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 2wjx_1_B DATA FIRST_RESID 25 DATA SEQUENCE NSIQIGGLFP RGADQEYSAF RVGMVQFSTS EFRLTPHIDN LEVANSFAVT DATA SEQUENCE NAFcSQFSRG VYAIFGFYDK KSVNTITSFC GTLHVSFITP SFPTDGTHPF DATA SEQUENCE VIQMRPDLKG ALLSLIEYYQ WDKFAYLYDS DRGLSTLQAV LDSAAEKKWQ DATA SEQUENCE VTAINVGNIN NDKKDEMYRS LFQDLELKKE RRVILDCERD KVNDIVDQVI DATA SEQUENCE XXXXXVKGYH YIIANLGFTD GDLLKIQFGG ANVSGFQIVD YDDSLVSKFI DATA SEQUENCE ERWSTLEEKE YPGAHTTTIK YTSALTYDAV QVMTEAFRNL RKQRIEIXXX DATA SEQUENCE XXXGDcLANP AVPWGQGVEI ERALKQVQVE GLSGNIKFDQ NGKRINYTIN DATA SEQUENCE IMELKTNGPR KIGYWSEVDK MVVT 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 25 N HA 0.000 nan 4.740 nan 0.000 0.220 25 N C 0.000 175.599 175.510 0.149 0.000 1.280 25 N CA 0.000 53.106 53.050 0.094 0.000 0.885 25 N CB 0.000 38.613 38.487 0.209 0.000 1.341 26 S N 0.324 116.077 115.700 0.088 0.000 2.562 26 S HA 0.393 4.863 4.470 -0.000 0.000 0.281 26 S C 0.309 174.966 174.600 0.095 0.000 1.333 26 S CA -0.429 57.818 58.200 0.077 0.000 1.052 26 S CB 0.835 64.057 63.200 0.036 0.000 0.884 26 S HN 0.290 nan 8.310 nan 0.000 0.506 27 I N 3.061 123.661 120.570 0.050 0.000 2.312 27 I HA 0.219 4.389 4.170 -0.000 0.000 0.290 27 I C 0.170 176.270 176.117 -0.027 0.000 1.008 27 I CA -0.479 60.835 61.300 0.023 0.000 1.226 27 I CB 1.014 38.843 38.000 -0.285 0.000 1.371 27 I HN 0.698 nan 8.210 nan 0.000 0.468 28 Q N 6.745 126.488 119.800 -0.096 0.000 2.293 28 Q HA 0.394 4.734 4.340 -0.000 0.000 0.263 28 Q C -0.288 175.702 176.000 -0.016 0.000 1.002 28 Q CA -0.237 55.528 55.803 -0.064 0.000 0.910 28 Q CB 1.491 30.122 28.738 -0.179 0.000 1.185 28 Q HN 0.631 nan 8.270 nan 0.000 0.401 29 I N -1.977 118.667 120.570 0.125 0.000 2.934 29 I HA 0.820 4.990 4.170 -0.000 0.000 0.306 29 I C 0.045 176.319 176.117 0.262 0.000 1.110 29 I CA -0.978 60.441 61.300 0.199 0.000 1.019 29 I CB 2.132 40.285 38.000 0.255 0.000 1.227 29 I HN 0.377 nan 8.210 nan 0.000 0.434 30 G N 1.021 109.952 108.800 0.218 0.000 2.412 30 G HA2 0.667 4.626 3.960 -0.000 0.000 0.318 30 G HA3 0.667 4.626 3.960 -0.000 0.000 0.318 30 G C -0.658 174.378 174.900 0.227 0.000 1.146 30 G CA -0.749 44.471 45.100 0.200 0.000 0.882 30 G HN 1.100 nan 8.290 nan 0.000 0.501 31 G N -0.206 108.726 108.800 0.220 0.000 2.683 31 G HA2 0.495 4.455 3.960 -0.000 0.000 0.299 31 G HA3 0.495 4.455 3.960 -0.000 0.000 0.299 31 G C -1.352 173.670 174.900 0.205 0.000 1.432 31 G CA -0.419 44.821 45.100 0.234 0.000 0.978 31 G HN 0.451 nan 8.290 nan 0.000 0.513 32 L N 2.733 123.975 121.223 0.031 0.000 2.301 32 L HA 0.540 4.880 4.340 -0.000 0.000 0.278 32 L C -0.847 176.025 176.870 0.003 0.000 1.022 32 L CA -0.631 54.257 54.840 0.080 0.000 0.854 32 L CB 0.452 42.592 42.059 0.135 0.000 1.226 32 L HN 0.408 nan 8.230 nan 0.000 0.429 33 F N 4.516 124.491 119.950 0.042 0.000 2.443 33 F HA 0.542 5.069 4.527 -0.000 0.000 0.335 33 F C -1.791 173.940 175.800 -0.114 0.000 1.104 33 F CA -2.204 55.773 58.000 -0.038 0.000 1.013 33 F CB 1.384 40.309 39.000 -0.124 0.000 1.136 33 F HN 0.338 nan 8.300 nan 0.000 0.470 34 P HA 0.068 nan 4.420 nan 0.000 0.268 34 P C -0.633 176.649 177.300 -0.030 0.000 1.205 34 P CA -0.235 62.817 63.100 -0.080 0.000 0.771 34 P CB 0.461 32.041 31.700 -0.200 0.000 0.858 35 R N 2.132 122.626 120.500 -0.009 0.000 2.585 35 R HA 0.240 4.580 4.340 -0.000 0.000 0.275 35 R C 1.368 177.661 176.300 -0.012 0.000 1.018 35 R CA 1.018 57.113 56.100 -0.009 0.000 1.072 35 R CB -0.687 29.613 30.300 0.001 0.000 0.953 35 R HN 0.911 nan 8.270 nan 0.000 0.419 36 G N 1.216 110.011 108.800 -0.008 0.000 2.179 36 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.260 36 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.260 36 G C 0.402 175.311 174.900 0.016 0.000 0.977 36 G CA 0.116 45.220 45.100 0.006 0.000 0.641 36 G HN 0.781 nan 8.290 nan 0.000 0.533 37 A N 0.499 123.323 122.820 0.006 0.000 3.074 37 A HA 0.503 4.823 4.320 -0.000 0.000 0.251 37 A C 1.491 179.156 177.584 0.134 0.000 1.695 37 A CA 0.962 53.016 52.037 0.029 0.000 1.343 37 A CB -0.205 18.754 19.000 -0.069 0.000 1.078 37 A HN 0.294 nan 8.150 nan 0.000 0.644 38 D N -0.025 120.450 120.400 0.125 0.000 2.097 38 D HA -0.199 4.441 4.640 -0.000 0.000 0.195 38 D C 1.849 178.298 176.300 0.248 0.000 0.989 38 D CA 1.534 55.634 54.000 0.167 0.000 0.827 38 D CB -0.083 40.789 40.800 0.120 0.000 0.966 38 D HN 0.747 nan 8.370 nan 0.000 0.456 39 Q N 0.328 120.282 119.800 0.256 0.000 2.119 39 Q HA -0.175 4.165 4.340 -0.000 0.000 0.201 39 Q C 1.684 177.943 176.000 0.432 0.000 0.972 39 Q CA 1.184 57.205 55.803 0.364 0.000 0.847 39 Q CB 0.173 29.125 28.738 0.356 0.000 0.903 39 Q HN 0.141 nan 8.270 nan 0.000 0.433 40 E N -0.379 120.055 120.200 0.391 0.000 2.077 40 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 40 E C 1.527 178.517 176.600 0.649 0.000 0.989 40 E CA 1.275 57.987 56.400 0.520 0.000 0.800 40 E CB -0.352 29.683 29.700 0.558 0.000 0.746 40 E HN 0.400 nan 8.360 nan 0.000 0.452 41 Y N 1.073 121.565 120.300 0.320 0.000 2.242 41 Y HA -0.163 4.387 4.550 -0.000 0.000 0.291 41 Y C 2.215 178.275 175.900 0.266 0.000 1.137 41 Y CA 1.275 59.392 58.100 0.028 0.000 1.181 41 Y CB -0.364 37.870 38.460 -0.377 0.000 0.989 41 Y HN -0.063 nan 8.280 nan 0.000 0.527 42 S N 0.216 116.072 115.700 0.260 0.000 2.370 42 S HA -0.221 4.249 4.470 -0.000 0.000 0.226 42 S C 2.301 177.194 174.600 0.488 0.000 1.033 42 S CA 1.203 59.607 58.200 0.341 0.000 1.011 42 S CB -0.808 62.636 63.200 0.405 0.000 0.852 42 S HN 0.610 nan 8.310 nan 0.000 0.457 43 A N 0.721 123.890 122.820 0.582 0.000 1.930 43 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 43 A C 1.870 179.734 177.584 0.468 0.000 1.175 43 A CA 1.219 53.569 52.037 0.522 0.000 0.627 43 A CB -0.814 18.374 19.000 0.313 0.000 0.815 43 A HN 0.488 nan 8.150 nan 0.000 0.443 44 F N 0.740 120.848 119.950 0.264 0.000 2.095 44 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 44 F C 2.394 178.253 175.800 0.099 0.000 1.104 44 F CA 2.131 60.226 58.000 0.158 0.000 1.232 44 F CB -0.198 38.964 39.000 0.270 0.000 0.987 44 F HN 0.124 nan 8.300 nan 0.000 0.475 45 R N -0.405 120.178 120.500 0.139 0.000 2.092 45 R HA -0.113 4.227 4.340 -0.000 0.000 0.231 45 R C 2.117 178.493 176.300 0.127 0.000 1.119 45 R CA 1.513 57.645 56.100 0.052 0.000 0.970 45 R CB -0.757 29.549 30.300 0.010 0.000 0.864 45 R HN 0.239 nan 8.270 nan 0.000 0.440 46 V N 0.224 120.265 119.914 0.212 0.000 2.407 46 V HA -0.159 3.961 4.120 -0.000 0.000 0.248 46 V C 2.330 178.563 176.094 0.232 0.000 1.055 46 V CA 2.081 64.484 62.300 0.171 0.000 1.049 46 V CB -0.883 31.072 31.823 0.220 0.000 0.662 46 V HN 0.559 nan 8.190 nan 0.000 0.455 47 G N -0.731 108.243 108.800 0.290 0.000 2.418 47 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 47 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 47 G C 1.623 176.514 174.900 -0.015 0.000 1.158 47 G CA 1.006 46.152 45.100 0.077 0.000 0.771 47 G HN 0.407 nan 8.290 nan 0.000 0.545 48 M N 0.007 119.538 119.600 -0.115 0.000 2.159 48 M HA -0.057 4.423 4.480 -0.000 0.000 0.263 48 M C 2.668 178.945 176.300 -0.038 0.000 1.063 48 M CA 0.850 56.083 55.300 -0.112 0.000 1.110 48 M CB -0.218 32.270 32.600 -0.186 0.000 1.374 48 M HN 0.137 nan 8.290 nan 0.000 0.411 49 V N 0.024 119.923 119.914 -0.025 0.000 2.307 49 V HA -0.266 3.854 4.120 -0.000 0.000 0.245 49 V C 2.273 178.321 176.094 -0.077 0.000 1.045 49 V CA 2.042 64.328 62.300 -0.022 0.000 1.024 49 V CB -0.717 31.110 31.823 0.007 0.000 0.651 49 V HN 0.455 nan 8.190 nan 0.000 0.449 50 Q N -0.052 119.645 119.800 -0.173 0.000 2.119 50 Q HA -0.126 4.214 4.340 -0.000 0.000 0.201 50 Q C 1.558 177.287 176.000 -0.453 0.000 0.972 50 Q CA 2.108 57.681 55.803 -0.383 0.000 0.847 50 Q CB -0.195 28.176 28.738 -0.613 0.000 0.903 50 Q HN 0.612 nan 8.270 nan 0.000 0.433 51 F N -0.069 119.855 119.950 -0.044 0.000 2.695 51 F HA 0.319 4.846 4.527 -0.000 0.000 0.303 51 F C 0.733 176.524 175.800 -0.016 0.000 1.091 51 F CA -0.053 57.916 58.000 -0.052 0.000 1.300 51 F CB 0.007 38.935 39.000 -0.121 0.000 1.071 51 F HN -0.042 nan 8.300 nan 0.000 0.578 52 S N 0.001 115.766 115.700 0.108 0.000 2.601 52 S HA 0.530 5.000 4.470 -0.000 0.000 0.271 52 S C 0.274 174.928 174.600 0.089 0.000 1.305 52 S CA -0.211 58.045 58.200 0.094 0.000 1.022 52 S CB 1.389 64.618 63.200 0.050 0.000 0.940 52 S HN 0.227 nan 8.310 nan 0.000 0.525 53 T N -1.346 113.275 114.554 0.112 0.000 2.919 53 T HA 0.502 4.852 4.350 -0.000 0.000 0.282 53 T C 1.435 176.161 174.700 0.044 0.000 1.020 53 T CA -0.167 61.991 62.100 0.097 0.000 0.994 53 T CB 0.829 69.797 68.868 0.167 0.000 1.180 53 T HN 0.900 nan 8.240 nan 0.000 0.566 54 S N -0.465 115.243 115.700 0.014 0.000 2.368 54 S HA -0.149 4.321 4.470 -0.000 0.000 0.225 54 S C 1.789 176.328 174.600 -0.101 0.000 1.030 54 S CA 1.345 59.526 58.200 -0.032 0.000 0.999 54 S CB -0.726 62.455 63.200 -0.031 0.000 0.844 54 S HN 0.851 nan 8.310 nan 0.000 0.459 55 E N -0.294 119.793 120.200 -0.187 0.000 2.166 55 E HA 0.188 4.538 4.350 -0.000 0.000 0.192 55 E C -0.715 175.487 176.600 -0.664 0.000 0.967 55 E CA 0.157 56.257 56.400 -0.500 0.000 0.840 55 E CB 0.235 29.477 29.700 -0.763 0.000 0.795 55 E HN 0.559 nan 8.360 nan 0.000 0.470 56 F N 0.529 120.493 119.950 0.024 0.000 2.482 56 F HA 0.490 5.017 4.527 -0.000 0.000 0.331 56 F C 0.051 175.863 175.800 0.019 0.000 1.115 56 F CA -0.867 57.147 58.000 0.024 0.000 0.955 56 F CB 1.766 40.787 39.000 0.036 0.000 1.136 56 F HN -0.195 nan 8.300 nan 0.000 0.452 57 R N 3.731 124.333 120.500 0.171 0.000 2.626 57 R HA 0.609 4.949 4.340 -0.000 0.000 0.274 57 R C -2.113 174.221 176.300 0.056 0.000 1.031 57 R CA -0.706 55.446 56.100 0.087 0.000 0.898 57 R CB 1.581 31.905 30.300 0.040 0.000 1.222 57 R HN 0.787 nan 8.270 nan 0.000 0.455 58 L N 2.979 124.221 121.223 0.032 0.000 2.349 58 L HA 0.330 4.670 4.340 -0.000 0.000 0.275 58 L C -0.160 176.711 176.870 0.001 0.000 1.115 58 L CA -0.262 54.582 54.840 0.007 0.000 0.820 58 L CB 1.717 43.785 42.059 0.015 0.000 1.135 58 L HN 0.701 nan 8.230 nan 0.000 0.445 59 T N 4.059 118.603 114.554 -0.017 0.000 2.947 59 T HA 0.349 4.699 4.350 -0.000 0.000 0.337 59 T C -2.469 172.131 174.700 -0.167 0.000 1.139 59 T CA -1.282 60.769 62.100 -0.081 0.000 0.992 59 T CB 1.150 69.964 68.868 -0.090 0.000 1.043 59 T HN 0.293 nan 8.240 nan 0.000 0.498 60 P HA 0.433 nan 4.420 nan 0.000 0.286 60 P C -0.964 176.187 177.300 -0.247 0.000 1.261 60 P CA -0.722 62.394 63.100 0.026 0.000 0.821 60 P CB 0.545 32.467 31.700 0.371 0.000 1.013 61 H N 1.848 120.995 119.070 0.128 0.000 2.638 61 H HA 0.381 4.937 4.556 -0.000 0.000 0.317 61 H C -0.089 175.294 175.328 0.091 0.000 1.006 61 H CA -0.571 55.524 56.048 0.079 0.000 1.222 61 H CB 0.453 30.232 29.762 0.027 0.000 1.419 61 H HN 0.199 nan 8.280 nan 0.000 0.489 62 I N 3.122 123.779 120.570 0.145 0.000 2.353 62 I HA 0.188 4.358 4.170 -0.000 0.000 0.293 62 I C -0.098 176.057 176.117 0.064 0.000 0.992 62 I CA -0.533 60.821 61.300 0.090 0.000 1.268 62 I CB 1.206 39.169 38.000 -0.062 0.000 1.387 62 I HN 0.587 nan 8.210 nan 0.000 0.478 63 D N 5.649 126.104 120.400 0.093 0.000 2.391 63 D HA 0.309 4.949 4.640 -0.000 0.000 0.245 63 D C -0.397 175.947 176.300 0.072 0.000 1.069 63 D CA -0.402 53.638 54.000 0.066 0.000 0.831 63 D CB 1.551 42.396 40.800 0.075 0.000 1.204 63 D HN 0.328 nan 8.370 nan 0.000 0.503 64 N N 2.586 121.299 118.700 0.022 0.000 2.419 64 N HA 0.504 5.244 4.740 -0.000 0.000 0.277 64 N C -0.194 175.336 175.510 0.032 0.000 1.006 64 N CA -0.338 52.724 53.050 0.020 0.000 0.923 64 N CB 2.075 40.535 38.487 -0.045 0.000 1.140 64 N HN 0.450 nan 8.380 nan 0.000 0.488 65 L N -1.451 119.800 121.223 0.047 0.000 2.600 65 L HA 0.648 4.988 4.340 -0.000 0.000 0.257 65 L C -0.532 176.366 176.870 0.047 0.000 1.048 65 L CA -1.131 53.739 54.840 0.049 0.000 0.869 65 L CB 1.896 43.992 42.059 0.062 0.000 1.482 65 L HN 0.122 nan 8.230 nan 0.000 0.408 66 E N 0.951 121.183 120.200 0.052 0.000 2.070 66 E HA 0.266 4.616 4.350 -0.000 0.000 0.282 66 E C 0.586 177.225 176.600 0.066 0.000 1.104 66 E CA -0.167 56.264 56.400 0.052 0.000 0.876 66 E CB 1.179 30.910 29.700 0.050 0.000 1.055 66 E HN 0.593 nan 8.360 nan 0.000 0.401 67 V N 2.465 122.421 119.914 0.071 0.000 3.141 67 V HA -0.004 4.116 4.120 -0.000 0.000 0.265 67 V C 1.669 177.825 176.094 0.104 0.000 1.126 67 V CA 1.476 63.834 62.300 0.098 0.000 1.141 67 V CB -0.589 31.310 31.823 0.125 0.000 0.743 67 V HN 0.582 nan 8.190 nan 0.000 0.492 68 A N 0.851 123.726 122.820 0.091 0.000 2.206 68 A HA 0.060 4.380 4.320 -0.000 0.000 0.211 68 A C 1.343 178.972 177.584 0.075 0.000 1.158 68 A CA 0.783 52.873 52.037 0.088 0.000 0.761 68 A CB -0.633 18.413 19.000 0.076 0.000 0.801 68 A HN 0.586 nan 8.150 nan 0.000 0.473 69 N N 0.176 118.921 118.700 0.076 0.000 2.527 69 N HA 0.215 