 281 M HA 0.149 4.629 4.480 0.000 0.000 0.388 281 M C -0.663 175.744 176.300 0.178 0.000 1.248 281 M CA -0.132 55.242 55.300 0.124 0.000 0.885 281 M CB 0.935 33.622 32.600 0.146 0.000 1.386 281 M HN -0.227 nan 8.290 nan 0.000 0.509 282 D N 1.037 121.564 120.400 0.212 0.000 2.378 282 D HA 0.198 4.838 4.640 0.000 0.000 0.265 282 D C 0.821 177.240 176.300 0.197 0.000 1.229 282 D CA -0.085 54.045 54.000 0.217 0.000 0.914 282 D CB 1.657 42.602 40.800 0.242 0.000 1.140 282 D HN -0.037 nan 8.370 nan 0.000 0.516 283 V N 3.768 123.787 119.914 0.176 0.000 2.370 283 V HA -0.338 3.782 4.120 0.000 0.000 0.252 283 V C 1.867 178.034 176.094 0.121 0.000 1.068 283 V CA 2.121 64.515 62.300 0.156 0.000 1.061 283 V CB -0.550 31.356 31.823 0.138 0.000 0.656 283 V HN 0.509 nan 8.190 nan 0.000 0.455 284 N N 0.337 119.087 118.700 0.084 0.000 2.080 284 N HA -0.089 4.651 4.740 0.000 0.000 0.189 284 N C 1.780 177.193 175.510 -0.161 0.000 1.036 284 N CA 1.213 54.228 53.050 -0.059 0.000 0.846 284 N CB -0.390 37.889 38.487 -0.348 0.000 1.015 284 N HN 0.339 nan 8.380 nan 0.000 0.423 285 L N 0.702 121.854 121.223 -0.118 0.000 2.129 285 L HA -0.192 4.149 4.340 0.000 0.000 0.212 285 L C 1.980 178.877 176.870 0.045 0.000 1.087 285 L CA 1.068 55.891 54.840 -0.028 0.000 0.757 285 L CB -0.514 41.610 42.059 0.109 0.000 0.896 285 L HN 0.272 nan 8.230 nan 0.000 0.434 286 I N -0.631 119.966 120.570 0.046 0.000 2.188 286 I HA -0.270 3.900 4.170 0.000 0.000 0.237 286 I C 2.431 178.528 176.117 -0.034 0.000 1.073 286 I CA 1.027 62.296 61.300 -0.051 0.000 1.359 286 I CB -0.307 37.656 38.000 -0.063 0.000 1.083 286 I HN 0.142 nan 8.210 nan 0.000 0.412 287 L N 0.375 121.619 121.223 0.036 0.000 2.089 287 L HA -0.301 4.039 4.340 0.000 0.000 0.213 287 L C 2.792 179.696 176.870 0.056 0.000 1.079 287 L CA 1.630 56.493 54.840 0.038 0.000 0.758 287 L CB -0.697 41.349 42.059 -0.021 0.000 0.891 287 L HN 0.331 nan 8.230 nan 0.000 0.433 288 S N -0.804 114.975 115.700 0.133 0.000 2.374 288 S HA -0.283 4.187 4.470 0.000 0.000 0.227 288 S C 2.286 177.016 174.600 0.217 0.000 1.037 288 S CA 2.021 60.357 58.200 0.227 0.000 1.024 288 S CB -0.250 63.084 63.200 0.224 0.000 0.861 288 S HN 0.533 nan 8.310 nan 0.000 0.456 289 S N 0.074 115.876 115.700 0.169 0.000 2.343 289 S HA -0.125 4.345 4.470 0.000 0.000 0.219 289 S C 2.014 176.715 174.600 0.167 0.000 1.033 289 S CA 2.250 60.551 58.200 0.169 0.000 1.014 289 S CB -1.442 61.831 63.200 0.122 0.000 0.915 289 S HN 0.706 nan 8.310 nan 0.000 0.435 290 T N 3.108 117.751 114.554 0.149 0.000 2.684 290 T HA -0.183 4.167 4.350 0.000 0.000 0.267 290 T C 1.701 176.467 174.700 0.110 0.000 1.032 290 T CA 1.974 64.163 62.100 0.148 0.000 1.155 290 T CB -0.662 68.290 68.868 0.140 0.000 0.857 290 T HN 0.354 nan 8.240 nan 0.000 0.457 291 L N 0.770 122.060 121.223 0.110 0.000 2.027 291 L HA -0.097 4.243 4.340 0.000 0.000 0.206 291 L C 3.126 180.108 176.870 0.187 0.000 1.074 291 L CA 1.749 56.668 54.840 0.132 0.000 0.745 291 L CB -1.112 41.021 42.059 0.123 0.000 0.898 291 L HN 0.451 nan 8.230 nan 0.000 0.433 292 T N -2.663 112.015 114.554 0.206 0.000 2.977 292 T HA -0.099 4.251 4.350 0.000 0.000 0.271 292 T C 1.774 176.599 174.700 0.208 0.000 1.105 292 T CA 1.035 63.277 62.100 0.237 0.000 1.116 292 T CB -0.512 68.518 68.868 0.269 0.000 0.878 292 T HN 0.407 nan 8.240 nan 0.000 0.509 293 G N 0.496 109.398 108.800 0.169 0.000 2.404 293 G HA2 -0.157 3.803 3.960 0.000 0.000 0.214 293 G HA3 -0.157 3.803 3.960 0.000 0.000 0.214 293 G C 1.851 176.798 174.900 0.079 0.000 1.189 293 G CA 0.829 46.005 45.100 0.128 0.000 0.789 293 G HN 0.632 nan 8.290 nan 0.000 0.533 294 C N 0.099 119.420 119.300 0.035 0.000 2.410 294 C HA 0.026 4.486 4.460 0.000 0.000 0.281 294 C C 2.758 177.783 174.990 0.058 0.000 1.318 294 C CA 0.294 59.262 59.018 -0.082 0.000 1.776 294 C CB -1.085 26.488 27.740 -0.278 0.000 1.942 294 C HN 0.367 nan 8.230 nan 0.000 0.508 295 L N 0.619 121.969 121.223 0.212 0.000 2.046 295 L HA -0.157 4.183 4.340 0.000 0.000 0.208 295 L C 2.572 179.566 176.870 0.207 0.000 1.077 295 L CA 1.875 56.886 54.840 0.285 0.000 0.747 295 L CB -0.780 41.432 42.059 0.255 0.000 0.896 295 L HN 0.406 nan 8.230 nan 0.000 0.432 296 C N -1.876 117.519 119.300 0.159 0.000 2.410 296 C HA -0.160 4.300 4.460 0.000 0.000 0.281 296 C C 3.197 178.348 174.990 0.268 0.000 1.318 296 C CA 0.973 60.084 59.018 0.155 0.000 1.776 296 C CB -1.325 26.511 27.740 0.161 0.000 1.942 296 C HN 0.689 nan 8.230 nan 0.000 0.508 297 S N 0.831 116.677 115.700 0.244 0.000 2.370 297 S HA -0.102 4.368 4.470 0.000 0.000 0.226 297 S C 1.818 176.542 174.600 0.207 0.000 1.033 297 S CA 2.240 60.565 58.200 0.209 0.000 1.011 297 S CB -0.319 62.930 63.200 0.081 0.000 0.852 297 S HN 0.661 nan 8.310 nan 0.000 0.457 298 G N -0.600 108.367 108.800 0.279 0.000 2.848 298 G HA2 0.380 4.340 