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_A 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 0.210 0.000 1.341 26 S N -0.144 115.610 115.700 0.089 0.000 2.562 26 S HA 0.482 4.952 4.470 0.001 0.000 0.281 26 S C 0.235 174.892 174.600 0.095 0.000 1.333 26 S CA -0.372 57.874 58.200 0.077 0.000 1.052 26 S CB 0.661 63.883 63.200 0.037 0.000 0.884 26 S HN 0.273 nan 8.310 nan 0.000 0.506 27 I N 3.089 123.689 120.570 0.050 0.000 2.312 27 I HA 0.222 4.393 4.170 0.001 0.000 0.290 27 I C 0.137 176.238 176.117 -0.027 0.000 1.008 27 I CA -0.284 61.030 61.300 0.023 0.000 1.226 27 I CB 1.276 39.105 38.000 -0.286 0.000 1.371 27 I HN 0.554 nan 8.210 nan 0.000 0.468 28 Q N 7.083 126.826 119.800 -0.096 0.000 2.293 28 Q HA 0.413 4.754 4.340 0.001 0.000 0.263 28 Q C -0.226 175.765 176.000 -0.016 0.000 1.002 28 Q CA -0.031 55.734 55.803 -0.064 0.000 0.910 28 Q CB 1.463 30.094 28.738 -0.179 0.000 1.185 28 Q HN 0.582 nan 8.270 nan 0.000 0.401 29 I N -1.800 118.845 120.570 0.125 0.000 2.934 29 I HA 0.791 4.961 4.170 0.001 0.000 0.306 29 I C -0.098 176.177 176.117 0.262 0.000 1.110 29 I CA -1.122 60.297 61.300 0.199 0.000 1.019 29 I CB 1.603 39.756 38.000 0.255 0.000 1.227 29 I HN 0.445 nan 8.210 nan 0.000 0.434 30 G N 0.959 109.890 108.800 0.218 0.000 2.412 30 G HA2 0.659 4.620 3.960 0.001 0.000 0.318 30 G HA3 0.659 4.620 3.960 0.001 0.000 0.318 30 G C -0.541 174.495 174.900 0.227 0.000 1.146 30 G CA -0.688 44.532 45.100 0.200 0.000 0.882 30 G HN 1.140 nan 8.290 nan 0.000 0.501 31 G N -0.204 108.729 108.800 0.221 0.000 2.683 31 G HA2 0.495 4.456 3.960 0.001 0.000 0.299 31 G HA3 0.495 4.456 3.960 0.001 0.000 0.299 31 G C -1.352 173.671 174.900 0.205 0.000 1.432 31 G CA -0.419 44.822 45.100 0.235 0.000 0.978 31 G HN 0.451 nan 8.290 nan 0.000 0.513 32 L N 2.734 123.976 121.223 0.031 0.000 2.301 32 L HA 0.540 4.881 4.340 0.001 0.000 0.278 32 L C -0.846 176.025 176.870 0.003 0.000 1.022 32 L CA -0.629 54.259 54.840 0.081 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 4.515 124.490 119.950 0.042 0.000 2.443 33 F HA 0.542 5.069 4.527 0.001 0.000 0.335 33 F C -1.792 173.940 175.800 -0.114 0.000 1.104 33 F CA -2.204 55.774 58.000 -0.038 0.000 1.013 33 F CB 1.382 40.308 39.000 -0.124 0.000 1.136 33 F HN 0.338 nan 8.300 nan 0.000 0.470 34 P HA 0.069 nan 4.420 nan 0.000 0.268 34 P C -0.635 176.647 177.300 -0.031 0.000 1.205 34 P CA -0.238 62.814 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 2.131 122.625 120.500 -0.009 0.000 2.585 35 R HA 0.240 4.580 4.340 0.001 0.000 0.275 35 R C 1.367 177.660 176.300 -0.013 0.000 1.018 35 R CA 1.019 57.113 56.100 -0.009 0.000 1.072 35 R CB -0.690 29.610 30.300 0.000 0.000 0.953 35 R HN 0.911 nan 8.270 nan 0.000 0.419 36 G N 1.219 110.014 108.800 -0.008 0.000 2.179 36 G HA2 -0.340 3.621 3.960 0.001 0.000 0.260 36 G HA3 -0.340 3.621 3.960 0.001 0.000 0.260 36 G C 0.401 175.311 174.900 0.016 0.000 0.977 36 G CA 0.114 45.218 45.100 0.006 0.000 0.641 36 G HN 0.781 nan 8.290 nan 0.000 0.533 37 A N 0.502 123.325 122.820 0.005 0.000 3.074 37 A HA 0.504 4.824 4.320 0.001 0.000 0.251 37 A C 1.490 179.155 177.584 0.134 0.000 1.695 37 A CA 0.961 53.015 52.037 0.029 0.000 1.343 37 A CB -0.204 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 -0.024 120.451 120.400 0.125 0.000 2.097 38 D HA -0.199 4.442 4.640 0.001 0.000 0.195 38 D C 1.848 178.297 176.300 0.248 0.000 0.989 38 D CA 1.535 55.635 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 4.166 4.340 0.001 0.000 0.201 39 Q C 1.684 177.943 176.000 0.432 0.000 0.972 39 Q CA 1.184 57.206 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 -0.377 120.057 120.200 0.390 0.000 2.077 40 E HA -0.205 4.146 4.350 0.001 0.000 0.193 40 E C 1.528 178.518 176.600 0.649 0.000 0.989 40 E CA 1.278 57.989 56.400 0.520 0.000 0.800 40 E CB -0.353 29.682 29.700 0.557 0.000 0.746 40 E HN 0.400 nan 8.360 nan 0.000 0.452 41 Y N 1.074 121.566 120.300 0.319 0.000 2.242 41 Y HA -0.164 4.387 4.550 0.001 0.000 0.291 41 Y C 2.215 178.274 175.900 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 -0.062 nan 8.280 nan 0.000 0.527 42 S N 0.215 116.071 115.700 0.260 0.000 2.370 42 S HA -0.220 4.251 4.470 0.001 0.000 0.226 42 S C 2.302 177.194 174.600 0.488 0.000 1.033 42 S CA 1.200 59.605 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 0.725 123.894 122.820 0.582 0.000 1.930 43 A HA -0.042 4.279 4.320 0.001 0.000 0.217 43 A C 1.870 179.735 177.584 0.468 0.000 1.175 43 A CA 1.223 53.573 52.037 0.522 0.000 0.627 43 A CB -0.815 18.373 19.000 0.313 0.000 0.815 43 A HN 0.488 nan 8.150 nan 0.000 0.443 44 F N 0.737 120.846 119.950 0.264 0.000 2.095 44 F HA -0.210 4.318 4.527 0.001 0.000 0.298 44 F C 2.394 178.253 175.800 0.099 0.000 1.104 44 F CA 2.129 60.224 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 -0.406 120.177 120.500 0.138 0.000 2.092 45 R HA -0.113 4.228 4.340 0.001 0.000 0.231 45 R C 2.117 178.494 176.300 0.127 0.000 1.119 45 R CA 1.513 57.644 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 0.226 120.267 119.914 0.212 0.000 2.407 46 V HA -0.159 3.961 4.120 0.001 0.000 0.248 46 V C 2.332 178.565 176.094 0.231 0.000 1.055 46 V CA 2.082 64.485 62.300 0.171 0.000 1.049 46 V CB -0.888 31.067 31.823 0.220 0.000 0.662 46 V HN 0.559 nan 8.190 nan 0.000 0.455 47 G N -0.727 108.247 108.800 0.290 0.000 2.418 47 G HA2 -0.269 3.691 3.960 0.001 0.000 0.217 47 G HA3 -0.269 3.691 3.960 0.001 0.000 0.217 47 G C 1.623 176.515 174.900 -0.014 0.000 1.158 47 G CA 1.014 46.160 45.100 0.077 0.000 0.771 47 G HN 0.407 nan 8.290 nan 0.000 0.545 48 M N 0.003 119.535 119.600 -0.114 0.000 2.159 48 M HA -0.058 4.423 4.480 0.001 0.000 0.263 48 M C 2.669 178.946 176.300 -0.038 0.000 1.063 48 M CA 0.852 56.085 55.300 -0.112 0.000 1.110 48 M CB -0.220 32.269 32.600 -0.186 0.000 1.374 48 M HN 0.137 nan 8.290 nan 0.000 0.411 49 V N 0.023 119.922 119.914 -0.025 0.000 2.307 49 V HA -0.266 3.854 4.120 0.001 0.000 0.245 49 V C 2.273 178.321 176.094 -0.077 0.000 1.045 49 V CA 2.042 64.329 62.300 -0.022 0.000 1.024 49 V CB -0.716 31.111 31.823 0.007 0.000 0.651 49 V HN 0.456 nan 8.190 nan 0.000 0.449 50 Q N -0.054 119.642 119.800 -0.173 0.000 2.119 50 Q HA -0.126 4.215 4.340 0.001 0.000 0.201 50 Q C 1.558 177.286 176.000 -0.453 0.000 0.972 50 Q CA 2.106 57.679 55.803 -0.383 0.000 0.847 50 Q CB -0.194 28.177 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 0.001 0.000 0.303 51 F C 0.732 176.523 175.800 -0.016 0.000 1.091 51 F CA -0.054 57.915 58.000 -0.052 0.000 1.300 51 F CB 0.008 38.936 39.000 -0.120 0.000 1.071 51 F HN -0.042 nan 8.300 nan 0.000 0.578 52 S N 0.004 115.769 115.700 0.108 0.000 2.601 52 S HA 0.530 5.000 4.470 0.001 0.000 0.271 52 S C 0.273 174.927 174.600 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 64.619 63.200 0.050 0.000 0.940 52 S HN 0.227 nan 8.310 nan 0.000 0.525 53 T N -1.341 113.281 114.554 0.112 0.000 2.919 53 T HA 0.502 4.852 4.350 0.001 0.000 0.282 53 T C 1.436 176.162 174.700 0.044 0.000 1.020 53 T CA -0.167 61.991 62.100 0.097 0.000 0.994 53 T CB 0.828 69.796 68.868 0.167 0.000 1.180 53 T HN 0.900 nan 8.240 nan 0.000 0.566 54 S N -0.463 115.246 115.700 0.014 0.000 2.368 54 S HA -0.149 4.321 4.470 0.001 0.000 0.225 54 S C 1.789 176.329 174.600 -0.101 0.000 1.030 54 S CA 1.348 59.528 58.200 -0.032 0.000 0.999 54 S CB -0.727 62.454 63.200 -0.031 0.000 0.844 54 S HN 0.851 nan 8.310 nan 0.000 0.459 55 E N -0.295 119.793 120.200 -0.187 0.000 2.166 55 E HA 0.189 4.539 4.350 0.001 0.000 0.192 55 E C -0.714 175.488 176.600 -0.663 0.000 0.967 55 E CA 0.157 56.258 56.400 -0.499 0.000 0.840 55 E CB 0.235 29.477 29.700 -0.764 0.000 0.795 55 E HN 0.559 nan 8.360 nan 0.000 0.470 56 F N 0.525 120.490 119.950 0.024 0.000 2.482 56 F HA 0.490 5.018 4.527 0.001 0.000 0.331 56 F C 0.050 175.862 175.800 0.019 0.000 1.115 56 F CA -0.867 57.147 58.000 0.024 0.000 0.955 56 F CB 1.768 40.789 39.000 0.036 0.000 1.136 56 F HN -0.195 nan 8.300 nan 0.000 0.452 57 R N 3.730 124.333 120.500 0.171 0.000 2.626 57 R HA 0.608 4.949 4.340 0.001 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 0.088 0.000 0.898 57 R CB 1.579 31.904 30.300 0.040 0.000 1.222 57 R HN 0.787 nan 8.270 nan 0.000 0.455 58 L N 2.981 124.223 121.223 0.032 0.000 2.349 58 L HA 0.329 4.669 4.340 0.001 0.000 0.275 58 L C -0.159 176.712 176.870 0.001 0.000 1.115 58 L CA -0.259 54.585 54.840 0.007 0.000 0.820 58 L CB 1.714 43.782 42.059 0.015 0.000 1.135 58 L HN 0.701 nan 8.230 nan 0.000 0.445 59 T N 4.078 118.621 114.554 -0.017 0.000 2.947 59 T HA 0.348 4.699 4.350 0.001 0.000 0.337 59 T C -2.475 172.125 174.700 -0.167 0.000 1.139 59 T CA -1.290 60.762 62.100 -0.081 0.000 0.992 59 T CB 1.156 69.971 68.868 -0.090 0.000 1.043 59 T HN 0.292 nan 8.240 nan 0.000 0.498 60 P HA 0.431 nan 4.420 nan 0.000 0.286 60 P C -0.964 176.188 177.300 -0.247 0.000 1.261 60 P CA -0.721 62.394 63.100 0.026 0.000 0.821 60 P CB 0.543 32.465 31.700 0.371 0.000 1.013 61 H N 1.511 120.658 119.070 0.128 0.000 2.638 61 H HA 0.459 5.015 4.556 0.001 0.000 0.317 61 H C -0.284 175.098 175.328 0.091 0.000 1.006 61 H CA -0.496 55.599 56.048 0.079 0.000 1.222 61 H CB 0.137 29.915 29.762 0.027 0.000 1.419 61 H HN 0.204 nan 8.280 nan 0.000 0.489 62 I N 3.203 123.860 120.570 0.145 0.000 2.353 62 I HA 0.166 4.337 4.170 0.001 0.000 0.293 62 I C -0.150 176.006 176.117 0.064 0.000 0.992 62 I CA -0.245 61.109 61.300 0.090 0.000 1.268 62 I CB 0.944 38.907 38.000 -0.062 0.000 1.387 62 I HN 0.520 nan 8.210 nan 0.000 0.478 63 D N 5.434 125.889 120.400 0.093 0.000 2.391 63 D HA 0.311 4.952 4.640 0.001 0.000 0.245 63 D C -0.739 175.604 176.300 0.072 0.000 1.069 63 D CA -0.435 53.605 54.000 0.067 0.000 0.831 63 D CB 1.350 42.195 40.800 0.075 0.000 1.204 63 D HN 0.360 nan 8.370 nan 0.000 0.503 64 N N 2.588 121.301 118.700 0.022 0.000 2.419 64 N HA 0.504 5.244 4.740 0.001 0.000 0.277 64 N C -0.192 175.337 175.510 0.032 0.000 1.006 64 N CA -0.337 52.725 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 -1.455 119.796 121.223 0.046 0.000 2.600 65 L HA 0.647 4.988 4.340 0.001 0.000 0.257 65 L C -0.531 176.367 176.870 0.047 0.000 1.048 65 L CA -1.132 53.738 54.840 0.049 0.000 0.869 65 L CB 1.893 43.989 42.059 0.062 0.000 1.482 65 L HN 0.122 nan 8.230 nan 0.000 0.408 66 E N 0.952 121.183 120.200 0.052 0.000 2.070 66 E HA 0.265 4.616 4.350 0.001 0.000 0.282 66 E C 0.587 177.227 176.600 0.066 0.000 1.104 66 E CA -0.164 56.266 56.400 0.051 0.000 0.876 66 E CB 1.177 30.907 29.700 0.050 0.000 1.055 66 E HN 0.593 nan 8.360 nan 0.000 0.401 67 V N 2.466 122.423 119.914 0.071 0.000 3.141 67 V HA -0.005 4.116 4.120 0.001 0.000 0.265 67 V C 1.669 177.826 176.094 0.104 0.000 1.126 67 V CA 1.477 63.836 62.300 0.097 0.000 1.141 67 V CB -0.589 31.309 31.823 0.125 0.000 0.743 67 V HN 0.582 nan 8.190 nan 0.000 0.492 68 A N 0.852 123.726 122.820 0.091 0.000 2.206 68 A HA 0.060 4.380 4.320 0.001 0.000 0.211 68 A C 1.343 178.972 177.584 0.074 0.000 1.158 68 A CA 0.786 52.876 52.037 0.088 0.000 0.761 68 A CB -0.632 18.413 19.000 0.075 0.000 0.801 68 A HN 0.586 nan 8.150 nan 0.000 0.473 69 N N 0.173 118.918 118.700 0.075 0.000 2.527 69 N HA 0.215 4.955 4.740 0.001 0.000 0.236 69 N C 0.387 175.949 175.510 0.086 0.000 0.999 69 N CA 0.107 53.208 53.050 0.084 0.000 0.935 69 N CB 0.979 39.522 38.487 0.093 0.000 1.132 69 N HN 0.050 nan 8.380 nan 0.000 0.511 70 S N 2.738 118.484 115.700 0.075 0.000 2.399 70 S HA -0.113 4.357 4.470 0.001 0.000 0.231 70 S C 1.415 176.037 174.600 0.036 0.000 1.022 70 S CA 0.586 58.807 58.200 0.035 0.000 0.983 70 S CB -0.321 62.896 63.200 0.028 0.000 0.803 70 S HN 0.697 nan 8.310 nan 0.000 0.480 71 F N 2.533 122.465 119.950 -0.031 0.000 2.095 71 F HA -0.174 4.353 4.527 0.001 0.000 0.298 71 F C 2.328 178.106 175.800 -0.036 0.000 1.104 71 F CA 1.279 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 -0.218 122.722 122.820 0.200 0.000 1.902 72 A HA -0.130 4.191 4.320 0.001 0.000 0.217 72 A C 2.263 179.833 177.584 -0.025 0.000 1.181 72 A CA 1.948 54.047 52.037 0.103 0.000 0.623 72 A CB -1.372 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 -0.287 119.609 119.914 -0.029 0.000 2.358 73 V HA -0.212 3.908 4.120 0.001 0.000 0.246 73 V C 2.730 178.729 176.094 -0.158 0.000 1.047 73 V CA 2.419 64.689 62.300 -0.051 0.000 1.035 73 V CB -1.234 30.564 31.823 -0.041 0.000 0.658 73 V HN 0.607 nan 8.190 nan 0.000 0.452 74 T N -0.008 114.366 114.554 -0.300 0.000 2.746 74 T HA -0.181 4.169 4.350 0.001 0.000 0.267 74 T C 1.839 176.318 174.700 -0.369 0.000 1.039 74 T CA 1.634 63.427 62.100 -0.512 0.000 1.142 74 T CB -0.393 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 0.966 119.446 118.700 -0.366 0.000 2.120 75 N HA -0.067 4.673 4.740 0.001 0.000 0.188 75 N C 2.215 177.662 175.510 -0.106 0.000 1.024 75 N CA 1.266 54.151 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 0.380 nan 8.380 nan 0.000 0.424 76 A N 0.888 123.674 122.820 -0.057 0.000 1.898 76 A HA -0.127 4.193 4.320 0.001 0.000 0.216 76 A C 2.010 179.620 177.584 0.043 0.000 1.181 76 A CA 0.835 52.878 52.037 0.010 0.000 0.620 76 A CB -0.912 18.114 19.000 0.044 0.000 0.819 76 A HN 0.341 nan 8.150 nan 0.000 0.442 77 F N 0.333 120.220 119.950 -0.105 0.000 2.102 77 F HA -0.256 4.271 4.527 0.001 0.000 0.298 77 F C 2.432 178.212 175.800 -0.033 0.000 1.105 77 F CA 1.963 59.917 58.000 -0.077 0.000 1.239 77 F CB -0.328 38.538 39.000 -0.223 0.000 0.991 77 F HN 0.299 nan 8.300 nan 0.000 0.474 78 c N -0.750 117.973 118.600 0.204 0.000 2.440 78 c HA -0.133 4.438 4.570 0.001 0.000 0.278 78 c C 3.169 177.328 174.090 0.115 0.000 1.295 78 c CA 1.381 57.829 56.329 0.198 0.000 1.738 78 c CB -1.265 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 -0.069 115.647 115.700 0.028 0.000 2.368 79 S HA -0.188 4.282 4.470 0.001 0.000 0.225 79 S C 2.030 176.597 174.600 -0.056 0.000 1.030 79 S CA 1.462 59.654 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 -0.240 119.516 119.800 -0.073 0.000 2.079 80 Q HA -0.081 4.260 4.340 0.001 0.000 0.200 80 Q C 1.895 177.804 176.000 -0.152 0.000 0.974 80 Q CA 1.230 56.954 55.803 -0.132 0.000 0.840 80 Q CB -0.692 27.957 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 4.290 4.527 0.001 0.000 0.299 81 F C 2.544 178.233 175.800 -0.185 0.000 1.096 81 F CA 1.834 59.696 58.000 -0.231 0.000 1.255 81 F CB -0.379 38.561 39.000 -0.100 0.000 0.997 81 F HN 0.114 nan 8.300 nan 0.000 0.479 82 S N -0.088 115.538 115.700 -0.122 0.000 2.428 82 S HA -0.122 4.348 4.470 0.001 0.000 0.230 82 S C 2.170 176.609 174.600 -0.268 0.000 1.014 82 S CA 0.605 58.682 58.200 -0.204 0.000 0.957 82 S CB -0.622 62.544 63.200 -0.058 0.000 0.784 82 S HN 0.471 nan 8.310 nan 0.000 0.499 83 R N 1.041 121.381 120.500 -0.268 0.000 2.092 83 R HA 0.080 4.420 4.340 0.001 0.000 0.231 83 R C 1.429 177.502 176.300 -0.379 0.000 1.119 83 R CA 0.886 56.797 56.100 -0.315 0.000 0.970 83 R CB -0.529 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 0.757 109.284 108.800 -0.456 0.000 2.173 84 G HA2 -0.199 3.762 3.960 0.001 0.000 0.174 84 G HA3 -0.199 3.762 3.960 0.001 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 -0.555 0.000 0.706 84 G HN 0.264 nan 8.290 nan 0.000 0.499 85 V N -2.307 117.331 119.914 -0.460 0.000 2.963 85 V HA 0.532 4.653 4.120 0.001 0.000 0.306 85 V C 1.368 177.309 176.094 -0.254 0.000 1.077 85 V CA -0.186 61.910 62.300 -0.341 0.000 1.124 85 V CB 0.453 32.206 31.823 -0.118 0.000 0.987 85 V HN 0.215 nan 8.190 nan 0.000 0.487 86 Y N 2.158 122.517 120.300 0.097 0.000 2.482 86 Y HA 0.696 5.247 4.550 0.001 0.000 0.270 86 Y C 1.058 177.312 175.900 0.591 0.000 1.152 86 Y CA 0.302 58.654 58.100 0.421 0.000 1.292 86 Y CB -0.309 38.420 38.460 0.448 0.000 1.070 86 Y HN 1.135 nan 8.280 nan 0.000 0.528 87 A N -0.524 122.602 122.820 0.511 0.000 2.549 87 A HA 0.584 4.904 4.320 0.001 0.000 0.291 87 A C -1.949 175.802 177.584 0.278 0.000 1.034 87 A CA -0.694 51.601 52.037 0.431 0.000 0.655 87 A CB 0.409 19.701 19.000 0.486 0.000 1.299 87 A HN -0.091 nan 8.150 nan 0.000 0.427 88 I N 1.206 121.902 120.570 0.211 0.000 2.447 88 I HA 0.417 4.588 4.170 0.001 0.000 0.287 88 I C -0.828 175.229 176.117 -0.101 0.000 1.023 88 I CA -0.271 61.090 61.300 0.102 0.000 1.083 88 I CB 1.293 39.371 38.000 0.130 0.000 1.245 88 I HN 0.706 nan 8.210 nan 0.000 0.434 89 F N 5.634 125.478 119.950 -0.177 0.000 2.404 89 F HA 0.768 5.295 4.527 0.001 0.000 0.345 89 F C 0.382 175.818 175.800 -0.607 0.000 1.110 89 F CA 0.248 58.023 58.000 -0.374 0.000 1.130 89 F CB 1.377 40.341 39.000 -0.059 0.000 1.129 89 F HN 0.553 nan 8.300 nan 0.000 0.500 90 G N 4.172 111.800 108.800 -1.952 0.000 2.489 90 G HA2 0.438 4.398 3.960 0.001 0.000 0.305 90 G HA3 0.438 4.398 3.960 0.001 0.000 0.305 90 G C -2.169 172.023 174.900 -1.180 0.000 1.311 90 G CA -0.896 43.422 45.100 -1.302 0.000 0.813 90 G HN 0.541 nan 8.290 nan 0.000 0.480 91 F N 0.040 119.740 119.950 -0.417 0.000 2.561 91 F HA 0.769 5.297 4.527 0.001 0.000 0.321 91 F C -0.091 175.676 175.800 -0.054 0.000 1.065 91 F CA -0.712 57.098 58.000 -0.316 0.000 0.934 91 F CB 2.441 41.279 39.000 -0.270 0.000 1.215 91 F HN 0.667 nan 8.300 nan 0.000 0.471 92 Y N -0.782 119.613 120.300 0.159 0.000 2.669 92 Y HA 0.795 5.345 4.550 0.001 0.000 0.335 92 Y C -1.316 174.660 175.900 0.126 0.000 1.116 92 Y CA -1.804 56.332 58.100 0.061 0.000 1.081 92 Y CB 0.653 39.043 38.460 -0.116 0.000 1.297 92 Y HN 0.554 nan 8.280 nan 0.000 0.484 93 D N -1.041 119.643 120.400 0.474 0.000 2.801 93 D HA 0.222 4.862 4.640 0.001 0.000 0.277 93 D C 0.420 177.054 176.300 0.557 0.000 1.125 93 D CA -0.652 53.684 54.000 0.561 0.000 1.102 93 D CB 0.843 41.842 40.800 0.331 0.000 1.400 93 D HN 0.686 nan 8.370 nan 0.000 0.601 94 K N -0.006 120.660 120.400 0.442 0.000 2.152 94 K HA -0.128 4.192 4.320 0.001 0.000 0.206 94 K C 1.386 178.090 176.600 0.175 0.000 1.048 94 K CA 1.079 57.534 56.287 0.280 0.000 0.933 94 K CB -0.154 32.389 32.500 0.071 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 0.142 0.000 2.305 95 K HA 0.013 4.333 4.320 0.001 0.000 0.199 95 K C 1.792 178.426 176.600 0.057 0.000 1.047 95 K CA 1.238 57.576 56.287 0.084 0.000 0.976 95 K CB 0.302 32.847 32.500 0.074 0.000 0.765 95 K HN 0.359 nan 8.250 nan 0.000 0.474 96 S N -0.416 115.324 115.700 0.067 0.000 2.540 96 S HA 0.029 4.499 4.470 0.001 0.000 0.222 96 S C 1.721 176.256 174.600 -0.109 0.000 1.008 96 S CA -0.255 57.947 58.200 0.003 0.000 0.939 96 S CB 0.333 63.558 63.200 0.041 0.000 0.865 96 S HN 0.044 nan 8.310 nan 0.000 0.499 97 V N 3.104 122.918 119.914 -0.167 0.000 2.392 97 V HA -0.238 3.882 4.120 0.001 0.000 0.249 97 V C 1.764 177.607 176.094 -0.417 0.000 1.059 97 V CA 2.502 64.459 62.300 -0.572 0.000 1.051 97 V CB -1.082 30.325 31.823 -0.693 0.000 0.658 97 V HN 0.583 nan 8.190 nan 0.000 0.455 98 N N -0.730 117.845 118.700 -0.209 0.000 2.244 98 N HA -0.128 4.612 4.740 0.001 0.000 0.183 98 N C 1.758 177.189 175.510 -0.131 0.000 1.016 98 N CA 1.703 54.664 53.050 -0.149 0.000 0.866 98 N CB -0.289 38.155 38.487 -0.072 0.000 0.980 98 N HN 0.464 nan 8.380 nan 0.000 0.430 99 T N 1.261 115.738 114.554 -0.127 0.000 2.684 99 T HA -0.072 4.278 4.350 0.001 0.000 0.267 99 T C 1.771 176.348 174.700 -0.205 0.000 1.036 99 T CA 0.748 62.785 62.100 -0.105 0.000 1.148 99 T CB -0.110 68.647 68.868 -0.185 0.000 0.863 99 T HN 0.131 nan 8.240 nan 0.000 0.436 100 I N 2.120 122.484 120.570 -0.343 0.000 2.179 100 I HA -0.156 4.015 4.170 0.001 0.000 0.242 100 I C 3.010 178.921 176.117 -0.343 0.000 1.088 100 I CA 1.989 63.002 61.300 -0.478 0.000 1.357 100 I CB -1.851 35.722 38.000 -0.712 0.000 1.051 100 I HN 0.455 nan 8.210 nan 0.000 0.409 101 T N -2.271 112.106 114.554 -0.295 0.000 2.746 101 T HA -0.162 4.188 4.350 0.001 0.000 0.267 101 T C 2.148 176.790 174.700 -0.096 0.000 1.039 101 T CA 1.818 63.819 62.100 -0.165 0.000 1.142 101 T CB -0.625 68.152 68.868 -0.152 0.000 0.866 101 T HN 0.200 nan 8.240 nan 0.000 0.444 102 S N -0.035 115.597 115.700 -0.113 0.000 2.371 102 S HA 0.061 4.532 4.470 0.001 0.000 0.224 102 S C 1.629 176.095 174.600 -0.223 0.000 1.029 102 S CA 0.569 58.688 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 0.001 0.000 0.298 103 F C 2.770 178.330 175.800 -0.400 0.000 1.096 103 F CA 0.847 58.494 58.000 -0.587 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 -0.295 118.953 119.300 -0.088 0.000 2.429 104 C HA -0.092 4.368 4.460 0.001 0.000 0.277 104 C C 3.124 178.118 174.990 0.007 0.000 1.262 104 C CA 1.289 60.389 59.018 0.138 0.000 1.733 104 C CB -1.672 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 -0.120 108.701 108.800 0.035 0.000 2.408 105 G HA2 -0.166 3.794 3.960 0.001 0.000 0.217 105 G HA3 -0.166 3.794 3.960 0.001 0.000 0.217 105 G C 1.690 176.603 174.900 0.021 0.000 1.150 105 G CA 1.626 46.778 45.100 0.087 0.000 0.776 105 G HN 0.511 nan 8.290 nan 0.000 0.542 106 T N 0.996 115.506 114.554 -0.073 0.000 2.812 106 T HA 0.063 4.413 4.350 0.001 0.000 0.264 106 T C 2.168 176.815 174.700 -0.088 0.000 1.042 106 T CA 0.623 62.660 62.100 -0.104 0.000 1.140 106 T CB -0.097 68.607 68.868 -0.274 0.000 0.870 106 T HN 0.137 nan 8.240 nan 0.000 0.445 107 L N -0.331 120.822 121.223 -0.117 0.000 2.607 107 L HA 0.287 4.628 4.340 0.001 0.000 0.228 107 L C 0.122 176.998 176.870 0.009 0.000 1.123 107 L CA 0.164 54.935 54.840 -0.114 0.000 0.890 107 L CB -0.422 41.482 42.059 -0.260 0.000 1.103 107 L HN 0.496 nan 8.230 nan 0.000 0.468 108 H N -1.374 117.396 119.070 -0.500 0.000 2.839 108 H HA -0.114 4.443 4.556 0.001 0.000 0.298 108 H C -0.332 174.748 175.328 -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 27.846 29.762 -0.552 0.000 1.372 108 H HN 0.083 nan 8.280 nan 0.000 0.408 109 V N 1.590 121.532 119.914 0.047 0.000 2.370 109 V HA 0.172 4.293 4.120 0.001 0.000 0.283 109 V C 0.599 176.964 176.094 0.451 0.000 1.023 109 V CA -0.256 62.285 62.300 0.402 0.000 0.857 109 V CB 1.872 33.962 31.823 0.445 0.000 0.985 109 V HN 0.270 nan 8.190 nan 0.000 0.443 110 S N 5.040 121.045 115.700 0.508 0.000 2.548 110 S HA 0.495 4.966 4.470 0.001 0.000 0.277 110 S C -0.621 174.229 174.600 0.415 0.000 1.315 110 S CA -0.128 58.351 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 4.486 124.561 119.950 0.209 0.000 2.427 111 F HA 0.532 5.059 4.527 0.001 0.000 0.348 111 F C -0.766 175.051 175.800 0.029 0.000 1.125 111 F CA -0.878 57.200 58.000 0.129 0.000 0.989 111 F CB 0.528 39.623 39.000 0.159 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 2.377 112 I HA 0.359 4.530 4.170 0.001 0.000 0.293 112 I C -0.095 175.676 176.117 -0.578 0.000 0.987 112 I CA -0.254 60.906 61.300 -0.234 0.000 1.185 112 I CB 1.585 39.575 38.000 -0.018 0.000 1.341 112 I HN 0.540 nan 8.210 nan 0.000 0.455 113 T N 7.168 121.460 114.554 -0.437 0.000 2.956 113 T HA 0.489 4.839 4.350 0.001 0.000 0.312 113 T C -2.461 171.956 174.700 -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 0.291 nan 4.420 nan 0.000 0.255 114 P C 0.145 177.286 177.300 -0.265 0.000 1.248 114 P CA -0.067 62.845 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 0.667 116.076 115.700 -0.484 0.000 2.641 115 S HA 0.353 4.823 4.470 0.001 0.000 0.261 115 S C 0.276 174.760 174.600 -0.193 0.000 1.257 115 S CA -0.585 57.379 58.200 -0.394 0.000 0.983 115 S CB -0.248 62.357 63.200 -0.992 0.000 0.990 115 S HN 0.200 nan 8.310 nan 0.000 0.572 116 F N 1.001 120.987 119.950 0.060 0.000 2.607 116 F HA 0.425 4.953 4.527 0.001 0.000 0.374 116 F C -2.505 173.408 175.800 0.188 0.000 1.104 116 F CA -2.281 55.806 58.000 0.146 0.000 1.296 116 F CB -1.004 38.102 39.000 0.177 0.000 1.085 116 F HN 0.161 nan 8.300 nan 0.000 0.584 117 P HA 0.270 nan 4.420 nan 0.000 0.276 117 P C -0.669 176.773 177.300 0.237 0.000 1.244 117 P CA -0.420 