4.954 4.740 -0.000 0.000 0.236 69 N C 0.388 175.950 175.510 0.087 0.000 0.999 69 N CA 0.108 53.209 53.050 0.084 0.000 0.935 69 N CB 0.975 39.519 38.487 0.094 0.000 1.132 69 N HN 0.051 nan 8.380 nan 0.000 0.511 70 S N 2.738 118.483 115.700 0.076 0.000 2.399 70 S HA -0.114 4.356 4.470 -0.000 0.000 0.231 70 S C 1.416 176.038 174.600 0.036 0.000 1.022 70 S CA 0.590 58.810 58.200 0.035 0.000 0.983 70 S CB -0.321 62.895 63.200 0.028 0.000 0.803 70 S HN 0.698 nan 8.310 nan 0.000 0.480 71 F N 2.533 122.465 119.950 -0.030 0.000 2.095 71 F HA -0.175 4.352 4.527 -0.000 0.000 0.298 71 F C 2.328 178.107 175.800 -0.036 0.000 1.104 71 F CA 1.280 59.260 58.000 -0.032 0.000 1.232 71 F CB -0.625 38.367 39.000 -0.013 0.000 0.987 71 F HN 0.188 nan 8.300 nan 0.000 0.475 72 A N -0.216 122.725 122.820 0.201 0.000 1.902 72 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 72 A C 2.264 179.833 177.584 -0.025 0.000 1.181 72 A CA 1.950 54.049 52.037 0.103 0.000 0.623 72 A CB -1.373 17.712 19.000 0.141 0.000 0.818 72 A HN 0.293 nan 8.150 nan 0.000 0.443 73 V N -0.285 119.612 119.914 -0.029 0.000 2.358 73 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 73 V C 2.731 178.730 176.094 -0.158 0.000 1.047 73 V CA 2.420 64.690 62.300 -0.051 0.000 1.035 73 V CB -1.236 30.562 31.823 -0.041 0.000 0.658 73 V HN 0.607 nan 8.190 nan 0.000 0.452 74 T N -0.009 114.365 114.554 -0.300 0.000 2.746 74 T HA -0.181 4.168 4.350 -0.000 0.000 0.267 74 T C 1.839 176.318 174.700 -0.369 0.000 1.039 74 T CA 1.635 63.428 62.100 -0.512 0.000 1.142 74 T CB -0.394 68.148 68.868 -0.544 0.000 0.866 74 T HN 0.488 nan 8.240 nan 0.000 0.444 75 N N 0.965 119.446 118.700 -0.366 0.000 2.120 75 N HA -0.067 4.673 4.740 -0.000 0.000 0.188 75 N C 2.215 177.661 175.510 -0.106 0.000 1.024 75 N CA 1.265 54.150 53.050 -0.275 0.000 0.852 75 N CB -0.186 38.102 38.487 -0.332 0.000 1.003 75 N HN 0.381 nan 8.380 nan 0.000 0.424 76 A N 0.889 123.674 122.820 -0.057 0.000 1.898 76 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 76 A C 2.010 179.620 177.584 0.043 0.000 1.181 76 A CA 0.834 52.877 52.037 0.010 0.000 0.620 76 A CB -0.913 18.113 19.000 0.044 0.000 0.819 76 A HN 0.341 nan 8.150 nan 0.000 0.442 77 F N 0.336 120.222 119.950 -0.105 0.000 2.102 77 F HA -0.257 4.270 4.527 -0.000 0.000 0.298 77 F C 2.433 178.213 175.800 -0.033 0.000 1.105 77 F CA 1.965 59.919 58.000 -0.077 0.000 1.239 77 F CB -0.329 38.537 39.000 -0.223 0.000 0.991 77 F HN 0.300 nan 8.300 nan 0.000 0.474 78 c N -0.752 117.971 118.600 0.204 0.000 2.440 78 c HA -0.133 4.437 4.570 -0.000 0.000 0.278 78 c C 3.169 177.328 174.090 0.115 0.000 1.295 78 c CA 1.381 57.828 56.329 0.198 0.000 1.738 78 c CB -1.264 41.301 42.510 0.092 0.000 1.987 78 c HN 0.662 nan 8.230 nan 0.000 0.492 79 S N -0.068 115.649 115.700 0.028 0.000 2.368 79 S HA -0.188 4.282 4.470 -0.000 0.000 0.225 79 S C 2.030 176.596 174.600 -0.056 0.000 1.030 79 S CA 1.464 59.656 58.200 -0.013 0.000 0.999 79 S CB -0.251 62.936 63.200 -0.022 0.000 0.844 79 S HN 0.616 nan 8.310 nan 0.000 0.459 80 Q N -0.243 119.513 119.800 -0.073 0.000 2.079 80 Q HA -0.081 4.259 4.340 -0.000 0.000 0.200 80 Q C 1.895 177.804 176.000 -0.152 0.000 0.974 80 Q CA 1.228 56.952 55.803 -0.132 0.000 0.840 80 Q CB -0.690 27.959 28.738 -0.148 0.000 0.898 80 Q HN 0.700 nan 8.270 nan 0.000 0.430 81 F N 2.120 121.902 119.950 -0.280 0.000 2.126 81 F HA -0.238 4.289 4.527 -0.000 0.000 0.299 81 F C 2.545 178.234 175.800 -0.185 0.000 1.096 81 F CA 1.834 59.696 58.000 -0.231 0.000 1.255 81 F CB -0.381 38.559 39.000 -0.100 0.000 0.997 81 F HN 0.114 nan 8.300 nan 0.000 0.479 82 S N -0.084 115.542 115.700 -0.122 0.000 2.428 82 S HA -0.123 4.347 4.470 -0.000 0.000 0.230 82 S C 2.171 176.609 174.600 -0.268 0.000 1.014 82 S CA 0.609 58.686 58.200 -0.204 0.000 0.957 82 S CB -0.623 62.542 63.200 -0.058 0.000 0.784 82 S HN 0.471 nan 8.310 nan 0.000 0.499 83 R N 1.040 121.379 120.500 -0.268 0.000 2.092 83 R HA 0.080 4.420 4.340 -0.000 0.000 0.231 83 R C 1.430 177.503 176.300 -0.379 0.000 1.119 83 R CA 0.885 56.796 56.100 -0.315 0.000 0.970 83 R CB -0.530 29.544 30.300 -0.377 0.000 0.864 83 R HN 0.669 nan 8.270 nan 0.000 0.440 84 G N 0.758 109.284 108.800 -0.456 0.000 2.173 84 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.174 84 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.174 84 G C 0.090 174.627 174.900 -0.605 0.000 1.025 84 G CA 0.010 44.777 45.100 -0.556 0.000 0.706 84 G HN 0.264 nan 8.290 nan 0.000 0.499 85 V N -2.305 117.333 119.914 -0.460 0.000 2.963 85 V HA 0.532 4.652 4.120 -0.000 0.000 0.306 85 V C 1.368 177.310 176.094 -0.254 0.000 1.077 85 V CA -0.187 61.909 62.300 -0.341 0.000 1.124 85 V CB 0.453 32.205 31.823 -0.118 0.000 0.987 85 V HN 0.215 nan 8.190 nan 0.000 0.487 86 Y N 2.166 122.525 120.300 0.097 0.000 2.482 86 Y HA 0.696 5.245 4.550 -0.000 0.000 0.270 86 Y C 1.059 177.314 175.900 0.592 0.000 1.152 86 Y CA 0.301 58.654 58.100 0.422 0.000 1.292 86 Y CB -0.310 38.419 38.460 0.448 0.000 1.070 86 Y HN 1.135 nan 8.280 nan 0.000 0.528 87 A N -0.581 122.545 122.820 0.511 0.000 2.549 87 A HA 0.605 4.925 4.320 -0.000 0.000 0.291 87 A C -1.790 175.961 177.584 0.278 0.000 1.034 87 A CA -0.715 51.581 52.037 0.431 0.000 0.655 87 A CB 0.228 19.520 19.000 0.486 0.000 1.299 87 A HN 0.023 nan 8.150 nan 0.000 0.427 88 I N 1.067 121.764 120.570 0.211 0.000 2.447 88 I HA 0.446 4.616 4.170 -0.000 0.000 0.287 88 I C -0.856 175.201 176.117 -0.101 0.000 1.023 88 I CA -0.367 60.995 61.300 0.102 0.000 1.083 88 I CB 1.774 39.852 38.000 0.130 0.000 1.245 88 I HN 0.665 nan 8.210 nan 0.000 0.434 89 F N 5.888 125.731 119.950 -0.178 0.000 2.404 89 F HA 0.816 5.343 4.527 -0.000 0.000 0.345 89 F C 0.395 175.830 175.800 -0.608 0.000 1.110 89 F CA 0.112 57.888 58.000 -0.374 0.000 1.130 89 F CB 1.154 40.118 39.000 -0.060 0.000 1.129 89 F HN 0.488 nan 8.300 nan 0.000 0.500 90 G N 4.171 111.800 108.800 -1.952 0.000 2.489 90 G HA2 0.438 4.398 3.960 -0.000 0.000 0.305 90 G HA3 0.438 4.398 3.960 -0.000 0.000 0.305 90 G C -2.168 172.023 174.900 -1.181 0.000 1.311 90 G CA -0.896 43.422 45.100 -1.303 0.000 0.813 90 G HN 0.541 nan 8.290 nan 0.000 0.480 91 F N 0.038 119.737 119.950 -0.417 0.000 2.561 91 F HA 0.769 5.296 4.527 -0.000 0.000 0.321 91 F C -0.092 175.675 175.800 -0.055 0.000 1.065 91 F CA -0.713 57.097 58.000 -0.316 0.000 0.934 91 F CB 2.442 41.279 39.000 -0.271 0.000 1.215 91 F HN 0.667 nan 8.300 nan 0.000 0.471 92 Y N -0.784 119.611 120.300 0.158 0.000 2.669 92 Y HA 0.794 5.344 4.550 -0.000 0.000 0.335 92 Y C -1.317 174.658 175.900 0.125 0.000 1.116 92 Y CA -1.804 56.332 58.100 0.060 0.000 1.081 92 Y CB 0.652 39.042 38.460 -0.117 0.000 1.297 92 Y HN 0.554 nan 8.280 nan 0.000 0.484 93 D N -1.042 119.642 120.400 0.474 0.000 2.801 93 D HA 0.222 4.862 4.640 -0.000 0.000 0.277 93 D C 0.421 177.054 176.300 0.555 0.000 1.125 93 D CA -0.653 53.683 54.000 0.560 0.000 1.102 93 D CB 0.842 41.840 40.800 0.331 0.000 1.400 93 D HN 0.686 nan 8.370 nan 0.000 0.601 94 K N -0.006 120.659 120.400 0.441 0.000 2.152 94 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 94 K C 1.385 178.088 176.600 0.173 0.000 1.048 94 K CA 1.080 57.533 56.287 0.277 0.000 0.933 94 K CB -0.154 32.386 32.500 0.068 0.000 0.721 94 K HN 0.203 nan 8.250 nan 0.000 0.447 95 K N 0.720 121.205 120.400 0.141 0.000 2.305 95 K HA 0.013 4.333 4.320 -0.000 0.000 0.199 95 K C 1.793 178.427 176.600 0.056 0.000 1.047 95 K CA 1.239 57.577 56.287 0.084 0.000 0.976 95 K CB 0.302 32.846 32.500 0.074 0.000 0.765 95 K HN 0.359 nan 8.250 nan 0.000 0.474 96 S N -0.415 115.325 115.700 0.066 0.000 2.540 96 S HA 0.029 4.499 4.470 -0.000 0.000 0.222 96 S C 1.722 176.256 174.600 -0.109 0.000 1.008 96 S CA -0.255 57.947 58.200 0.002 0.000 0.939 96 S CB 0.333 63.557 63.200 0.041 0.000 0.865 96 S HN 0.044 nan 8.310 nan 0.000 0.499 97 V N 3.106 122.919 119.914 -0.168 0.000 2.392 97 V HA -0.239 3.881 4.120 -0.000 0.000 0.249 97 V C 1.764 177.607 176.094 -0.419 0.000 1.059 97 V CA 2.503 64.459 62.300 -0.574 0.000 1.051 97 V CB -1.082 30.324 31.823 -0.695 0.000 0.658 97 V HN 0.583 nan 8.190 nan 0.000 0.455 98 N N -0.730 117.844 118.700 -0.210 0.000 2.244 98 N HA -0.129 4.611 4.740 -0.000 0.000 0.183 98 N C 1.758 177.189 175.510 -0.131 0.000 1.016 98 N CA 1.704 54.664 53.050 -0.150 0.000 0.866 98 N CB -0.289 38.154 38.487 -0.074 0.000 0.980 98 N HN 0.464 nan 8.380 nan 0.000 0.430 99 T N 0.850 115.327 114.554 -0.128 0.000 2.684 99 T HA -0.090 4.260 4.350 -0.000 0.000 0.267 99 T C 1.754 176.331 174.700 -0.205 0.000 1.036 99 T CA 0.969 63.005 62.100 -0.106 0.000 1.148 99 T CB -0.222 68.534 68.868 -0.186 0.000 0.863 99 T HN 0.090 nan 8.240 nan 0.000 0.436 100 I N 1.805 122.169 120.570 -0.343 0.000 2.179 100 I HA -0.172 3.998 4.170 -0.000 0.000 0.242 100 I C 2.924 178.835 176.117 -0.343 0.000 1.088 100 I CA 1.643 62.656 61.300 -0.479 0.000 1.357 100 I CB -1.107 36.465 38.000 -0.713 0.000 1.051 100 I HN 0.407 nan 8.210 nan 0.000 0.409 101 T N -3.026 111.351 114.554 -0.296 0.000 2.746 101 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 101 T C 2.124 176.765 174.700 -0.097 0.000 1.039 101 T CA 1.704 63.705 62.100 -0.166 0.000 1.142 101 T CB -0.798 67.978 68.868 -0.153 0.000 0.866 101 T HN 0.262 nan 8.240 nan 0.000 0.444 102 S N -0.038 115.594 115.700 -0.113 0.000 2.371 102 S HA 0.062 4.532 4.470 -0.000 0.000 0.224 102 S C 1.628 176.094 174.600 -0.224 0.000 1.029 102 S CA 0.566 58.685 58.200 -0.136 0.000 0.978 102 S CB -0.675 62.440 63.200 -0.142 0.000 0.833 102 S HN 0.495 nan 8.310 nan 0.000 0.466 103 F N 1.314 121.020 119.950 -0.407 0.000 2.146 103 F HA -0.044 4.483 4.527 -0.000 0.000 0.298 103 F C 2.769 178.329 175.800 -0.401 0.000 1.096 103 F CA 0.844 58.492 58.000 -0.588 0.000 1.275 103 F CB -0.801 37.480 39.000 -1.197 0.000 1.008 103 F HN 0.309 nan 8.300 nan 0.000 0.480 104 C N -0.293 118.954 119.300 -0.088 0.000 2.429 104 C HA -0.092 4.368 4.460 -0.000 0.000 0.277 104 C C 3.125 178.118 174.990 0.006 0.000 1.262 104 C CA 1.290 60.390 59.018 0.137 0.000 1.733 104 C CB -1.671 26.216 27.740 0.246 0.000 2.010 104 C HN 0.640 nan 8.230 nan 0.000 0.483 105 G N -0.119 108.701 108.800 0.034 0.000 2.408 105 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 105 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 105 G C 1.690 176.602 174.900 0.020 0.000 1.150 105 G CA 1.628 46.779 45.100 0.086 0.000 0.776 105 G HN 0.511 nan 8.290 nan 0.000 0.542 106 T N 0.997 115.508 114.554 -0.073 0.000 2.812 106 T HA 0.062 4.412 4.350 -0.000 0.000 0.264 106 T C 2.169 176.816 174.700 -0.088 0.000 1.042 106 T CA 0.626 62.663 62.100 -0.104 0.000 1.140 106 T CB -0.098 68.606 68.868 -0.274 0.000 0.870 106 T HN 0.137 nan 8.240 nan 0.000 0.445 107 L N -0.333 120.819 121.223 -0.117 0.000 2.607 107 L HA 0.287 4.627 4.340 -0.000 0.000 0.228 107 L C 0.124 176.999 176.870 0.009 0.000 1.123 107 L CA 0.165 54.937 54.840 -0.114 0.000 0.890 107 L CB -0.422 41.481 42.059 -0.260 0.000 1.103 107 L HN 0.497 nan 8.230 nan 0.000 0.468 108 H N -1.377 117.393 119.070 -0.500 0.000 2.839 108 H HA -0.114 4.442 4.556 -0.000 0.000 0.298 108 H C -0.331 174.748 175.328 -0.415 0.000 1.224 108 H CA -0.394 54.948 56.048 -1.177 0.000 1.144 108 H CB -1.585 27.847 29.762 -0.551 0.000 1.372 108 H HN 0.084 nan 8.280 nan 0.000 0.408 109 V N 1.588 121.530 119.914 0.047 0.000 2.370 109 V HA 0.173 4.292 4.120 -0.000 0.000 0.279 109 V C 0.600 176.964 176.094 0.451 0.000 1.029 109 V CA -0.255 62.286 62.300 0.401 0.000 0.870 109 V CB 1.872 33.962 31.823 0.445 0.000 0.984 109 V HN 0.269 nan 8.190 nan 0.000 0.451 110 S N 5.040 121.045 115.700 0.508 0.000 2.548 110 S HA 0.496 4.966 4.470 -0.000 0.000 0.277 110 S C -0.621 174.228 174.600 0.415 0.000 1.315 110 S CA -0.129 58.350 58.200 0.465 0.000 1.050 110 S CB 0.355 63.754 63.200 0.332 0.000 0.918 110 S HN 0.549 nan 8.310 nan 0.000 0.497 111 F N 4.494 124.569 119.950 0.209 0.000 2.427 111 F HA 0.532 5.059 4.527 -0.000 0.000 0.348 111 F C -0.765 175.053 175.800 0.029 0.000 1.125 111 F CA -0.877 57.200 58.000 0.129 0.000 0.989 111 F CB 0.527 39.622 39.000 0.158 0.000 1.165 111 F HN 0.352 nan 8.300 nan 0.000 0.442 112 I N 5.109 125.503 120.570 -0.293 0.000 2.359 112 I HA 0.359 4.529 4.170 -0.000 0.000 0.294 112 I C -0.093 175.677 176.117 -0.578 0.000 0.987 112 I CA -0.253 60.907 61.300 -0.233 0.000 1.225 112 I CB 1.585 39.574 38.000 -0.018 0.000 1.366 112 I HN 0.540 nan 8.210 nan 0.000 0.466 113 T N 7.171 121.463 114.554 -0.437 0.000 2.956 113 T HA 0.489 4.839 4.350 -0.000 0.000 0.312 113 T C -2.462 171.955 174.700 -0.471 0.000 1.151 113 T CA -1.296 60.373 62.100 -0.718 0.000 1.024 113 T CB 2.303 70.841 68.868 -0.550 0.000 1.140 113 T HN 0.273 nan 8.240 nan 0.000 0.473 114 P HA 0.292 nan 4.420 nan 0.000 0.255 114 P C 0.141 