3.960 0.000 0.000 0.213 298 G HA3 0.380 4.340 3.960 0.000 0.000 0.213 298 G C 0.105 175.175 174.900 0.284 0.000 1.101 298 G CA -0.007 45.291 45.100 0.330 0.000 0.778 298 G HN 0.487 nan 8.290 nan 0.000 0.536 299 S N -0.168 115.676 115.700 0.241 0.000 2.537 299 S HA 0.526 4.996 4.470 0.000 0.000 0.301 299 S C -0.855 173.782 174.600 0.062 0.000 1.092 299 S CA -0.490 57.848 58.200 0.231 0.000 1.048 299 S CB 2.152 65.474 63.200 0.204 0.000 1.053 299 S HN 0.208 nan 8.310 nan 0.000 0.501 300 Q N 2.912 122.719 119.800 0.012 0.000 2.360 300 Q HA 0.471 4.811 4.340 0.000 0.000 0.254 300 Q C -0.933 174.986 176.000 -0.134 0.000 0.975 300 Q CA -0.211 55.516 55.803 -0.127 0.000 0.912 300 Q CB 0.153 28.795 28.738 -0.160 0.000 1.212 300 Q HN 0.614 nan 8.270 nan 0.000 0.452 301 L N 4.841 125.922 121.223 -0.238 0.000 2.479 301 L HA 0.487 4.827 4.340 0.000 0.000 0.248 301 L C -1.722 175.062 176.870 -0.143 0.000 1.205 301 L CA -2.186 52.479 54.840 -0.292 0.000 0.817 301 L CB 0.088 41.887 42.059 -0.432 0.000 1.162 301 L HN 0.596 nan 8.230 nan 0.000 0.486 302 P HA 0.154 nan 4.420 nan 0.000 0.272 302 P C -0.534 176.820 177.300 0.089 0.000 1.223 302 P CA -0.307 62.840 63.100 0.079 0.000 0.784 302 P CB 0.526 32.340 31.700 0.190 0.000 0.923 303 L N 1.831 123.069 121.223 0.026 0.000 2.464 303 L HA 0.243 4.583 4.340 0.000 0.000 0.264 303 L C 0.557 177.395 176.870 -0.052 0.000 1.199 303 L CA -0.150 54.674 54.840 -0.027 0.000 0.818 303 L CB 0.086 42.135 42.059 -0.018 0.000 1.102 303 L HN 0.225 nan 8.230 nan 0.000 0.473 304 I N 1.043 121.537 120.570 -0.126 0.000 2.336 304 I HA 0.088 4.258 4.170 0.000 0.000 0.292 304 I C -0.161 175.904 176.117 -0.087 0.000 0.991 304 I CA -0.608 60.575 61.300 -0.194 0.000 1.227 304 I CB 1.533 39.352 38.000 -0.301 0.000 1.366 304 I HN 0.549 nan 8.210 nan 0.000 0.466 305 D N 5.981 126.343 120.400 -0.063 0.000 2.451 305 D HA -0.071 4.569 4.640 0.000 0.000 0.254 305 D C 1.310 177.585 176.300 -0.040 0.000 1.204 305 D CA 0.344 54.322 54.000 -0.036 0.000 0.896 305 D CB 0.616 41.400 40.800 -0.028 0.000 1.136 305 D HN 0.360 nan 8.370 nan 0.000 0.499 306 N N 3.749 122.434 118.700 -0.026 0.000 2.096 306 N HA -0.237 4.503 4.740 0.000 0.000 0.195 306 N C 0.893 176.388 175.510 -0.025 0.000 1.017 306 N CA 0.940 53.976 53.050 -0.023 0.000 0.870 306 N CB -0.209 38.270 38.487 -0.014 0.000 1.024 306 N HN 0.552 nan 8.380 nan 0.000 0.434 307 N N 0.437 119.123 118.700 -0.023 0.000 2.585 307 N HA -0.018 4.722 4.740 0.000 0.000 0.188 307 N C 0.809 176.301 175.510 -0.029 0.000 1.102 307 N CA 0.418 53.455 53.050 -0.022 0.000 0.920 307 N CB 0.012 38.488 38.487 -0.019 0.000 0.963 307 N HN 0.153 nan 8.380 nan 0.000 0.447 308 S N -0.310 115.364 115.700 -0.043 0.000 2.524 308 S HA 0.088 4.558 4.470 0.000 0.000 0.215 308 S C 0.753 175.330 174.600 -0.038 0.000 0.986 308 S CA -0.397 57.768 58.200 -0.058 0.000 0.911 308 S CB 0.633 63.778 63.200 -0.092 0.000 0.805 308 S HN 0.222 nan 8.310 nan 0.000 0.501 309 V N -1.039 118.859 119.914 -0.026 0.000 3.046 309 V HA 0.704 4.824 4.120 0.000 0.000 0.316 309 V C -3.303 172.789 176.094 -0.002 0.000 1.104 309 V CA -3.026 59.269 62.300 -0.010 0.000 1.006 309 V CB 1.100 32.904 31.823 -0.032 0.000 1.058 309 V HN -0.215 nan 8.190 nan 0.000 0.440 310 P HA 0.277 nan 4.420 nan 0.000 0.269 310 P C 0.861 178.147 177.300 -0.024 0.000 1.209 310 P CA 0.749 63.845 63.100 -0.006 0.000 0.776 310 P CB 0.943 32.635 31.700 -0.013 0.000 0.876 311 A N 3.527 126.334 122.820 -0.022 0.000 1.882 311 A HA -0.274 4.046 4.320 0.000 0.000 0.220 311 A C 2.181 179.739 177.584 -0.043 0.000 1.253 311 A CA 3.000 55.020 52.037 -0.028 0.000 0.664 311 A CB -2.107 16.878 19.000 -0.025 0.000 0.838 311 A HN 0.530 nan 8.150 nan 0.000 0.460 312 V N -0.006 119.876 119.914 -0.053 0.000 2.428 312 V HA -0.202 3.918 4.120 0.000 0.000 0.255 312 V C 1.498 177.539 176.094 -0.088 0.000 1.080 312 V CA 2.876 65.131 62.300 -0.075 0.000 1.083 312 V CB -0.952 30.817 31.823 -0.090 0.000 0.665 312 V HN 1.058 nan 8.190 nan 0.000 0.461 313 S N 0.120 115.773 115.700 -0.078 0.000 2.438 313 S HA 0.550 5.020 4.470 0.000 0.000 0.227 313 S C 0.089 174.656 174.600 -0.056 0.000 1.265 313 S CA -0.794 57.354 58.200 -0.086 0.000 1.265 313 S CB -0.095 63.044 63.200 -0.103 0.000 0.987 313 S HN 0.711 nan 8.310 nan 0.000 0.502 314 R N 1.315 121.789 120.500 -0.044 0.000 2.787 314 R HA 0.502 4.842 4.340 0.000 0.000 0.271 314 R C -0.321 175.972 176.300 -0.012 0.000 0.993 314 R CA -0.991 55.095 56.100 -0.024 0.000 0.993 314 R CB 0.416 30.702 30.300 -0.023 0.000 1.155 314 R HN 0.264 nan 8.270 nan 0.000 0.486 315 N N 1.247 119.951 118.700 0.006 0.000 2.688 315 N HA -0.197 4.543 4.740 0.000 0.000 0.258 315 N C -0.974 174.559 175.510 0.039 0.000 1.016 315 N CA 0.922 53.984 53.050 0.019 0.000 0.747 315 N CB -0.882 37.605 38.487 -0.001 0.000 0.895 315 N HN 