62.774 63.100 0.157 0.000 0.801 117 P CB 1.341 33.128 31.700 0.145 0.000 1.006 118 T N -2.899 111.736 114.554 0.136 0.000 2.908 118 T HA 0.382 4.733 4.350 0.001 0.000 0.290 118 T C 0.270 175.126 174.700 0.260 0.000 1.034 118 T CA -0.539 61.671 62.100 0.184 0.000 1.010 118 T CB 1.351 70.252 68.868 0.054 0.000 1.068 118 T HN 0.096 nan 8.240 nan 0.000 0.481 119 D N 1.094 121.615 120.400 0.201 0.000 2.305 119 D HA 0.201 4.842 4.640 0.001 0.000 0.206 119 D C 1.446 177.822 176.300 0.127 0.000 0.974 119 D CA 0.461 54.554 54.000 0.156 0.000 0.871 119 D CB -0.302 40.562 40.800 0.106 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 0.001 0.000 0.255 120 G HA3 0.137 4.097 3.960 0.001 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 -0.680 113.861 114.554 -0.022 0.000 2.799 121 T HA 0.343 4.693 4.350 0.001 0.000 0.296 121 T C -0.203 174.466 174.700 -0.051 0.000 0.947 121 T CA -0.278 61.753 62.100 -0.116 0.000 1.141 121 T CB -0.283 68.544 68.868 -0.068 0.000 0.891 121 T HN 0.753 nan 8.240 nan 0.000 0.533 122 H N 2.820 121.889 119.070 -0.001 0.000 2.761 122 H HA 0.519 5.076 4.556 0.001 0.000 0.263 122 H C -3.097 172.237 175.328 0.011 0.000 1.292 122 H CA -2.407 53.646 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 -0.145 177.273 177.300 0.197 0.000 1.195 123 P CA 0.017 63.100 63.100 -0.028 0.000 0.768 123 P CB 0.214 31.925 31.700 0.018 0.000 0.838 124 F N -1.114 118.858 119.950 0.036 0.000 2.746 124 F HA -0.188 4.340 4.527 0.001 0.000 0.315 124 F C -0.058 175.829 175.800 0.145 0.000 0.666 124 F CA 0.312 58.360 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 1.986 122.063 119.914 0.273 0.000 2.378 125 V HA 0.530 4.651 4.120 0.001 0.000 0.288 125 V C 0.160 176.350 176.094 0.160 0.000 1.016 125 V CA -0.729 61.721 62.300 0.251 0.000 0.840 125 V CB 1.658 33.571 31.823 0.150 0.000 0.994 125 V HN 0.059 nan 8.190 nan 0.000 0.431 126 I N 4.485 125.085 120.570 0.049 0.000 2.307 126 I HA 0.374 4.544 4.170 0.001 0.000 0.289 126 I C 0.326 176.411 176.117 -0.052 0.000 1.021 126 I CA 0.057 61.273 61.300 -0.139 0.000 1.224 126 I CB 1.187 38.984 38.000 -0.339 0.000 1.376 126 I HN 0.583 nan 8.210 nan 0.000 0.470 127 Q N 5.974 125.808 119.800 0.058 0.000 2.421 127 Q HA 0.324 4.664 4.340 0.001 0.000 0.242 127 Q C 0.707 176.821 176.000 0.190 0.000 1.024 127 Q CA -0.457 55.400 55.803 0.091 0.000 0.891 127 Q CB 1.334 30.132 28.738 0.099 0.000 1.222 127 Q HN 0.584 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 -0.060 4.421 4.480 0.001 0.000 0.264 128 M C 0.790 177.136 176.300 0.077 0.000 1.067 128 M CA 1.144 56.548 55.300 0.173 0.000 1.103 128 M CB -0.463 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 1.856 122.381 120.500 0.041 0.000 2.267 129 R HA 0.220 4.560 4.340 0.001 0.000 0.319 129 R C -2.415 173.838 176.300 -0.080 0.000 1.067 129 R CA -1.580 54.529 56.100 0.016 0.000 0.936 129 R CB 0.739 31.085 30.300 0.077 0.000 1.006 129 R HN -0.053 nan 8.270 nan 0.000 0.452 130 P HA -0.008 nan 4.420 nan 0.000 0.269 130 P C -0.999 176.101 177.300 -0.334 0.000 1.215 130 P CA -0.173 62.582 63.100 -0.576 0.000 0.780 130 P CB 0.595 31.672 31.700 -1.039 0.000 0.898 131 D N 0.675 120.879 120.400 -0.327 0.000 2.345 131 D HA 0.093 4.733 4.640 0.001 0.000 0.247 131 D C 0.515 176.733 176.300 -0.137 0.000 1.108 131 D CA -0.058 53.895 54.000 -0.079 0.000 0.894 131 D CB 0.440 41.294 40.800 0.090 0.000 1.203 131 D HN 0.106 nan 8.370 nan 0.000 0.430 132 L N 3.402 124.506 121.223 -0.199 0.000 2.638 132 L HA 0.258 4.598 4.340 0.001 0.000 0.232 132 L C 1.535 178.137 176.870 -0.446 0.000 1.099 132 L CA 0.675 55.283 54.840 -0.386 0.000 0.883 132 L CB -0.117 41.700 42.059 -0.403 0.000 1.136 132 L HN 0.373 nan 8.230 nan 0.000 0.492 133 K N -0.238 120.007 120.400 -0.258 0.000 2.057 133 K HA -0.049 4.272 4.320 0.001 0.000 0.207 133 K C 1.943 178.381 176.600 -0.270 0.000 1.049 133 K CA 1.346 57.512 56.287 -0.200 0.000 0.931 133 K CB -0.571 31.885 32.500 -0.074 0.000 0.714 133 K HN 0.480 nan 8.250 nan 0.000 0.440 134 G N 1.337 109.936 108.800 -0.335 0.000 2.418 134 G HA2 -0.264 3.696 3.960 0.001 0.000 0.217 134 G HA3 -0.264 3.696 3.960 0.001 0.000 0.217 134 G C 1.663 176.052 174.900 -0.851 0.000 1.158 134 G CA 0.975 45.866 45.100 -0.350 0.000 0.771 134 G HN 0.357 nan 8.290 nan 0.000 0.545 135 A N 0.333 122.206 122.820 -1.577 0.000 1.933 135 A HA 0.074 4.394 4.320 0.001 0.000 0.218 135 A C 2.346 179.588 177.584 -0.569 0.000 1.175 135 A CA 1.682 52.816 52.037 -1.504 0.000 0.628 135 A CB -0.409 17.923 19.000 -1.112 0.000 0.814 135 A HN 0.447 nan 8.150 nan 0.000 0.444 136 L N -0.169 120.735 121.223 -0.533 0.000 2.027 136 L HA -0.082 4.259 4.340 0.001 0.000 0.206 136 L C 2.258 179.070 176.870 -0.097 0.000 1.074 136 L CA 1.679 56.396 54.840 -0.206 0.000 0.745 136 L CB -0.538 41.385 42.059 -0.226 0.000 0.898 136 L HN 0.397 nan 8.230 nan 0.000 0.433 137 L N -1.202 119.975 121.223 -0.076 0.000 2.046 137 L HA -0.186 4.155 4.340 0.001 0.000 0.208 137 L C 2.463 179.391 176.870 0.098 0.000 1.077 137 L CA 1.346 56.240 54.840 0.091 0.000 0.747 137 L CB -0.762 41.389 42.059 0.152 0.000 0.896 137 L HN 0.214 nan 8.230 nan 0.000 0.432 138 S N -0.034 115.699 115.700 0.055 0.000 2.399 138 S HA -0.144 4.326 4.470 0.001 0.000 0.231 138 S C 1.823 176.434 174.600 0.017 0.000 1.022 138 S CA 1.062 59.337 58.200 0.124 0.000 0.983 138 S CB -0.226 63.162 63.200 0.314 0.000 0.803 138 S HN 0.233 nan 8.310 nan 0.000 0.480 139 L N 1.688 122.869 121.223 -0.069 0.000 2.109 139 L HA 0.059 4.399 4.340 0.001 0.000 0.207 139 L C 1.797 178.464 176.870 -0.338 0.000 1.086 139 L CA 1.347 56.061 54.840 -0.211 0.000 0.760 139 L CB -0.518 41.442 42.059 -0.166 0.000 0.910 139 L HN 0.179 nan 8.230 nan 0.000 0.437 140 I N -0.077 120.277 120.570 -0.361 0.000 2.163 140 I HA -0.291 3.879 4.170 0.001 0.000 0.243 140 I C 2.430 178.340 176.117 -0.345 0.000 1.085 140 I CA 1.475 62.405 61.300 -0.616 0.000 1.347 140 I CB -1.165 36.399 38.000 -0.727 0.000 1.044 140 I HN 0.404 nan 8.210 nan 0.000 0.408 141 E N -0.368 119.796 120.200 -0.061 0.000 2.106 141 E HA -0.259 4.091 4.350 0.001 0.000 0.192 141 E C 2.167 178.782 176.600 0.024 0.000 0.984 141 E CA 1.076 57.536 56.400 0.101 0.000 0.806 141 E CB -0.345 29.480 29.700 0.209 0.000 0.750 141 E HN 0.492 nan 8.360 nan 0.000 0.458 142 Y N 0.028 120.212 120.300 -0.195 0.000 2.181 142 Y HA -0.274 4.277 4.550 0.001 0.000 0.288 142 Y C 1.406 177.150 175.900 -0.260 0.000 1.146 142 Y CA 1.511 59.449 58.100 -0.270 0.000 1.164 142 Y CB -0.159 38.038 38.460 -0.440 0.000 0.982 142 Y HN 0.047 nan 8.280 nan 0.000 0.515 143 Y N 0.986 121.137 120.300 -0.247 0.000 2.578 143 Y HA 0.032 4.583 4.550 0.001 0.000 0.297 143 Y C 0.849 176.709 175.900 -0.066 0.000 1.176 143 Y CA 0.549 58.483 58.100 -0.276 0.000 1.315 143 Y CB -0.813 37.355 38.460 -0.487 0.000 1.031 143 Y HN 0.272 nan 8.280 nan 0.000 0.524 144 Q N -2.112 117.724 119.800 0.059 0.000 2.475 144 Q HA -0.249 4.091 4.340 0.001 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 -1.637 27.164 28.738 0.104 0.000 1.256 144 Q HN 0.389 nan 8.270 nan 0.000 0.475 145 W N 1.125 122.393 121.300 -0.053 0.000 2.190 145 W HA 0.164 4.825 4.660 0.001 0.000 0.330 145 W C 1.109 177.588 176.519 -0.067 0.000 1.299 145 W CA 0.319 57.606 57.345 -0.096 0.000 1.215 145 W CB 0.241 29.534 29.460 -0.278 0.000 1.147 145 W HN 0.320 nan 8.180 nan 0.000 0.563 146 D N -0.432 120.110 120.400 0.236 0.000 2.525 146 D HA 0.106 4.747 4.640 0.001 0.000 0.231 146 D C -0.270 176.146 176.300 0.192 0.000 1.216 146 D CA -0.290 53.872 54.000 0.271 0.000 0.813 146 D CB 0.178 41.146 40.800 0.279 0.000 1.108 146 D HN 0.237 nan 8.370 nan 0.000 0.524 147 K N 0.532 121.010 120.400 0.131 0.000 2.588 147 K HA 0.502 4.823 4.320 0.001 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 -0.026 0.000 0.821 147 K CB 1.273 33.746 32.500 -0.046 0.000 1.249 147 K HN 0.030 nan 8.250 nan 0.000 0.442 148 F N 0.536 120.421 119.950 -0.109 0.000 2.773 148 F HA 0.734 5.262 4.527 0.001 0.000 0.314 148 F C -1.637 174.161 175.800 -0.003 0.000 1.160 148 F CA -1.270 56.639 58.000 -0.152 0.000 0.920 148 F CB 0.805 39.720 39.000 -0.141 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 0.247 0.000 2.312 149 A HA 0.661 4.982 4.320 0.001 0.000 0.326 149 A C -2.162 175.695 177.584 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 3.208 123.671 120.300 0.272 0.000 2.464 150 Y HA 0.543 5.094 4.550 0.001 0.000 0.326 150 Y C -1.099 174.984 175.900 0.306 0.000 0.969 150 Y CA -0.734 57.558 58.100 0.320 0.000 1.270 150 Y CB 0.901 39.543 38.460 0.302 0.000 1.103 150 Y HN 0.525 nan 8.280 nan 0.000 0.491 151 L N 8.646 129.847 121.223 -0.037 0.000 2.255 151 L HA 0.384 4.725 4.340 0.001 0.000 0.289 151 L C -0.819 175.967 176.870 -0.139 0.000 1.046 151 L CA -0.885 53.941 54.840 -0.023 0.000 0.816 151 L CB 0.093 42.160 42.059 0.012 0.000 1.197 151 L HN 0.664 nan 8.230 nan 0.000 0.427 152 Y N -0.022 120.128 120.300 -0.250 0.000 2.633 152 Y HA 0.640 5.191 4.550 0.001 0.000 0.339 152 Y C -0.865 174.999 175.900 -0.060 0.000 1.045 152 Y CA -1.396 56.574 58.100 -0.217 0.000 1.098 152 Y CB 1.530 39.877 38.460 -0.188 0.000 1.296 152 Y HN 0.272 nan 8.280 nan 0.000 0.494 153 D N 0.996 121.374 120.400 -0.036 0.000 2.392 153 D HA 0.166 4.806 4.640 0.001 0.000 0.228 153 D C 0.694 176.963 176.300 -0.052 0.000 1.074 153 D CA -0.063 53.886 54.000 -0.084 0.000 0.838 153 D CB 1.713 42.513 40.800 -0.001 0.000 1.067 153 D HN 0.729 nan 8.370 nan 0.000 0.511 154 S N 2.120 117.735 115.700 -0.142 0.000 2.465 154 S HA -0.164 4.306 4.470 0.001 0.000 0.241 154 S C 0.707 175.304 174.600 -0.005 0.000 1.000 154 S CA 0.599 58.773 58.200 -0.044 0.000 0.964 154 S CB 0.077 63.235 63.200 -0.070 0.000 0.763 154 S HN 0.387 nan 8.310 nan 0.000 0.512 155 D N 1.336 121.729 120.400 -0.011 0.000 2.413 155 D HA 0.308 4.949 4.640 0.001 0.000 0.237 155 D C 0.533 176.843 176.300 0.017 0.000 1.171 155 D CA 0.206 54.214 54.000 0.013 0.000 0.839 155 D CB 0.053 40.864 40.800 0.018 0.000 0.950 155 D HN 0.466 nan 8.370 nan 0.000 0.499 156 R N -0.980 119.510 120.500 -0.016 0.000 2.844 156 R HA 0.529 4.869 4.340 0.001 0.000 0.264 156 R C 0.265 176.427 176.300 -0.230 0.000 1.077 156 R CA -0.813 55.229 56.100 -0.096 0.000 0.953 156 R CB 1.042 31.329 30.300 -0.022 0.000 1.272 156 R HN 0.090 nan 8.270 nan 0.000 0.447 157 G N 0.184 108.681 108.800 -0.504 0.000 2.647 157 G HA2 0.237 4.197 3.960 0.001 0.000 0.271 157 G HA3 0.237 4.197 3.960 0.001 0.000 0.271 157 G C 0.247 175.069 174.900 -0.129 0.000 1.300 157 G CA -0.216 44.565 45.100 -0.533 0.000 0.997 157 G HN 0.396 nan 8.290 nan 0.000 0.533 158 L N -0.845 120.336 121.223 -0.071 0.000 3.515 158 L HA 0.139 4.479 4.340 0.001 0.000 0.322 158 L C 2.501 179.364 176.870 -0.012 0.000 1.225 158 L CA 0.361 55.199 54.840 -0.003 0.000 1.104 158 L CB 0.482 42.556 42.059 0.026 0.000 1.506 158 L HN 0.616 nan 8.230 nan 0.000 0.624 159 S N 0.120 115.825 115.700 0.009 0.000 2.387 159 S HA -0.192 4.278 4.470 0.001 0.000 0.230 159 S C 1.844 176.443 174.600 -0.001 0.000 1.035 159 S CA 2.558 60.773 58.200 0.025 0.000 1.014 159 S CB -0.012 63.231 63.200 0.072 0.000 0.836 159 S HN 0.456 nan 8.310 nan 0.000 0.466 160 T N 2.599 117.158 114.554 0.008 0.000 2.812 160 T HA 0.012 4.362 4.350 0.001 0.000 0.264 160 T C 1.680 176.313 174.700 -0.112 0.000 1.042 160 T CA 1.137 63.238 62.100 0.001 0.000 1.140 160 T CB -0.537 68.388 68.868 0.095 0.000 0.870 160 T HN 0.348 nan 8.240 nan 0.000 0.445 161 L N 1.520 122.662 121.223 -0.135 0.000 1.963 161 L HA -0.234 4.106 4.340 0.001 0.000 0.220 161 L C 2.444 179.161 176.870 -0.256 0.000 1.076 161 L CA 1.977 56.609 54.840 -0.348 0.000 0.772 161 L CB -0.928 40.919 42.059 -0.354 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 -0.138 0.000 2.077 162 Q HA -0.247 4.093 4.340 0.001 0.000 0.206 162 Q C 2.226 178.182 176.000 -0.074 0.000 0.989 162 Q CA 2.348 58.100 55.803 -0.085 0.000 0.853 162 Q CB -0.451 28.262 28.738 -0.041 0.000 0.907 162 Q HN 0.758 nan 8.270 nan 0.000 0.418 163 A N -0.325 122.455 122.820 -0.066 0.000 1.898 163 A HA -0.134 4.187 4.320 0.001 0.000 0.216 163 A C 2.274 179.843 177.584 -0.025 0.000 1.181 163 A CA 1.366 53.382 52.037 -0.036 0.000 0.620 163 A CB -0.617 18.371 19.000 -0.020 0.000 0.819 163 A HN 0.241 nan 8.150 nan 0.000 0.442 164 V N 0.166 120.035 119.914 -0.075 0.000 2.307 164 V HA -0.235 3.886 4.120 0.001 0.000 0.245 164 V C 2.567 178.688 176.094 0.046 0.000 1.045 164 V CA 1.892 64.201 62.300 0.015 0.000 1.024 164 V CB -0.728 30.960 31.823 -0.225 0.000 0.651 164 V HN 0.566 nan 8.190 nan 0.000 0.449 165 L N -0.180 121.001 121.223 -0.071 0.000 2.046 165 L HA -0.181 4.160 4.340 0.001 0.000 0.208 165 L C 2.368 179.211 176.870 -0.045 0.000 1.077 165 L CA 1.546 56.358 54.840 -0.048 0.000 0.747 165 L CB -0.787 41.227 42.059 -0.074 0.000 0.896 165 L HN 0.355 nan 8.230 nan 0.000 0.432 166 D N -0.477 119.891 120.400 -0.054 0.000 2.144 166 D HA -0.128 4.512 4.640 0.001 0.000 0.200 166 D C 2.384 178.616 176.300 -0.112 0.000 0.978 166 D CA 1.253 55.213 54.000 -0.067 0.000 0.833 166 D CB -0.056 40.714 40.800 -0.051 0.000 0.961 166 D HN 0.154 nan 8.370 nan 0.000 0.470 167 S N 0.512 116.138 115.700 -0.124 0.000 2.383 167 S HA -0.060 4.411 4.470 0.001 0.000 0.227 167 S C 2.116 176.376 174.600 -0.567 0.000 1.026 167 S CA 0.844 58.859 58.200 -0.309 0.000 0.981 167 S CB -0.113 62.936 63.200 -0.252 0.000 0.818 167 S HN 0.353 nan 8.310 nan 0.000 0.472 168 A N 1.715 124.368 122.820 -0.279 0.000 1.940 168 A HA 0.024 4.344 4.320 0.001 0.000 0.219 168 A C 2.339 179.790 177.584 -0.221 0.000 1.176 168 A CA 1.762 53.692 52.037 -0.178 0.000 0.631 168 A CB -1.037 18.035 19.000 0.119 0.000 0.814 168 A HN 0.518 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 -0.128 4.193 4.320 0.001 0.000 0.216 169 A C 1.992 179.478 177.584 -0.163 0.000 1.181 169 A CA 2.031 53.993 52.037 -0.126 0.000 0.620 169 A CB -0.427 18.520 19.000 -0.089 0.000 0.819 169 A HN 0.552 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 4.277 4.350 0.001 0.000 0.190 170 E C 1.585 178.027 176.600 -0.264 0.000 0.982 170 E CA 1.102 57.377 56.400 -0.208 0.000 0.803 170 E CB 0.072 29.652 29.700 -0.200 0.000 0.755 170 E HN 0.327 nan 8.360 nan 0.000 0.453 171 K N 0.482 120.597 120.400 -0.474 0.000 2.404 171 K HA 0.059 4.379 4.320 0.001 0.000 0.194 171 K C -0.222 176.162 176.600 -0.359 0.000 1.023 171 K CA 0.191 56.151 56.287 -0.545 0.000 1.094 171 K CB 0.623 32.413 32.500 -1.184 0.000 0.841 171 K HN -0.016 nan 8.250 nan 0.000 0.523 172 K N 0.142 120.391 120.400 -0.253 0.000 3.096 172 K HA -0.157 4.163 4.320 0.001 0.000 0.266 172 K C -0.629 176.033 176.600 0.103 0.000 1.043 172 K CA 0.666 56.916 56.287 -0.061 0.000 0.758 172 K CB -2.456 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 1.338 122.658 121.300 0.032 0.000 2.237 173 W HA 0.281 4.942 4.660 0.001 0.000 0.335 173 W C 1.042 177.508 176.519 -0.088 0.000 1.230 173 W CA -0.574 56.780 57.345 0.015 0.000 1.253 173 W CB 0.262 29.766 29.460 0.073 0.000 1.129 173 W HN 0.034 nan 8.180 nan 0.000 0.590 174 Q N 1.669 121.524 119.800 0.091 0.000 2.430 174 Q HA 0.343 4.683 4.340 0.001 0.000 0.245 174 Q C -0.656 175.200 176.000 -0.239 0.000 1.021 174 Q CA -0.452 55.322 55.803 -0.048 0.000 0.867 174 Q CB 1.488 30.205 28.738 -0.035 0.000 1.210 174 Q HN 0.083 nan 8.270 nan 0.000 0.487 175 V N 2.371 122.138 119.914 -0.246 0.000 2.427 175 V HA 0.283 4.403 4.120 0.001 0.000 0.286 175 V C 0.223 176.227 176.094 -0.151 0.000 1.034 175 V CA -0.489 61.579 62.300 -0.386 0.000 0.893 175 V CB 1.811 33.438 31.823 -0.328 0.000 0.982 175 V HN 0.632 nan 8.190 nan 0.000 0.452 176 T N 4.781 119.274 114.554 -0.102 0.000 2.832 176 T HA 0.548 4.898 4.350 0.001 0.000 0.313 176 T C 0.157 174.924 174.700 0.113 0.000 1.035 176 T CA -0.140 61.965 62.100 0.008 0.000 0.950 176 T CB 0.834 69.704 68.868 0.002 0.000 0.984 176 T HN 0.851 nan 8.240 nan 0.000 0.486 177 A N 4.960 127.872 122.820 0.153 0.000 2.322 177 A HA 0.682 5.002 4.320 0.001 0.000 0.327 177 A C -0.137 177.660 177.584 0.356 0.000 1.394 177 A CA -0.600 51.625 52.037 0.313 0.000 0.921 177 A CB -0.072 19.073 19.000 0.242 0.000 1.153 177 A HN 0.873 nan 8.150 nan 0.000 0.523 178 I N 2.686 123.461 120.570 0.341 0.000 2.355 178 I HA 0.156 4.326 4.170 0.001 0.000 0.288 178 I C 0.048 176.138 176.117 -0.045 0.000 0.999 178 I CA -0.737 60.658 61.300 0.158 0.000 1.163 178 I CB 1.610 39.640 38.000 0.050 0.000 1.316 178 I HN 0.646 nan 8.210 nan 0.000 0.454 179 N N 6.550 125.086 118.700 -0.274 0.000 2.406 179 N HA 0.025 4.765 4.740 0.001 0.000 0.269 179 N C 0.452 175.710 175.510 -0.419 0.000 1.210 179 N CA 0.170 52.717 53.050 -0.839 0.000 0.966 179 N CB 0.869 39.036 38.487 -0.534 0.000 1.293 179 N HN 0.404 nan 8.380 nan 0.000 0.491 180 V N 2.202 121.896 119.914 -0.367 0.000 3.630 180 V HA 0.155 4.276 4.120 0.001 0.000 0.273 180 V C 1.613 177.615 176.094 -0.153 0.000 1.248 180 V CA 0.432 62.628 62.300 -0.172 0.000 1.170 180 V CB -1.056 30.734 31.823 -0.054 0.000 0.899 180 V HN 0.645 nan 8.190 nan 0.000 0.457 181 G N -0.352 108.318 108.800 -0.216 0.000 2.651 181 G HA2 0.234 4.195 3.960 0.001 0.000 0.260 181 G HA3 0.234 4.195 3.960 0.001 0.000 0.260 181 G C 0.167 175.006 174.900 -0.100 0.000 1.216 181 G CA -0.340 44.680 45.100 -0.134 0.000 0.913 181 G HN 0.449 nan 8.290 nan 0.000 0.535 182 N N -1.593 117.070 118.700 -0.062 0.000 2.650 182 N HA -0.159 4.582 4.740 0.001 0.000 0.272 182 N C -0.476 174.994 175.510 -0.066 0.000 1.058 182 N CA 0.551 53.571 53.050 -0.050 0.000 0.765 182 N CB -0.831 37.630 38.487 -0.043 0.000 0.902 182 N HN 0.492 nan 8.380 nan 0.000 0.551 183 I N 0.340 120.871 120.570 -0.065 0.000 2.336 183 I HA 0.123 4.294 4.170 0.001 0.000 0.292 183 I C 1.175 177.259 176.117 -0.055 0.000 0.991 183 I CA -0.572 60.676 61.300 -0.088 0.000 1.227 183 I CB 1.160 39.089 38.000 -0.117 0.000 1.366 183 I HN 0.268 nan 8.210 nan 0.000 0.466 184 N N 5.007 123.673 118.700 -0.056 0.000 2.666 184 N HA -0.120 4.620 4.740 0.001 0.000 0.194 184 N C 0.135 175.632 175.510 -0.022 0.000 1.220 184 N CA 0.040 53.069 53.050 -0.034 0.000 0.928 184 N CB -0.238 38.229 38.487 -0.033 0.000 0.997 184 N HN 0.581 nan 8.380 nan 0.000 0.447 185 N N -0.208 118.479 118.700 -0.022 0.000 2.690 185 N HA -0.209 4.532 4.740 0.001 0.000 0.249 185 N C -0.424 175.086 175.510 -0.000 0.000 1.125 185 N CA 1.365 54.415 53.050 -0.001 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 -0.744 119.647 120.400 -0.015 0.000 3.093 186 D HA 0.141 4.782 4.640 0.001 0.000 0.206 186 D C 1.122 177.410 176.300 -0.019 0.000 1.512 186 D CA 0.196 54.190 54.000 -0.010 0.000 1.420 186 D CB -0.353 40.440 40.800 -0.011 0.000 1.166 186 D HN -0.015 nan 8.370 nan 0.000 0.285 187 K N 2.192 122.570 120.400 -0.035 0.000 2.574 187 K HA -0.049 4.271 4.320 0.001 0.000 0.193 187 K C 1.604 178.156 176.600 -0.080 0.000 1.035 187 K CA 0.284 56.544 56.287 -0.045 0.000 0.982 187 K CB 0.002 32.472 32.500 -0.050 0.000 0.795 187 K HN 0.028 nan 8.250 nan 0.000 0.491 188 K N 1.769 122.111 120.400 -0.098 0.000 2.077 188 K HA -0.313 4.007 4.320 0.001 0.000 0.213 188 K C 1.399 177.932 176.600 -0.112 0.000 1.051 188 K CA 2.381 58.556 56.287 -0.186 0.000 0.929 188 K CB -0.376 32.090 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 4.518 4.640 0.001 0.000 0.197 189 D C 1.434 177.783 176.300 0.082 0.000 0.987 189 D CA 1.360 55.424 54.000 0.107 0.000 0.829 189 D CB 0.004 40.848 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 0.001 0.000 0.195 190 E C 1.917 178.520 176.600 0.006 0.000 1.029 190 E CA 0.180 56.593 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 -0.796 118.769 119.600 -0.060 0.000 2.466 191 M HA 0.007 4.488 4.480 0.001 0.000 0.265 191 M C 1.232 177.500 176.300 -0.053 0.000 1.122 191 M CA 0.712 55.943 55.300 -0.114 0.000 1.157 191 M CB 0.164 32.618 32.600 -0.243 0.000 1.352 191 M HN 0.110 nan 8.290 nan 0.000 0.464 192 Y N 0.568 120.935 120.300 0.112 0.000 2.373 192 Y HA -0.015 4.535 4.550 0.001 0.000 0.293 192 Y C 2.482 178.566 175.900 0.307 0.000 1.129 192 Y CA 0.798 59.038 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 -0.718 119.967 120.500 0.308 0.000 2.080 193 R HA -0.165 4.175 4.340 0.001 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 0.920 116.699 115.700 0.133 0.000 2.406 194 S HA -0.017 4.453 4.470 0.001 0.000 0.228 194 S C 1.964 176.615 174.600 0.086 0.000 1.020 194 S CA 0.459 58.712 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 -0.175 121.107 121.223 0.098 0.000 1.955 195 L HA -0.093 4.247 4.340 0.001 0.000 0.213 195 L C 1.860 178.699 176.870 -0.052 0.000 1.072 195 L CA 1.997 56.833 54.840 -0.007 0.000 0.755 195 L CB -0.429 41.612 42.059 -0.030 0.000 0.888 195 L HN 0.376 nan 8.230 nan 0.000 0.432 196 F N -0.329 119.692 119.950 0.118 0.000 2.502 196 F HA -0.151 4.376 4.527 0.001 0.000 0.298 196 F C 2.650 178.500 175.800 0.083 0.000 1.111 196 F CA 1.040 59.103 58.000 0.106 0.000 1.445 196 F CB -0.353 38.706 39.000 0.099 0.000 1.081 196 F HN 0.286 nan 8.300 nan 0.000 0.558 197 Q N 0.755 120.684 119.800 0.215 0.000 2.084 197 Q HA -0.214 4.126 4.340 0.001 0.000 0.202 197 Q C 1.517 177.572 176.000 0.092 0.000 0.978 197 Q CA 2.067 57.951 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 0.237 120.677 120.400 0.067 0.000 2.097 198 D HA -0.148 4.493 4.640 0.001 0.000 0.195 198 D C 1.983 178.305 176.300 0.036 0.000 0.989 198 D CA 0.881 54.903 54.000 0.037 0.000 0.827 198 D CB -0.132 40.678 40.800 0.017 0.000 0.966 198 D HN 0.209 nan 8.370 nan 0.000 0.456 199 L N 1.270 122.517 121.223 0.041 0.000 1.982 199 L HA -0.075 4.265 4.340 0.001 0.000 0.206 199 L C 2.319 179.243 176.870 0.091 0.000 1.078 199 L CA 1.359 56.230 54.840 0.050 0.000 0.749 199 L CB -0.928 41.156 42.059 0.041 0.000 0.894 199 L HN -0.087 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 4.087 4.350 0.001 0.000 0.202 200 E C 2.029 178.680 176.600 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 -1.192 120.072 121.223 0.068 0.000 2.463 201 L HA 0.201 4.541 4.340 0.001 0.000 0.219 201 L C 1.859 178.736 176.870 0.013 0.000 1.088 201 L CA 1.109 55.970 54.840 0.036 0.000 0.849 201 L CB -0.124 41.959 42.059 0.040 0.000 1.012 201 L HN -0.219 nan 8.230 nan 0.000 0.468 202 K N 1.370 121.776 120.400 0.010 0.000 2.589 202 K HA -0.024 4.297 4.320 0.001 0.000 0.192 202 K C -0.174 176.406 176.600 -0.034 0.000 1.029 202 K CA 0.018 56.299 56.287 -0.010 0.000 1.031 202 K CB -0.090 32.403 32.500 -0.010 0.000 0.821 202 K HN 0.333 nan 8.250 nan 0.000 0.502 203 K N 1.063 121.441 120.400 -0.037 0.000 3.078 203 K HA -0.218 4.102 4.320 0.001 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 1.048 121.180 120.200 -0.113 0.000 2.046 204 E HA 0.136 4.487 4.350 0.001 0.000 0.279 204 E C 0.410 176.880 176.600 -0.217 0.000 0.989 204 E CA -0.460 55.853 56.400 -0.146 0.000 0.798 204 E CB 0.564 30.217 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 0.001 0.000 0.300 205 R C -0.097 175.922 176.300 -0.468 0.000 0.970 205 R CA -0.280 55.426 56.100 -0.656 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 1.258 121.462 120.500 -0.494 0.000 2.229 206 R HA 0.384 4.725 4.340 0.001 0.000 0.328 206 R C -0.919 175.151 176.300 -0.383 0.000 1.009 206 R CA -0.269 55.348 56.100 -0.804 0.000 0.864 206 R CB 1.876 31.153 30.300 -1.706 0.000 1.085 206 R HN -0.168 nan 8.270 nan 0.000 0.453 207 V N 5.188 125.053 119.914 -0.081 0.000 2.623 207 V HA 0.377 4.498 4.120 0.001 0.000 0.304 207 V C -0.373 175.956 176.094 0.392 0.000 1.054 207 V CA -0.852 61.579 62.300 0.219 0.000 0.882 207 V CB 2.188 34.174 31.823 0.272 0.000 1.002 207 V HN 0.612 nan 8.190 nan 0.000 0.424 208 I N 5.474 126.281 120.570 0.396 0.000 2.336 208 I HA 0.439 