177.282 177.300 -0.265 0.000 1.248 114 P CA -0.069 62.843 63.100 -0.313 0.000 0.807 114 P CB 0.230 31.780 31.700 -0.249 0.000 1.150 115 S N 0.666 116.075 115.700 -0.484 0.000 2.641 115 S HA 0.354 4.824 4.470 -0.000 0.000 0.261 115 S C 0.275 174.759 174.600 -0.194 0.000 1.257 115 S CA -0.585 57.378 58.200 -0.395 0.000 0.983 115 S CB -0.246 62.359 63.200 -0.993 0.000 0.990 115 S HN 0.200 nan 8.310 nan 0.000 0.572 116 F N 1.003 120.988 119.950 0.058 0.000 2.607 116 F HA 0.425 4.952 4.527 -0.000 0.000 0.374 116 F C -2.504 173.409 175.800 0.187 0.000 1.104 116 F CA -2.282 55.805 58.000 0.145 0.000 1.296 116 F CB -1.005 38.100 39.000 0.175 0.000 1.085 116 F HN 0.161 nan 8.300 nan 0.000 0.584 117 P HA 0.269 nan 4.420 nan 0.000 0.276 117 P C -0.666 176.776 177.300 0.237 0.000 1.244 117 P CA -0.419 62.776 63.100 0.158 0.000 0.801 117 P CB 1.337 33.125 31.700 0.147 0.000 1.006 118 T N -2.899 111.736 114.554 0.136 0.000 2.908 118 T HA 0.382 4.732 4.350 -0.000 0.000 0.290 118 T C 0.270 175.126 174.700 0.261 0.000 1.034 118 T CA -0.539 61.671 62.100 0.184 0.000 1.010 118 T CB 1.351 70.251 68.868 0.053 0.000 1.068 118 T HN 0.096 nan 8.240 nan 0.000 0.481 119 D N 1.093 121.614 120.400 0.201 0.000 2.305 119 D HA 0.202 4.842 4.640 -0.000 0.000 0.206 119 D C 1.445 177.822 176.300 0.128 0.000 0.974 119 D CA 0.457 54.552 54.000 0.157 0.000 0.871 119 D CB -0.299 40.566 40.800 0.107 0.000 0.947 119 D HN 0.824 nan 8.370 nan 0.000 0.516 120 G N -0.088 108.802 108.800 0.151 0.000 2.684 120 G HA2 0.137 4.097 3.960 -0.000 0.000 0.255 120 G HA3 0.137 4.097 3.960 -0.000 0.000 0.255 120 G C 0.029 174.955 174.900 0.043 0.000 1.219 120 G CA -0.210 44.950 45.100 0.099 0.000 0.901 120 G HN 0.068 nan 8.290 nan 0.000 0.548 121 T N -0.683 113.859 114.554 -0.021 0.000 2.799 121 T HA 0.343 4.692 4.350 -0.000 0.000 0.296 121 T C -0.202 174.467 174.700 -0.051 0.000 0.947 121 T CA -0.277 61.754 62.100 -0.116 0.000 1.141 121 T CB -0.282 68.545 68.868 -0.068 0.000 0.891 121 T HN 0.753 nan 8.240 nan 0.000 0.533 122 H N 2.818 121.888 119.070 -0.001 0.000 2.761 122 H HA 0.519 5.075 4.556 -0.000 0.000 0.263 122 H C -3.097 172.237 175.328 0.010 0.000 1.292 122 H CA -2.406 53.647 56.048 0.008 0.000 1.540 122 H CB 0.111 29.874 29.762 0.002 0.000 1.569 122 H HN 0.356 nan 8.280 nan 0.000 0.510 123 P HA 0.012 nan 4.420 nan 0.000 0.266 123 P C -0.145 177.274 177.300 0.197 0.000 1.195 123 P CA 0.018 63.101 63.100 -0.028 0.000 0.768 123 P CB 0.213 31.924 31.700 0.019 0.000 0.838 124 F N -1.114 118.858 119.950 0.036 0.000 2.746 124 F HA -0.188 4.339 4.527 -0.000 0.000 0.315 124 F C -0.058 175.829 175.800 0.145 0.000 0.666 124 F CA 0.314 58.362 58.000 0.079 0.000 1.381 124 F CB -2.018 37.042 39.000 0.101 0.000 1.739 124 F HN 0.030 nan 8.300 nan 0.000 0.322 125 V N 2.773 122.851 119.914 0.273 0.000 2.378 125 V HA 0.468 4.588 4.120 -0.000 0.000 0.288 125 V C 0.290 176.480 176.094 0.160 0.000 1.016 125 V CA -0.833 61.618 62.300 0.251 0.000 0.840 125 V CB 2.072 33.985 31.823 0.150 0.000 0.994 125 V HN 0.011 nan 8.190 nan 0.000 0.431 126 I N 4.609 125.209 120.570 0.050 0.000 2.307 126 I HA 0.389 4.559 4.170 -0.000 0.000 0.289 126 I C 0.206 176.292 176.117 -0.052 0.000 1.021 126 I CA -0.241 60.976 61.300 -0.139 0.000 1.224 126 I CB 1.233 39.030 38.000 -0.339 0.000 1.376 126 I HN 0.692 nan 8.210 nan 0.000 0.470 127 Q N 5.821 125.656 119.800 0.059 0.000 2.421 127 Q HA 0.310 4.650 4.340 -0.000 0.000 0.242 127 Q C 0.866 176.980 176.000 0.190 0.000 1.024 127 Q CA -0.527 55.331 55.803 0.091 0.000 0.891 127 Q CB 1.780 30.578 28.738 0.100 0.000 1.222 127 Q HN 0.489 nan 8.270 nan 0.000 0.483 128 M N 0.543 120.217 119.600 0.124 0.000 2.374 128 M HA -0.059 4.421 4.480 -0.000 0.000 0.264 128 M C 0.788 177.135 176.300 0.078 0.000 1.067 128 M CA 1.143 56.547 55.300 0.173 0.000 1.103 128 M CB -0.462 32.204 32.600 0.111 0.000 1.402 128 M HN 0.441 nan 8.290 nan 0.000 0.444 129 R N 1.876 122.401 120.500 0.042 0.000 2.267 129 R HA 0.219 4.559 4.340 -0.000 0.000 0.319 129 R C -2.420 173.834 176.300 -0.078 0.000 1.067 129 R CA -1.586 54.524 56.100 0.016 0.000 0.936 129 R CB 0.729 31.075 30.300 0.077 0.000 1.006 129 R HN -0.056 nan 8.270 nan 0.000 0.452 130 P HA -0.009 nan 4.420 nan 0.000 0.269 130 P C -0.992 176.111 177.300 -0.328 0.000 1.209 130 P CA -0.153 62.605 63.100 -0.571 0.000 0.776 130 P CB 0.605 31.685 31.700 -1.034 0.000 0.876 131 D N 0.940 121.177 120.400 -0.271 0.000 2.382 131 D HA 0.075 4.715 4.640 -0.000 0.000 0.245 131 D C 0.547 176.756 176.300 -0.151 0.000 1.120 131 D CA -0.023 53.929 54.000 -0.080 0.000 0.890 131 D CB 0.448 41.288 40.800 0.067 0.000 1.201 131 D HN 0.112 nan 8.370 nan 0.000 0.433 132 L N 3.402 124.502 121.223 -0.206 0.000 2.638 132 L HA 0.255 4.595 4.340 -0.000 0.000 0.232 132 L C 1.538 178.141 176.870 -0.446 0.000 1.099 132 L CA 0.669 55.273 54.840 -0.394 0.000 0.883 132 L CB -0.114 41.704 42.059 -0.402 0.000 1.136 132 L HN 0.374 nan 8.230 nan 0.000 0.492 133 K N -0.239 120.006 120.400 -0.258 0.000 2.057 133 K HA -0.048 4.272 4.320 -0.000 0.000 0.207 133 K C 1.942 178.381 176.600 -0.269 0.000 1.049 133 K CA 1.345 57.513 56.287 -0.198 0.000 0.931 133 K CB -0.569 31.886 32.500 -0.074 0.000 0.714 133 K HN 0.480 nan 8.250 nan 0.000 0.440 134 G N 1.337 109.935 108.800 -0.337 0.000 2.418 134 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 134 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 134 G C 1.663 176.050 174.900 -0.855 0.000 1.158 134 G CA 0.974 45.864 45.100 -0.350 0.000 0.771 134 G HN 0.357 nan 8.290 nan 0.000 0.545 135 A N 0.334 122.202 122.820 -1.587 0.000 1.933 135 A HA 0.073 4.393 4.320 -0.000 0.000 0.218 135 A C 2.346 179.573 177.584 -0.594 0.000 1.175 135 A CA 1.682 52.804 52.037 -1.526 0.000 0.628 135 A CB -0.409 17.893 19.000 -1.164 0.000 0.814 135 A HN 0.447 nan 8.150 nan 0.000 0.444 136 L N -0.170 120.734 121.223 -0.532 0.000 2.027 136 L HA -0.081 4.259 4.340 -0.000 0.000 0.206 136 L C 2.257 179.065 176.870 -0.104 0.000 1.074 136 L CA 1.678 56.396 54.840 -0.203 0.000 0.745 136 L CB -0.538 41.400 42.059 -0.202 0.000 0.898 136 L HN 0.397 nan 8.230 nan 0.000 0.433 137 L N -1.202 119.974 121.223 -0.079 0.000 2.046 137 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 137 L C 2.463 179.390 176.870 0.095 0.000 1.077 137 L CA 1.346 56.239 54.840 0.088 0.000 0.747 137 L CB -0.762 41.388 42.059 0.151 0.000 0.896 137 L HN 0.214 nan 8.230 nan 0.000 0.432 138 S N -0.034 115.697 115.700 0.051 0.000 2.399 138 S HA -0.144 4.326 4.470 -0.000 0.000 0.231 138 S C 1.823 176.433 174.600 0.016 0.000 1.022 138 S CA 1.063 59.336 58.200 0.121 0.000 0.983 138 S CB -0.227 63.160 63.200 0.311 0.000 0.803 138 S HN 0.233 nan 8.310 nan 0.000 0.480 139 L N 1.726 122.906 121.223 -0.072 0.000 2.109 139 L HA 0.133 4.473 4.340 -0.000 0.000 0.207 139 L C 1.812 178.480 176.870 -0.338 0.000 1.086 139 L CA 1.357 56.072 54.840 -0.208 0.000 0.760 139 L CB -0.514 41.452 42.059 -0.155 0.000 0.910 139 L HN 0.259 nan 8.230 nan 0.000 0.437 140 I N -0.428 119.924 120.570 -0.364 0.000 2.163 140 I HA -0.324 3.846 4.170 -0.000 0.000 0.243 140 I C 2.292 178.202 176.117 -0.346 0.000 1.085 140 I CA 1.611 62.541 61.300 -0.617 0.000 1.347 140 I CB -0.318 37.245 38.000 -0.729 0.000 1.044 140 I HN 0.326 nan 8.210 nan 0.000 0.408 141 E N -0.242 119.920 120.200 -0.062 0.000 2.106 141 E HA -0.261 4.089 4.350 -0.000 0.000 0.192 141 E C 2.030 178.644 176.600 0.025 0.000 0.984 141 E CA 1.203 57.663 56.400 0.100 0.000 0.806 141 E CB -0.233 29.591 29.700 0.208 0.000 0.750 141 E HN 0.496 nan 8.360 nan 0.000 0.458 142 Y N 0.028 120.211 120.300 -0.194 0.000 2.181 142 Y HA -0.274 4.276 4.550 0.000 0.000 0.288 142 Y C 1.405 177.150 175.900 -0.258 0.000 1.146 142 Y CA 1.512 59.451 58.100 -0.269 0.000 1.164 142 Y CB -0.158 38.039 38.460 -0.437 0.000 0.982 142 Y HN 0.047 nan 8.280 nan 0.000 0.515 143 Y N 0.987 121.139 120.300 -0.246 0.000 2.578 143 Y HA 0.032 4.582 4.550 -0.000 0.000 0.297 143 Y C 0.848 176.709 175.900 -0.066 0.000 1.176 143 Y CA 0.547 58.482 58.100 -0.275 0.000 1.315 143 Y CB -0.813 37.355 38.460 -0.485 0.000 1.031 143 Y HN 0.272 nan 8.280 nan 0.000 0.524 144 Q N -2.107 117.729 119.800 0.059 0.000 2.475 144 Q HA -0.249 4.090 4.340 -0.000 0.000 0.280 144 Q C -1.088 175.084 176.000 0.287 0.000 1.234 144 Q CA 0.172 56.064 55.803 0.148 0.000 0.873 144 Q CB -1.635 27.165 28.738 0.104 0.000 1.256 144 Q HN 0.390 nan 8.270 nan 0.000 0.475 145 W N 1.122 122.390 121.300 -0.053 0.000 2.190 145 W HA 0.165 4.825 4.660 -0.000 0.000 0.330 145 W C 1.108 177.587 176.519 -0.067 0.000 1.299 145 W CA 0.315 57.602 57.345 -0.097 0.000 1.215 145 W CB 0.243 29.536 29.460 -0.278 0.000 1.147 145 W HN 0.320 nan 8.180 nan 0.000 0.563 146 D N -0.430 120.111 120.400 0.236 0.000 2.525 146 D HA 0.106 4.746 4.640 -0.000 0.000 0.231 146 D C -0.270 176.145 176.300 0.192 0.000 1.216 146 D CA -0.290 53.873 54.000 0.271 0.000 0.813 146 D CB 0.178 41.145 40.800 0.279 0.000 1.108 146 D HN 0.237 nan 8.370 nan 0.000 0.524 147 K N 0.531 121.010 120.400 0.130 0.000 2.588 147 K HA 0.502 4.822 4.320 -0.000 0.000 0.250 147 K C -1.910 174.685 176.600 -0.009 0.000 0.972 147 K CA -0.787 55.484 56.287 -0.027 0.000 0.821 147 K CB 1.273 33.745 32.500 -0.046 0.000 1.249 147 K HN 0.030 nan 8.250 nan 0.000 0.442 148 F N 0.537 120.422 119.950 -0.109 0.000 2.773 148 F HA 0.734 5.261 4.527 -0.000 0.000 0.314 148 F C -1.635 174.163 175.800 -0.003 0.000 1.160 148 F CA -1.269 56.639 58.000 -0.152 0.000 0.920 148 F CB 0.805 39.720 39.000 -0.142 0.000 1.323 148 F HN 0.367 nan 8.300 nan 0.000 0.457 149 A N 1.080 124.048 122.820 0.246 0.000 2.312 149 A HA 0.661 4.981 4.320 -0.000 0.000 0.326 149 A C -2.161 175.695 177.584 0.454 0.000 1.172 149 A CA -0.614 51.560 52.037 0.228 0.000 0.821 149 A CB 0.664 19.741 19.000 0.128 0.000 1.166 149 A HN 0.986 nan 8.150 nan 0.000 0.493 150 Y N 3.205 123.668 120.300 0.273 0.000 2.464 150 Y HA 0.543 5.093 4.550 -0.000 0.000 0.326 150 Y C -1.099 174.986 175.900 0.307 0.000 0.969 150 Y CA -0.733 57.559 58.100 0.320 0.000 1.270 150 Y CB 0.899 39.541 38.460 0.303 0.000 1.103 150 Y HN 0.525 nan 8.280 nan 0.000 0.491 151 L N 8.642 129.844 121.223 -0.036 0.000 2.255 151 L HA 0.384 4.724 4.340 -0.000 0.000 0.289 151 L C -0.817 175.971 176.870 -0.136 0.000 1.046 151 L CA -0.885 53.942 54.840 -0.021 0.000 0.816 151 L CB 0.094 42.161 42.059 0.013 0.000 1.197 151 L HN 0.664 nan 8.230 nan 0.000 0.427 152 Y N -0.020 120.132 120.300 -0.246 0.000 2.633 152 Y HA 0.641 5.191 4.550 -0.000 0.000 0.339 152 Y C -0.865 175.004 175.900 -0.052 0.000 1.045 152 Y CA -1.396 56.578 58.100 -0.210 0.000 1.098 152 Y CB 1.530 39.882 38.460 -0.181 0.000 1.296 152 Y HN 0.272 nan 8.280 nan 0.000 0.494 153 D N 0.994 121.379 120.400 -0.025 0.000 2.392 153 D HA 0.166 4.806 4.640 -0.000 0.000 0.228 153 D C 0.693 176.970 176.300 -0.038 0.000 1.074 153 D CA -0.064 53.892 54.000 -0.074 0.000 0.838 153 D CB 1.714 42.520 40.800 0.011 0.000 1.067 153 D HN 0.729 nan 8.370 nan 0.000 0.511 154 S N 2.120 117.741 115.700 -0.132 0.000 2.465 154 S HA -0.164 4.306 4.470 -0.000 0.000 0.241 154 S C 0.707 175.310 174.600 0.005 0.000 1.000 154 S CA 0.598 58.777 58.200 -0.035 0.000 0.964 154 S CB 0.076 63.237 63.200 -0.065 0.000 0.763 154 S HN 0.388 nan 8.310 nan 0.000 0.512 155 D N 1.336 121.735 120.400 -0.002 0.000 2.413 155 D HA 0.308 4.948 4.640 -0.000 0.000 0.237 155 D C 0.533 176.852 176.300 0.031 0.000 1.171 155 D CA 0.206 54.218 54.000 0.019 0.000 0.839 155 D CB 0.053 40.865 40.800 0.020 0.000 0.950 155 D HN 0.466 nan 8.370 nan 0.000 0.499 156 R N -0.981 119.532 120.500 0.020 0.000 2.844 156 R HA 0.529 4.869 4.340 -0.000 0.000 0.264 156 R C 0.262 176.507 176.300 -0.092 0.000 1.077 156 R CA -0.813 55.280 56.100 -0.012 0.000 0.953 156 R CB 1.038 31.361 30.300 0.038 0.000 1.272 156 R HN 0.089 nan 8.270 nan 0.000 0.447 157 G N 0.184 108.836 108.800 -0.246 0.000 2.647 157 G HA2 0.237 4.197 3.960 -0.000 0.000 0.271 157 G HA3 0.237 4.197 3.960 -0.000 0.000 0.271 157 G C 0.247 175.100 174.900 -0.078 0.000 1.300 157 G CA -0.217 44.675 45.100 -0.347 0.000 0.997 157 G HN 0.396 nan 8.290 nan 0.000 0.533 158 L N -0.841 120.340 121.223 -0.070 0.000 3.515 158 L HA 0.139 4.479 4.340 -0.000 0.000 0.322 158 L C 2.502 179.358 176.870 -0.023 0.000 1.225 158 L CA 0.361 55.197 54.840 -0.006 0.000 1.104 158 L CB 0.483 42.554 42.059 0.021 0.000 1.506 158 L HN 0.616 nan 8.230 nan 0.000 0.624 159 S N 0.121 115.813 115.700 -0.014 0.000 2.387 159 S HA -0.193 4.277 4.470 -0.000 0.000 0.230 159 S C 1.844 176.438 174.600 -0.009 0.000 1.035 159 S CA 2.559 60.764 58.200 0.008 0.000 1.014 159 S CB -0.013 63.217 63.200 0.050 0.000 0.836 159 S HN 0.456 nan 8.310 nan 0.000 0.466 160 T N 2.594 117.150 114.554 0.003 0.000 2.812 160 T HA 0.013 