0.511 nan 8.380 nan 0.000 0.543 316 I N 0.857 121.472 120.570 0.076 0.000 2.310 316 I HA 0.034 4.204 4.170 0.000 0.000 0.287 316 I C 2.057 178.299 176.117 0.209 0.000 1.073 316 I CA -0.544 60.828 61.300 0.120 0.000 1.216 316 I CB 0.461 38.529 38.000 0.113 0.000 1.415 316 I HN 0.340 nan 8.210 nan 0.000 0.480 317 H N 5.138 124.241 119.070 0.054 0.000 2.365 317 H HA -0.310 4.246 4.556 0.000 0.000 0.279 317 H C 1.838 177.169 175.328 0.006 0.000 1.141 317 H CA 1.950 58.012 56.048 0.024 0.000 1.135 317 H CB 0.383 30.149 29.762 0.008 0.000 1.356 317 H HN 0.771 nan 8.280 nan 0.000 0.465 318 G N -2.760 106.039 108.800 -0.002 0.000 2.986 318 G HA2 0.003 3.964 3.960 0.000 0.000 0.213 318 G HA3 0.003 3.964 3.960 0.000 0.000 0.213 318 G C 0.514 175.168 174.900 -0.410 0.000 1.156 318 G CA 0.135 45.069 45.100 -0.277 0.000 0.763 318 G HN 0.439 nan 8.290 nan 0.000 0.547 319 W N 0.640 121.915 121.300 -0.042 0.000 3.614 319 W HA 0.248 4.908 4.660 0.000 0.000 0.229 319 W C 1.132 177.597 176.519 -0.090 0.000 0.916 319 W CA 0.919 58.227 57.345 -0.061 0.000 2.162 319 W CB -0.259 29.168 29.460 -0.055 0.000 1.061 319 W HN 0.017 nan 8.180 nan 0.000 0.704 320 T N -0.182 114.485 114.554 0.189 0.000 2.837 320 T HA 0.778 5.128 4.350 0.000 0.000 0.285 320 T C 0.000 174.725 174.700 0.042 0.000 0.984 320 T CA -0.192 61.946 62.100 0.062 0.000 1.049 320 T CB 1.841 70.731 68.868 0.036 0.000 0.947 320 T HN 0.158 nan 8.240 nan 0.000 0.472 321 G N 0.979 109.787 108.800 0.012 0.000 3.105 321 G HA2 0.465 4.425 3.960 0.000 0.000 0.277 321 G HA3 0.465 4.425 3.960 0.000 0.000 0.277 321 G C 0.283 175.187 174.900 0.005 0.000 1.375 321 G CA -0.989 44.120 45.100 0.015 0.000 0.962 321 G HN 0.681 nan 8.290 nan 0.000 0.541 322 R N -1.169 119.336 120.500 0.007 0.000 2.075 322 R HA 0.226 4.566 4.340 0.000 0.000 0.226 322 R C 1.206 177.508 176.300 0.003 0.000 1.114 322 R CA 1.255 57.357 56.100 0.003 0.000 0.972 322 R CB 0.041 30.343 30.300 0.003 0.000 0.869 322 R HN 0.438 nan 8.270 nan 0.000 0.437 323 A N 0.249 123.073 122.820 0.008 0.000 3.253 323 A HA 0.435 4.755 4.320 0.000 0.000 0.290 323 A C -0.020 177.575 177.584 0.018 0.000 0.950 323 A CA -0.429 51.614 52.037 0.011 0.000 0.986 323 A CB 0.673 19.680 19.000 0.013 0.000 1.104 323 A HN 0.379 nan 8.150 nan 0.000 0.481 324 G N 0.035 108.844 108.800 0.014 0.000 2.543 324 G HA2 0.438 4.398 3.960 0.000 0.000 0.267 324 G HA3 0.438 4.398 3.960 0.000 0.000 0.267 324 G C -0.234 174.693 174.900 0.044 0.000 1.406 324 G CA -0.672 44.445 45.100 0.028 0.000 1.048 324 G HN 0.469 nan 8.290 nan 0.000 0.548 325 N N -0.030 118.720 118.700 0.083 0.000 2.493 325 N HA 0.360 5.100 4.740 0.000 0.000 0.275 325 N C 0.162 175.711 175.510 0.064 0.000 1.186 325 N CA -0.371 52.759 53.050 0.134 0.000 0.978 325 N CB 0.977 39.643 38.487 0.298 0.000 1.184 325 N HN 0.673 nan 8.380 nan 0.000 0.487 326 Q N 0.054 119.878 119.800 0.040 0.000 2.221 326 Q HA 0.513 4.853 4.340 0.000 0.000 0.242 326 Q C -0.885 175.052 176.000 -0.105 0.000 0.940 326 Q CA -0.773 54.977 55.803 -0.088 0.000 0.896 326 Q CB 1.006 29.633 28.738 -0.184 0.000 1.226 326 Q HN 0.405 nan 8.270 nan 0.000 0.463 327 L N 2.036 123.167 121.223 -0.152 0.000 2.292 327 L HA 0.330 4.670 4.340 0.000 0.000 0.284 327 L C -0.657 176.100 176.870 -0.188 0.000 1.065 327 L CA -0.687 54.108 54.840 -0.075 0.000 0.806 327 L CB 0.500 42.500 42.059 -0.098 0.000 1.175 327 L HN 0.661 nan 8.230 nan 0.000 0.431 328 H N 1.588 120.673 119.070 0.025 0.000 2.623 328 H HA 0.434 4.990 4.556 0.000 0.000 0.299 328 H C 0.445 175.807 175.328 0.058 0.000 1.052 328 H CA -0.244 55.817 56.048 0.022 0.000 1.231 328 H CB 1.309 31.082 29.762 0.017 0.000 1.389 328 H HN 0.714 nan 8.280 nan 0.000 0.469 329 G N 2.205 111.059 108.800 0.090 0.000 2.477 329 G HA2 0.547 4.507 3.960 0.000 0.000 0.304 329 G HA3 0.547 4.507 3.960 0.000 0.000 0.304 329 G C -1.046 174.025 174.900 0.284 0.000 1.175 329 G CA -0.640 44.506 45.100 0.076 0.000 0.907 329 G HN 0.559 nan 8.290 nan 0.000 0.509 330 F N -1.813 118.165 119.950 0.046 0.000 2.703 330 F HA 0.565 5.092 4.527 0.000 0.000 0.308 330 F C -0.882 175.005 175.800 0.146 0.000 1.126 330 F CA -1.398 56.669 58.000 0.111 0.000 0.959 330 F CB 1.576 40.675 39.000 0.165 0.000 1.297 330 F HN 0.611 nan 8.300 nan 0.000 0.441 331 Q N 2.085 121.988 119.800 0.173 0.000 2.261 331 Q HA 0.465 4.805 4.340 0.000 0.000 0.252 331 Q C -0.059 176.087 176.000 0.244 0.000 0.915 331 Q CA -0.695 55.172 55.803 0.107 0.000 0.915 331 Q CB 2.114 30.957 28.738 0.176 0.000 1.204 331 Q HN 0.812 nan 8.270 nan 0.000 0.421 332 V N 3.921 123.937 119.914 0.170 0.000 2.295 332 V HA -0.252 3.868 4.120 0.000 0.000 0.246 332 V C 2.369 178.647 176.094 0.307 0.000 1.049 332 V CA 1.784 64.285 62.300 0.335 0.000 1.024 332 V CB -0.779 31.212 31.823 0.279 0.000 0.648 332 V HN 0.799 nan 8.190 nan 0.000 0.447 333 