4.610 4.170 0.001 0.000 0.292 208 I C -0.293 175.938 176.117 0.190 0.000 0.991 208 I CA -0.372 61.126 61.300 0.329 0.000 1.227 208 I CB 1.665 39.901 38.000 0.392 0.000 1.366 208 I HN 0.434 nan 8.210 nan 0.000 0.466 209 L N 5.893 127.222 121.223 0.177 0.000 2.277 209 L HA 0.336 4.676 4.340 0.001 0.000 0.284 209 L C -0.184 176.717 176.870 0.051 0.000 1.028 209 L CA -0.269 54.625 54.840 0.090 0.000 0.835 209 L CB 1.003 43.129 42.059 0.111 0.000 1.215 209 L HN 0.456 nan 8.230 nan 0.000 0.425 210 D N 3.785 124.151 120.400 -0.057 0.000 2.517 210 D HA 0.388 5.028 4.640 0.001 0.000 0.301 210 D C -0.638 175.674 176.300 0.020 0.000 1.202 210 D CA -0.215 53.775 54.000 -0.016 0.000 0.910 210 D CB 0.510 41.259 40.800 -0.086 0.000 1.021 210 D HN 0.562 nan 8.370 nan 0.000 0.499 211 C N -0.345 118.984 119.300 0.049 0.000 3.311 211 C HA 0.639 5.100 4.460 0.001 0.000 0.366 211 C C 0.066 175.102 174.990 0.076 0.000 1.694 211 C CA -1.073 57.976 59.018 0.051 0.000 1.244 211 C CB 0.669 28.425 27.740 0.027 0.000 2.038 211 C HN 0.303 nan 8.230 nan 0.000 0.436 212 E N 0.450 120.692 120.200 0.070 0.000 2.373 212 E HA 0.220 4.570 4.350 0.001 0.000 0.267 212 E C 0.702 177.348 176.600 0.077 0.000 1.032 212 E CA -0.124 56.326 56.400 0.084 0.000 0.889 212 E CB 0.844 30.588 29.700 0.073 0.000 0.984 212 E HN 0.448 nan 8.360 nan 0.000 0.425 213 R N 1.884 122.437 120.500 0.090 0.000 2.134 213 R HA -0.236 4.104 4.340 0.001 0.000 0.248 213 R C 1.382 177.711 176.300 0.047 0.000 1.143 213 R CA 1.954 58.099 56.100 0.075 0.000 0.957 213 R CB -0.204 30.148 30.300 0.086 0.000 0.867 213 R HN 0.518 nan 8.270 nan 0.000 0.441 214 D N 0.057 120.486 120.400 0.048 0.000 2.144 214 D HA -0.140 4.500 4.640 0.001 0.000 0.199 214 D C 1.681 178.003 176.300 0.036 0.000 0.984 214 D CA 1.085 55.108 54.000 0.037 0.000 0.834 214 D CB -0.121 40.703 40.800 0.042 0.000 0.955 214 D HN 0.027 nan 8.370 nan 0.000 0.465 215 K N 0.375 120.803 120.400 0.048 0.000 2.280 215 K HA -0.054 4.266 4.320 0.001 0.000 0.202 215 K C 1.786 178.405 176.600 0.031 0.000 1.047 215 K CA 0.309 56.632 56.287 0.060 0.000 0.942 215 K CB -0.111 32.427 32.500 0.064 0.000 0.739 215 K HN -0.037 nan 8.250 nan 0.000 0.457 216 V N 1.329 121.249 119.914 0.011 0.000 2.270 216 V HA -0.274 3.846 4.120 0.001 0.000 0.245 216 V C 1.665 177.715 176.094 -0.073 0.000 1.043 216 V CA 2.025 64.308 62.300 -0.029 0.000 1.014 216 V CB -0.648 31.162 31.823 -0.022 0.000 0.645 216 V HN 0.378 nan 8.190 nan 0.000 0.447 217 N N 0.767 119.433 118.700 -0.056 0.000 2.069 217 N HA -0.180 4.560 4.740 0.001 0.000 0.191 217 N C 1.464 176.922 175.510 -0.087 0.000 1.031 217 N CA 1.784 54.790 53.050 -0.072 0.000 0.852 217 N CB -0.703 37.760 38.487 -0.041 0.000 1.018 217 N HN 0.479 nan 8.380 nan 0.000 0.423 218 D N 0.333 120.699 120.400 -0.056 0.000 2.178 218 D HA -0.052 4.589 4.640 0.001 0.000 0.201 218 D C 1.958 178.105 176.300 -0.255 0.000 0.980 218 D CA 0.567 54.522 54.000 -0.076 0.000 0.842 218 D CB -0.133 40.701 40.800 0.058 0.000 0.948 218 D HN 0.365 nan 8.370 nan 0.000 0.472 219 I N -0.240 120.211 120.570 -0.198 0.000 2.494 219 I HA -0.132 4.039 4.170 0.001 0.000 0.250 219 I C 2.213 178.250 176.117 -0.133 0.000 1.112 219 I CA 0.284 61.459 61.300 -0.208 0.000 1.438 219 I CB 0.102 38.076 38.000 -0.043 0.000 1.111 219 I HN -0.143 nan 8.210 nan 0.000 0.431 220 V N 0.883 120.691 119.914 -0.178 0.000 2.343 220 V HA -0.300 3.821 4.120 0.001 0.000 0.247 220 V C 2.192 178.168 176.094 -0.197 0.000 1.051 220 V CA 2.222 64.385 62.300 -0.229 0.000 1.036 220 V CB -0.618 31.025 31.823 -0.301 0.000 0.654 220 V HN 0.450 nan 8.190 nan 0.000 0.451 221 D N -0.287 120.004 120.400 -0.183 0.000 2.218 221 D HA -0.216 4.425 4.640 0.001 0.000 0.204 221 D C 2.121 178.289 176.300 -0.221 0.000 0.976 221 D CA 1.105 55.006 54.000 -0.165 0.000 0.853 221 D CB -0.039 40.685 40.800 -0.126 0.000 0.939 221 D HN 0.425 nan 8.370 nan 0.000 0.481 222 Q N -0.585 119.028 119.800 -0.311 0.000 2.369 222 Q HA 0.026 4.366 4.340 0.001 0.000 0.206 222 Q C 1.749 177.358 176.000 -0.651 0.000 0.963 222 Q CA 0.638 56.167 55.803 -0.457 0.000 0.894 222 Q CB 0.140 28.544 28.738 -0.557 0.000 0.965 222 Q HN 0.204 nan 8.270 nan 0.000 0.475 223 V N 0.341 119.955 119.914 -0.500 0.000 2.379 223 V HA -0.031 4.090 4.120 0.001 0.000 0.243 223 V C 1.669 177.598 176.094 -0.275 0.000 1.035 223 V CA 0.679 62.702 62.300 -0.463 0.000 1.035 223 V CB -0.504 31.109 31.823 -0.350 0.000 0.673 223 V HN 0.426 nan 8.190 nan 0.000 0.457 231 K N 1.858 122.351 120.400 0.155 0.000 2.426 231 K HA 0.238 4.559 4.320 0.001 0.000 0.193 231 K C 1.569 178.218 176.600 0.082 0.000 1.028 231 K CA 1.207 57.562 56.287 0.113 0.000 1.047 231 K CB 0.202 32.743 32.500 0.069 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 0.070 0.000 2.985 232 G HA2 -0.019 3.942 3.960 0.001 0.000 0.209 232 G HA3 -0.019 3.942 3.960 0.001 0.000 0.209 232 G C -0.388 174.429 174.900 -0.140 0.000 1.165 232 G CA -0.239 44.829 45.100 -0.053 0.000 0.776 232 G HN 0.155 nan 8.290 nan 0.000 0.541 233 Y N -0.140 120.092 120.300 -0.113 0.000 2.336 233 Y HA 0.402 4.953 4.550 0.001 0.000 0.331 233 Y C 0.408 176.172 175.900 -0.226 0.000 1.211 233 Y CA -0.281 57.667 58.100 -0.254 0.000 1.346 233 Y CB 0.834 39.042 38.460 -0.420 0.000 1.271 233 Y HN 0.179 nan 8.280 nan 0.000 0.538 234 H N 2.766 121.685 119.070 -0.251 0.000 2.727 234 H HA 0.366 4.922 4.556 0.001 0.000 0.330 234 H C -1.715 173.575 175.328 -0.064 0.000 0.986 234 H CA -0.879 55.102 56.048 -0.112 0.000 1.251 234 H CB 0.618 30.374 29.762 -0.010 0.000 1.493 234 H HN 0.616 nan 8.280 nan 0.000 0.515 235 Y N 4.289 124.918 120.300 0.549 0.000 2.342 235 Y HA 0.309 4.860 4.550 0.001 0.000 0.334 235 Y C -0.390 175.718 175.900 0.346 0.000 1.067 235 Y CA -1.003 57.326 58.100 0.382 0.000 1.128 235 Y CB 0.987 39.606 38.460 0.266 0.000 1.200 235 Y HN 0.476 nan 8.280 nan 0.000 0.464 236 I N 4.384 125.190 120.570 0.393 0.000 2.378 236 I HA 0.281 4.451 4.170 0.001 0.000 0.291 236 I C -0.734 175.545 176.117 0.271 0.000 0.992 236 I CA -1.543 59.885 61.300 0.214 0.000 1.154 236 I CB 0.954 38.959 38.000 0.009 0.000 1.315 236 I HN 0.356 nan 8.210 nan 0.000 0.448 237 I N 5.635 126.373 120.570 0.280 0.000 2.301 237 I HA 0.381 4.551 4.170 0.001 0.000 0.292 237 I C 0.847 177.176 176.117 0.354 0.000 1.046 237 I CA -0.131 61.347 61.300 0.296 0.000 1.282 237 I CB 1.013 39.215 38.000 0.336 0.000 1.409 237 I HN 0.668 nan 8.210 nan 0.000 0.484 238 A N 6.026 129.018 122.820 0.286 0.000 3.118 238 A HA 0.459 4.780 4.320 0.001 0.000 0.256 238 A C 0.117 177.786 177.584 0.141 0.000 1.667 238 A CA -0.226 51.959 52.037 0.248 0.000 1.338 238 A CB -1.335 17.771 19.000 0.176 0.000 1.127 238 A HN 0.801 nan 8.150 nan 0.000 0.634 239 N N -1.500 117.307 118.700 0.179 0.000 2.853 239 N HA 0.412 5.152 4.740 0.001 0.000 0.258 239 N C -0.468 174.995 175.510 -0.078 0.000 1.444 239 N CA -0.920 52.142 53.050 0.020 0.000 0.837 239 N CB 0.543 39.085 38.487 0.092 0.000 1.489 239 N HN -0.052 nan 8.380 nan 0.000 0.529 240 L N -0.938 119.969 121.223 -0.528 0.000 2.629 240 L HA 0.448 4.788 4.340 0.001 0.000 0.230 240 L C 0.754 177.362 176.870 -0.437 0.000 1.151 240 L CA 0.053 54.561 54.840 -0.553 0.000 0.924 240 L CB 0.058 41.670 42.059 -0.744 0.000 1.137 240 L HN 0.878 nan 8.230 nan 0.000 0.457 241 G N -1.542 107.144 108.800 -0.189 0.000 4.956 241 G HA2 0.053 4.013 3.960 0.001 0.000 0.290 241 G HA3 0.053 4.013 3.960 0.001 0.000 0.290 241 G C 0.376 175.432 174.900 0.260 0.000 1.352 241 G CA -0.363 44.855 45.100 0.196 0.000 0.983 241 G HN 0.029 nan 8.290 nan 0.000 0.581 242 F N 2.075 122.085 119.950 0.099 0.000 2.087 242 F HA -0.177 4.350 4.527 0.001 0.000 0.299 242 F C 2.570 178.433 175.800 0.105 0.000 1.100 242 F CA 2.405 60.460 58.000 0.091 0.000 1.226 242 F CB 0.126 39.161 39.000 0.059 0.000 0.983 242 F HN 0.311 nan 8.300 nan 0.000 0.479 243 T N -2.397 112.258 114.554 0.169 0.000 3.206 243 T HA 0.140 4.490 4.350 0.001 0.000 0.253 243 T C 0.076 174.832 174.700 0.094 0.000 1.042 243 T CA -0.393 61.741 62.100 0.057 0.000 0.931 243 T CB -0.726 68.246 68.868 0.173 0.000 1.029 243 T HN -0.050 nan 8.240 nan 0.000 0.564 244 D N 1.983 122.463 120.400 0.133 0.000 2.382 244 D HA 0.505 5.145 4.640 0.001 0.000 0.245 244 D C 1.381 177.737 176.300 0.093 0.000 1.120 244 D CA 1.080 55.176 54.000 0.160 0.000 0.890 244 D CB 0.693 41.632 40.800 0.230 0.000 1.201 244 D HN 0.466 nan 8.370 nan 0.000 0.433 245 G N 3.062 111.920 108.800 0.097 0.000 2.591 245 G HA2 -0.314 3.647 3.960 0.001 0.000 0.278 245 G HA3 -0.314 3.647 3.960 0.001 0.000 0.278 245 G C 0.444 175.361 174.900 0.028 0.000 1.293 245 G CA 0.591 45.732 45.100 0.068 0.000 0.930 245 G HN 0.684 nan 8.290 nan 0.000 0.562 246 D N -0.235 120.175 120.400 0.017 0.000 2.319 246 D HA 0.284 4.925 4.640 0.001 0.000 0.230 246 D C 2.104 178.386 176.300 -0.030 0.000 1.094 246 D CA 0.489 54.486 54.000 -0.005 0.000 0.856 246 D CB 0.294 41.096 40.800 0.003 0.000 0.915 246 D HN 0.513 nan 8.370 nan 0.000 0.517 247 L N 0.072 121.274 121.223 -0.035 0.000 2.113 247 L HA -0.187 4.153 4.340 0.001 0.000 0.221 247 L C 1.126 177.927 176.870 -0.114 0.000 1.084 247 L CA 1.705 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 0.161 121.301 121.223 -0.138 0.000 2.934 248 L HA 0.061 4.402 4.340 0.001 0.000 0.233 248 L C 1.136 177.963 176.870 -0.071 0.000 1.358 248 L CA 0.049 54.803 54.840 -0.144 0.000 1.233 248 L CB -0.551 41.389 42.059 -0.197 0.000 1.594 248 L HN 0.187 nan 8.230 nan 0.000 0.439 249 K N 1.459 121.828 120.400 -0.051 0.000 2.627 249 K HA 0.185 4.505 4.320 0.001 0.000 0.212 249 K C -0.270 176.328 176.600 -0.004 0.000 1.041 249 K CA 0.119 56.395 56.287 -0.019 0.000 1.205 249 K CB 0.295 32.785 32.500 -0.017 0.000 0.936 249 K HN 0.234 nan 8.250 nan 0.000 0.489 250 I N 1.591 122.161 120.570 0.000 0.000 2.637 250 I HA 0.028 4.198 4.170 0.001 0.000 0.285 250 I C 0.223 176.370 176.117 0.051 0.000 1.222 250 I CA -0.215 61.115 61.300 0.050 0.000 1.067 250 I CB 1.841 39.878 38.000 0.062 0.000 1.279 250 I HN 0.157 nan 8.210 nan 0.000 0.441 251 Q N 3.152 122.978 119.800 0.044 0.000 2.436 251 Q HA 0.033 4.373 4.340 0.001 0.000 0.209 251 Q C 0.998 176.948 176.000 -0.083 0.000 0.965 251 Q CA 1.350 57.130 55.803 -0.040 0.000 0.910 251 Q CB 0.271 28.945 28.738 -0.106 0.000 0.980 251 Q HN 0.575 nan 8.270 nan 0.000 0.491 252 F N 0.200 120.154 119.950 0.006 0.000 2.743 252 F HA 0.134 4.662 4.527 0.001 0.000 0.297 252 F C 1.464 177.272 175.800 0.013 0.000 1.131 252 F CA -0.084 57.922 58.000 0.010 0.000 1.426 252 F CB 0.174 39.178 39.000 0.005 0.000 1.116 252 F HN -0.069 nan 8.300 nan 0.000 0.583 253 G N 0.574 109.469 108.800 0.158 0.000 2.343 253 G HA2 0.349 4.309 3.960 0.001 0.000 0.254 253 G HA3 0.349 4.309 3.960 0.001 0.000 0.254 253 G C 0.512 175.468 174.900 0.092 0.000 1.277 253 G CA -0.169 44.996 45.100 0.107 0.000 0.909 253 G HN 0.321 nan 8.290 nan 0.000 0.502 254 G N 0.237 109.092 108.800 0.092 0.000 2.432 254 G HA2 0.628 4.588 3.960 0.001 0.000 0.239 254 G HA3 0.628 4.588 3.960 0.001 0.000 0.239 254 G C 0.322 175.286 174.900 0.108 0.000 1.291 254 G CA 0.813 45.963 45.100 0.084 0.000 0.863 254 G HN 2.092 nan 8.290 nan 0.000 0.560 255 A N 2.037 124.912 122.820 0.092 0.000 2.262 255 A HA 0.094 4.414 4.320 0.001 0.000 0.636 255 A C -0.442 177.193 177.584 0.084 0.000 0.153 255 A CA -0.899 51.213 52.037 0.125 0.000 0.159 255 A CB -0.774 18.381 19.000 0.259 0.000 3.663 255 A HN 0.800 nan 8.150 nan 0.000 0.520 256 N N 0.487 119.166 118.700 -0.035 0.000 2.475 256 N HA 0.467 5.207 4.740 0.001 0.000 0.267 256 N C -0.364 175.127 175.510 -0.031 0.000 1.169 256 N CA 0.130 53.045 53.050 -0.224 0.000 0.947 256 N CB 1.286 39.336 38.487 -0.728 0.000 1.061 256 N HN 0.744 nan 8.380 nan 0.000 0.466 257 V N 1.094 121.068 119.914 0.099 0.000 2.531 257 V HA 0.521 4.642 4.120 0.001 0.000 0.301 