4.363 4.350 -0.000 0.000 0.264 160 T C 1.680 176.313 174.700 -0.111 0.000 1.042 160 T CA 1.135 63.235 62.100 0.000 0.000 1.140 160 T CB -0.536 68.390 68.868 0.097 0.000 0.870 160 T HN 0.348 nan 8.240 nan 0.000 0.445 161 L N 1.521 122.664 121.223 -0.134 0.000 1.963 161 L HA -0.234 4.106 4.340 -0.000 0.000 0.220 161 L C 2.444 179.160 176.870 -0.256 0.000 1.076 161 L CA 1.977 56.609 54.840 -0.347 0.000 0.772 161 L CB -0.927 40.920 42.059 -0.352 0.000 0.892 161 L HN 0.216 nan 8.230 nan 0.000 0.435 162 Q N -0.804 118.913 119.800 -0.140 0.000 2.077 162 Q HA -0.247 4.093 4.340 -0.000 0.000 0.206 162 Q C 2.227 178.181 176.000 -0.075 0.000 0.989 162 Q CA 2.348 58.099 55.803 -0.086 0.000 0.853 162 Q CB -0.452 28.260 28.738 -0.044 0.000 0.907 162 Q HN 0.758 nan 8.270 nan 0.000 0.418 163 A N -0.324 122.456 122.820 -0.067 0.000 1.898 163 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 163 A C 2.274 179.843 177.584 -0.025 0.000 1.181 163 A CA 1.368 53.384 52.037 -0.036 0.000 0.620 163 A CB -0.617 18.370 19.000 -0.020 0.000 0.819 163 A HN 0.241 nan 8.150 nan 0.000 0.442 164 V N 0.163 120.032 119.914 -0.074 0.000 2.307 164 V HA -0.234 3.886 4.120 -0.000 0.000 0.245 164 V C 2.566 178.687 176.094 0.046 0.000 1.045 164 V CA 1.891 64.200 62.300 0.015 0.000 1.024 164 V CB -0.727 30.961 31.823 -0.224 0.000 0.651 164 V HN 0.566 nan 8.190 nan 0.000 0.449 165 L N -0.181 120.999 121.223 -0.071 0.000 2.046 165 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 165 L C 2.368 179.211 176.870 -0.045 0.000 1.077 165 L CA 1.541 56.352 54.840 -0.048 0.000 0.747 165 L CB -0.785 41.229 42.059 -0.074 0.000 0.896 165 L HN 0.355 nan 8.230 nan 0.000 0.432 166 D N -0.476 119.892 120.400 -0.054 0.000 2.144 166 D HA -0.128 4.512 4.640 -0.000 0.000 0.200 166 D C 2.383 178.616 176.300 -0.112 0.000 0.978 166 D CA 1.253 55.213 54.000 -0.067 0.000 0.833 166 D CB -0.055 40.715 40.800 -0.051 0.000 0.961 166 D HN 0.154 nan 8.370 nan 0.000 0.470 167 S N 0.513 116.138 115.700 -0.124 0.000 2.383 167 S HA -0.059 4.411 4.470 -0.000 0.000 0.227 167 S C 2.117 176.377 174.600 -0.567 0.000 1.026 167 S CA 0.844 58.858 58.200 -0.309 0.000 0.981 167 S CB -0.112 62.936 63.200 -0.253 0.000 0.818 167 S HN 0.353 nan 8.310 nan 0.000 0.472 168 A N 1.714 124.366 122.820 -0.279 0.000 1.940 168 A HA 0.024 4.344 4.320 -0.000 0.000 0.219 168 A C 2.338 179.790 177.584 -0.221 0.000 1.176 168 A CA 1.760 53.690 52.037 -0.178 0.000 0.631 168 A CB -1.035 18.037 19.000 0.119 0.000 0.814 168 A HN 0.517 nan 8.150 nan 0.000 0.446 169 A N -0.596 122.126 122.820 -0.164 0.000 1.898 169 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 169 A C 1.992 179.478 177.584 -0.163 0.000 1.181 169 A CA 2.029 53.991 52.037 -0.126 0.000 0.620 169 A CB -0.426 18.520 19.000 -0.089 0.000 0.819 169 A HN 0.551 nan 8.150 nan 0.000 0.442 170 E N -0.175 119.894 120.200 -0.219 0.000 2.072 170 E HA -0.074 4.276 4.350 -0.000 0.000 0.190 170 E C 1.586 178.027 176.600 -0.264 0.000 0.982 170 E CA 1.101 57.376 56.400 -0.208 0.000 0.803 170 E CB 0.073 29.653 29.700 -0.200 0.000 0.755 170 E HN 0.327 nan 8.360 nan 0.000 0.453 171 K N 0.479 120.595 120.400 -0.474 0.000 2.404 171 K HA 0.059 4.379 4.320 -0.000 0.000 0.194 171 K C -0.222 176.163 176.600 -0.359 0.000 1.023 171 K CA 0.191 56.151 56.287 -0.545 0.000 1.094 171 K CB 0.624 32.414 32.500 -1.183 0.000 0.841 171 K HN -0.016 nan 8.250 nan 0.000 0.523 172 K N 0.142 120.390 120.400 -0.253 0.000 3.096 172 K HA -0.157 4.163 4.320 -0.000 0.000 0.266 172 K C -0.628 176.034 176.600 0.103 0.000 1.043 172 K CA 0.665 56.916 56.287 -0.061 0.000 0.758 172 K CB -2.455 30.039 32.500 -0.009 0.000 1.260 172 K HN 0.172 nan 8.250 nan 0.000 0.481 173 W N 1.338 122.657 121.300 0.032 0.000 2.237 173 W HA 0.281 4.941 4.660 -0.000 0.000 0.335 173 W C 1.043 177.509 176.519 -0.088 0.000 1.230 173 W CA -0.575 56.779 57.345 0.015 0.000 1.253 173 W CB 0.263 29.767 29.460 0.073 0.000 1.129 173 W HN 0.034 nan 8.180 nan 0.000 0.590 174 Q N 1.668 121.523 119.800 0.091 0.000 2.430 174 Q HA 0.343 4.683 4.340 -0.000 0.000 0.245 174 Q C -0.657 175.200 176.000 -0.239 0.000 1.021 174 Q CA -0.451 55.323 55.803 -0.048 0.000 0.867 174 Q CB 1.484 30.201 28.738 -0.035 0.000 1.210 174 Q HN 0.082 nan 8.270 nan 0.000 0.487 175 V N 2.372 122.138 119.914 -0.246 0.000 2.427 175 V HA 0.282 4.402 4.120 -0.000 0.000 0.286 175 V C 0.224 176.228 176.094 -0.151 0.000 1.034 175 V CA -0.489 61.579 62.300 -0.385 0.000 0.893 175 V CB 1.811 33.437 31.823 -0.328 0.000 0.982 175 V HN 0.632 nan 8.190 nan 0.000 0.452 176 T N 4.782 119.275 114.554 -0.102 0.000 2.832 176 T HA 0.548 4.898 4.350 -0.000 0.000 0.313 176 T C 0.157 174.925 174.700 0.113 0.000 1.035 176 T CA -0.140 61.965 62.100 0.008 0.000 0.950 176 T CB 0.836 69.706 68.868 0.003 0.000 0.984 176 T HN 0.851 nan 8.240 nan 0.000 0.486 177 A N 5.213 128.126 122.820 0.154 0.000 2.322 177 A HA 0.645 4.965 4.320 -0.000 0.000 0.327 177 A C -0.232 177.566 177.584 0.357 0.000 1.394 177 A CA -0.630 51.596 52.037 0.314 0.000 0.921 177 A CB 0.058 19.204 19.000 0.243 0.000 1.153 177 A HN 0.687 nan 8.150 nan 0.000 0.523 178 I N 2.940 123.716 120.570 0.343 0.000 2.355 178 I HA 0.157 4.327 4.170 -0.000 0.000 0.288 178 I C 0.018 176.110 176.117 -0.042 0.000 0.999 178 I CA -0.665 60.730 61.300 0.159 0.000 1.163 178 I CB 1.372 39.403 38.000 0.051 0.000 1.316 178 I HN 0.695 nan 8.210 nan 0.000 0.454 179 N N 6.676 125.213 118.700 -0.272 0.000 2.406 179 N HA 0.019 4.759 4.740 -0.000 0.000 0.269 179 N C 0.563 175.824 175.510 -0.416 0.000 1.210 179 N CA 0.165 52.713 53.050 -0.835 0.000 0.966 179 N CB 0.699 38.868 38.487 -0.531 0.000 1.293 179 N HN 0.376 nan 8.380 nan 0.000 0.491 180 V N 2.201 121.897 119.914 -0.364 0.000 3.630 180 V HA 0.155 4.275 4.120 -0.000 0.000 0.273 180 V C 1.612 177.616 176.094 -0.150 0.000 1.248 180 V CA 0.431 62.630 62.300 -0.170 0.000 1.170 180 V CB -1.057 30.736 31.823 -0.051 0.000 0.899 180 V HN 0.645 nan 8.190 nan 0.000 0.457 181 G N -0.355 108.317 108.800 -0.212 0.000 2.651 181 G HA2 0.235 4.195 3.960 -0.000 0.000 0.260 181 G HA3 0.235 4.195 3.960 -0.000 0.000 0.260 181 G C 0.166 175.007 174.900 -0.098 0.000 1.216 181 G CA -0.342 44.680 45.100 -0.130 0.000 0.913 181 G HN 0.448 nan 8.290 nan 0.000 0.535 182 N N -1.281 117.383 118.700 -0.060 0.000 2.650 182 N HA -0.144 4.596 4.740 -0.000 0.000 0.272 182 N C -0.448 175.023 175.510 -0.065 0.000 1.058 182 N CA 0.442 53.463 53.050 -0.049 0.000 0.765 182 N CB -0.586 37.876 38.487 -0.042 0.000 0.902 182 N HN 0.316 nan 8.380 nan 0.000 0.551 183 I N 0.595 121.127 120.570 -0.064 0.000 2.336 183 I HA 0.102 4.272 4.170 -0.000 0.000 0.292 183 I C 1.297 177.381 176.117 -0.055 0.000 0.991 183 I CA -0.349 60.898 61.300 -0.087 0.000 1.227 183 I CB 1.173 39.103 38.000 -0.116 0.000 1.366 183 I HN 0.291 nan 8.210 nan 0.000 0.466 184 N N 5.276 123.942 118.700 -0.056 0.000 2.666 184 N HA -0.127 4.613 4.740 -0.000 0.000 0.194 184 N C 0.072 175.569 175.510 -0.022 0.000 1.220 184 N CA 0.056 53.086 53.050 -0.034 0.000 0.928 184 N CB -0.195 38.272 38.487 -0.033 0.000 0.997 184 N HN 0.516 nan 8.380 nan 0.000 0.447 185 N N -0.209 118.478 118.700 -0.021 0.000 2.690 185 N HA -0.209 4.531 4.740 -0.000 0.000 0.249 185 N C -0.423 175.087 175.510 0.000 0.000 1.125 185 N CA 1.366 54.416 53.050 -0.000 0.000 0.794 185 N CB -0.717 37.775 38.487 0.009 0.000 1.152 185 N HN 0.500 nan 8.380 nan 0.000 0.571 186 D N -0.743 119.648 120.400 -0.015 0.000 3.093 186 D HA 0.141 4.781 4.640 -0.000 0.000 0.206 186 D C 1.121 177.410 176.300 -0.018 0.000 1.512 186 D CA 0.197 54.191 54.000 -0.010 0.000 1.420 186 D CB -0.353 40.441 40.800 -0.011 0.000 1.166 186 D HN -0.015 nan 8.370 nan 0.000 0.285 187 K N 2.191 122.571 120.400 -0.035 0.000 2.574 187 K HA -0.049 4.271 4.320 -0.000 0.000 0.193 187 K C 1.604 178.156 176.600 -0.080 0.000 1.035 187 K CA 0.283 56.543 56.287 -0.045 0.000 0.982 187 K CB 0.002 32.473 32.500 -0.049 0.000 0.795 187 K HN 0.028 nan 8.250 nan 0.000 0.491 188 K N 1.771 122.112 120.400 -0.097 0.000 2.077 188 K HA -0.313 4.007 4.320 -0.000 0.000 0.213 188 K C 1.399 177.932 176.600 -0.112 0.000 1.051 188 K CA 2.382 58.558 56.287 -0.186 0.000 0.929 188 K CB -0.377 32.089 32.500 -0.057 0.000 0.715 188 K HN 0.166 nan 8.250 nan 0.000 0.451 189 D N 0.567 120.986 120.400 0.032 0.000 2.117 189 D HA -0.122 4.517 4.640 -0.000 0.000 0.197 189 D C 1.435 177.784 176.300 0.082 0.000 0.987 189 D CA 1.361 55.425 54.000 0.107 0.000 0.829 189 D CB 0.003 40.847 40.800 0.074 0.000 0.961 189 D HN 0.471 nan 8.370 nan 0.000 0.460 190 E N -1.094 119.120 120.200 0.024 0.000 2.435 190 E HA 0.018 4.368 4.350 -0.000 0.000 0.195 190 E C 1.916 178.519 176.600 0.006 0.000 1.029 190 E CA 0.180 56.594 56.400 0.023 0.000 0.865 190 E CB 0.157 29.861 29.700 0.007 0.000 0.833 190 E HN 0.422 nan 8.360 nan 0.000 0.510 191 M N -0.797 118.767 119.600 -0.059 0.000 2.466 191 M HA 0.007 4.487 4.480 -0.000 0.000 0.265 191 M C 1.231 177.500 176.300 -0.052 0.000 1.122 191 M CA 0.710 55.942 55.300 -0.114 0.000 1.157 191 M CB 0.164 32.619 32.600 -0.242 0.000 1.352 191 M HN 0.110 nan 8.290 nan 0.000 0.464 192 Y N 0.568 120.936 120.300 0.113 0.000 2.373 192 Y HA -0.015 4.535 4.550 -0.000 0.000 0.293 192 Y C 2.482 178.567 175.900 0.308 0.000 1.129 192 Y CA 0.799 59.039 58.100 0.234 0.000 1.226 192 Y CB -0.538 38.089 38.460 0.278 0.000 1.000 192 Y HN 0.091 nan 8.280 nan 0.000 0.549 193 R N -0.716 119.969 120.500 0.308 0.000 2.080 193 R HA -0.165 4.175 4.340 -0.000 0.000 0.236 193 R C 2.543 178.961 176.300 0.197 0.000 1.137 193 R CA 1.542 57.775 56.100 0.222 0.000 0.943 193 R CB -1.021 29.355 30.300 0.127 0.000 0.846 193 R HN 0.234 nan 8.270 nan 0.000 0.431 194 S N 0.919 116.699 115.700 0.133 0.000 2.406 194 S HA -0.017 4.453 4.470 -0.000 0.000 0.228 194 S C 1.964 176.616 174.600 0.086 0.000 1.020 194 S CA 0.458 58.711 58.200 0.089 0.000 0.965 194 S CB -0.108 63.119 63.200 0.045 0.000 0.798 194 S HN 0.279 nan 8.310 nan 0.000 0.488 195 L N -0.171 121.111 121.223 0.099 0.000 1.955 195 L HA -0.094 4.246 4.340 -0.000 0.000 0.213 195 L C 1.861 178.700 176.870 -0.052 0.000 1.072 195 L CA 2.000 56.836 54.840 -0.006 0.000 0.755 195 L CB -0.431 41.611 42.059 -0.029 0.000 0.888 195 L HN 0.376 nan 8.230 nan 0.000 0.432 196 F N -0.328 119.693 119.950 0.118 0.000 2.502 196 F HA -0.152 4.375 4.527 -0.000 0.000 0.298 196 F C 2.651 178.500 175.800 0.083 0.000 1.111 196 F CA 1.042 59.106 58.000 0.106 0.000 1.445 196 F CB -0.355 38.704 39.000 0.099 0.000 1.081 196 F HN 0.286 nan 8.300 nan 0.000 0.558 197 Q N 0.756 120.685 119.800 0.215 0.000 2.084 197 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 197 Q C 1.517 177.572 176.000 0.093 0.000 0.978 197 Q CA 2.069 57.953 55.803 0.134 0.000 0.844 197 Q CB -0.075 28.723 28.738 0.100 0.000 0.898 197 Q HN 0.311 nan 8.270 nan 0.000 0.426 198 D N 0.236 120.676 120.400 0.067 0.000 2.097 198 D HA -0.148 4.492 4.640 -0.000 0.000 0.195 198 D C 1.984 178.305 176.300 0.036 0.000 0.989 198 D CA 0.880 54.902 54.000 0.037 0.000 0.827 198 D CB -0.132 40.679 40.800 0.017 0.000 0.966 198 D HN 0.209 nan 8.370 nan 0.000 0.456 199 L N 1.271 122.518 121.223 0.041 0.000 1.982 199 L HA -0.075 4.265 4.340 -0.000 0.000 0.206 199 L C 2.318 179.243 176.870 0.091 0.000 1.078 199 L CA 1.359 56.229 54.840 0.050 0.000 0.749 199 L CB -0.928 41.155 42.059 0.041 0.000 0.894 199 L HN -0.088 nan 8.230 nan 0.000 0.436 200 E N -0.101 120.211 120.200 0.186 0.000 2.169 200 E HA -0.264 4.086 4.350 -0.000 0.000 0.202 200 E C 2.028 178.679 176.600 0.085 0.000 1.016 200 E CA 2.088 58.600 56.400 0.186 0.000 0.817 200 E CB -0.307 29.537 29.700 0.240 0.000 0.736 200 E HN 0.488 nan 8.360 nan 0.000 0.462 201 L N -1.196 120.068 121.223 0.068 0.000 2.463 201 L HA 0.201 4.541 4.340 -0.000 0.000 0.219 201 L C 1.860 178.737 176.870 0.013 0.000 1.088 201 L CA 1.107 55.969 54.840 0.036 0.000 0.849 201 L CB -0.126 41.958 42.059 0.040 0.000 1.012 201 L HN -0.219 nan 8.230 nan 0.000 0.468 202 K N 1.373 121.779 120.400 0.010 0.000 2.589 202 K HA -0.025 4.295 4.320 -0.000 0.000 0.192 202 K C -0.174 176.406 176.600 -0.034 0.000 1.029 202 K CA 0.020 56.301 56.287 -0.010 0.000 1.031 202 K CB -0.091 32.402 32.500 -0.010 0.000 0.821 202 K HN 0.334 nan 8.250 nan 0.000 0.502 203 K N 1.062 121.440 120.400 -0.037 0.000 3.078 203 K HA -0.218 4.102 4.320 -0.000 0.000 0.261 203 K C -0.635 175.889 176.600 -0.128 0.000 0.947 203 K CA 1.038 57.277 56.287 -0.080 0.000 0.702 203 K CB -1.494 30.962 32.500 -0.073 0.000 1.318 203 K HN 0.465 nan 8.250 nan 0.000 0.473 204 E N 1.050 121.183 120.200 -0.113 0.000 2.046 204 E HA 0.136 4.486 4.350 -0.000 0.000 0.279 204 E C 0.409 176.879 176.600 -0.217 0.000 0.989 204 E CA -0.459 55.853 56.400 -0.146 0.000 0.798 204 E CB 0.563 30.216 29.700 -0.078 0.000 1.086 204 E HN 0.198 nan 8.360 nan 0.000 0.399 205 R N 3.474 123.745 120.500 -0.382 0.000 2.508 205 R HA 0.233 4.573 4.340 -0.000 0.000 0.300 205 R C -0.099 175.920 176.300 -0.469 0.000 0.970 205 R CA -0.281 55.425 56.100 -0.657 0.000 1.102 205 R CB 0.736 30.450 30.300 -0.977 0.000 1.246 205 R HN 0.248 nan 8.270 nan 0.000 0.539 206 R N 1.256 121.459 120.500 -0.495 0.000 2.229 206 R HA 0.384 4.724 4.340 -0.000 0.000 0.328 206 R C -0.919 175.151 176.300 -0.384 0.000 1.009 206 R CA -0.270 55.348 56.100 -0.805 0.000 0.864 206 R CB 1.877 31.152 30.300 -1.707 0.000 1.085 206 R HN -0.168 nan 8.270 nan 0.000 0.453 207 V N 5.544 125.408 119.914 -0.082 0.000 2.623 207 V HA 0.408 4.528 4.120 -0.000 0.000 0.304 207 V C -0.252 176.077 176.094 0.391 0.000 1.054 207 V CA -0.743 61.688 62.300 0.219 0.000 0.882 207 V CB 2.168 34.153 31.823 0.271 0.000 1.002 207 V HN 0.644 nan 8.190 nan 0.000 0.424 208 I N 5.338 126.145 120.570 0.394 0.000 2.336 208 I HA 0.436 4.606 4.170 -0.000 0.000 0.292 208 I C -0.591 175.639 176.117 0.188 0.000 0.991 208 I CA -0.412 61.084 61.300 0.327 0.000 1.227 208 I CB 1.469 39.703 38.000 0.390 0.000 1.366 208 I HN 0.362 nan 8.210 nan 0.000 0.466 209 L N 6.075 127.403 121.223 0.175 0.000 2.277 209 L HA 0.355 4.695 4.340 -0.000 0.000 0.284 209 L C -0.466 176.435 176.870 0.051 0.000 1.028 209 L CA -0.213 54.680 54.840 0.089 0.000 0.835 209 L CB 0.843 42.968 42.059 0.109 0.000 1.215 209 L HN 0.532 nan 8.230 nan 0.000 0.425 210 D N 3.784 124.151 120.400 -0.055 0.000 2.517 210 D HA 0.388 5.027 4.640 -0.000 0.000 0.301 210 D C -0.638 175.678 176.300 0.026 0.000 1.202 210 D CA -0.215 53.778 54.000 -0.011 0.000 0.910 210 D CB 0.510 41.262 40.800 -0.080 0.000 1.021 210 D HN 0.562 nan 8.370 nan 0.000 0.499 211 C N -0.346 118.986 119.300 0.052 0.000 3.311 211 C HA 0.639 5.099 4.460 -0.000 0.000 0.366 211 C C 0.067 175.104 174.990 0.078 0.000 1.694 211 C CA -1.072 57.979 59.018 0.056 0.000 1.244 211 C CB 0.669 28.427 27.740 0.030 0.000 2.038 211 C HN 0.303 nan 8.230 nan 0.000 0.436 212 E N 0.450 120.693 120.200 0.072 0.000 2.373 212 E HA 0.220 4.570 4.350 -0.000 0.000 0.267 212 E C 0.702 177.347 176.600 0.075 0.000 1.032 212 E CA -0.125 56.325 56.400 0.083 0.000 0.889 212 E CB 0.845 30.588 29.700 0.072 0.000 0.984 212 E HN 0.448 nan 8.360 nan 0.000 0.425 213 R N 1.882 122.433 120.500 0.086 0.000 2.134 213 R HA -0.236 4.104 4.340 -0.000 0.000 0.248 213 R C 1.382 177.708 176.300 0.044 0.000 1.143 213 R CA 1.954 58.096 56.100 0.070 0.000 0.957 213 R CB -0.204 30.145 30.300 0.082 0.000 0.867 213 R HN 0.518 nan 8.270 nan 0.000 0.441 214 D N 0.056 120.484 120.400 0.046 0.000 2.144 214 D HA -0.140 4.500 4.640 -0.000 0.000 0.199 214 D C 1.680 178.002 176.300 0.035 0.000 0.984 214 D CA 1.084 55.106 54.000 0.036 0.000 0.834 214 D CB -0.121 40.703 40.800 0.041 0.000 0.955 214 D HN 0.028 nan 8.370 nan 0.000 0.465 215 K N 0.376 120.805 120.400 0.047 0.000 2.280 215 K HA -0.054 4.266 4.320 -0.000 0.000 0.202 215 K C 1.787 178.405 176.600 0.030 0.000 1.047 215 K CA 0.309 56.632 56.287 0.060 0.000 0.942 215 K CB -0.111 32.428 32.500 0.064 0.000 0.739 215 K HN -0.038 nan 8.250 nan 0.000 0.457 216 V N 1.330 121.250 119.914 0.010 0.000 2.270 216 V HA -0.274 3.846 4.120 -0.000 0.000 0.245 216 V C 1.665 177.714 176.094 -0.075 0.000 1.043 216 V CA 2.027 64.309 62.300 -0.031 0.000 1.014 216 V CB -0.648 31.159 31.823 -0.026 0.000 0.645 216 V HN 0.379 nan 8.190 nan 0.000 0.447 217 N N 0.762 119.428 118.700 -0.057 0.000 2.069 217 N HA -0.180 4.560 4.740 -0.000 0.000 0.191 217 N C 1.464 176.921 175.510 -0.088 0.000 1.031 217 N CA 1.780 54.786 53.050 -0.074 0.000 0.852 217 N CB -0.701 37.761 38.487 -0.043 0.000 1.018 217 N HN 0.480 nan 8.380 nan 0.000 0.423 218 D N 0.391 120.757 120.400 -0.056 0.000 2.178 218 D HA -0.061 4.579 4.640 -0.000 0.000 0.201 218 D C 1.842 177.989 176.300 -0.255 0.000 0.980 218 D CA 0.505 54.460 54.000 -0.076 0.000 0.842 218 D CB -0.034 40.801 40.800 0.058 0.000 0.948 218 D HN 0.284 nan 8.370 nan 0.000 0.472 219 I N 0.060 120.511 120.570 -0.198 0.000 2.494 219 I HA -0.101 4.069 4.170 -0.000 0.000 0.250 219 I C 2.262 178.299 176.117 -0.134 0.000 1.112 219 I CA 0.448 61.623 61.300 -0.208 0.000 1.438 219 I CB -0.470 37.505 38.000 -0.043 0.000 1.111 219 I HN -0.084 nan 8.210 nan 0.000 0.431 220 V N 1.262 121.069 119.914 -0.178 0.000 2.343 220 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 220 V C 2.288 178.264 176.094 -0.197 0.000 1.051 220 V CA 2.155 64.318 62.300 -0.229 0.000 1.036 220 V CB -0.675 30.968 31.823 -0.301 0.000 0.654 220 V HN 0.362 nan 8.190 nan 0.000 0.451 221 D N -0.285 120.006 120.400 -0.183 0.000 2.218 221 D HA -0.216 4.424 4.640 -0.000 0.000 0.204 221 D C 2.122 178.289 176.300 -0.221 0.000 0.976 221 D CA 1.105 55.006 54.000 -0.165 0.000 0.853 221 D CB -0.038 40.686 40.800 -0.126 0.000 0.939 221 D HN 0.425 nan 8.370 nan 0.000 0.481 222 Q N -0.585 119.029 119.800 -0.311 0.000 2.369 222 Q HA 0.025 4.365 4.340 -0.000 0.000 0.206 222 Q C 1.751 177.361 176.000 -0.650 0.000 0.963 222 Q CA 0.641 56.170 55.803 -0.457 0.000 0.894 222 Q CB 0.140 28.543 28.738 -0.557 0.000 0.965 222 Q HN 0.204 nan 8.270 nan 0.000 0.475 223 V N 0.095 119.709 119.914 -0.500 0.000 2.379 223 V HA -0.009 4.111 4.120 -0.000 0.000 0.243 223 V C 1.625 177.554 176.094 -0.275 0.000 1.035 223 V CA 0.933 62.956 62.300 -0.462 0.000 1.035 223 V CB -0.437 31.176 31.823 -0.350 0.000 0.673 223 V HN 0.433 nan 8.190 nan 0.000 0.457 231 K N 1.857 122.349 120.400 0.154 0.000 2.426 231 K HA 0.239 4.559 4.320 -0.000 0.000 0.193 231 K C 1.570 178.218 176.600 0.081 0.000 1.028 231 K CA 1.206 57.561 56.287 0.113 0.000 1.047 231 K CB 0.203 32.744 32.500 0.068 0.000 0.821 231 K HN 0.445 nan 8.250 nan 0.000 0.513 232 G N 0.291 109.133 108.800 0.069 0.000 2.880 232 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.209 232 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.209 232 G C -0.387 174.429 174.900 -0.141 0.000 1.157 232 G CA -0.238 44.829 45.100 -0.054 0.000 0.779 232 G HN 0.155 nan 8.290 nan 0.000 0.539 233 Y N -0.136 120.096 120.300 -0.114 0.000 2.336 233 Y HA 0.402 4.952 4.550 0.000 0.000 0.331 233 Y C 0.409 176.172 175.900 -0.228 0.000 1.211 233 Y CA -0.280 57.667 58.100 -0.255 0.000 1.346 233 Y CB 0.832 39.039 38.460 -0.421 0.000 1.271 233 Y HN 0.179 nan 8.280 nan 0.000 0.538 234 H N 2.773 121.691 119.070 -0.253 0.000 2.727 234 H HA 0.366 4.922 4.556 -0.000 0.000 0.330 234 H C -1.716 173.573 175.328 -0.066 0.000 0.986 234 H CA -0.879 55.100 56.048 -0.114 0.000 1.251 234 H CB 0.621 30.376 29.762 -0.012 0.000 1.493 234 H HN 0.616 nan 8.280 nan 0.000 0.515 235 Y N 4.689 125.317 120.300 0.546 0.000 2.342 235 Y HA 0.346 4.896 4.550 0.000 0.000 0.334 235 Y C 0.026 176.131 175.900 0.343 0.000 1.067 235 Y CA -0.796 57.531 58.100 0.379 0.000 1.128 235 Y CB 1.270 39.888 38.460 0.263 0.000 1.200 235 Y HN 0.455 nan 8.280 nan 0.000 0.464 236 I N 4.700 125.504 120.570 0.390 0.000 2.378 236 I HA 0.274 4.444 4.170 -0.000 0.000 0.291 236 I C -0.878 175.398 176.117 0.264 0.000 0.992 236 I CA -0.679 60.747 61.300 0.210 0.000 1.154 236 I CB 1.104 39.107 38.000 0.005 0.000 1.315 236 I HN 0.389 nan 8.210 nan 0.000 0.448 237 I N 5.898 126.632 120.570 0.273 0.000 2.301 237 I HA 0.227 4.397 4.170 -0.000 0.000 0.292 237 I C 0.856 177.177 176.117 0.340 0.000 1.046 237 I CA -0.269 61.204 61.300 0.288 0.000 1.282 237 I CB 1.037 39.237 38.000 0.333 0.000 1.409 237 I HN 0.586 nan 8.210 nan 0.000 0.484 238 A N 6.831 129.817 122.820 0.278 0.000 3.091 238 A HA 0.397 4.717 4.320 -0.000 0.000 0.264 238 A C 0.289 177.963 177.584 0.150 0.000 1.673 238 A CA -0.275 51.912 52.037 0.250 0.000 1.362 238 A CB -1.027 18.082 19.000 0.183 0.000 1.137 238 A HN 0.847 nan 8.150 nan 0.000 0.617 239 N N -1.321 117.493 118.700 0.190 0.000 2.853 239 N HA 0.389 5.129 4.740 -0.000 0.000 0.258 239 N C -0.459 175.029 175.510 -0.037 0.000 1.444 239 N CA -0.906 52.160 53.050 0.025 0.000 0.837 239 N CB 0.496 39.028 38.487 0.076 0.000 1.489 239 N HN -0.045 nan 8.380 nan 0.000 0.529 240 L N -0.985 119.979 121.223 -0.432 0.000 2.611 240 L HA 0.441 4.781 4.340 -0.000 0.000 0.229 240 L C 0.833 177.547 176.870 -0.260 0.000 1.137 240 L CA 0.154 54.747 54.840 -0.411 0.000 0.901 240 L CB 0.101 41.779 42.059 -0.636 0.000 1.098 240 L HN 0.872 nan 8.230 nan 0.000 0.456 241 G N -1.493 107.248 108.800 -0.099 0.000 5.001 241 G HA2 0.054 4.014 3.960 -0.000 0.000 0.304 241 G HA3 0.054 4.014 3.960 -0.000 0.000 0.304 241 G C 0.415 175.470 174.900 0.258 0.000 1.400 241 G CA -0.377 44.840 45.100 0.196 0.000 1.029 241 G HN 0.022 nan 8.290 nan 0.000 0.584 242 F N 2.080 122.094 119.950 0.106 0.000 2.087 242 F HA -0.180 4.347 4.527 0.000 0.000 0.299 242 F C 2.575 178.439 175.800 0.107 0.000 1.100 242 F CA 2.383 60.440 58.000 0.094 0.000 1.226 242 F CB 0.115 39.151 39.000 0.060 0.000 0.983 242 F HN 0.313 nan 8.300 nan 0.000 0.479 243 T N -2.401 112.259 114.554 0.175 0.000 3.206 243 T HA 0.140 4.490 4.350 -0.000 0.000 0.253 243 T C 0.076 174.834 174.700 0.098 0.000 1.042 243 T CA -0.393 61.744 62.100 0.063 0.000 0.931 243 T CB -0.725 68.252 68.868 0.182 0.000 1.029 243 T HN -0.050 nan 8.240 nan 0.000 0.564 244 D N 1.985 122.467 120.400 0.137 0.000 2.382 244 D HA 0.505 5.145 4.640 -0.000 0.000 0.245 244 D C 1.381 177.736 176.300 0.093 0.000 1.120 244 D CA 1.082 55.179 54.000 0.163 0.000 0.890 244 D CB 0.692 41.630 40.800 0.228 0.000 1.201 244 D HN 0.466 nan 8.370 nan 0.000 0.433 245 G N 3.065 111.923 108.800 0.096 0.000 2.591 245 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.278 245 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.278 245 G C 0.444 175.359 174.900 0.025 0.000 1.293 245 G CA 0.590 45.730 45.100 0.067 0.000 0.930 245 G HN 0.684 nan 8.290 nan 0.000 0.562 246 D N -0.235 120.174 120.400 0.015 0.000 2.319 246 D HA 0.284 4.924 4.640 -0.000 0.000 0.230 246 D C 2.104 178.385 176.300 -0.032 0.000 1.094 246 D CA 0.490 54.485 54.000 -0.008 0.000 0.856 246 D CB 0.294 41.094 40.800 0.001 0.000 0.915 246 D HN 0.513 nan 8.370 nan 0.000 0.517 247 L N 0.072 121.273 121.223 -0.036 0.000 2.113 247 L HA -0.187 4.153 4.340 -0.000 0.000 0.221 247 L C 1.126 177.927 176.870 -0.115 0.000 1.084 247 L CA 1.704 56.503 54.840 -0.069 0.000 0.787 247 L CB -0.225 41.786 42.059 -0.080 0.000 0.893 247 L HN 0.281 nan 8.230 nan 0.000 0.440 248 L N 0.161 121.299 121.223 -0.140 0.000 2.934 248 L HA 0.061 4.401 4.340 -0.000 0.000 0.233 248 L C 1.137 177.962 176.870 -0.075 0.000 1.358 248 L CA 0.049 54.801 54.840 -0.147 0.000 1.233 248 L CB -0.552 41.387 42.059 -0.201 0.000 1.594 248 L HN 0.187 nan 8.230 nan 0.000 0.439 249 K N 1.633 122.000 120.400 -0.054 0.000 2.627 249 K HA 0.274 4.594 4.320 -0.000 0.000 0.212 249 K C -0.233 176.363 176.600 -0.007 0.000 1.041 249 K CA 0.120 56.394 56.287 -0.022 0.000 1.205 249 K CB 0.136 32.625 32.500 -0.019 0.000 0.936 249 K HN 0.372 nan 8.250 nan 0.000 0.489 250 I N 1.014 121.581 120.570 -0.004 0.000 2.637 250 I HA 0.026 4.196 4.170 -0.000 0.000 0.285 250 I C 0.244 176.389 176.117 0.047 0.000 1.222 250 I CA -0.455 60.873 61.300 0.046 0.000 1.067 250 I CB 2.154 40.188 38.000 0.058 0.000 1.279 250 I HN 0.045 nan 8.210 nan 0.000 0.441 251 Q N 3.391 123.215 119.800 0.040 0.000 2.436 251 Q HA 0.027 4.367 4.340 -0.000 0.000 0.209 251 Q C 1.080 177.028 176.000 -0.085 0.000 0.965 251 Q CA 1.321 57.098 55.803 -0.043 0.000 0.910 251 Q CB 0.213 28.886 28.738 -0.108 0.000 0.980 251 Q HN 0.631 nan 8.270 nan 0.000 0.491 252 F N 0.199 120.151 119.950 0.004 0.000 2.743 252 F HA 0.134 4.661 4.527 -0.000 0.000 0.297 252 F C 1.464 177.271 175.800 0.011 0.000 1.131 252 F CA -0.084 57.920 58.000 0.008 0.000 1.426 252 F CB 0.175 39.177 39.000 0.003 0.000 1.116 252 F HN -0.069 nan 8.300 nan 0.000 0.583 253 G N 0.575 109.467 108.800 0.155 0.000 2.343 253 G HA2 0.349 4.309 3.960 -0.000 0.000 0.254 253 G HA3 0.349 4.309 3.960 -0.000 0.000 0.254 253 G C 0.513 175.467 174.900 0.091 0.000 1.277 253 G CA -0.169 44.993 45.100 0.103 0.000 0.909 253 G HN 0.321 nan 8.290 nan 0.000 0.502 254 G N 0.238 109.094 108.800 0.093 0.000 2.432 254 G HA2 0.628 4.588 3.960 -0.000 0.000 0.239 254 G HA3 0.628 4.588 3.960 -0.000 0.000 0.239 254 G C 0.322 175.294 174.900 0.119 0.000 1.291 254 G CA 0.814 45.968 45.100 0.089 0.000 0.863 254 G HN 2.092 nan 8.290 nan 0.000 0.560 255 A N 2.040 124.926 122.820 0.111 0.000 2.262 255 A HA 0.094 4.414 4.320 -0.000 0.000 0.636 255 A C -0.441 177.217 177.584 0.123 0.000 0.153 255 A CA -0.899 51.233 52.037 0.159 0.000 0.159 255 A CB -0.774 18.416 19.000 0.317 0.000 3.663 255 A HN 0.801 nan 8.150 nan 0.000 0.520 256 N N 0.486 119.193 118.700 0.012 0.000 2.475 256 N HA 0.467 5.207 4.740 -0.000 0.000 0.267 256 N C -0.364 175.185 