R N 0.718 121.363 120.500 0.242 0.000 2.082 333 R HA -0.193 4.147 4.340 0.000 0.000 0.234 333 R C 2.411 178.818 176.300 0.179 0.000 1.136 333 R CA 2.218 58.435 56.100 0.195 0.000 0.935 333 R CB -0.893 29.513 30.300 0.177 0.000 0.842 333 R HN 0.416 nan 8.270 nan 0.000 0.430 334 R N 0.457 121.071 120.500 0.191 0.000 2.103 334 R HA -0.150 4.190 4.340 0.000 0.000 0.242 334 R C 2.242 178.644 176.300 0.170 0.000 1.142 334 R CA 2.171 58.373 56.100 0.170 0.000 0.960 334 R CB -0.852 29.555 30.300 0.177 0.000 0.858 334 R HN 0.234 nan 8.270 nan 0.000 0.439 335 M N -0.333 119.403 119.600 0.226 0.000 2.106 335 M HA -0.139 4.341 4.480 0.000 0.000 0.259 335 M C 1.864 178.211 176.300 0.078 0.000 1.068 335 M CA 1.612 57.008 55.300 0.160 0.000 1.100 335 M CB -0.420 32.310 32.600 0.217 0.000 1.351 335 M HN 0.078 nan 8.290 nan 0.000 0.404 336 V N -0.341 119.616 119.914 0.072 0.000 2.317 336 V HA -0.388 3.732 4.120 0.000 0.000 0.251 336 V C 2.230 178.416 176.094 0.153 0.000 1.065 336 V CA 2.455 64.790 62.300 0.059 0.000 1.049 336 V CB -1.618 30.247 31.823 0.070 0.000 0.651 336 V HN 0.576 nan 8.190 nan 0.000 0.450 337 T N -1.021 113.608 114.554 0.124 0.000 2.737 337 T HA -0.138 4.212 4.350 0.000 0.000 0.265 337 T C 1.903 176.662 174.700 0.097 0.000 1.038 337 T CA 1.230 63.395 62.100 0.107 0.000 1.144 337 T CB -0.273 68.646 68.868 0.084 0.000 0.866 337 T HN 0.453 nan 8.240 nan 0.000 0.434 338 E N 0.729 120.988 120.200 0.097 0.000 2.130 338 E HA -0.143 4.207 4.350 0.000 0.000 0.196 338 E C 1.833 178.477 176.600 0.074 0.000 0.998 338 E CA 0.978 57.421 56.400 0.073 0.000 0.806 338 E CB -0.449 29.295 29.700 0.073 0.000 0.738 338 E HN 0.543 nan 8.360 nan 0.000 0.459 339 F N 1.065 120.982 119.950 -0.055 0.000 2.075 339 F HA -0.257 4.270 4.527 0.000 0.000 0.297 339 F C 2.467 178.242 175.800 -0.042 0.000 1.113 339 F CA 1.516 59.475 58.000 -0.068 0.000 1.218 339 F CB -0.617 38.318 39.000 -0.109 0.000 0.984 339 F HN 0.007 nan 8.300 nan 0.000 0.472 340 C N 0.774 120.059 119.300 -0.025 0.000 2.455 340 C HA -0.192 4.268 4.460 0.000 0.000 0.281 340 C C 2.501 177.397 174.990 -0.158 0.000 1.237 340 C CA 1.259 60.191 59.018 -0.144 0.000 1.726 340 C CB -1.265 26.492 27.740 0.028 0.000 2.068 340 C HN 0.526 nan 8.230 nan 0.000 0.466 341 D N 0.142 120.501 120.400 -0.067 0.000 2.204 341 D HA -0.201 4.439 4.640 0.000 0.000 0.189 341 D C 2.255 178.497 176.300 -0.096 0.000 1.006 341 D CA 1.491 55.456 54.000 -0.058 0.000 0.855 341 D CB -0.497 40.292 40.800 -0.018 0.000 0.946 341 D HN 0.423 nan 8.370 nan 0.000 0.448 342 R N -0.051 120.381 120.500 -0.113 0.000 2.097 342 R HA -0.148 4.192 4.340 0.000 0.000 0.236 342 R C 2.602 178.790 176.300 -0.186 0.000 1.135 342 R CA 1.237 57.264 56.100 -0.122 0.000 0.934 342 R CB -0.472 29.763 30.300 -0.107 0.000 0.846 342 R HN 0.224 nan 8.270 nan 0.000 0.431 343 L N -0.120 120.907 121.223 -0.327 0.000 2.012 343 L HA -0.213 4.127 4.340 0.000 0.000 0.210 343 L C 2.868 179.582 176.870 -0.259 0.000 1.073 343 L CA 1.513 56.115 54.840 -0.398 0.000 0.748 343 L CB -0.563 41.167 42.059 -0.549 0.000 0.891 343 L HN 0.305 nan 8.230 nan 0.000 0.431 344 R N 0.329 120.711 120.500 -0.197 0.000 2.105 344 R HA -0.178 4.162 4.340 0.000 0.000 0.239 344 R C 2.431 178.674 176.300 -0.095 0.000 1.135 344 R CA 1.446 57.471 56.100 -0.125 0.000 0.967 344 R CB -0.063 30.182 30.300 -0.091 0.000 0.861 344 R HN 0.329 nan 8.270 nan 0.000 0.442 345 R N -0.247 120.200 120.500 -0.089 0.000 2.148 345 R HA -0.092 4.248 4.340 0.000 0.000 0.227 345 R C 1.216 177.486 176.300 -0.050 0.000 1.103 345 R CA 1.528 57.594 56.100 -0.057 0.000 0.983 345 R CB -0.053 30.221 30.300 -0.042 0.000 0.874 345 R HN 0.241 nan 8.270 nan 0.000 0.451 346 D N -1.046 119.311 120.400 -0.070 0.000 2.347 346 D HA 0.054 4.694 4.640 0.000 0.000 0.213 346 D C 0.827 177.098 176.300 -0.048 0.000 0.985 346 D CA 0.967 54.944 54.000 -0.038 0.000 0.879 346 D CB 0.478 41.265 40.800 -0.022 0.000 0.919 346 D HN 0.392 nan 8.370 nan 0.000 0.526 347 G N 0.198 108.954 108.800 -0.074 0.000 2.137 347 G HA2 -0.278 3.682 3.960 0.000 0.000 0.237 347 G HA3 -0.278 3.682 3.960 0.000 0.000 0.237 347 G C 1.029 175.885 174.900 -0.073 0.000 1.002 347 G CA 0.555 45.618 45.100 -0.063 0.000 0.702 347 G HN 0.450 nan 8.290 nan 0.000 0.515 348 V N -3.204 116.638 119.914 -0.121 0.000 3.644 348 V HA 0.703 4.823 4.120 0.000 0.000 0.267 348 V C 0.892 176.918 176.094 -0.113 0.000 1.277 348 V CA 1.303 63.532 62.300 -0.120 0.000 1.096 348 V CB 0.326 32.034 31.823 -0.191 0.000 0.828 348 V HN 0.593 nan 8.190 nan 0.000 0.446 349 M N 2.462 121.989 119.600 -0.123 0.000 2.464 349 M HA 0.610 5.090 4.480 0.000 0.000 0.308 349 M C -0.008 176.251 176.300 -0.068 0.000 1.127 349 M CA -0.230 55.013 55.300 -0.095 0.000 0.913 349 M CB 2.346 34.869 32.600 -0.127 0.000 1.689 349 M HN 0.378 nan 8.290 nan 0.000 0.445 