257 V C -0.087 176.199 176.094 0.320 0.000 1.034 257 V CA -0.659 61.846 62.300 0.341 0.000 0.865 257 V CB 1.739 33.779 31.823 0.361 0.000 0.995 257 V HN 0.606 nan 8.190 nan 0.000 0.424 258 S N 1.807 117.686 115.700 0.297 0.000 2.634 258 S HA 1.016 5.486 4.470 0.001 0.000 0.296 258 S C 0.187 174.589 174.600 -0.329 0.000 1.104 258 S CA -0.128 58.027 58.200 -0.076 0.000 0.920 258 S CB 2.272 65.532 63.200 0.100 0.000 1.111 258 S HN 1.312 nan 8.310 nan 0.000 0.493 259 G N 0.042 108.273 108.800 -0.948 0.000 2.428 259 G HA2 0.613 4.574 3.960 0.001 0.000 0.305 259 G HA3 0.613 4.574 3.960 0.001 0.000 0.305 259 G C -2.335 171.879 174.900 -1.144 0.000 1.260 259 G CA -0.625 43.936 45.100 -0.898 0.000 0.853 259 G HN 0.449 nan 8.290 nan 0.000 0.480 260 F N -0.444 119.414 119.950 -0.153 0.000 2.576 260 F HA 0.798 5.326 4.527 0.001 0.000 0.313 260 F C -0.070 175.716 175.800 -0.023 0.000 1.078 260 F CA -0.734 57.203 58.000 -0.105 0.000 0.921 260 F CB 2.908 41.844 39.000 -0.106 0.000 1.232 260 F HN 0.484 nan 8.300 nan 0.000 0.459 261 Q N 1.926 121.819 119.800 0.155 0.000 2.263 261 Q HA 0.436 4.776 4.340 0.001 0.000 0.262 261 Q C -0.499 175.543 176.000 0.070 0.000 0.984 261 Q CA -0.522 55.349 55.803 0.113 0.000 0.813 261 Q CB 1.548 30.363 28.738 0.127 0.000 1.299 261 Q HN 0.589 nan 8.270 nan 0.000 0.428 262 I N 1.263 121.849 120.570 0.027 0.000 3.783 262 I HA 0.279 4.450 4.170 0.001 0.000 0.310 262 I C -0.134 175.960 176.117 -0.038 0.000 1.274 262 I CA 0.115 61.421 61.300 0.010 0.000 1.294 262 I CB -0.287 37.709 38.000 -0.006 0.000 1.051 262 I HN 0.280 nan 8.210 nan 0.000 0.435 263 V N 4.124 123.984 119.914 -0.089 0.000 2.333 263 V HA 0.324 4.444 4.120 0.001 0.000 0.274 263 V C -0.546 175.319 176.094 -0.383 0.000 1.028 263 V CA -0.422 61.720 62.300 -0.263 0.000 0.851 263 V CB 1.078 32.680 31.823 -0.369 0.000 1.000 263 V HN 0.186 nan 8.190 nan 0.000 0.456 264 D N 3.863 124.093 120.400 -0.284 0.000 2.396 264 D HA 0.207 4.847 4.640 0.001 0.000 0.225 264 D C 0.404 176.584 176.300 -0.199 0.000 1.121 264 D CA -0.289 53.603 54.000 -0.181 0.000 0.853 264 D CB 0.992 41.748 40.800 -0.073 0.000 1.043 264 D HN 0.501 nan 8.370 nan 0.000 0.500 265 Y N 1.405 121.731 120.300 0.044 0.000 2.616 265 Y HA -0.037 4.513 4.550 0.001 0.000 0.296 265 Y C 1.592 177.516 175.900 0.040 0.000 1.154 265 Y CA 0.379 58.506 58.100 0.045 0.000 1.325 265 Y CB 0.259 38.751 38.460 0.054 0.000 1.007 265 Y HN 0.365 nan 8.280 nan 0.000 0.542 266 D N -0.695 119.785 120.400 0.134 0.000 2.349 266 D HA -0.023 4.618 4.640 0.001 0.000 0.215 266 D C -0.148 176.183 176.300 0.051 0.000 1.016 266 D CA 0.471 54.524 54.000 0.089 0.000 0.870 266 D CB -0.065 40.777 40.800 0.070 0.000 0.917 266 D HN 0.219 nan 8.370 nan 0.000 0.524 267 D N -0.307 120.110 120.400 0.029 0.000 2.345 267 D HA -0.003 4.638 4.640 0.001 0.000 0.247 267 D C 1.314 177.632 176.300 0.031 0.000 1.108 267 D CA 0.015 54.021 54.000 0.011 0.000 0.894 267 D CB 1.718 42.507 40.800 -0.018 0.000 1.203 267 D HN -0.222 nan 8.370 nan 0.000 0.430 268 S N 2.193 117.910 115.700 0.028 0.000 2.370 268 S HA -0.175 4.296 4.470 0.001 0.000 0.226 268 S C 1.868 176.501 174.600 0.055 0.000 1.033 268 S CA 0.938 59.163 58.200 0.040 0.000 1.011 268 S CB -0.235 62.984 63.200 0.031 0.000 0.852 268 S HN 0.546 nan 8.310 nan 0.000 0.457 269 L N 0.999 122.252 121.223 0.050 0.000 2.046 269 L HA -0.046 4.295 4.340 0.001 0.000 0.208 269 L C 2.276 179.202 176.870 0.092 0.000 1.077 269 L CA 1.446 56.330 54.840 0.073 0.000 0.747 269 L CB -0.297 41.798 42.059 0.059 0.000 0.896 269 L HN 0.248 nan 8.230 nan 0.000 0.432 270 V N -1.176 118.770 119.914 0.054 0.000 2.307 270 V HA -0.262 3.858 4.120 0.001 0.000 0.245 270 V C 2.682 178.875 176.094 0.165 0.000 1.045 270 V CA 1.807 64.144 62.300 0.061 0.000 1.024 270 V CB -0.373 31.422 31.823 -0.046 0.000 0.651 270 V HN 0.552 nan 8.190 nan 0.000 0.449 271 S N -0.162 115.618 115.700 0.133 0.000 2.370 271 S HA -0.306 4.164 4.470 0.001 0.000 0.226 271 S C 2.112 176.783 174.600 0.118 0.000 1.033 271 S CA 2.324 60.605 58.200 0.134 0.000 1.011 271 S CB -0.265 62.992 63.200 0.096 0.000 0.852 271 S HN 0.517 nan 8.310 nan 0.000 0.457 272 K N 0.575 121.041 120.400 0.110 0.000 2.057 272 K HA -0.053 4.267 4.320 0.001 0.000 0.207 272 K C 1.761 178.420 176.600 0.100 0.000 1.049 272 K CA 1.728 58.069 56.287 0.091 0.000 0.931 272 K CB -0.934 31.620 32.500 0.089 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 0.001 0.000 0.298 273 F C 1.522 177.318 175.800 -0.006 0.000 1.104 273 F CA 1.471 59.434 58.000 -0.063 0.000 1.232 273 F CB -0.245 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 1.064 121.683 120.570 0.082 0.000 2.394 274 I HA -0.227 3.943 4.170 0.001 0.000 0.251 274 I C 2.222 178.333 176.117 -0.009 0.000 1.136 274 I CA 1.183 62.517 61.300 0.056 0.000 1.425 274 I CB -1.072 37.050 38.000 0.203 0.000 1.079 274 I HN 0.240 nan 8.210 nan 0.000 0.425 275 E N 0.033 120.227 120.200 -0.009 0.000 2.130 275 E HA -0.287 4.063 4.350 0.001 0.000 0.196 275 E C 2.329 178.889 176.600 -0.067 0.000 0.998 275 E CA 1.270 57.656 56.400 -0.024 0.000 0.806 275 E CB -0.134 29.562 29.700 -0.007 0.000 0.738 275 E HN 0.436 nan 8.360 nan 0.000 0.459 276 R N 0.035 120.455 120.500 -0.134 0.000 2.075 276 R HA -0.069 4.271 4.340 0.001 0.000 0.220 276 R C 2.232 178.417 176.300 -0.191 0.000 1.118 276 R CA 0.673 56.672 56.100 -0.169 0.000 0.986 276 R CB -0.248 29.924 30.300 -0.213 0.000 0.884 276 R HN 0.319 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 -0.192 4.468 4.660 0.001 0.000 0.297 277 W C 1.715 178.098 176.519 -0.227 0.000 1.213 277 W CA 1.969 59.013 57.345 -0.502 0.000 1.251 277 W CB -0.224 28.811 29.460 -0.708 0.000 1.136 277 W HN 0.228 nan 8.180 nan 0.000 0.526 278 S N -0.381 115.298 115.700 -0.034 0.000 2.507 278 S HA -0.178 4.292 4.470 0.001 0.000 0.235 278 S C 1.480 176.023 174.600 -0.094 0.000 0.988 278 S CA 1.660 59.805 58.200 -0.091 0.000 0.944 278 S CB -0.864 62.305 63.200 -0.053 0.000 0.762 278 S HN 0.321 nan 8.310 nan 0.000 0.526 279 T N -0.975 113.548 114.554 -0.051 0.000 3.023 279 T HA 0.421 4.771 4.350 0.001 0.000 0.253 279 T C 0.521 175.241 174.700 0.033 0.000 1.038 279 T CA -0.540 61.580 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 2.096 123.269 121.223 -0.084 0.000 2.467 280 L HA 0.267 4.607 4.340 0.001 0.000 0.270 280 L C 0.560 177.363 176.870 -0.112 0.000 1.205 280 L CA -0.447 54.313 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 2.006 122.172 120.200 -0.056 0.000 2.290 281 E HA 0.008 4.359 4.350 0.001 0.000 0.277 281 E C 0.606 177.133 176.600 -0.123 0.000 1.035 281 E CA 0.058 56.372 56.400 -0.143 0.000 0.873 281 E CB 1.063 30.707 29.700 -0.093 0.000 1.029 281 E HN 0.513 nan 8.360 nan 0.000 0.419 282 E N 2.301 122.380 120.200 -0.203 0.000 2.110 282 E HA -0.198 4.152 4.350 0.001 0.000 0.193 282 E C 1.637 178.182 176.600 -0.093 0.000 0.988 282 E CA 0.747 57.074 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 1.312 121.646 120.400 -0.109 0.000 2.057 283 K HA -0.211 4.109 4.320 0.001 0.000 0.207 283 K C 1.934 178.453 176.600 -0.134 0.000 1.049 283 K CA 1.413 57.640 56.287 -0.100 0.000 0.931 283 K CB -0.015 32.428 32.500 -0.095 0.000 0.714 283 K HN 0.156 nan 8.250 nan 0.000 0.440 284 E N -1.291 118.798 120.200 -0.185 0.000 2.122 284 E HA -0.109 4.242 4.350 0.001 0.000 0.190 284 E C -0.240 176.027 176.600 -0.555 0.000 0.977 284 E CA 0.575 56.751 56.400 -0.373 0.000 0.820 284 E CB 0.256 29.700 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 0.001 0.000 0.359 285 Y C -2.401 173.406 175.900 -0.156 0.000 1.030 285 Y CA -3.076 54.931 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 1.663 64.784 63.100 0.035 0.000 0.763 286 P CB 0.778 32.511 31.700 0.054 0.000 0.807 287 G N 1.153 109.988 108.800 0.059 0.000 2.217 287 G HA2 -0.163 3.798 3.960 0.001 0.000 0.246 287 G HA3 -0.163 3.798 3.960 0.001 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 -1.522 121.115 122.820 -0.306 0.000 2.951 288 A HA 0.743 5.063 4.320 0.001 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 -0.976 0.000 0.868 288 A CB 0.070 18.059 19.000 -1.685 0.000 1.712 288 A HN 1.656 nan 8.150 nan 0.000 0.558 289 H N -0.851 117.843 119.070 -0.626 0.000 2.826 289 H HA -0.150 4.407 4.556 0.001 0.000 0.306 289 H C -0.306 174.931 175.328 -0.151 0.000 1.235 289 H CA 0.869 56.740 56.048 -0.295 0.000 1.150 289 H CB -1.428 28.219 29.762 -0.191 0.000 1.409 289 H HN 1.096 nan 8.280 nan 0.000 0.420 290 T N -3.476 110.994 114.554 -0.139 0.000 2.865 290 T HA 0.387 4.737 4.350 0.001 0.000 0.294 290 T C 1.184 175.956 174.700 0.121 0.000 1.119 290 T CA -0.198 61.905 62.100 0.005 0.000 1.007 290 T CB 1.772 70.726 68.868 0.144 0.000 1.225 290 T HN 0.154 nan 8.240 nan 0.000 0.515 291 T N -1.563 113.022 114.554 0.052 0.000 3.086 291 T HA 0.346 4.696 4.350 0.001 0.000 0.250 291 T C 0.797 175.478 174.700 -0.032 0.000 1.074 291 T CA 0.413 62.528 62.100 0.026 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 -0.616 113.977 114.554 0.066 0.000 2.887 292 T HA 0.766 5.117 4.350 0.001 0.000 0.292 292 T C -1.054 173.812 174.700 0.276 0.000 1.087 292 T CA -1.044 61.086 62.100 0.051 0.000 1.009 292 T CB 2.178 71.019 68.868 -0.045 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 0.293 0.000 2.656 293 I HA 0.461 4.631 4.170 0.001 0.000 0.292 293 I C -0.821 175.391 176.117 0.159 0.000 1.144 293 I CA -1.038 60.339 61.300 0.128 0.000 1.038 293 I CB 2.022 39.865 38.000 -0.262 0.000 1.244 293 I HN 0.684 nan 8.210 nan 0.000 0.420 294 K N 5.581 126.071 120.400 0.151 0.000 2.414 294 K HA 0.034 4.354 4.320 0.001 0.000 0.272 294 K C 0.439 177.097 176.600 0.097 0.000 0.993 294 K CA 0.166 56.542 56.287 0.148 0.000 0.964 294 K CB 0.592 33.156 32.500 0.107 0.000 0.925 294 K HN 0.650 nan 8.250 nan 0.000 0.487 295 Y N 0.440 120.799 120.300 0.098 0.000 2.274 295 Y HA -0.238 4.312 4.550 0.001 0.000 0.290 295 Y C 2.014 177.964 175.900 0.084 0.000 1.145 295 Y CA 1.633 59.770 58.100 0.062 0.000 1.203 295 Y CB -1.026 37.476 38.460 0.069 0.000 0.984 295 Y HN 0.686 nan 8.280 nan 0.000 0.533 296 T N -2.403 111.776 114.554 -0.627 0.000 2.821 296 T HA -0.155 4.195 4.350 0.001 0.000 0.267 296 T C 1.860 176.587 174.700 0.046 0.000 1.046 296 T CA 1.385 63.295 62.100 -0.316 0.000 1.139 296 T CB -0.877 67.841 68.868 -0.251 0.000 0.871 296 T HN 0.428 nan 8.240 nan 0.000 0.454 297 S N 2.063 117.799 115.700 0.061 0.000 2.368 297 S HA 0.175 4.646 4.470 0.001 0.000 0.224 297 S C 2.667 177.294 174.600 0.046 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 0.749 nan 8.310 nan 0.000 0.462 298 A N 1.703 124.490 122.820 -0.054 0.000 1.908 298 A HA -0.019 4.302 4.320 0.001 0.000 0.218 298 A C 2.093 179.684 177.584 0.013 0.000 1.181 298 A CA 1.183 53.142 52.037 -0.131 0.000 0.627 298 A CB -0.762 18.149 19.000 -0.150 0.000 0.818 298 A HN 0.458 nan 8.150 nan 0.000 0.445 299 L N -0.862 120.401 121.223 0.067 0.000 2.201 299 L HA -0.125 4.215 4.340 0.001 0.000 0.212 299 L C 2.685 179.641 176.870 0.144 0.000 1.105 299 L CA 1.501 56.399 54.840 0.097 0.000 0.775 299 L CB -0.721 41.397 42.059 0.098 0.000 0.913 299 L HN 0.347 nan 8.230 nan 0.000 0.440 300 T N -1.265 113.412 114.554 0.205 0.000 2.737 300 T HA -0.236 4.115 4.350 0.001 0.000 0.265 300 T C 1.697 176.472 174.700 0.124 0.000 1.038 300 T CA 1.309 63.553 62.100 0.240 0.000 1.144 300 T CB -0.343 68.788 68.868 0.438 0.000 0.866 300 T HN 0.300 nan 8.240 nan 0.000 0.434 301 Y N 2.399 122.717 120.300 0.029 0.000 2.128 301 Y HA -0.217 4.333 4.550 0.001 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 0.017 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 0.076 120.508 120.400 0.053 0.000 2.144 302 D HA -0.173 4.467 4.640 0.001 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 -0.614 40.189 40.800 0.005 0.000 0.955 302 D HN 0.501 nan 8.370 nan 0.000 0.465 