175.510 0.065 0.000 1.169 256 N CA 0.130 53.086 53.050 -0.156 0.000 0.947 256 N CB 1.286 39.379 38.487 -0.656 0.000 1.061 256 N HN 0.744 nan 8.380 nan 0.000 0.466 257 V N 1.095 121.098 119.914 0.148 0.000 2.531 257 V HA 0.518 4.638 4.120 -0.000 0.000 0.301 257 V C -0.108 176.181 176.094 0.324 0.000 1.034 257 V CA -0.666 61.850 62.300 0.360 0.000 0.865 257 V CB 1.749 33.789 31.823 0.361 0.000 0.995 257 V HN 0.602 nan 8.190 nan 0.000 0.424 258 S N 1.846 117.719 115.700 0.289 0.000 2.634 258 S HA 1.010 5.480 4.470 -0.000 0.000 0.296 258 S C 0.190 174.588 174.600 -0.337 0.000 1.104 258 S CA -0.135 58.014 58.200 -0.084 0.000 0.920 258 S CB 2.263 65.515 63.200 0.087 0.000 1.111 258 S HN 1.301 nan 8.310 nan 0.000 0.493 259 G N 0.147 108.358 108.800 -0.982 0.000 2.494 259 G HA2 0.636 4.596 3.960 -0.000 0.000 0.308 259 G HA3 0.636 4.596 3.960 -0.000 0.000 0.308 259 G C -2.314 171.899 174.900 -1.146 0.000 1.263 259 G CA -0.614 43.947 45.100 -0.898 0.000 0.840 259 G HN 0.451 nan 8.290 nan 0.000 0.479 260 F N -0.510 119.359 119.950 -0.135 0.000 2.576 260 F HA 0.788 5.314 4.527 -0.000 0.000 0.313 260 F C -0.090 175.711 175.800 0.000 0.000 1.078 260 F CA -0.735 57.212 58.000 -0.089 0.000 0.921 260 F CB 2.922 41.866 39.000 -0.093 0.000 1.232 260 F HN 0.459 nan 8.300 nan 0.000 0.459 261 Q N 2.260 122.163 119.800 0.172 0.000 2.275 261 Q HA 0.445 4.785 4.340 -0.000 0.000 0.258 261 Q C -0.322 175.722 176.000 0.075 0.000 0.960 261 Q CA -0.323 55.555 55.803 0.126 0.000 0.801 261 Q CB 1.552 30.373 28.738 0.138 0.000 1.302 261 Q HN 0.728 nan 8.270 nan 0.000 0.433 262 I N 0.112 120.704 120.570 0.038 0.000 3.603 262 I HA 0.320 4.490 4.170 -0.000 0.000 0.297 262 I C -0.177 175.918 176.117 -0.037 0.000 1.269 262 I CA -0.113 61.196 61.300 0.015 0.000 1.361 262 I CB 0.673 38.671 38.000 -0.003 0.000 1.063 262 I HN 0.204 nan 8.210 nan 0.000 0.448 263 V N 3.377 123.234 119.914 -0.095 0.000 2.333 263 V HA 0.250 4.370 4.120 -0.000 0.000 0.274 263 V C -0.628 175.238 176.094 -0.381 0.000 1.028 263 V CA -0.345 61.790 62.300 -0.275 0.000 0.851 263 V CB 0.967 32.542 31.823 -0.413 0.000 1.000 263 V HN 0.186 nan 8.190 nan 0.000 0.456 264 D N 3.868 124.101 120.400 -0.280 0.000 2.396 264 D HA 0.201 4.841 4.640 -0.000 0.000 0.225 264 D C 0.407 176.590 176.300 -0.195 0.000 1.121 264 D CA -0.272 53.623 54.000 -0.176 0.000 0.853 264 D CB 0.973 41.733 40.800 -0.067 0.000 1.043 264 D HN 0.503 nan 8.370 nan 0.000 0.500 265 Y N 1.411 121.739 120.300 0.048 0.000 2.616 265 Y HA -0.038 4.512 4.550 -0.000 0.000 0.296 265 Y C 1.595 177.521 175.900 0.043 0.000 1.154 265 Y CA 0.376 58.505 58.100 0.048 0.000 1.325 265 Y CB 0.259 38.752 38.460 0.056 0.000 1.007 265 Y HN 0.365 nan 8.280 nan 0.000 0.542 266 D N -0.694 119.788 120.400 0.137 0.000 2.349 266 D HA -0.022 4.618 4.640 -0.000 0.000 0.215 266 D C -0.149 176.184 176.300 0.055 0.000 1.016 266 D CA 0.470 54.525 54.000 0.092 0.000 0.870 266 D CB -0.064 40.780 40.800 0.074 0.000 0.917 266 D HN 0.219 nan 8.370 nan 0.000 0.524 267 D N -0.311 120.108 120.400 0.032 0.000 2.345 267 D HA -0.003 4.637 4.640 -0.000 0.000 0.247 267 D C 1.314 177.633 176.300 0.032 0.000 1.108 267 D CA 0.014 54.022 54.000 0.014 0.000 0.894 267 D CB 1.719 42.510 40.800 -0.016 0.000 1.203 267 D HN -0.222 nan 8.370 nan 0.000 0.430 268 S N 2.188 117.906 115.700 0.030 0.000 2.370 268 S HA -0.175 4.295 4.470 -0.000 0.000 0.226 268 S C 1.869 176.503 174.600 0.056 0.000 1.033 268 S CA 0.937 59.162 58.200 0.041 0.000 1.011 268 S CB -0.236 62.984 63.200 0.032 0.000 0.852 268 S HN 0.545 nan 8.310 nan 0.000 0.457 269 L N 1.002 122.255 121.223 0.051 0.000 2.046 269 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 269 L C 2.277 179.203 176.870 0.093 0.000 1.077 269 L CA 1.450 56.334 54.840 0.074 0.000 0.747 269 L CB -0.298 41.796 42.059 0.059 0.000 0.896 269 L HN 0.249 nan 8.230 nan 0.000 0.432 270 V N -1.174 118.773 119.914 0.055 0.000 2.307 270 V HA -0.262 3.858 4.120 -0.000 0.000 0.245 270 V C 2.683 178.877 176.094 0.166 0.000 1.045 270 V CA 1.809 64.147 62.300 0.062 0.000 1.024 270 V CB -0.376 31.421 31.823 -0.044 0.000 0.651 270 V HN 0.553 nan 8.190 nan 0.000 0.449 271 S N -0.166 115.614 115.700 0.134 0.000 2.370 271 S HA -0.306 4.164 4.470 -0.000 0.000 0.226 271 S C 2.111 176.782 174.600 0.118 0.000 1.033 271 S CA 2.320 60.601 58.200 0.135 0.000 1.011 271 S CB -0.265 62.993 63.200 0.097 0.000 0.852 271 S HN 0.518 nan 8.310 nan 0.000 0.457 272 K N 0.579 121.045 120.400 0.110 0.000 2.057 272 K HA -0.054 4.266 4.320 -0.000 0.000 0.207 272 K C 1.760 178.420 176.600 0.100 0.000 1.049 272 K CA 1.730 58.072 56.287 0.091 0.000 0.931 272 K CB -0.934 31.620 32.500 0.090 0.000 0.714 272 K HN 0.469 nan 8.250 nan 0.000 0.440 273 F N 0.496 120.441 119.950 -0.008 0.000 2.095 273 F HA -0.162 4.365 4.527 -0.000 0.000 0.298 273 F C 1.523 177.319 175.800 -0.006 0.000 1.104 273 F CA 1.471 59.433 58.000 -0.063 0.000 1.232 273 F CB -0.246 38.644 39.000 -0.185 0.000 0.987 273 F HN -0.008 nan 8.300 nan 0.000 0.475 274 I N 1.066 121.685 120.570 0.082 0.000 2.394 274 I HA -0.228 3.942 4.170 -0.000 0.000 0.251 274 I C 2.222 178.334 176.117 -0.010 0.000 1.136 274 I CA 1.187 62.520 61.300 0.056 0.000 1.425 274 I CB -1.071 37.051 38.000 0.204 0.000 1.079 274 I HN 0.240 nan 8.210 nan 0.000 0.425 275 E N 0.031 120.226 120.200 -0.009 0.000 2.130 275 E HA -0.287 4.063 4.350 -0.000 0.000 0.196 275 E C 2.329 178.889 176.600 -0.067 0.000 0.998 275 E CA 1.272 57.657 56.400 -0.023 0.000 0.806 275 E CB -0.135 29.561 29.700 -0.007 0.000 0.738 275 E HN 0.437 nan 8.360 nan 0.000 0.459 276 R N 0.038 120.457 120.500 -0.134 0.000 2.075 276 R HA -0.070 4.270 4.340 -0.000 0.000 0.220 276 R C 2.232 178.417 176.300 -0.191 0.000 1.118 276 R CA 0.677 56.675 56.100 -0.170 0.000 0.986 276 R CB -0.250 29.922 30.300 -0.213 0.000 0.884 276 R HN 0.320 nan 8.270 nan 0.000 0.439 277 W N 2.030 123.002 121.300 -0.547 0.000 2.342 277 W HA -0.193 4.467 4.660 0.000 0.000 0.297 277 W C 1.715 178.098 176.519 -0.227 0.000 1.213 277 W CA 1.971 59.014 57.345 -0.503 0.000 1.251 277 W CB -0.224 28.811 29.460 -0.709 0.000 1.136 277 W HN 0.228 nan 8.180 nan 0.000 0.526 278 S N -0.384 115.295 115.700 -0.034 0.000 2.507 278 S HA -0.178 4.292 4.470 -0.000 0.000 0.235 278 S C 1.479 176.022 174.600 -0.095 0.000 0.988 278 S CA 1.657 59.802 58.200 -0.092 0.000 0.944 278 S CB -0.862 62.306 63.200 -0.053 0.000 0.762 278 S HN 0.321 nan 8.310 nan 0.000 0.526 279 T N -0.974 113.549 114.554 -0.051 0.000 3.023 279 T HA 0.421 4.771 4.350 -0.000 0.000 0.253 279 T C 0.521 175.241 174.700 0.033 0.000 1.038 279 T CA -0.540 61.581 62.100 0.034 0.000 0.962 279 T CB -0.438 68.420 68.868 -0.017 0.000 1.018 279 T HN 0.298 nan 8.240 nan 0.000 0.521 280 L N 2.092 123.265 121.223 -0.084 0.000 2.467 280 L HA 0.267 4.607 4.340 -0.000 0.000 0.270 280 L C 0.561 177.364 176.870 -0.112 0.000 1.205 280 L CA -0.450 54.311 54.840 -0.133 0.000 0.828 280 L CB 0.367 42.217 42.059 -0.349 0.000 1.101 280 L HN 0.200 nan 8.230 nan 0.000 0.479 281 E N 1.995 122.161 120.200 -0.056 0.000 2.290 281 E HA 0.008 4.358 4.350 -0.000 0.000 0.277 281 E C 0.606 177.133 176.600 -0.122 0.000 1.035 281 E CA 0.058 56.372 56.400 -0.143 0.000 0.873 281 E CB 1.064 30.708 29.700 -0.093 0.000 1.029 281 E HN 0.513 nan 8.360 nan 0.000 0.419 282 E N 2.301 122.379 120.200 -0.203 0.000 2.110 282 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 282 E C 1.637 178.182 176.600 -0.093 0.000 0.988 282 E CA 0.747 57.073 56.400 -0.123 0.000 0.804 282 E CB 0.195 29.829 29.700 -0.110 0.000 0.745 282 E HN 0.226 nan 8.360 nan 0.000 0.458 283 K N 1.313 121.648 120.400 -0.109 0.000 2.057 283 K HA -0.212 4.108 4.320 -0.000 0.000 0.207 283 K C 1.934 178.454 176.600 -0.134 0.000 1.049 283 K CA 1.416 57.643 56.287 -0.100 0.000 0.931 283 K CB -0.016 32.427 32.500 -0.095 0.000 0.714 283 K HN 0.156 nan 8.250 nan 0.000 0.440 284 E N -1.292 118.797 120.200 -0.185 0.000 2.122 284 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 284 E C -0.239 176.028 176.600 -0.555 0.000 0.977 284 E CA 0.576 56.752 56.400 -0.373 0.000 0.820 284 E CB 0.255 29.699 29.700 -0.426 0.000 0.770 284 E HN 0.175 nan 8.360 nan 0.000 0.462 285 Y N 0.818 121.039 120.300 -0.131 0.000 2.748 285 Y HA 0.357 4.907 4.550 -0.000 0.000 0.359 285 Y C -2.401 173.406 175.900 -0.156 0.000 1.030 285 Y CA -3.077 54.930 58.100 -0.155 0.000 1.169 285 Y CB 1.008 39.315 38.460 -0.255 0.000 1.127 285 Y HN 0.020 nan 8.280 nan 0.000 0.644 286 P HA 0.064 nan 4.420 nan 0.000 0.264 286 P C 1.053 178.396 177.300 0.072 0.000 1.183 286 P CA 1.662 64.783 63.100 0.035 0.000 0.763 286 P CB 0.779 32.512 31.700 0.055 0.000 0.807 287 G N 1.152 109.987 108.800 0.059 0.000 2.217 287 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.246 287 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.246 287 G C 0.500 175.440 174.900 0.067 0.000 0.990 287 G CA 0.196 45.378 45.100 0.138 0.000 0.627 287 G HN 0.843 nan 8.290 nan 0.000 0.522 288 A N -1.522 121.114 122.820 -0.306 0.000 2.951 288 A HA 0.743 5.063 4.320 -0.000 0.000 0.239 288 A C 1.089 178.418 177.584 -0.425 0.000 1.623 288 A CA 0.924 52.376 52.037 -0.975 0.000 0.868 288 A CB 0.070 18.060 19.000 -1.684 0.000 1.712 288 A HN 1.656 nan 8.150 nan 0.000 0.558 289 H N -0.852 117.842 119.070 -0.626 0.000 2.826 289 H HA -0.150 4.406 4.556 -0.000 0.000 0.306 289 H C -0.306 174.931 175.328 -0.151 0.000 1.235 289 H CA 0.870 56.741 56.048 -0.295 0.000 1.150 289 H CB -1.429 28.218 29.762 -0.191 0.000 1.409 289 H HN 1.096 nan 8.280 nan 0.000 0.420 290 T N -3.479 110.992 114.554 -0.139 0.000 2.865 290 T HA 0.387 4.737 4.350 -0.000 0.000 0.294 290 T C 1.184 175.957 174.700 0.121 0.000 1.119 290 T CA -0.198 61.905 62.100 0.005 0.000 1.007 290 T CB 1.771 70.725 68.868 0.144 0.000 1.225 290 T HN 0.154 nan 8.240 nan 0.000 0.515 291 T N -1.562 113.023 114.554 0.051 0.000 3.086 291 T HA 0.346 4.696 4.350 -0.000 0.000 0.250 291 T C 0.797 175.478 174.700 -0.032 0.000 1.074 291 T CA 0.414 62.529 62.100 0.025 0.000 0.988 291 T CB -0.733 68.097 68.868 -0.064 0.000 0.988 291 T HN 1.090 nan 8.240 nan 0.000 0.530 292 T N -0.615 113.977 114.554 0.065 0.000 2.887 292 T HA 0.766 5.116 4.350 -0.000 0.000 0.292 292 T C -1.055 173.810 174.700 0.275 0.000 1.087 292 T CA -1.044 61.085 62.100 0.049 0.000 1.009 292 T CB 2.178 71.017 68.868 -0.047 0.000 1.203 292 T HN 0.319 nan 8.240 nan 0.000 0.518 293 I N 0.144 120.890 120.570 0.292 0.000 2.656 293 I HA 0.461 4.631 4.170 -0.000 0.000 0.292 293 I C -0.821 175.391 176.117 0.158 0.000 1.144 293 I CA -1.038 60.339 61.300 0.128 0.000 1.038 293 I CB 2.021 39.864 38.000 -0.263 0.000 1.244 293 I HN 0.684 nan 8.210 nan 0.000 0.420 294 K N 5.578 126.068 120.400 0.151 0.000 2.414 294 K HA 0.033 4.353 4.320 -0.000 0.000 0.272 294 K C 0.438 177.096 176.600 0.096 0.000 0.993 294 K CA 0.167 56.543 56.287 0.147 0.000 0.964 294 K CB 0.591 33.154 32.500 0.106 0.000 0.925 294 K HN 0.650 nan 8.250 nan 0.000 0.487 295 Y N 0.428 120.787 120.300 0.097 0.000 2.274 295 Y HA -0.237 4.313 4.550 0.000 0.000 0.290 295 Y C 2.012 177.962 175.900 0.083 0.000 1.145 295 Y CA 1.628 59.764 58.100 0.061 0.000 1.203 295 Y CB -1.023 37.478 38.460 0.068 0.000 0.984 295 Y HN 0.685 nan 8.280 nan 0.000 0.533 296 T N -2.407 111.770 114.554 -0.628 0.000 2.821 296 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 296 T C 1.859 176.587 174.700 0.046 0.000 1.046 296 T CA 1.380 63.290 62.100 -0.317 0.000 1.139 296 T CB -0.874 67.843 68.868 -0.251 0.000 0.871 296 T HN 0.428 nan 8.240 nan 0.000 0.454 297 S N 2.062 117.799 115.700 0.061 0.000 2.368 297 S HA 0.175 4.645 4.470 -0.000 0.000 0.224 297 S C 2.667 177.294 174.600 0.045 0.000 1.029 297 S CA 0.795 59.078 58.200 0.138 0.000 0.988 297 S CB -0.807 62.467 63.200 0.123 0.000 0.838 297 S HN 0.748 nan 8.310 nan 0.000 0.462 298 A N 1.707 124.494 122.820 -0.055 0.000 1.908 298 A HA -0.019 4.301 4.320 -0.000 0.000 0.218 298 A C 2.094 179.685 177.584 0.013 0.000 1.181 298 A CA 1.185 53.143 52.037 -0.131 0.000 0.627 298 A CB -0.764 18.147 19.000 -0.149 0.000 0.818 298 A HN 0.458 nan 8.150 nan 0.000 0.445 299 L N -0.859 120.404 121.223 0.067 0.000 2.201 299 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 299 L C 2.687 179.643 176.870 0.144 0.000 1.105 299 L CA 1.506 56.404 54.840 0.097 0.000 0.775 299 L CB -0.725 41.393 42.059 0.098 0.000 0.913 299 L HN 0.348 nan 8.230 nan 0.000 0.440 300 T N -1.267 113.410 114.554 0.205 0.000 2.737 300 T HA -0.236 4.114 4.350 -0.000 0.000 0.265 300 T C 1.697 176.472 174.700 0.124 0.000 1.038 300 T CA 1.309 63.554 62.100 0.240 0.000 1.144 300 T CB -0.344 68.787 68.868 0.438 0.000 0.866 300 T HN 0.301 nan 8.240 nan 0.000 0.434 301 Y N 2.399 122.716 120.300 0.029 0.000 2.128 301 Y HA -0.217 4.333 