350 T N 0.285 114.813 114.554 -0.045 0.000 2.874 350 T HA 0.234 4.584 4.350 0.000 0.000 0.281 350 T C 0.555 175.238 174.700 -0.028 0.000 0.994 350 T CA -0.458 61.622 62.100 -0.033 0.000 1.015 350 T CB 1.367 70.222 68.868 -0.022 0.000 1.028 350 T HN 0.808 nan 8.240 nan 0.000 0.523 351 Q N 1.051 120.838 119.800 -0.022 0.000 2.084 351 Q HA 0.006 4.346 4.340 0.000 0.000 0.202 351 Q C 2.359 178.353 176.000 -0.009 0.000 0.978 351 Q CA 2.224 58.017 55.803 -0.016 0.000 0.844 351 Q CB -1.117 27.613 28.738 -0.012 0.000 0.898 351 Q HN 0.913 nan 8.270 nan 0.000 0.426 352 A N 0.223 123.038 122.820 -0.009 0.000 1.908 352 A HA -0.283 4.037 4.320 0.000 0.000 0.218 352 A C 2.045 179.627 177.584 -0.002 0.000 1.181 352 A CA 1.802 53.836 52.037 -0.005 0.000 0.627 352 A CB -0.671 18.326 19.000 -0.006 0.000 0.818 352 A HN 0.597 nan 8.150 nan 0.000 0.445 353 Q N -1.059 118.738 119.800 -0.005 0.000 2.061 353 Q HA -0.272 4.068 4.340 0.000 0.000 0.204 353 Q C 2.387 178.393 176.000 0.009 0.000 0.984 353 Q CA 1.789 57.592 55.803 -0.000 0.000 0.846 353 Q CB -0.233 28.501 28.738 -0.006 0.000 0.902 353 Q HN 0.853 nan 8.270 nan 0.000 0.421 354 Q N 0.619 120.421 119.800 0.003 0.000 2.014 354 Q HA -0.225 4.115 4.340 0.000 0.000 0.207 354 Q C 1.797 177.810 176.000 0.022 0.000 0.993 354 Q CA 1.569 57.381 55.803 0.015 0.000 0.850 354 Q CB 0.013 28.752 28.738 0.002 0.000 0.916 354 Q HN 0.370 nan 8.270 nan 0.000 0.417 355 N N 0.447 119.154 118.700 0.013 0.000 2.060 355 N HA -0.251 4.489 4.740 0.000 0.000 0.195 355 N C 1.701 177.221 175.510 0.016 0.000 1.028 355 N CA 1.599 54.657 53.050 0.014 0.000 0.861 355 N CB -0.456 38.036 38.487 0.008 0.000 1.029 355 N HN 0.392 nan 8.380 nan 0.000 0.428 356 Q N 0.233 120.041 119.800 0.013 0.000 2.135 356 Q HA -0.069 4.271 4.340 0.000 0.000 0.204 356 Q C 2.086 178.096 176.000 0.016 0.000 0.981 356 Q CA 1.036 56.846 55.803 0.011 0.000 0.856 356 Q CB 0.023 28.765 28.738 0.007 0.000 0.902 356 Q HN 0.403 nan 8.270 nan 0.000 0.425 357 I N 0.142 120.728 120.570 0.027 0.000 2.141 357 I HA -0.240 3.930 4.170 0.000 0.000 0.236 357 I C 2.192 178.333 176.117 0.040 0.000 1.071 357 I CA 1.024 62.346 61.300 0.037 0.000 1.345 357 I CB -0.374 37.666 38.000 0.065 0.000 1.066 357 I HN 0.203 nan 8.210 nan 0.000 0.406 358 E N 1.174 121.402 120.200 0.047 0.000 2.086 358 E HA -0.346 4.004 4.350 0.000 0.000 0.205 358 E C 2.262 178.885 176.600 0.038 0.000 1.027 358 E CA 1.723 58.152 56.400 0.048 0.000 0.830 358 E CB -0.362 29.365 29.700 0.044 0.000 0.751 358 E HN 0.545 nan 8.360 nan 0.000 0.456 359 A N 1.819 124.656 122.820 0.028 0.000 1.869 359 A HA -0.250 4.070 4.320 0.000 0.000 0.218 359 A C 2.263 179.860 177.584 0.021 0.000 1.203 359 A CA 1.865 53.914 52.037 0.021 0.000 0.638 359 A CB -1.028 17.980 19.000 0.013 0.000 0.831 359 A HN 0.336 nan 8.150 nan 0.000 0.450 360 L N -0.794 120.440 121.223 0.018 0.000 1.989 360 L HA -0.190 4.150 4.340 0.000 0.000 0.211 360 L C 2.810 179.698 176.870 0.030 0.000 1.071 360 L CA 1.952 56.801 54.840 0.015 0.000 0.749 360 L CB -0.537 41.527 42.059 0.007 0.000 0.890 360 L HN 0.426 nan 8.230 nan 0.000 0.431 361 A N -0.416 122.428 122.820 0.040 0.000 2.042 361 A HA -0.299 4.021 4.320 0.000 0.000 0.222 361 A C 1.833 179.457 177.584 0.067 0.000 1.167 361 A CA 2.239 54.312 52.037 0.060 0.000 0.649 361 A CB -0.746 18.294 19.000 0.067 0.000 0.809 361 A HN 0.612 nan 8.150 nan 0.000 0.457 362 D N -1.123 119.307 120.400 0.051 0.000 2.085 362 D HA -0.151 4.489 4.640 0.000 0.000 0.199 362 D C 2.096 178.421 176.300 0.042 0.000 0.981 362 D CA 1.508 55.534 54.000 0.044 0.000 0.834 362 D CB -0.583 40.235 40.800 0.030 0.000 0.992 362 D HN 0.676 nan 8.370 nan 0.000 0.457 363 Q N 0.302 120.123 119.800 0.034 0.000 2.173 363 Q HA -0.177 4.163 4.340 0.000 0.000 0.208 363 Q C 1.786 177.827 176.000 0.068 0.000 0.989 363 Q CA 1.819 57.642 55.803 0.035 0.000 0.872 363 Q CB -0.037 28.709 28.738 0.013 0.000 0.909 363 Q HN 0.155 nan 8.270 nan 0.000 0.420 364 T N 0.575 115.174 114.554 0.076 0.000 2.643 364 T HA -0.231 4.119 4.350 0.000 0.000 0.264 364 T C 1.656 176.458 174.700 0.170 0.000 1.045 364 T CA 1.565 63.742 62.100 0.128 0.000 1.155 364 T CB -0.298 68.637 68.868 0.112 0.000 0.863 364 T HN 0.449 nan 8.240 nan 0.000 0.420 365 Q N 0.353 120.226 119.800 0.121 0.000 2.045 365 Q HA -0.235 4.105 4.340 0.000 0.000 0.206 365 Q C 2.492 178.499 176.000 0.011 0.000 0.991 365 Q CA 1.514 57.375 55.803 0.096 0.000 0.851 365 Q CB -0.133 28.654 28.738 0.083 0.000 0.911 365 Q HN 0.348 nan 8.270 nan 0.000 0.418 366 Q N -0.308 119.494 119.800 0.002 0.000 2.096 366 Q HA -0.221 4.119 4.340 0.000 0.000 0.208 366 Q C 1.874 177.862 176.000 -0.021 0.000 0.993 366 Q CA 1.931 57.708 55.803 -0.043 0.000 0.862 366 Q CB -0.533 28.201 28.738 -0.006 0.000 0.915 366 Q HN 0.486 nan 8.270 nan 0.000 0.416 367 F N 1.300 121.207 