303 A N 0.452 123.250 122.820 -0.037 0.000 1.972 303 A HA -0.140 4.181 4.320 0.001 0.000 0.219 303 A C 2.464 179.974 177.584 -0.122 0.000 1.169 303 A CA 1.117 53.150 52.037 -0.006 0.000 0.635 303 A CB -0.593 18.502 19.000 0.157 0.000 0.810 303 A HN 0.165 nan 8.150 nan 0.000 0.446 304 V N -0.172 119.600 119.914 -0.237 0.000 2.427 304 V HA -0.283 3.838 4.120 0.001 0.000 0.248 304 V C 2.657 178.514 176.094 -0.395 0.000 1.051 304 V CA 2.150 64.284 62.300 -0.276 0.000 1.048 304 V CB -0.772 30.867 31.823 -0.307 0.000 0.666 304 V HN 0.765 nan 8.190 nan 0.000 0.456 305 Q N -0.116 119.239 119.800 -0.742 0.000 2.084 305 Q HA -0.180 4.160 4.340 0.001 0.000 0.202 305 Q C 2.285 177.989 176.000 -0.493 0.000 0.978 305 Q CA 2.058 57.183 55.803 -1.130 0.000 0.844 305 Q CB -0.072 27.807 28.738 -1.431 0.000 0.898 305 Q HN 0.509 nan 8.270 nan 0.000 0.426 306 V N 0.894 120.638 119.914 -0.283 0.000 2.295 306 V HA -0.319 3.801 4.120 0.001 0.000 0.246 306 V C 2.372 178.406 176.094 -0.101 0.000 1.049 306 V CA 2.016 64.246 62.300 -0.116 0.000 1.024 306 V CB -0.501 31.334 31.823 0.019 0.000 0.648 306 V HN 0.458 nan 8.190 nan 0.000 0.447 307 M N 0.324 119.887 119.600 -0.062 0.000 2.086 307 M HA -0.161 4.319 4.480 0.001 0.000 0.261 307 M C 2.468 178.844 176.300 0.127 0.000 1.067 307 M CA 2.344 57.671 55.300 0.046 0.000 1.116 307 M CB -0.891 31.818 32.600 0.182 0.000 1.348 307 M HN 0.660 nan 8.290 nan 0.000 0.407 308 T N -1.565 113.018 114.554 0.048 0.000 2.746 308 T HA -0.207 4.143 4.350 0.001 0.000 0.267 308 T C 1.549 176.269 174.700 0.033 0.000 1.039 308 T CA 1.763 63.912 62.100 0.082 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 2.088 122.247 120.200 -0.068 0.000 2.077 309 E HA 0.022 4.373 4.350 0.001 0.000 0.193 309 E C 2.326 178.874 176.600 -0.085 0.000 0.989 309 E CA 1.333 57.688 56.400 -0.074 0.000 0.800 309 E CB -0.864 28.774 29.700 -0.103 0.000 0.746 309 E HN 0.622 nan 8.360 nan 0.000 0.452 310 A N -0.187 122.549 122.820 -0.139 0.000 1.877 310 A HA -0.132 4.188 4.320 0.001 0.000 0.216 310 A C 2.031 179.448 177.584 -0.278 0.000 1.186 310 A CA 1.549 53.433 52.037 -0.255 0.000 0.620 310 A CB -0.971 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 -0.358 119.556 119.950 -0.061 0.000 2.234 311 F HA -0.040 4.488 4.527 0.001 0.000 0.299 311 F C 2.391 178.103 175.800 -0.147 0.000 1.087 311 F CA 1.444 59.394 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 0.548 121.055 120.500 0.012 0.000 2.096 312 R HA -0.154 4.187 4.340 0.001 0.000 0.235 312 R C 1.923 178.166 176.300 -0.095 0.000 1.127 312 R CA 1.639 57.681 56.100 -0.096 0.000 0.968 312 R CB -0.243 30.020 30.300 -0.062 0.000 0.861 312 R HN 0.158 nan 8.270 nan 0.000 0.440 313 N N 0.736 119.388 118.700 -0.080 0.000 2.188 313 N HA -0.122 4.618 4.740 0.001 0.000 0.184 313 N C 1.820 177.281 175.510 -0.082 0.000 1.018 313 N CA 1.025 54.027 53.050 -0.080 0.000 0.858 313 N CB -0.162 38.275 38.487 -0.083 0.000 0.989 313 N HN 0.259 nan 8.380 nan 0.000 0.426 314 L N 0.833 122.003 121.223 -0.089 0.000 2.046 314 L HA -0.117 4.223 4.340 0.001 0.000 0.208 314 L C 2.453 179.283 176.870 -0.066 0.000 1.077 314 L CA 1.119 55.915 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 0.115 120.560 120.500 -0.092 0.000 2.073 315 R HA -0.160 4.181 4.340 0.001 0.000 0.234 315 R C 2.319 178.572 176.300 -0.079 0.000 1.134 315 R CA 1.261 57.291 56.100 -0.116 0.000 0.952 315 R CB -0.276 29.866 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 0.001 0.000 0.207 316 K C 1.957 178.536 176.600 -0.035 0.000 1.048 316 K CA 1.548 57.806 56.287 -0.047 0.000 0.930 316 K CB -0.028 32.445 32.500 -0.044 0.000 0.716 316 K HN 0.270 nan 8.250 nan 0.000 0.444 317 Q N 0.020 119.795 119.800 -0.042 0.000 2.444 317 Q HA 0.095 4.435 4.340 0.001 0.000 0.206 317 Q C -0.405 175.578 176.000 -0.029 0.000 0.948 317 Q CA -0.063 55.718 55.803 -0.035 0.000 0.946 317 Q CB 0.528 29.239 28.738 -0.044 0.000 1.027 317 Q HN 0.101 nan 8.270 nan 0.000 0.513 318 R N -0.192 120.293 120.500 -0.027 0.000 3.651 318 R HA -0.186 4.154 4.340 0.001 0.000 0.292 318 R C -0.881 175.409 176.300 -0.017 0.000 1.161 318 R CA 0.650 56.741 56.100 -0.015 0.000 0.787 318 R CB -2.774 27.522 30.300 -0.006 0.000 1.249 318 R HN 0.346 nan 8.270 nan 0.000 0.476 319 I N 1.740 122.293 120.570 -0.029 0.000 2.308 319 I HA 0.067 4.238 4.170 0.001 0.000 0.293 319 I C 1.301 177.403 176.117 -0.026 0.000 1.078 319 I CA -0.036 61.245 61.300 -0.032 0.000 1.292 319 I CB 0.755 38.724 38.000 -0.051 0.000 1.423 319 I HN 0.012 nan 8.210 nan 0.000 0.493 320 E N 8.052 128.246 120.200 -0.011 0.000 2.344 320 E HA 0.182 4.533 4.350 0.001 0.000 0.270 320 E C -0.706 175.892 176.600 -0.003 0.000 1.021 320 E CA -0.306 56.096 56.400 0.004 0.000 0.887 320 E CB 0.969 30.683 29.700 0.024 0.000 0.997 320 E HN 0.524 nan 8.360 nan 0.000 0.429 329 D N 0.402 120.933 120.400 0.219 0.000 2.414 329 D HA 0.407 5.047 4.640 0.001 0.000 0.232 329 D C 1.344 177.827 176.300 0.306 0.000 1.070 329 D CA -0.454 53.682 54.000 0.226 0.000 0.839 329 D CB 1.038 41.907 40.800 0.116 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 -0.101 4.469 4.570 0.001 0.000 0.276 330 c C 2.114 176.258 174.090 0.091 0.000 1.222 330 c CA 0.694 57.126 56.329 0.172 0.000 1.746 330 c CB -0.756 41.887 42.510 0.222 0.000 2.039 330 c HN 0.680 nan 8.230 nan 0.000 0.470 331 L N 0.734 122.014 121.223 0.095 0.000 2.653 331 L HA 0.260 4.600 4.340 0.001 0.000 0.231 331 L C 1.137 178.025 176.870 0.030 0.000 1.153 331 L CA -0.317 54.551 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 0.228 nan 8.230 nan 0.000 0.473 332 A N 1.073 123.923 122.820 0.049 0.000 2.540 332 A HA 0.101 4.422 4.320 0.001 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 -0.010 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 2.327 121.032 118.700 0.008 0.000 2.399 333 N HA 0.557 5.298 4.740 0.001 0.000 0.284 333 N C -2.686 172.824 175.510 0.000 0.000 1.025 333 N CA -1.170 51.877 53.050 -0.005 0.000 0.885 333 N CB 1.222 39.703 38.487 -0.008 0.000 1.339 333 N HN 0.501 nan 8.380 nan 0.000 0.487 334 P HA 0.371 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 62.443 63.100 -0.014 0.000 0.793 334 P CB 0.410 32.102 31.700 -0.012 0.000 0.977 335 A N 1.058 123.855 122.820 -0.038 0.000 2.546 335 A HA 0.238 4.559 4.320 0.001 0.000 0.243 335 A C 0.016 177.584 177.584 -0.026 0.000 1.063 335 A CA -0.145 51.862 52.037 -0.050 0.000 0.757 335 A CB -0.358 18.579 19.000 -0.104 0.000 0.991 335 A HN 0.374 nan 8.150 nan 0.000 0.503 336 V N 6.755 126.680 119.914 0.018 0.000 2.259 336 V HA 0.228 4.348 4.120 0.001 0.000 0.267 336 V C -2.083 174.058 176.094 0.079 0.000 1.051 336 V CA -1.204 61.126 62.300 0.049 0.000 0.830 336 V CB 0.565 32.442 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 -0.491 176.865 177.300 0.094 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 3.259 124.569 121.300 0.016 0.000 2.446 338 W HA 0.286 4.946 4.660 0.001 0.000 0.316 338 W C 1.206 177.781 176.519 0.094 0.000 1.376 338 W CA -0.056 57.352 57.345 0.106 0.000 1.300 338 W CB -0.243 29.338 29.460 0.201 0.000 1.351 338 W HN 0.620 nan 8.180 nan 0.000 0.530 339 G N 3.529 112.466 108.800 0.229 0.000 2.442 339 G HA2 -0.296 3.664 3.960 0.001 0.000 0.219 339 G HA3 -0.296 3.664 3.960 0.001 0.000 0.219 339 G C 1.042 175.834 174.900 -0.179 0.000 1.141 339 G CA 0.764 45.884 45.100 0.034 0.000 0.763 339 G HN 0.649 nan 8.290 nan 0.000 0.554 340 Q N 0.217 119.658 119.800 -0.599 0.000 2.403 340 Q HA 0.165 4.505 4.340 0.001 0.000 0.203 340 Q C 2.577 178.063 176.000 -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 28.610 28.738 -0.636 0.000 1.045 340 Q HN 0.433 nan 8.270 nan 0.000 0.511 341 G N 0.614 108.939 108.800 -0.792 0.000 2.469 341 G HA2 -0.251 3.709 3.960 0.001 0.000 0.219 341 G HA3 -0.251 3.709 3.960 0.001 0.000 0.219 341 G C 1.419 176.369 174.900 0.084 0.000 1.150 341 G CA 0.812 45.748 45.100 -0.273 0.000 0.763 341 G HN 0.248 nan 8.290 nan 0.000 0.561 342 V N 0.617 120.599 119.914 0.115 0.000 2.490 342 V HA -0.154 3.966 4.120 0.001 0.000 0.250 342 V C 2.632 178.676 176.094 -0.083 0.000 1.061 342 V CA 2.102 64.435 62.300 0.055 0.000 1.064 342 V CB -0.402 31.446 31.823 0.043 0.000 0.670 342 V HN 0.490 nan 8.190 nan 0.000 0.461 343 E N -0.243 119.880 120.200 -0.130 0.000 2.106 343 E HA -0.155 4.195 4.350 0.001 0.000 0.192 343 E C 2.229 178.729 176.600 -0.167 0.000 0.984 343 E CA 1.109 57.420 56.400 -0.148 0.000 0.806 343 E CB -0.062 29.545 29.700 -0.156 0.000 0.750 343 E HN 0.422 nan 8.360 nan 0.000 0.458 344 I N 1.345 121.805 120.570 -0.182 0.000 2.286 344 I HA -0.211 3.960 4.170 0.001 0.000 0.245 344 I C 2.508 178.530 176.117 -0.157 0.000 1.104 344 I CA 1.235 62.424 61.300 -0.184 0.000 1.397 344 I CB -0.894 37.052 38.000 -0.090 0.000 1.072 344 I HN 0.217 nan 8.210 nan 0.000 0.417 345 E N 1.352 121.499 120.200 -0.089 0.000 2.058 345 E HA -0.290 4.060 4.350 0.001 0.000 0.194 345 E C 2.422 178.893 176.600 -0.214 0.000 0.997 345 E CA 1.431 57.736 56.400 -0.159 0.000 0.801 345 E CB -0.079 29.407 29.700 -0.357 0.000 0.746 345 E HN 0.324 nan 8.360 nan 0.000 0.450 346 R N 0.108 120.490 120.500 -0.196 0.000 2.073 346 R HA -0.138 4.203 4.340 0.001 0.000 0.234 346 R C 2.293 178.501 176.300 -0.153 0.000 1.134 346 R CA 1.396 57.395 56.100 -0.168 0.000 0.952 346 R CB -0.359 29.857 30.300 -0.141 0.000 0.850 346 R HN 0.206 nan 8.270 nan 0.000 0.433 347 A N 1.159 123.876 122.820 -0.172 0.000 1.902 347 A HA -0.130 4.190 4.320 0.001 0.000 0.217 347 A C 2.222 179.696 177.584 -0.182 0.000 1.181 347 A CA 1.258 53.188 52.037 -0.178 0.000 0.623 347 A CB -0.522 18.341 19.000 -0.229 0.000 0.818 347 A HN 0.357 nan 8.150 nan 0.000 0.443 348 L N -0.814 120.276 121.223 -0.222 0.000 2.017 348 L HA -0.191 4.149 4.340 0.001 0.000 0.208 348 L C 2.446 179.198 176.870 -0.197 0.000 1.073 348 L CA 1.778 56.481 54.840 -0.228 0.000 0.745 348 L CB -0.348 41.556 42.059 -0.258 0.000 0.894 348 L HN 0.309 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 -0.114 4.206 4.320 0.001 0.000 0.199 349 K C 1.840 178.477 176.600 0.062 0.000 1.045 349 K CA 0.677 56.904 56.287 -0.099 0.000 0.962 349 K CB 0.041 32.471 32.500 -0.117 0.000 0.759 349 K HN 0.403 nan 8.250 nan 0.000 0.469 350 Q N 0.409 120.210 119.800 0.001 0.000 2.392 350 Q HA 0.066 4.407 4.340 0.001 0.000 0.203 350 Q C -0.164 175.855 176.000 0.031 0.000 0.917 350 Q CA -0.106 55.703 55.803 0.011 0.000 0.939 350 Q CB 0.671 29.388 28.738 -0.035 0.000 1.063 350 Q HN 0.003 nan 8.270 nan 0.000 0.516 351 V N 2.317 122.271 119.914 0.065 0.000 2.585 351 V HA -0.061 4.059 4.120 0.001 0.000 0.296 351 V C 0.022 176.149 176.094 0.056 0.000 1.035 351 V CA 0.757 63.089 62.300 0.053 0.000 1.084 351 V CB 0.838 32.701 31.823 0.066 0.000 0.953 351 V HN 0.266 nan 8.190 nan 0.000 0.483 352 Q N 4.086 123.884 119.800 -0.004 0.000 2.337 352 Q HA 0.662 5.003 4.340 0.001 0.000 0.264 352 Q C -1.057 174.916 176.000 -0.044 0.000 1.007 352 Q CA -0.457 55.325 55.803 -0.035 0.000 0.727 352 Q CB 2.349 31.067 28.738 -0.034 0.000 1.256 352 Q HN 0.717 nan 8.270 nan 0.000 0.467 353 V N -1.471 118.407 119.914 -0.060 0.000 3.188 353 V HA 0.583 4.704 4.120 0.001 0.000 0.305 353 V C -0.928 175.132 176.094 -0.056 0.000 1.232 353 V CA -1.146 61.121 62.300 -0.056 0.000 1.043 353 V CB 2.564 34.340 31.823 -0.077 0.000 1.068 353 V HN 0.491 nan 8.190 nan 0.000 0.439 354 E N 1.040 121.221 120.200 -0.032 0.000 2.266 354 E HA 0.735 5.085 4.350 0.001 0.000 0.277 354 E C 0.077 176.674 176.600 -0.005 0.000 1.018 354 E CA 0.205 56.592 56.400 -0.021 0.000 0.840 354 E CB 1.932 31.629 29.700 -0.005 0.000 1.082 354 E HN 1.176 nan 8.360 nan 0.000 0.395 355 G N 0.692 109.487 108.800 -0.009 0.000 2.975 355 G HA2 0.335 4.295 3.960 0.001 0.000 0.291 355 G HA3 0.335 4.295 3.960 0.001 0.000 0.291 355 G C 0.614 175.512 174.900 -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 