4.550 -0.000 0.000 0.284 301 Y C 2.042 177.943 175.900 0.002 0.000 1.154 301 Y CA 1.666 59.776 58.100 0.016 0.000 1.149 301 Y CB -0.427 37.983 38.460 -0.083 0.000 0.976 301 Y HN 0.133 nan 8.280 nan 0.000 0.505 302 D N 0.079 120.510 120.400 0.053 0.000 2.144 302 D HA -0.173 4.467 4.640 -0.000 0.000 0.199 302 D C 2.272 178.496 176.300 -0.127 0.000 0.984 302 D CA 1.386 55.340 54.000 -0.077 0.000 0.834 302 D CB -0.615 40.188 40.800 0.005 0.000 0.955 302 D HN 0.502 nan 8.370 nan 0.000 0.465 303 A N 0.453 123.251 122.820 -0.037 0.000 1.972 303 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 303 A C 2.464 179.975 177.584 -0.123 0.000 1.169 303 A CA 1.121 53.155 52.037 -0.006 0.000 0.635 303 A CB -0.596 18.499 19.000 0.157 0.000 0.810 303 A HN 0.165 nan 8.150 nan 0.000 0.446 304 V N -0.171 119.601 119.914 -0.237 0.000 2.427 304 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 304 V C 2.657 178.515 176.094 -0.395 0.000 1.051 304 V CA 2.151 64.286 62.300 -0.276 0.000 1.048 304 V CB -0.773 30.866 31.823 -0.307 0.000 0.666 304 V HN 0.766 nan 8.190 nan 0.000 0.456 305 Q N -0.116 119.238 119.800 -0.742 0.000 2.084 305 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 305 Q C 2.285 177.989 176.000 -0.493 0.000 0.978 305 Q CA 2.061 57.185 55.803 -1.131 0.000 0.844 305 Q CB -0.073 27.806 28.738 -1.431 0.000 0.898 305 Q HN 0.508 nan 8.270 nan 0.000 0.426 306 V N 0.896 120.640 119.914 -0.284 0.000 2.295 306 V HA -0.320 3.800 4.120 -0.000 0.000 0.246 306 V C 2.373 178.406 176.094 -0.101 0.000 1.049 306 V CA 2.018 64.248 62.300 -0.116 0.000 1.024 306 V CB -0.501 31.333 31.823 0.019 0.000 0.648 306 V HN 0.459 nan 8.190 nan 0.000 0.447 307 M N 0.322 119.885 119.600 -0.062 0.000 2.086 307 M HA -0.161 4.319 4.480 -0.000 0.000 0.261 307 M C 2.468 178.844 176.300 0.127 0.000 1.067 307 M CA 2.345 57.672 55.300 0.046 0.000 1.116 307 M CB -0.891 31.818 32.600 0.181 0.000 1.348 307 M HN 0.660 nan 8.290 nan 0.000 0.407 308 T N -1.563 113.020 114.554 0.047 0.000 2.746 308 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 308 T C 1.549 176.269 174.700 0.032 0.000 1.039 308 T CA 1.764 63.913 62.100 0.081 0.000 1.142 308 T CB -0.453 68.425 68.868 0.017 0.000 0.866 308 T HN 0.357 nan 8.240 nan 0.000 0.444 309 E N 2.086 122.246 120.200 -0.068 0.000 2.077 309 E HA 0.023 4.373 4.350 -0.000 0.000 0.193 309 E C 2.326 178.874 176.600 -0.086 0.000 0.989 309 E CA 1.332 57.687 56.400 -0.075 0.000 0.800 309 E CB -0.864 28.774 29.700 -0.103 0.000 0.746 309 E HN 0.623 nan 8.360 nan 0.000 0.452 310 A N -0.187 122.549 122.820 -0.140 0.000 1.877 310 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 310 A C 2.031 179.447 177.584 -0.279 0.000 1.186 310 A CA 1.549 53.432 52.037 -0.256 0.000 0.620 310 A CB -0.970 17.785 19.000 -0.408 0.000 0.822 310 A HN 0.376 nan 8.150 nan 0.000 0.443 311 F N -0.360 119.554 119.950 -0.061 0.000 2.234 311 F HA -0.039 4.488 4.527 0.000 0.000 0.299 311 F C 2.391 178.102 175.800 -0.147 0.000 1.087 311 F CA 1.442 59.392 58.000 -0.083 0.000 1.340 311 F CB -0.366 38.611 39.000 -0.039 0.000 1.031 311 F HN 0.209 nan 8.300 nan 0.000 0.500 312 R N 0.550 121.056 120.500 0.011 0.000 2.096 312 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 312 R C 1.924 178.166 176.300 -0.096 0.000 1.127 312 R CA 1.642 57.684 56.100 -0.096 0.000 0.968 312 R CB -0.244 30.019 30.300 -0.063 0.000 0.861 312 R HN 0.159 nan 8.270 nan 0.000 0.440 313 N N 0.737 119.389 118.700 -0.080 0.000 2.188 313 N HA -0.123 4.617 4.740 -0.000 0.000 0.184 313 N C 1.821 177.282 175.510 -0.083 0.000 1.018 313 N CA 1.027 54.029 53.050 -0.080 0.000 0.858 313 N CB -0.163 38.274 38.487 -0.083 0.000 0.989 313 N HN 0.259 nan 8.380 nan 0.000 0.426 314 L N 0.832 122.002 121.223 -0.089 0.000 2.046 314 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 314 L C 2.453 179.283 176.870 -0.067 0.000 1.077 314 L CA 1.118 55.913 54.840 -0.075 0.000 0.747 314 L CB -0.222 41.801 42.059 -0.059 0.000 0.896 314 L HN 0.135 nan 8.230 nan 0.000 0.432 315 R N 0.113 120.558 120.500 -0.092 0.000 2.073 315 R HA -0.159 4.181 4.340 -0.000 0.000 0.234 315 R C 2.319 178.571 176.300 -0.079 0.000 1.134 315 R CA 1.259 57.289 56.100 -0.117 0.000 0.952 315 R CB -0.274 29.867 30.300 -0.264 0.000 0.850 315 R HN 0.323 nan 8.270 nan 0.000 0.433 316 K N 0.809 121.163 120.400 -0.077 0.000 2.103 316 K HA -0.205 4.115 4.320 -0.000 0.000 0.207 316 K C 1.957 178.535 176.600 -0.036 0.000 1.048 316 K CA 1.545 57.804 56.287 -0.048 0.000 0.930 316 K CB -0.027 32.446 32.500 -0.045 0.000 0.716 316 K HN 0.269 nan 8.250 nan 0.000 0.444 317 Q N 0.022 119.797 119.800 -0.042 0.000 2.444 317 Q HA 0.094 4.434 4.340 -0.000 0.000 0.206 317 Q C -0.405 175.577 176.000 -0.029 0.000 0.948 317 Q CA -0.062 55.719 55.803 -0.036 0.000 0.946 317 Q CB 0.527 29.238 28.738 -0.045 0.000 1.027 317 Q HN 0.101 nan 8.270 nan 0.000 0.513 318 R N -0.194 120.290 120.500 -0.027 0.000 3.651 318 R HA -0.186 4.154 4.340 -0.000 0.000 0.292 318 R C -0.881 175.409 176.300 -0.017 0.000 1.161 318 R CA 0.651 56.741 56.100 -0.015 0.000 0.787 318 R CB -2.776 27.521 30.300 -0.006 0.000 1.249 318 R HN 0.347 nan 8.270 nan 0.000 0.476 319 I N 1.742 122.295 120.570 -0.029 0.000 2.308 319 I HA 0.067 4.237 4.170 -0.000 0.000 0.293 319 I C 1.302 177.403 176.117 -0.026 0.000 1.078 319 I CA -0.035 61.245 61.300 -0.032 0.000 1.292 319 I CB 0.753 38.722 38.000 -0.051 0.000 1.423 319 I HN 0.012 nan 8.210 nan 0.000 0.493 320 E N 8.389 128.582 120.200 -0.011 0.000 2.344 320 E HA 0.284 4.634 4.350 -0.000 0.000 0.270 320 E C -0.723 175.874 176.600 -0.003 0.000 1.021 320 E CA -0.225 56.177 56.400 0.003 0.000 0.887 320 E CB 1.007 30.721 29.700 0.023 0.000 0.997 320 E HN 0.639 nan 8.360 nan 0.000 0.429 329 D N 0.401 120.932 120.400 0.219 0.000 2.414 329 D HA 0.407 5.047 4.640 -0.000 0.000 0.232 329 D C 1.344 177.827 176.300 0.306 0.000 1.070 329 D CA -0.453 53.682 54.000 0.226 0.000 0.839 329 D CB 1.038 41.907 40.800 0.115 0.000 1.079 329 D HN -0.092 nan 8.370 nan 0.000 0.521 330 c N 3.286 122.064 118.600 0.297 0.000 2.398 330 c HA -0.102 4.468 4.570 -0.000 0.000 0.276 330 c C 2.114 176.259 174.090 0.091 0.000 1.222 330 c CA 0.695 57.127 56.329 0.171 0.000 1.746 330 c CB -0.756 41.887 42.510 0.222 0.000 2.039 330 c HN 0.681 nan 8.230 nan 0.000 0.470 331 L N 0.734 122.015 121.223 0.095 0.000 2.653 331 L HA 0.260 4.600 4.340 -0.000 0.000 0.231 331 L C 1.138 178.026 176.870 0.030 0.000 1.153 331 L CA -0.316 54.552 54.840 0.048 0.000 0.933 331 L CB -0.791 41.300 42.059 0.054 0.000 1.175 331 L HN 0.229 nan 8.230 nan 0.000 0.473 332 A N 1.074 123.923 122.820 0.049 0.000 2.540 332 A HA 0.101 4.421 4.320 -0.000 0.000 0.239 332 A C 0.141 177.732 177.584 0.011 0.000 1.061 332 A CA 0.268 52.330 52.037 0.042 0.000 0.758 332 A CB -0.011 19.032 19.000 0.071 0.000 0.991 332 A HN 0.336 nan 8.150 nan 0.000 0.502 333 N N 2.332 121.036 118.700 0.008 0.000 2.399 333 N HA 0.557 5.297 4.740 -0.000 0.000 0.280 333 N C -2.687 172.823 175.510 0.000 0.000 1.008 333 N CA -1.170 51.877 53.050 -0.005 0.000 0.894 333 N CB 1.220 39.702 38.487 -0.008 0.000 1.273 333 N HN 0.500 nan 8.380 nan 0.000 0.486 334 P HA 0.372 nan 4.420 nan 0.000 0.274 334 P C -0.822 176.469 177.300 -0.015 0.000 1.237 334 P CA -0.649 62.442 63.100 -0.014 0.000 0.793 334 P CB 0.412 32.105 31.700 -0.012 0.000 0.977 335 A N 1.064 123.861 122.820 -0.038 0.000 2.546 335 A HA 0.237 4.557 4.320 -0.000 0.000 0.243 335 A C 0.017 177.585 177.584 -0.027 0.000 1.063 335 A CA -0.142 51.865 52.037 -0.050 0.000 0.757 335 A CB -0.361 18.577 19.000 -0.104 0.000 0.991 335 A HN 0.374 nan 8.150 nan 0.000 0.503 336 V N 6.762 126.686 119.914 0.018 0.000 2.259 336 V HA 0.228 4.348 4.120 -0.000 0.000 0.267 336 V C -2.083 174.058 176.094 0.078 0.000 1.051 336 V CA -1.204 61.126 62.300 0.049 0.000 0.830 336 V CB 0.570 32.447 31.823 0.089 0.000 1.080 336 V HN 0.812 nan 8.190 nan 0.000 0.467 337 P HA 0.005 nan 4.420 nan 0.000 0.269 337 P C -0.492 176.864 177.300 0.093 0.000 1.215 337 P CA -0.347 62.660 63.100 -0.155 0.000 0.780 337 P CB 0.464 31.745 31.700 -0.698 0.000 0.898 338 W N 3.260 124.570 121.300 0.016 0.000 2.446 338 W HA 0.286 4.945 4.660 -0.000 0.000 0.316 338 W C 1.206 177.781 176.519 0.094 0.000 1.376 338 W CA -0.057 57.352 57.345 0.106 0.000 1.300 338 W CB -0.242 29.339 29.460 0.201 0.000 1.351 338 W HN 0.620 nan 8.180 nan 0.000 0.530 339 G N 3.528 112.465 108.800 0.229 0.000 2.442 339 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.219 339 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.219 339 G C 1.042 175.834 174.900 -0.179 0.000 1.141 339 G CA 0.763 45.883 45.100 0.034 0.000 0.763 339 G HN 0.649 nan 8.290 nan 0.000 0.554 340 Q N 0.216 119.656 119.800 -0.599 0.000 2.403 340 Q HA 0.165 4.505 4.340 -0.000 0.000 0.203 340 Q C 2.578 178.064 176.000 -0.856 0.000 0.932 340 Q CA 0.195 55.586 55.803 -0.688 0.000 0.945 340 Q CB 0.253 28.609 28.738 -0.636 0.000 1.045 340 Q HN 0.433 nan 8.270 nan 0.000 0.511 341 G N 0.619 108.943 108.800 -0.793 0.000 2.469 341 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.219 341 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.219 341 G C 1.419 176.369 174.900 0.084 0.000 1.150 341 G CA 0.817 45.753 45.100 -0.274 0.000 0.763 341 G HN 0.248 nan 8.290 nan 0.000 0.561 342 V N 0.618 120.601 119.914 0.114 0.000 2.490 342 V HA -0.155 3.965 4.120 -0.000 0.000 0.250 342 V C 2.633 178.677 176.094 -0.083 0.000 1.061 342 V CA 2.107 64.440 62.300 0.054 0.000 1.064 342 V CB -0.405 31.444 31.823 0.042 0.000 0.670 342 V HN 0.490 nan 8.190 nan 0.000 0.461 343 E N -0.104 120.018 120.200 -0.130 0.000 2.106 343 E HA -0.150 4.199 4.350 -0.000 0.000 0.192 343 E C 2.190 178.689 176.600 -0.168 0.000 0.984 343 E CA 1.285 57.596 56.400 -0.148 0.000 0.806 343 E CB -0.125 29.481 29.700 -0.156 0.000 0.750 343 E HN 0.553 nan 8.360 nan 0.000 0.458 344 I N 1.091 121.552 120.570 -0.182 0.000 2.286 344 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 344 I C 2.669 178.691 176.117 -0.157 0.000 1.104 344 I CA 0.962 62.152 61.300 -0.184 0.000 1.397 344 I CB -0.189 37.757 38.000 -0.090 0.000 1.072 344 I HN 0.146 nan 8.210 nan 0.000 0.417 345 E N 1.537 121.684 120.200 -0.089 0.000 2.058 345 E HA -0.309 4.041 4.350 -0.000 0.000 0.194 345 E C 2.391 178.862 176.600 -0.214 0.000 0.997 345 E CA 1.423 57.727 56.400 -0.160 0.000 0.801 345 E CB -0.062 29.423 29.700 -0.357 0.000 0.746 345 E HN 0.324 nan 8.360 nan 0.000 0.450 346 R N 0.111 120.493 120.500 -0.196 0.000 2.073 346 R HA -0.138 4.202 4.340 -0.000 0.000 0.234 346 R C 2.294 178.502 176.300 -0.153 0.000 1.134 346 R CA 1.398 57.397 56.100 -0.168 0.000 0.952 346 R CB -0.361 29.855 30.300 -0.141 0.000 0.850 346 R HN 0.206 nan 8.270 nan 0.000 0.433 347 A N 1.164 123.881 122.820 -0.172 0.000 1.902 347 A HA -0.131 4.188 4.320 -0.000 0.000 0.217 347 A C 2.223 179.698 177.584 -0.183 0.000 1.181 347 A CA 1.265 53.195 52.037 -0.178 0.000 0.623 347 A CB -0.525 18.337 19.000 -0.230 0.000 0.818 347 A HN 0.358 nan 8.150 nan 0.000 0.443 348 L N -0.814 120.275 121.223 -0.223 0.000 2.017 348 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 348 L C 2.448 179.199 176.870 -0.198 0.000 1.073 348 L CA 1.783 56.486 54.840 -0.229 0.000 0.745 348 L CB -0.349 41.555 42.059 -0.258 0.000 0.894 348 L HN 0.310 nan 8.230 nan 0.000 0.432 349 K N -0.474 119.813 120.400 -0.188 0.000 2.365 349 K HA -0.115 4.205 4.320 -0.000 0.000 0.199 349 K C 1.840 178.476 176.600 0.061 0.000 1.045 349 K CA 0.679 56.906 56.287 -0.099 0.000 0.962 349 K CB 0.040 32.470 32.500 -0.118 0.000 0.759 349 K HN 0.403 nan 8.250 nan 0.000 0.469 350 Q N 0.411 120.211 119.800 0.000 0.000 2.392 350 Q HA 0.066 4.406 4.340 -0.000 0.000 0.203 350 Q C -0.166 175.852 176.000 0.030 0.000 0.917 350 Q CA -0.107 55.702 55.803 0.010 0.000 0.939 350 Q CB 0.672 29.388 28.738 -0.036 0.000 1.063 350 Q HN 0.003 nan 8.270 nan 0.000 0.516 351 V N 2.316 122.268 119.914 0.065 0.000 2.585 351 V HA -0.061 4.059 4.120 -0.000 0.000 0.296 351 V C 0.022 176.149 176.094 0.055 0.000 1.035 351 V CA 0.755 63.086 62.300 0.052 0.000 1.084 351 V CB 0.839 32.702 31.823 0.066 0.000 0.953 351 V HN 0.266 nan 8.190 nan 0.000 0.483 352 Q N 4.085 123.882 119.800 -0.005 0.000 2.337 352 Q HA 0.663 5.003 4.340 -0.000 0.000 0.264 352 Q C -1.057 174.916 176.000 -0.045 0.000 1.007 352 Q CA -0.457 55.324 55.803 -0.036 0.000 0.727 352 Q CB 2.350 31.067 28.738 -0.035 0.000 1.256 352 Q HN 0.717 nan 8.270 nan 0.000 0.467 353 V N -1.472 118.405 119.914 -0.062 0.000 3.188 353 V HA 0.583 4.703 4.120 -0.000 0.000 0.305 353 V C -0.929 175.131 176.094 -0.057 0.000 1.232 353 V CA -1.146 61.120 62.300 -0.057 0.000 1.043 353 V CB 2.562 34.339 31.823 -0.078 0.000 1.068 353 V HN 0.491 nan 8.190 nan 0.000 0.439 354 E N 1.036 