119.950 -0.073 0.000 2.051 367 F HA -0.179 4.348 4.527 0.000 0.000 0.296 367 F C 2.191 177.939 175.800 -0.086 0.000 1.122 367 F CA 1.702 59.658 58.000 -0.073 0.000 1.201 367 F CB -0.253 38.726 39.000 -0.036 0.000 0.978 367 F HN -0.044 nan 8.300 nan 0.000 0.472 368 K N -0.088 120.232 120.400 -0.134 0.000 2.113 368 K HA -0.259 4.061 4.320 0.000 0.000 0.208 368 K C 2.356 178.821 176.600 -0.225 0.000 1.047 368 K CA 1.809 57.964 56.287 -0.219 0.000 0.928 368 K CB -0.275 32.279 32.500 0.091 0.000 0.716 368 K HN 0.310 nan 8.250 nan 0.000 0.446 369 R N 1.048 121.415 120.500 -0.222 0.000 2.055 369 R HA -0.127 4.213 4.340 0.000 0.000 0.228 369 R C 1.598 177.715 176.300 -0.305 0.000 1.143 369 R CA 1.806 57.712 56.100 -0.324 0.000 0.945 369 R CB -0.084 29.733 30.300 -0.805 0.000 0.841 369 R HN 0.073 nan 8.270 nan 0.000 0.429 370 D N 0.752 120.953 120.400 -0.332 0.000 2.170 370 D HA -0.218 4.422 4.640 0.000 0.000 0.193 370 D C 1.747 177.802 176.300 -0.408 0.000 1.004 370 D CA 1.280 55.098 54.000 -0.302 0.000 0.860 370 D CB -0.051 40.596 40.800 -0.255 0.000 0.931 370 D HN 0.168 nan 8.370 nan 0.000 0.448 371 K N 0.386 120.402 120.400 -0.639 0.000 1.984 371 K HA -0.027 4.293 4.320 0.000 0.000 0.209 371 K C 2.535 178.590 176.600 -0.907 0.000 1.046 371 K CA 0.321 55.980 56.287 -1.047 0.000 0.934 371 K CB -0.815 30.842 32.500 -1.404 0.000 0.717 371 K HN 0.237 nan 8.250 nan 0.000 0.438 372 L N 1.374 122.351 121.223 -0.410 0.000 2.013 372 L HA -0.232 4.108 4.340 0.000 0.000 0.212 372 L C 2.409 179.434 176.870 0.258 0.000 1.073 372 L CA 1.492 56.359 54.840 0.046 0.000 0.753 372 L CB -0.451 41.571 42.059 -0.063 0.000 0.890 372 L HN 0.288 nan 8.230 nan 0.000 0.432 373 E N 0.006 120.327 120.200 0.201 0.000 2.077 373 E HA -0.230 4.120 4.350 0.000 0.000 0.193 373 E C 2.307 178.971 176.600 0.106 0.000 0.989 373 E CA 1.195 57.760 56.400 0.275 0.000 0.800 373 E CB -0.202 29.586 29.700 0.147 0.000 0.746 373 E HN 0.533 nan 8.360 nan 0.000 0.452 374 A N 1.442 124.220 122.820 -0.070 0.000 1.877 374 A HA -0.173 4.147 4.320 0.000 0.000 0.216 374 A C 1.840 179.442 177.584 0.029 0.000 1.186 374 A CA 1.068 53.044 52.037 -0.102 0.000 0.620 374 A CB -0.841 17.992 19.000 -0.278 0.000 0.822 374 A HN 0.336 nan 8.150 nan 0.000 0.443 375 W N -0.398 120.936 121.300 0.056 0.000 2.388 375 W HA -0.012 4.648 4.660 0.000 0.000 0.294 375 W C 2.790 179.358 176.519 0.082 0.000 1.212 375 W CA 0.730 58.109 57.345 0.056 0.000 1.271 375 W CB -1.170 28.317 29.460 0.045 0.000 1.126 375 W HN 0.476 nan 8.180 nan 0.000 0.535 376 A N 0.525 123.552 122.820 0.345 0.000 1.883 376 A HA -0.237 4.083 4.320 0.000 0.000 0.217 376 A C 2.177 179.856 177.584 0.158 0.000 1.186 376 A CA 2.139 54.311 52.037 0.225 0.000 0.624 376 A CB -0.957 18.121 19.000 0.131 0.000 0.822 376 A HN 0.238 nan 8.150 nan 0.000 0.444 377 R N -0.265 120.311 120.500 0.127 0.000 2.082 377 R HA -0.170 4.170 4.340 0.000 0.000 0.234 377 R C 2.167 178.535 176.300 0.113 0.000 1.136 377 R CA 1.777 57.932 56.100 0.092 0.000 0.935 377 R CB -0.379 29.959 30.300 0.064 0.000 0.842 377 R HN 0.693 nan 8.270 nan 0.000 0.430 378 E N 0.249 120.532 120.200 0.138 0.000 2.136 378 E HA -0.259 4.091 4.350 0.000 0.000 0.202 378 E C 1.623 178.306 176.600 0.138 0.000 1.019 378 E CA 1.774 58.259 56.400 0.141 0.000 0.819 378 E CB -0.208 29.601 29.700 0.181 0.000 0.739 378 E HN 0.454 nan 8.360 nan 0.000 0.458 379 D N 0.804 121.292 120.400 0.146 0.000 2.078 379 D HA -0.139 4.501 4.640 0.000 0.000 0.193 379 D C 1.610 177.985 176.300 0.125 0.000 0.990 379 D CA 1.314 55.389 54.000 0.126 0.000 0.827 379 D CB -0.530 40.385 40.800 0.192 0.000 0.975 379 D HN 0.127 nan 8.370 nan 0.000 0.451 380 D N 0.352 120.823 120.400 0.117 0.000 2.133 380 D HA -0.152 4.488 4.640 0.000 0.000 0.195 380 D C 2.087 178.425 176.300 0.064 0.000 0.997 380 D CA 0.913 54.958 54.000 0.076 0.000 0.840 380 D CB -0.126 40.718 40.800 0.073 0.000 0.947 380 D HN 0.254 nan 8.370 nan 0.000 0.452 381 Q N -1.080 118.768 119.800 0.081 0.000 2.152 381 Q HA -0.238 4.102 4.340 0.000 0.000 0.206 381 Q C 1.895 177.938 176.000 0.071 0.000 0.985 381 Q CA 1.342 57.185 55.803 0.066 0.000 0.863 381 Q CB -0.183 28.601 28.738 0.077 0.000 0.904 381 Q HN 0.514 nan 8.270 nan 0.000 0.422 382 Y N 1.017 121.304 120.300 -0.022 0.000 2.153 382 Y HA -0.146 4.404 4.550 0.000 0.000 0.289 382 Y C 1.645 177.506 175.900 -0.066 0.000 1.127 382 Y CA 1.730 59.806 58.100 -0.040 0.000 1.131 382 Y CB -0.280 38.153 38.460 -0.044 0.000 0.995 382 Y HN 0.099 nan 8.280 nan 0.000 0.505 383 N N -0.212 118.527 118.700 0.064 0.000 2.192 383 N HA -0.247 4.493 4.740 0.000 0.000 0.188 383 N C 1.697 177.120 175.510 -0.144 0.000 1.013 383 N CA 1.368 54.374 53.050 -0.075 0.000 0.863 383 N CB -0.153 38.290 38.487 -0.074 0.000 0.990 383 N HN 0.580 nan 8.380 nan 0.000 0.430 384 Q N -0.139 119.598 