0.460 121.671 121.223 -0.020 0.000 2.191 356 L HA -0.036 4.304 4.340 0.001 0.000 0.212 356 L C 2.513 179.314 176.870 -0.116 0.000 1.103 356 L CA 1.776 56.532 54.840 -0.140 0.000 0.769 356 L CB -0.217 41.653 42.059 -0.315 0.000 0.908 356 L HN 0.529 nan 8.230 nan 0.000 0.438 357 S N -0.878 114.785 115.700 -0.063 0.000 2.622 357 S HA 0.439 4.909 4.470 0.001 0.000 0.236 357 S C 0.910 175.491 174.600 -0.031 0.000 0.956 357 S CA -0.030 58.145 58.200 -0.042 0.000 0.971 357 S CB 0.014 63.205 63.200 -0.016 0.000 0.782 357 S HN 0.578 nan 8.310 nan 0.000 0.468 358 G N 2.173 110.950 108.800 -0.038 0.000 2.499 358 G HA2 -0.275 3.685 3.960 0.001 0.000 0.232 358 G HA3 -0.275 3.685 3.960 0.001 0.000 0.232 358 G C -0.449 174.432 174.900 -0.032 0.000 1.251 358 G CA -0.283 44.800 45.100 -0.028 0.000 0.917 358 G HN 0.713 nan 8.290 nan 0.000 0.580 359 N N 0.513 119.196 118.700 -0.028 0.000 2.475 359 N HA 0.456 5.196 4.740 0.001 0.000 0.267 359 N C 0.008 175.474 175.510 -0.074 0.000 1.169 359 N CA 0.075 53.096 53.050 -0.047 0.000 0.947 359 N CB 0.073 38.533 38.487 -0.045 0.000 1.061 359 N HN 0.561 nan 8.380 nan 0.000 0.466 360 I N 2.950 123.444 120.570 -0.126 0.000 2.362 360 I HA 0.340 4.511 4.170 0.001 0.000 0.289 360 I C 0.068 175.987 176.117 -0.331 0.000 0.994 360 I CA -0.582 60.566 61.300 -0.253 0.000 1.158 360 I CB 1.190 39.063 38.000 -0.212 0.000 1.315 360 I HN 0.454 nan 8.210 nan 0.000 0.451 361 K N 6.024 126.119 120.400 -0.508 0.000 2.546 361 K HA 0.605 4.925 4.320 0.001 0.000 0.264 361 K C -1.971 174.297 176.600 -0.554 0.000 0.937 361 K CA -0.550 55.506 56.287 -0.385 0.000 0.833 361 K CB 1.950 34.353 32.500 -0.162 0.000 1.378 361 K HN 0.280 nan 8.250 nan 0.000 0.432 362 F N 1.704 121.659 119.950 0.007 0.000 2.546 362 F HA 0.273 4.800 4.527 0.001 0.000 0.320 362 F C 0.400 176.200 175.800 -0.000 0.000 1.076 362 F CA -0.598 57.409 58.000 0.012 0.000 0.928 362 F CB 1.438 40.434 39.000 -0.006 0.000 1.189 362 F HN 0.623 nan 8.300 nan 0.000 0.465 363 D N 0.132 120.651 120.400 0.198 0.000 2.478 363 D HA 0.065 4.706 4.640 0.001 0.000 0.269 363 D C 0.680 177.015 176.300 0.058 0.000 1.232 363 D CA -0.397 53.660 54.000 0.095 0.000 1.059 363 D CB 0.416 41.255 40.800 0.066 0.000 1.104 363 D HN 0.579 nan 8.370 nan 0.000 0.566 364 Q N -1.018 118.780 119.800 -0.003 0.000 2.436 364 Q HA -0.123 4.218 4.340 0.001 0.000 0.209 364 Q C 0.449 176.392 176.000 -0.094 0.000 0.965 364 Q CA 0.634 56.404 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 -0.733 117.917 118.700 -0.083 0.000 2.268 365 N HA 0.067 4.808 4.740 0.001 0.000 0.204 365 N C 0.252 175.700 175.510 -0.103 0.000 1.124 365 N CA 0.779 53.726 53.050 -0.172 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 0.456 109.257 108.800 0.001 0.000 2.143 366 G HA2 -0.253 3.708 3.960 0.001 0.000 0.248 366 G HA3 -0.253 3.708 3.960 0.001 0.000 0.248 366 G C -0.349 174.708 174.900 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 0.435 121.003 120.400 0.280 0.000 2.130 367 K HA 0.444 4.764 4.320 0.001 0.000 0.268 367 K C 0.824 177.616 176.600 0.320 0.000 0.983 367 K CA -0.888 55.577 56.287 0.297 0.000 0.893 367 K CB 0.850 33.471 32.500 0.202 0.000 1.066 367 K HN 0.177 nan 8.250 nan 0.000 0.450 368 R N 2.535 123.170 120.500 0.224 0.000 2.522 368 R HA 0.182 4.522 4.340 0.001 0.000 0.284 368 R C 0.652 177.103 176.300 0.251 0.000 1.032 368 R CA 0.091 56.220 56.100 0.048 0.000 1.049 368 R CB -0.398 29.831 30.300 -0.119 0.000 0.956 368 R HN 0.694 nan 8.270 nan 0.000 0.422 369 I N -1.516 119.160 120.570 0.176 0.000 3.042 369 I HA 0.349 4.519 4.170 0.001 0.000 0.310 369 I C -0.239 175.915 176.117 0.061 0.000 1.117 369 I CA -1.186 60.212 61.300 0.164 0.000 1.003 369 I CB 1.969 40.003 38.000 0.058 0.000 1.228 369 I HN 0.567 nan 8.210 nan 0.000 0.443 370 N N 0.793 119.435 118.700 -0.097 0.000 2.735 370 N HA -0.265 4.475 4.740 0.001 0.000 0.248 370 N C -1.171 174.287 175.510 -0.086 0.000 1.083 370 N CA 1.147 54.115 53.050 -0.137 0.000 0.703 370 N CB -1.473 36.961 38.487 -0.089 0.000 1.005 370 N HN 0.724 nan 8.380 nan 0.000 0.550 371 Y N -2.509 117.778 120.300 -0.023 0.000 2.419 371 Y HA 0.749 5.299 4.550 0.001 0.000 0.328 371 Y C 0.342 176.268 175.900 0.044 0.000 1.162 371 Y CA -1.008 57.087 58.100 -0.009 0.000 1.174 371 Y CB 1.112 39.573 38.460 0.002 0.000 1.228 371 Y HN -0.156 nan 8.280 nan 0.000 0.473 372 T N 4.386 119.045 114.554 0.175 0.000 2.824 372 T HA 0.560 4.911 4.350 0.001 0.000 0.280 372 T C -0.501 174.373 174.700 0.291 0.000 0.995 372 T CA -0.520 61.680 62.100 0.167 0.000 1.009 372 T CB 0.632 69.500 68.868 -0.001 0.000 0.955 372 T HN 0.578 nan 8.240 nan 0.000 0.452 373 I N 3.590 124.389 120.570 0.381 0.000 2.378 373 I HA 0.317 4.488 4.170 0.001 0.000 0.291 373 I C -0.091 176.197 176.117 0.286 0.000 0.992 373 I CA -1.016 60.474 61.300 0.316 0.000 1.154 373 I CB 1.396 39.590 38.000 0.324 0.000 1.315 373 I HN 0.445 nan 8.210 nan 0.000 0.448 374 N N 6.567 125.381 118.700 0.189 0.000 2.520 374 N HA 0.314 5.054 4.740 0.001 0.000 0.273 374 N C -0.550 175.005 175.510 0.076 0.000 1.155 374 N CA -0.219 52.917 53.050 0.143 0.000 0.967 374 N CB 1.264 39.802 38.487 0.085 0.000 1.092 374 N HN 0.337 nan 8.380 nan 0.000 0.457 375 I N 3.449 124.015 120.570 -0.006 0.000 2.312 375 I HA 0.245 4.415 4.170 0.001 0.000 0.290 375 I C 0.450 176.415 176.117 -0.253 0.000 1.008 375 I CA -0.384 60.796 61.300 -0.199 0.000 1.226 375 I CB 0.500 38.355 38.000 -0.243 0.000 1.371 375 I HN 0.247 nan 8.210 nan 0.000 0.468 376 M N 5.272 124.607 119.600 -0.441 0.000 2.369 376 M HA 0.516 4.997 4.480 0.001 0.000 0.291 376 M C 0.071 176.122 176.300 -0.415 0.000 1.178 376 M CA -0.420 54.611 55.300 -0.448 0.000 0.996 376 M CB 1.040 33.193 32.600 -0.746 0.000 1.472 376 M HN 0.420 nan 8.290 nan 0.000 0.496 377 E N 0.454 120.524 120.200 -0.217 0.000 2.372 377 E HA 0.414 4.765 4.350 0.001 0.000 0.279 377 E C -1.809 174.837 176.600 0.077 0.000 0.946 377 E CA -0.902 55.465 56.400 -0.055 0.000 0.769 377 E CB 3.307 33.017 29.700 0.018 0.000 1.230 377 E HN 0.419 nan 8.360 nan 0.000 0.442 378 L N 2.350 123.642 121.223 0.116 0.000 2.326 378 L HA 0.436 4.776 4.340 0.001 0.000 0.278 378 L C -0.567 176.333 176.870 0.051 0.000 1.092 378 L CA 0.489 55.413 54.840 0.141 0.000 0.810 378 L CB 0.586 42.732 42.059 0.145 0.000 1.153 378 L HN 0.469 nan 8.230 nan 0.000 0.439 379 K N 1.312 121.728 120.400 0.027 0.000 2.482 379 K HA 0.327 4.647 4.320 0.001 0.000 0.257 379 K C 0.905 177.448 176.600 -0.094 0.000 0.969 379 K CA 0.111 56.384 56.287 -0.024 0.000 0.842 379 K CB 1.862 34.357 32.500 -0.008 0.000 1.359 379 K HN 0.752 nan 8.250 nan 0.000 0.441 380 T N -0.243 114.227 114.554 -0.140 0.000 2.685 380 T HA -0.160 4.190 4.350 0.001 0.000 0.268 380 T C 1.112 175.589 174.700 -0.373 0.000 1.034 380 T CA 1.581 63.495 62.100 -0.311 0.000 1.149 380 T CB -0.294 68.418 68.868 -0.260 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 -0.195 0.000 2.412 381 N HA 0.377 5.117 4.740 0.001 0.000 0.184 381 N C 0.994 176.456 175.510 -0.081 0.000 1.101 381 N CA 0.820 53.789 53.050 -0.135 0.000 0.881 381 N CB 0.800 39.247 38.487 -0.066 0.000 0.969 381 N HN 0.824 nan 8.380 nan 0.000 0.459 382 G N 0.115 108.878 108.800 -0.061 0.000 2.340 382 G HA2 0.024 3.985 3.960 0.001 0.000 0.282 382 G HA3 0.024 3.985 3.960 0.001 0.000 0.282 382 G C -3.255 171.674 174.900 0.049 0.000 1.312 382 G CA -0.893 44.200 45.100 -0.011 0.000 0.942 382 G HN -0.114 nan 8.290 nan 0.000 0.495 383 P HA 0.653 nan 4.420 nan 0.000 0.284 383 P C -0.923 176.463 177.300 0.143 0.000 1.258 383 P CA -0.307 62.920 63.100 0.211 0.000 0.824 383 P CB 1.484 33.391 31.700 0.346 0.000 1.038 384 R N 0.354 120.924 120.500 0.117 0.000 2.604 384 R HA 0.326 4.667 4.340 0.001 0.000 0.270 384 R C -0.406 175.916 176.300 0.037 0.000 1.052 384 R CA -0.985 55.159 56.100 0.073 0.000 0.902 384 R CB 2.375 32.706 30.300 0.052 0.000 1.233 384 R HN 0.396 nan 8.270 nan 0.000 0.455 385 K N 3.906 124.330 120.400 0.040 0.000 2.315 385 K HA 0.113 4.434 4.320 0.001 0.000 0.291 385 K C 0.944 177.548 176.600 0.006 0.000 1.074 385 K CA -0.044 56.254 56.287 0.017 0.000 0.936 385 K CB 0.329 32.858 32.500 0.047 0.000 1.049 385 K HN 0.696 nan 8.250 nan 0.000 0.471 386 I N 0.706 121.252 120.570 -0.040 0.000 3.578 386 I HA 0.322 4.492 4.170 0.001 0.000 0.295 386 I C 0.645 176.710 176.117 -0.087 0.000 1.280 386 I CA -0.095 61.177 61.300 -0.048 0.000 1.347 386 I CB 0.335 38.303 38.000 -0.053 0.000 1.051 386 I HN 0.674 nan 8.210 nan 0.000 0.460 387 G N 0.584 109.338 108.800 -0.077 0.000 2.325 387 G HA2 0.393 4.354 3.960 0.001 0.000 0.295 387 G HA3 0.393 4.354 3.960 0.001 0.000 0.295 387 G C -1.877 173.040 174.900 0.027 0.000 1.274 387 G CA -0.243 44.796 45.100 -0.101 0.000 0.857 387 G HN 0.386 nan 8.290 nan 0.000 0.499 388 Y N -3.082 117.185 120.300 -0.055 0.000 2.655 388 Y HA 0.821 5.372 4.550 0.001 0.000 0.336 388 Y C -1.524 174.426 175.900 0.084 0.000 1.154 388 Y CA -2.201 55.912 58.100 0.022 0.000 1.055 388 Y CB 1.583 40.052 38.460 0.015 0.000 1.295 388 Y HN 0.865 nan 8.280 nan 0.000 0.465 389 W N 2.388 123.773 121.300 0.142 0.000 2.785 389 W HA 0.743 5.403 4.660 0.001 0.000 0.333 389 W C -1.342 175.224 176.519 0.079 0.000 1.062 389 W CA -0.563 56.809 57.345 0.043 0.000 1.233 389 W CB 2.257 31.736 29.460 0.032 0.000 1.413 389 W HN 0.882 nan 8.180 nan 0.000 0.489 390 S N 2.156 117.500 115.700 -0.594 0.000 2.632 390 S HA 0.390 4.860 4.470 0.001 0.000 0.289 390 S C 0.314 173.992 174.600 -1.536 0.000 1.115 390 S CA -0.741 57.014 58.200 -0.742 0.000 0.889 390 S CB 2.092 65.073 63.200 -0.364 0.000 1.116 390 S HN 0.677 nan 8.310 nan 0.000 0.486 391 E N 0.559 120.134 120.200 -1.043 0.000 2.077 391 E HA -0.149 4.202 4.350 0.001 0.000 0.193 391 E C 2.048 178.320 176.600 -0.545 0.000 0.989 391 E CA 1.541 57.491 56.400 -0.749 0.000 0.800 391 E CB -0.718 28.804 29.700 -0.297 0.000 0.746 391 E HN 0.610 nan 8.360 nan 0.000 0.452 392 V N 0.080 119.736 119.914 -0.431 0.000 2.358 392 V HA -0.163 3.958 4.120 0.001 0.000 0.246 392 V C 1.268 177.185 176.094 -0.295 0.000 1.047 392 V CA 1.970 64.100 62.300 -0.285 0.000 1.035 392 V CB -0.265 31.433 31.823 -0.208 0.000 0.658 392 V HN 0.002 nan 8.190 nan 0.000 0.452 393 D N -1.455 118.719 120.400 -0.377 0.000 2.379 393 D HA 0.181 4.822 4.640 0.001 0.000 0.208 393 D C 0.957 177.021 176.300 -0.394 0.000 1.065 393 D CA 0.050 53.865 54.000 -0.307 0.000 0.848 393 D CB 0.333 41.002 40.800 -0.219 0.000 0.949 393 D HN 0.358 nan 8.370 nan 0.000 0.509 394 K N -0.063 119.928 120.400 -0.681 0.000 1.939 394 K HA -0.280 4.041 4.320 0.001 0.000 0.165 394 K C 0.471 176.746 176.600 -0.541 0.000 1.508 394 K CA 0.741 56.566 56.287 -0.771 0.000 0.525 394 K CB -1.563 30.819 32.500 -0.198 0.000 0.615 394 K HN 0.271 nan 8.250 nan 0.000 0.888 395 M N 1.775 121.285 119.600 -0.150 0.000 2.146 395 M HA 0.312 4.793 4.480 0.001 0.000 0.357 395 M C -0.910 175.210 176.300 -0.299 0.000 1.261 395 M CA -0.399 54.819 55.300 -0.137 0.000 1.106 395 M CB 0.920 33.480 32.600 -0.067 0.000 1.612 395 M HN 0.232 nan 8.290 nan 0.000 0.470 396 V N 6.077 125.683 119.914 -0.514 0.000 2.444 396 V HA 0.392 4.513 4.120 0.001 0.000 0.294 396 V C -0.470 175.311 176.094 -0.523 0.000 1.022 396 V CA -0.898 61.054 62.300 -0.580 0.000 0.850 396 V CB 1.660 32.927 31.823 -0.926 0.000 0.992 396 V HN 0.666 nan 8.190 nan 0.000 0.426 397 V N 4.251 123.986 119.914 -0.298 0.000 2.498 397 V HA 0.275 4.395 4.120 0.001 0.000 0.279 397 V C 0.887 176.912 176.094 -0.114 0.000 1.048 397 V CA 0.019 62.198 62.300 -0.201 0.000 0.967 397 V CB 1.381 33.157 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 -0.064 0.000 3.816 398 T HA 0.000 4.350 4.350 0.001 0.000 0.228 398 T CA 0.000 62.105 62.100 0.009 0.000 1.349 398 T CB 0.000 68.893 68.868 0.042 0.000 0.612 398 T HN 0.000 nan 8.240 nan 0.000 0.658