121.216 120.200 -0.033 0.000 2.266 354 E HA 0.735 5.085 4.350 -0.000 0.000 0.277 354 E C 0.077 176.673 176.600 -0.006 0.000 1.018 354 E CA 0.206 56.592 56.400 -0.023 0.000 0.840 354 E CB 1.932 31.628 29.700 -0.006 0.000 1.082 354 E HN 1.175 nan 8.360 nan 0.000 0.395 355 G N 0.691 109.485 108.800 -0.010 0.000 2.975 355 G HA2 0.335 4.295 3.960 -0.000 0.000 0.291 355 G HA3 0.335 4.295 3.960 -0.000 0.000 0.291 355 G C 0.613 175.511 174.900 -0.003 0.000 1.334 355 G CA -0.695 44.417 45.100 0.020 0.000 0.843 355 G HN 0.430 nan 8.290 nan 0.000 0.548 356 L N 0.462 121.673 121.223 -0.020 0.000 2.191 356 L HA -0.035 4.305 4.340 -0.000 0.000 0.212 356 L C 2.514 179.315 176.870 -0.115 0.000 1.103 356 L CA 1.774 56.530 54.840 -0.139 0.000 0.769 356 L CB -0.216 41.654 42.059 -0.314 0.000 0.908 356 L HN 0.529 nan 8.230 nan 0.000 0.438 357 S N -0.877 114.786 115.700 -0.063 0.000 2.622 357 S HA 0.438 4.908 4.470 -0.000 0.000 0.236 357 S C 0.910 175.492 174.600 -0.031 0.000 0.956 357 S CA -0.029 58.146 58.200 -0.042 0.000 0.971 357 S CB 0.013 63.203 63.200 -0.016 0.000 0.782 357 S HN 0.578 nan 8.310 nan 0.000 0.468 358 G N 2.172 110.949 108.800 -0.038 0.000 2.499 358 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.232 358 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.232 358 G C -0.449 174.430 174.900 -0.034 0.000 1.251 358 G CA -0.284 44.799 45.100 -0.030 0.000 0.917 358 G HN 0.713 nan 8.290 nan 0.000 0.580 359 N N 0.406 119.088 118.700 -0.031 0.000 2.475 359 N HA 0.432 5.172 4.740 -0.000 0.000 0.267 359 N C -0.308 175.156 175.510 -0.077 0.000 1.169 359 N CA -0.205 52.815 53.050 -0.050 0.000 0.947 359 N CB 0.191 38.648 38.487 -0.050 0.000 1.061 359 N HN 0.539 nan 8.380 nan 0.000 0.466 360 I N 3.043 123.537 120.570 -0.128 0.000 2.362 360 I HA 0.420 4.590 4.170 -0.000 0.000 0.289 360 I C 0.094 176.011 176.117 -0.332 0.000 0.994 360 I CA -0.493 60.654 61.300 -0.254 0.000 1.158 360 I CB 0.687 38.559 38.000 -0.213 0.000 1.315 360 I HN 0.556 nan 8.210 nan 0.000 0.451 361 K N 5.439 125.534 120.400 -0.509 0.000 2.546 361 K HA 0.650 4.970 4.320 -0.000 0.000 0.264 361 K C -2.011 174.255 176.600 -0.556 0.000 0.937 361 K CA -0.478 55.577 56.287 -0.387 0.000 0.833 361 K CB 1.783 34.184 32.500 -0.164 0.000 1.378 361 K HN 0.184 nan 8.250 nan 0.000 0.432 362 F N 1.703 121.657 119.950 0.006 0.000 2.546 362 F HA 0.273 4.800 4.527 -0.000 0.000 0.320 362 F C 0.399 176.198 175.800 -0.001 0.000 1.076 362 F CA -0.597 57.409 58.000 0.011 0.000 0.928 362 F CB 1.439 40.435 39.000 -0.007 0.000 1.189 362 F HN 0.623 nan 8.300 nan 0.000 0.465 363 D N 0.130 120.648 120.400 0.197 0.000 2.478 363 D HA 0.066 4.705 4.640 -0.000 0.000 0.269 363 D C 0.680 177.015 176.300 0.058 0.000 1.232 363 D CA -0.397 53.659 54.000 0.094 0.000 1.059 363 D CB 0.416 41.255 40.800 0.064 0.000 1.104 363 D HN 0.579 nan 8.370 nan 0.000 0.566 364 Q N -1.017 118.781 119.800 -0.003 0.000 2.436 364 Q HA -0.123 4.217 4.340 -0.000 0.000 0.209 364 Q C 0.449 176.392 176.000 -0.095 0.000 0.965 364 Q CA 0.636 56.407 55.803 -0.054 0.000 0.910 364 Q CB -0.078 28.620 28.738 -0.067 0.000 0.980 364 Q HN 0.445 nan 8.270 nan 0.000 0.491 365 N N -0.734 117.916 118.700 -0.083 0.000 2.268 365 N HA 0.067 4.807 4.740 -0.000 0.000 0.204 365 N C 0.251 175.699 175.510 -0.103 0.000 1.124 365 N CA 0.779 53.725 53.050 -0.173 0.000 0.838 365 N CB 0.376 38.721 38.487 -0.236 0.000 0.994 365 N HN 0.314 nan 8.380 nan 0.000 0.489 366 G N 0.460 109.260 108.800 0.001 0.000 2.143 366 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.248 366 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.248 366 G C -0.350 174.708 174.900 0.262 0.000 0.991 366 G CA 0.118 45.249 45.100 0.052 0.000 0.689 366 G HN 0.189 nan 8.290 nan 0.000 0.522 367 K N 0.436 121.004 120.400 0.281 0.000 2.130 367 K HA 0.443 4.763 4.320 -0.000 0.000 0.268 367 K C 0.825 177.617 176.600 0.321 0.000 0.983 367 K CA -0.887 55.579 56.287 0.299 0.000 0.893 367 K CB 0.851 33.473 32.500 0.204 0.000 1.066 367 K HN 0.177 nan 8.250 nan 0.000 0.450 368 R N 2.536 123.172 120.500 0.226 0.000 2.522 368 R HA 0.182 4.522 4.340 -0.000 0.000 0.284 368 R C 0.653 177.104 176.300 0.252 0.000 1.032 368 R CA 0.091 56.221 56.100 0.049 0.000 1.049 368 R CB -0.397 29.833 30.300 -0.117 0.000 0.956 368 R HN 0.694 nan 8.270 nan 0.000 0.422 369 I N -1.514 119.160 120.570 0.174 0.000 3.042 369 I HA 0.349 4.519 4.170 -0.000 0.000 0.310 369 I C -0.239 175.912 176.117 0.056 0.000 1.117 369 I CA -1.186 60.210 61.300 0.161 0.000 1.003 369 I CB 1.969 40.001 38.000 0.054 0.000 1.228 369 I HN 0.567 nan 8.210 nan 0.000 0.443 370 N N 0.798 119.435 118.700 -0.105 0.000 2.735 370 N HA -0.265 4.475 4.740 -0.000 0.000 0.248 370 N C -1.134 174.320 175.510 -0.093 0.000 1.083 370 N CA 1.167 54.130 53.050 -0.145 0.000 0.703 370 N CB -1.474 36.956 38.487 -0.095 0.000 1.005 370 N HN 0.726 nan 8.380 nan 0.000 0.550 371 Y N -2.526 117.757 120.300 -0.029 0.000 2.453 371 Y HA 0.781 5.331 4.550 -0.000 0.000 0.326 371 Y C 0.328 176.253 175.900 0.042 0.000 1.186 371 Y CA -0.956 57.137 58.100 -0.012 0.000 1.200 371 Y CB 1.148 39.610 38.460 0.002 0.000 1.247 371 Y HN -0.150 nan 8.280 nan 0.000 0.482 372 T N 4.245 118.921 114.554 0.205 0.000 2.829 372 T HA 0.508 4.858 4.350 -0.000 0.000 0.280 372 T C -0.943 173.944 174.700 0.311 0.000 0.999 372 T CA -0.532 61.672 62.100 0.174 0.000 0.983 372 T CB 0.924 69.792 68.868 -0.000 0.000 0.968 372 T HN 0.437 nan 8.240 nan 0.000 0.446 373 I N 3.787 124.594 120.570 0.396 0.000 2.362 373 I HA 0.339 4.509 4.170 -0.000 0.000 0.289 373 I C 0.089 176.384 176.117 0.298 0.000 0.994 373 I CA -1.188 60.308 61.300 0.326 0.000 1.158 373 I CB 1.204 39.399 38.000 0.324 0.000 1.315 373 I HN 0.508 nan 8.210 nan 0.000 0.451 374 N N 6.480 125.289 118.700 0.181 0.000 2.513 374 N HA 0.309 5.049 4.740 -0.000 0.000 0.268 374 N C -0.237 175.318 175.510 0.076 0.000 1.180 374 N CA -0.004 53.127 53.050 0.135 0.000 0.948 374 N CB 1.153 39.687 38.487 0.079 0.000 1.083 374 N HN 0.415 nan 8.380 nan 0.000 0.455 375 I N 3.201 123.769 120.570 -0.005 0.000 2.321 375 I HA 0.222 4.392 4.170 -0.000 0.000 0.291 375 I C 0.322 176.290 176.117 -0.249 0.000 0.998 375 I CA -0.505 60.679 61.300 -0.193 0.000 1.227 375 I CB 0.732 38.595 38.000 -0.229 0.000 1.368 375 I HN 0.161 nan 8.210 nan 0.000 0.466 376 M N 4.973 124.307 119.600 -0.443 0.000 2.649 376 M HA 0.574 5.054 4.480 -0.000 0.000 0.294 376 M C -0.276 175.774 176.300 -0.416 0.000 1.206 376 M CA -0.561 54.469 55.300 -0.449 0.000 0.928 376 M CB 1.186 33.337 32.600 -0.749 0.000 1.571 376 M HN 0.461 nan 8.290 nan 0.000 0.501 377 E N 0.498 120.567 120.200 -0.219 0.000 2.372 377 E HA 0.423 4.773 4.350 -0.000 0.000 0.279 377 E C -1.820 174.824 176.600 0.074 0.000 0.946 377 E CA -0.903 55.461 56.400 -0.060 0.000 0.769 377 E CB 3.382 33.089 29.700 0.011 0.000 1.230 377 E HN 0.426 nan 8.360 nan 0.000 0.442 378 L N 2.347 123.637 121.223 0.112 0.000 2.326 378 L HA 0.436 4.776 4.340 -0.000 0.000 0.278 378 L C -0.568 176.331 176.870 0.049 0.000 1.092 378 L CA 0.487 55.411 54.840 0.140 0.000 0.810 378 L CB 0.588 42.735 42.059 0.148 0.000 1.153 378 L HN 0.469 nan 8.230 nan 0.000 0.439 379 K N 1.311 121.727 120.400 0.026 0.000 2.482 379 K HA 0.326 4.646 4.320 -0.000 0.000 0.257 379 K C 0.904 177.447 176.600 -0.095 0.000 0.969 379 K CA 0.111 56.383 56.287 -0.025 0.000 0.842 379 K CB 1.862 34.356 32.500 -0.010 0.000 1.359 379 K HN 0.752 nan 8.250 nan 0.000 0.441 380 T N -0.241 114.228 114.554 -0.141 0.000 2.685 380 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 380 T C 1.112 175.588 174.700 -0.374 0.000 1.034 380 T CA 1.581 63.493 62.100 -0.312 0.000 1.149 380 T CB -0.294 68.417 68.868 -0.261 0.000 0.860 380 T HN 0.527 nan 8.240 nan 0.000 0.449 381 N N 1.820 120.403 118.700 -0.196 0.000 2.412 381 N HA 0.377 5.117 4.740 -0.000 0.000 0.184 381 N C 0.994 176.455 175.510 -0.082 0.000 1.101 381 N CA 0.820 53.788 53.050 -0.137 0.000 0.881 381 N CB 0.800 39.247 38.487 -0.067 0.000 0.969 381 N HN 0.824 nan 8.380 nan 0.000 0.459 382 G N 0.116 108.878 108.800 -0.063 0.000 2.340 382 G HA2 0.024 3.984 3.960 -0.000 0.000 0.282 382 G HA3 0.024 3.984 3.960 -0.000 0.000 0.282 382 G C -3.255 171.673 174.900 0.048 0.000 1.312 382 G CA -0.893 44.199 45.100 -0.012 0.000 0.942 382 G HN -0.114 nan 8.290 nan 0.000 0.495 383 P HA 0.660 nan 4.420 nan 0.000 0.284 383 P C -0.823 176.562 177.300 0.142 0.000 1.258 383 P CA -0.283 62.943 63.100 0.210 0.000 0.824 383 P CB 1.579 33.486 31.700 0.345 0.000 1.038 384 R N 0.122 120.692 120.500 0.115 0.000 2.710 384 R HA 0.398 4.738 4.340 -0.000 0.000 0.270 384 R C -0.500 175.822 176.300 0.035 0.000 1.021 384 R CA -1.014 55.129 56.100 0.071 0.000 0.889 384 R CB 2.307 32.637 30.300 0.050 0.000 1.243 384 R HN 0.386 nan 8.270 nan 0.000 0.464 385 K N 2.910 123.328 120.400 0.030 0.000 2.276 385 K HA 0.210 4.530 4.320 -0.000 0.000 0.285 385 K C 0.727 177.326 176.600 -0.001 0.000 1.062 385 K CA -0.173 56.120 56.287 0.009 0.000 0.918 385 K CB 0.568 33.091 32.500 0.040 0.000 1.055 385 K HN 0.694 nan 8.250 nan 0.000 0.477 386 I N 0.395 120.940 120.570 -0.041 0.000 4.057 386 I HA 0.413 4.583 4.170 -0.000 0.000 0.334 386 I C 0.555 176.620 176.117 -0.087 0.000 1.308 386 I CA -0.297 60.975 61.300 -0.048 0.000 1.125 386 I CB 0.713 38.681 38.000 -0.054 0.000 1.034 386 I HN 0.687 nan 8.210 nan 0.000 0.401 387 G N 0.837 109.592 108.800 -0.076 0.000 2.325 387 G HA2 0.389 4.349 3.960 -0.000 0.000 0.295 387 G HA3 0.389 4.349 3.960 -0.000 0.000 0.295 387 G C -1.948 172.970 174.900 0.030 0.000 1.274 387 G CA -0.205 44.835 45.100 -0.099 0.000 0.857 387 G HN 0.374 nan 8.290 nan 0.000 0.499 388 Y N -3.081 117.187 120.300 -0.053 0.000 2.655 388 Y HA 0.821 5.371 4.550 0.000 0.000 0.336 388 Y C -1.526 174.424 175.900 0.085 0.000 1.154 388 Y CA -2.203 55.912 58.100 0.024 0.000 1.055 388 Y CB 1.584 40.053 38.460 0.016 0.000 1.295 388 Y HN 0.865 nan 8.280 nan 0.000 0.465 389 W N 2.391 123.775 121.300 0.141 0.000 2.883 389 W HA 0.743 5.403 4.660 -0.000 0.000 0.335 389 W C -1.343 175.213 176.519 0.062 0.000 1.083 389 W CA -0.562 56.805 57.345 0.037 0.000 1.233 389 W CB 2.257 31.734 29.460 0.027 0.000 1.412 389 W HN 0.882 nan 8.180 nan 0.000 0.490 390 S N 2.159 117.491 115.700 -0.614 0.000 2.632 390 S HA 0.390 4.860 4.470 -0.000 0.000 0.289 390 S C 0.316 173.976 174.600 -1.567 0.000 1.115 390 S CA -0.741 56.989 58.200 -0.783 0.000 0.889 390 S CB 2.092 65.055 63.200 -0.396 0.000 1.116 390 S HN 0.677 nan 8.310 nan 0.000 0.486 391 E N 0.559 120.111 120.200 -1.079 0.000 2.077 391 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 391 E C 2.047 178.316 176.600 -0.551 0.000 0.989 391 E CA 1.541 57.487 56.400 -0.757 0.000 0.800 391 E CB -0.718 28.809 29.700 -0.289 0.000 0.746 391 E HN 0.610 nan 8.360 nan 0.000 0.452 392 V N 0.075 119.726 119.914 -0.439 0.000 2.358 392 V HA -0.162 3.958 4.120 -0.000 0.000 0.246 392 V C 1.267 177.182 176.094 -0.299 0.000 1.047 392 V CA 1.967 64.094 62.300 -0.289 0.000 1.035 392 V CB -0.264 31.431 31.823 -0.213 0.000 0.658 392 V HN 0.002 nan 8.190 nan 0.000 0.452 393 D N -1.454 118.716 120.400 -0.383 0.000 2.379 393 D HA 0.181 4.821 4.640 -0.000 0.000 0.208 393 D C 0.958 177.019 176.300 -0.399 0.000 1.065 393 D CA 0.051 53.863 54.000 -0.312 0.000 0.848 393 D CB 0.332 40.998 40.800 -0.225 0.000 0.949 393 D HN 0.357 nan 8.370 nan 0.000 0.509 394 K N -0.061 119.927 120.400 -0.687 0.000 1.939 394 K HA -0.280 4.040 4.320 -0.000 0.000 0.165 394 K C 0.471 176.744 176.600 -0.545 0.000 1.508 394 K CA 0.743 56.564 56.287 -0.776 0.000 0.525 394 K CB -1.563 30.817 32.500 -0.201 0.000 0.615 394 K HN 0.271 nan 8.250 nan 0.000 0.888 395 M N 1.779 121.288 119.600 -0.152 0.000 2.146 395 M HA 0.312 4.792 4.480 -0.000 0.000 0.357 395 M C -0.911 175.209 176.300 -0.300 0.000 1.261 395 M CA -0.398 54.820 55.300 -0.137 0.000 1.106 395 M CB 0.917 33.477 32.600 -0.066 0.000 1.612 395 M HN 0.231 nan 8.290 nan 0.000 0.470 396 V N 6.078 125.683 119.914 -0.514 0.000 2.444 396 V HA 0.393 4.513 4.120 -0.000 0.000 0.294 396 V C -0.469 175.311 176.094 -0.523 0.000 1.022 396 V CA -0.898 61.054 62.300 -0.581 0.000 0.850 396 V CB 1.663 32.929 31.823 -0.928 0.000 0.992 396 V HN 0.666 nan 8.190 nan 0.000 0.426 397 V N 4.249 123.984 119.914 -0.298 0.000 2.498 397 V HA 0.276 4.396 4.120 -0.000 0.000 0.279 397 V C 0.886 176.911 176.094 -0.114 0.000 1.048 397 V CA 0.017 62.197 62.300 -0.201 0.000 0.967 397 V CB 1.385 33.162 31.823 -0.078 0.000 0.988 397 V HN 0.968 nan 8.190 nan 0.000 0.473 398 T N 0.000 114.515 114.554 -0.065 0.000 3.816 398 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 398 T CA 0.000 62.105 62.100 0.008 0.000 1.349 398 T CB 0.000 68.893 68.868 0.041 0.000 0.612 398 T HN 0.000 nan 8.240 nan 0.000 0.658