119.800 -0.105 0.000 2.187 384 Q HA 0.049 4.389 4.340 0.000 0.000 0.199 384 Q C 1.938 177.858 176.000 -0.133 0.000 0.957 384 Q CA 0.990 56.735 55.803 -0.096 0.000 0.857 384 Q CB 0.151 28.857 28.738 -0.054 0.000 0.929 384 Q HN 0.386 nan 8.270 nan 0.000 0.453 385 A N 0.711 123.419 122.820 -0.186 0.000 2.030 385 A HA 0.014 4.334 4.320 0.000 0.000 0.215 385 A C 0.632 178.045 177.584 -0.285 0.000 1.164 385 A CA 0.435 52.349 52.037 -0.204 0.000 0.697 385 A CB 0.328 19.217 19.000 -0.185 0.000 0.827 385 A HN 0.195 nan 8.150 nan 0.000 0.457 386 N N 0.374 118.812 118.700 -0.436 0.000 2.844 386 N HA 0.174 4.914 4.740 0.000 0.000 0.268 386 N C -2.490 172.835 175.510 -0.307 0.000 1.574 386 N CA -0.963 51.822 53.050 -0.441 0.000 0.838 386 N CB 1.289 39.295 38.487 -0.801 0.000 1.177 386 N HN 0.246 nan 8.380 nan 0.000 0.495 387 P HA -0.049 nan 4.420 nan 0.000 0.228 387 P C 0.415 177.645 177.300 -0.116 0.000 1.151 387 P CA 0.918 63.934 63.100 -0.140 0.000 0.770 387 P CB 0.568 32.202 31.700 -0.109 0.000 0.786 388 N N -0.253 118.377 118.700 -0.116 0.000 2.325 388 N HA 0.011 4.751 4.740 0.000 0.000 0.182 388 N C 0.590 176.052 175.510 -0.079 0.000 1.088 388 N CA 0.609 53.605 53.050 -0.090 0.000 0.879 388 N CB 0.245 38.684 38.487 -0.080 0.000 0.983 388 N HN 0.215 nan 8.380 nan 0.000 0.471 389 S N -0.310 115.347 115.700 -0.071 0.000 2.740 389 S HA 0.112 4.582 4.470 0.000 0.000 0.244 389 S C 0.300 174.934 174.600 0.057 0.000 1.101 389 S CA -0.790 57.402 58.200 -0.013 0.000 1.123 389 S CB -0.408 62.812 63.200 0.034 0.000 1.012 389 S HN 0.122 nan 8.310 nan 0.000 0.491 390 T N 1.393 115.933 114.554 -0.024 0.000 2.906 390 T HA 0.484 4.834 4.350 0.000 0.000 0.320 390 T C -0.023 174.634 174.700 -0.072 0.000 1.088 390 T CA -0.160 61.913 62.100 -0.045 0.000 1.120 390 T CB 0.245 69.032 68.868 -0.134 0.000 1.000 390 T HN 0.768 nan 8.240 nan 0.000 0.550 391 M N -0.483 119.009 119.600 -0.181 0.000 3.644 391 M HA 0.811 5.291 4.480 0.000 0.000 0.311 391 M C -2.276 173.788 176.300 -0.394 0.000 1.411 391 M CA -1.470 53.716 55.300 -0.190 0.000 0.878 391 M CB 0.618 33.158 32.600 -0.100 0.000 1.848 391 M HN 0.439 nan 8.290 nan 0.000 0.502 392 F N 0.376 120.377 119.950 0.085 0.000 2.689 392 F HA 0.561 5.088 4.527 0.000 0.000 0.332 392 F C 0.627 176.491 175.800 0.107 0.000 1.209 392 F CA -0.611 57.453 58.000 0.105 0.000 1.028 392 F CB 2.056 41.173 39.000 0.195 0.000 1.291 392 F HN 0.703 nan 8.300 nan 0.000 0.500 393 R N 0.251 120.868 120.500 0.195 0.000 2.189 393 R HA 0.096 4.436 4.340 0.000 0.000 0.218 393 R C -0.161 176.190 176.300 0.084 0.000 1.074 393 R CA 1.009 57.144 56.100 0.058 0.000 0.991 393 R CB 0.059 30.306 30.300 -0.088 0.000 0.883 393 R HN 0.551 nan 8.270 nan 0.000 0.457 394 T N -0.314 114.281 114.554 0.068 0.000 2.933 394 T HA 0.171 4.521 4.350 0.000 0.000 0.305 394 T C -0.954 173.431 174.700 -0.526 0.000 1.092 394 T CA -0.994 61.023 62.100 -0.138 0.000 1.008 394 T CB 2.694 71.514 68.868 -0.080 0.000 1.102 394 T HN -0.063 nan 8.240 nan 0.000 0.469 395 K N 2.546 122.349 120.400 -0.995 0.000 2.491 395 K HA 0.109 4.429 4.320 0.000 0.000 0.279 395 K C -2.353 173.941 176.600 -0.509 0.000 1.026 395 K CA -0.893 54.699 56.287 -1.159 0.000 1.070 395 K CB -0.157 31.964 32.500 -0.631 0.000 0.887 395 K HN 0.189 nan 8.250 nan 0.000 0.481 396 P HA -0.004 nan 4.420 nan 0.000 0.265 396 P C -1.109 176.049 177.300 -0.237 0.000 1.193 396 P CA 0.223 63.014 63.100 -0.514 0.000 0.765 396 P CB 0.220 31.517 31.700 -0.671 0.000 0.823 397 F N -0.986 118.800 119.950 -0.273 0.000 2.629 397 F HA 0.817 5.344 4.527 0.000 0.000 0.316 397 F C -0.424 175.276 175.800 -0.166 0.000 1.081 397 F CA -1.087 56.764 58.000 -0.249 0.000 0.954 397 F CB 1.369 40.196 39.000 -0.289 0.000 1.337 397 F HN 0.257 nan 8.300 nan 0.000 0.474 398 T N -0.676 113.866 114.554 -0.020 0.000 2.908 398 T HA 0.305 4.655 4.350 0.000 0.000 0.290 398 T C 0.278 175.074 174.700 0.161 0.000 1.034 398 T CA -0.513 61.576 62.100 -0.018 0.000 1.010 398 T CB 1.521 70.359 68.868 -0.050 0.000 1.068 398 T HN 0.730 nan 8.240 nan 0.000 0.481 399 N N 1.725 120.549 118.700 0.206 0.000 2.133 399 N HA -0.153 4.587 4.740 0.000 0.000 0.193 399 N C 2.106 177.811 175.510 0.324 0.000 1.012 399 N CA 2.055 55.315 53.050 0.349 0.000 0.871 399 N CB -0.443 38.166 38.487 0.203 0.000 1.011 399 N HN 0.804 nan 8.380 nan 0.000 0.435 400 A N 0.511 123.438 122.820 0.178 0.000 1.902 400 A HA -0.207 4.113 4.320 0.000 0.000 0.217 400 A C 1.985 179.661 177.584 0.153 0.000 1.181 400 A CA 1.313 53.441 52.037 0.151 0.000 0.623 400 A CB -0.578 18.481 19.000 0.098 0.000 0.818 400 A HN 0.352 nan 8.150 nan 0.000 0.443 401 Q N -1.458 118.385 119.800 0.072 0.000 2.217 401 Q HA -0.270 4.070 4.340 0.000 0.000 0.209 401 Q C 1.666 177.651 176.000 -0.024 0.000 0.988 401 Q CA 1.835 57.630 55.803 -0.013 0.000 0.878 401 Q CB -0.312 28.311 28.738 -0.192 0.000 0.909 401 Q HN 0.939 nan 8.270 nan 0.000 0.424 402 W N 0.645 122.010 121.300 0.109 0.000 2.721 402 W HA 0.033 4.693 4.660 0.000 0.000 0.245 402 W C 1.383 177.950 176.519 0.080 0.000 1.276 402 W CA 0.076 57.468 57.345 0.079 0.000 1.342 402 W CB -0.168 29.330 29.460 0.063 0.000 1.135 402 W HN 0.058 nan 8.180 nan 0.000 0.654 403 G N 0.191 109.156 108.800 0.275 0.000 2.621 403 G HA2 0.209 4.169 3.960 0.000 0.000 0.271 403 G HA3 0.209 4.169 3.960 0.000 0.000 0.271 403 G C 0.620 175.623 174.900 0.172 0.000 1.236 403 G CA -0.612 44.609 45.100 0.202 0.000 0.958 403 G HN 0.025 nan 8.290 nan 0.000 0.512 404 R N 0.247 120.835 120.500 0.146 0.000 2.147 404 R HA 0.241 4.581 4.340 0.000 0.000 0.209 404 R C 1.372 177.748 176.300 0.125 0.000 1.129 404 R CA 0.774 56.957 56.100 0.139 0.000 0.914 404 R CB -0.938 29.436 30.300 0.123 0.000 0.771 404 R HN 1.023 nan 8.270 nan 0.000 0.474 405 G N 2.004 110.868 108.800 0.108 0.000 2.675 405 G HA2 -0.246 3.714 3.960 0.000 0.000 0.196 405 G HA3 -0.246 3.714 3.960 0.000 0.000 0.196 405 G C -0.096 174.856 174.900 0.087 0.000 0.679 405 G CA 0.181 45.334 45.100 0.089 0.000 0.886 405 G HN 0.628 nan 8.290 nan 0.000 0.320 406 N N -0.530 118.221 118.700 0.086 0.000 2.961 406 N HA -0.278 4.462 4.740 0.000 0.000 0.223 406 N C 1.836 177.431 175.510 0.143 0.000 0.866 406 N CA 2.431 55.538 53.050 0.096 0.000 1.030 406 N CB -1.645 36.881 38.487 0.065 0.000 1.037 406 N HN 0.926 nan 8.380 nan 0.000 0.608 407 T N -0.134 114.522 114.554 0.170 0.000 2.624 407 T HA -0.182 4.168 4.350 0.000 0.000 0.268 407 T C 1.941 176.743 174.700 0.171 0.000 1.041 407 T CA 2.207 64.448 62.100 0.234 0.000 1.159 407 T CB -0.749 68.261 68.868 0.236 0.000 0.863 407 T HN 0.609 nan 8.240 nan 0.000 0.434 408 G N 0.908 109.785 108.800 0.128 0.000 2.402 408 G HA2 0.025 3.985 3.960 0.000 0.000 0.216 408 G HA3 0.025 3.985 3.960 0.000 0.000 0.216 408 G C 1.870 176.821 174.900 0.085 0.000 1.162 408 G CA 0.899 46.056 45.100 0.096 0.000 0.777 408 G HN 0.616 nan 8.290 nan 0.000 0.539 409 A N 0.776 123.653 122.820 0.095 0.000 1.908 409 A HA -0.107 4.213 4.320 0.000 0.000 0.218 409 A C 2.641 180.291 177.584 0.111 0.000 1.181 409 A CA 2.943 55.038 52.037 0.097 0.000 0.627 409 A CB -1.107 17.954 19.000 0.102 0.000 0.818 409 A HN 0.599 nan 8.150 nan 0.000 0.445 410 T N -3.439 111.195 114.554 0.134 0.000 3.043 410 T HA -0.047 4.303 4.350 0.000 0.000 0.263 410 T C 1.966 176.664 174.700 -0.004 0.000 1.094 410 T CA 1.621 63.779 62.100 0.097 0.000 1.127 410 T CB -0.396 68.576 68.868 0.172 0.000 0.905 410 T HN 0.405 nan 8.240 nan 0.000 0.490 411 S N 1.129 116.846 115.700 0.029 0.000 2.400 411 S HA 0.038 4.508 4.470 0.000 0.000 0.232 411 S C 2.301 176.900 174.600 -0.001 0.000 1.025 411 S CA 1.275 59.480 58.200 0.008 0.000 0.993 411 S CB -0.787 62.436 63.200 0.039 0.000 0.808 411 S HN 0.769 nan 8.310 nan 0.000 0.478 412 A N 0.665 123.489 122.820 0.007 0.000 2.030 412 A HA 0.576 4.896 4.320 0.000 0.000 0.215 412 A C 2.401 179.969 177.584 -0.026 0.000 1.164 412 A CA 1.122 53.160 52.037 0.001 0.000 0.697 412 A CB -1.101 17.909 19.000 0.018 0.000 0.827 412 A HN 0.723 nan 8.150 nan 0.000 0.457 413 A N 0.481 123.268 122.820 -0.055 0.000 1.908 413 A HA -0.138 4.182 4.320 0.000 0.000 0.218 413 A C 2.075 179.562 177.584 -0.163 0.000 1.181 413 A CA 1.663 53.620 52.037 -0.133 0.000 0.627 413 A CB -0.590 18.231 19.000 -0.298 0.000 0.818 413 A HN 0.496 nan 8.150 nan 0.000 0.445 414 I N -0.437 120.040 120.570 -0.155 0.000 2.163 414 I HA -0.232 3.938 4.170 0.000 0.000 0.240 414 I C 2.895 178.978 176.117 -0.057 0.000 1.081 414 I CA 0.997 62.220 61.300 -0.128 0.000 1.353 414 I CB -0.407 37.536 38.000 -0.095 0.000 1.054 414 I HN 0.338 nan 8.210 nan 0.000 0.407 415 A N 0.711 123.516 122.820 -0.026 0.000 2.139 415 A HA -0.141 4.179 4.320 0.000 0.000 0.221 415 A C 2.320 179.905 177.584 0.002 0.000 1.159 415 A CA 1.753 53.792 52.037 0.004 0.000 0.662 415 A CB -0.638 18.369 19.000 0.012 0.000 0.796 415 A HN 0.483 nan 8.150 nan 0.000 0.463 416 A N -0.812 121.997 122.820 -0.018 0.000 2.169 416 A HA 0.296 4.616 4.320 0.000 0.000 0.212 416 A C 1.846 179.425 177.584 -0.009 0.000 1.153 416 A CA 0.588 52.618 52.037 -0.011 0.000 0.756 416 A CB -0.388 18.602 19.000 -0.018 0.000 0.813 416 A HN 0.449 nan 8.150 nan 0.000 0.471 417 L N -0.182 121.030 121.223 -0.019 0.000 2.191 417 L HA -0.060 4.280 4.340 0.000 0.000 0.212 417 L C 1.102 177.991 176.870 0.032 0.000 1.103 417 L CA 0.560 55.393 54.840 -0.012 0.000 0.769 417 L CB -0.492 41.544 42.059 -0.039 0.000 0.908 417 L HN 0.351 nan 8.230 nan 0.000 0.438 418 I N 0.000 120.599 120.570 0.049 0.000 2.984 418 I HA 0.000 4.170 4.170 0.000 0.000 0.288 418 I CA 0.000 61.343 61.300 0.072 0.000 1.566 418 I CB 0.000 38.047 38.000 0.079 0.000 1.214 418 I HN 0.000 nan 8.210 nan 0.000 0.494