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 2wjw_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 TIGKHVKGYH 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 0.000 175.600 175.510 0.150 0.000 1.280 25 N CA 0.000 53.107 53.050 0.095 0.000 0.885 25 N CB 0.000 38.616 38.487 0.214 0.000 1.341 26 S N -0.139 115.614 115.700 0.089 0.000 2.562 26 S HA 0.496 4.966 4.470 -0.000 0.000 0.281 26 S C 0.236 174.893 174.600 0.095 0.000 1.333 26 S CA -0.377 57.870 58.200 0.078 0.000 1.052 26 S CB 0.675 63.897 63.200 0.038 0.000 0.884 26 S HN 0.282 nan 8.310 nan 0.000 0.506 27 I N 3.019 123.618 120.570 0.050 0.000 2.312 27 I HA 0.220 4.390 4.170 -0.000 0.000 0.290 27 I C 0.112 176.213 176.117 -0.025 0.000 1.008 27 I CA -0.307 61.005 61.300 0.020 0.000 1.226 27 I CB 1.308 39.137 38.000 -0.285 0.000 1.371 27 I HN 0.549 nan 8.210 nan 0.000 0.468 28 Q N 7.421 127.166 119.800 -0.091 0.000 2.293 28 Q HA 0.484 4.824 4.340 -0.000 0.000 0.263 28 Q C -0.256 175.736 176.000 -0.013 0.000 1.002 28 Q CA 0.016 55.784 55.803 -0.059 0.000 0.910 28 Q CB 1.376 30.006 28.738 -0.181 0.000 1.185 28 Q HN 0.728 nan 8.270 nan 0.000 0.401 29 I N -2.135 118.515 120.570 0.133 0.000 2.934 29 I HA 0.847 5.017 4.170 -0.000 0.000 0.306 29 I C -0.069 176.208 176.117 0.267 0.000 1.110 29 I CA -1.369 60.053 61.300 0.202 0.000 1.019 29 I CB 2.344 40.498 38.000 0.258 0.000 1.227 29 I HN 0.417 nan 8.210 nan 0.000 0.434 30 G N 1.203 110.134 108.800 0.218 0.000 2.412 30 G HA2 0.652 4.612 3.960 -0.000 0.000 0.318 30 G HA3 0.652 4.612 3.960 -0.000 0.000 0.318 30 G C -0.635 174.402 174.900 0.228 0.000 1.146 30 G CA -0.834 44.386 45.100 0.200 0.000 0.882 30 G HN 1.070 nan 8.290 nan 0.000 0.501 31 G N -0.193 108.739 108.800 0.221 0.000 2.702 31 G HA2 0.495 4.455 3.960 -0.000 0.000 0.295 31 G HA3 0.495 4.455 3.960 -0.000 0.000 0.295 31 G C -1.338 173.685 174.900 0.205 0.000 1.446 31 G CA -0.417 44.823 45.100 0.234 0.000 0.983 31 G HN 0.450 nan 8.290 nan 0.000 0.520 32 L N 2.759 124.000 121.223 0.030 0.000 2.301 32 L HA 0.537 4.877 4.340 -0.000 0.000 0.278 32 L C -0.843 176.028 176.870 0.001 0.000 1.022 32 L CA -0.620 54.268 54.840 0.080 0.000 0.854 32 L CB 0.440 42.581 42.059 0.136 0.000 1.226 32 L HN 0.407 nan 8.230 nan 0.000 0.429 33 F N 4.484 124.462 119.950 0.046 0.000 2.443 33 F HA 0.543 5.069 4.527 -0.001 0.000 0.335 33 F C -1.793 173.941 175.800 -0.111 0.000 1.104 33 F CA -2.208 55.772 58.000 -0.033 0.000 1.013 33 F CB 1.366 40.295 39.000 -0.119 0.000 1.136 33 F HN 0.335 nan 8.300 nan 0.000 0.470 34 P HA 0.074 nan 4.420 nan 0.000 0.268 34 P C -0.637 176.646 177.300 -0.029 0.000 1.205 34 P CA -0.248 62.806 63.100 -0.076 0.000 0.771 34 P CB 0.466 32.049 31.700 -0.195 0.000 0.858 35 R N 2.094 122.589 120.500 -0.008 0.000 2.585 35 R HA 0.250 4.590 4.340 -0.000 0.000 0.275 35 R C 1.363 177.655 176.300 -0.013 0.000 1.018 35 R CA 1.008 57.103 56.100 -0.009 0.000 1.072 35 R CB -0.667 29.633 30.300 0.000 0.000 0.953 35 R HN 0.909 nan 8.270 nan 0.000 0.419 36 G N 1.218 110.013 108.800 -0.008 0.000 2.176 36 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.253 36 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.253 36 G C 0.397 175.307 174.900 0.016 0.000 0.979 36 G CA 0.101 45.205 45.100 0.006 0.000 0.641 36 G HN 0.779 nan 8.290 nan 0.000 0.530 37 A N 0.519 123.342 122.820 0.005 0.000 3.074 37 A HA 0.504 4.824 4.320 -0.000 0.000 0.251 37 A C 1.489 179.152 177.584 0.132 0.000 1.695 37 A CA 0.966 53.020 52.037 0.029 0.000 1.343 37 A CB -0.208 18.752 19.000 -0.066 0.000 1.078 37 A HN 0.292 nan 8.150 nan 0.000 0.644 38 D N -0.018 120.456 120.400 0.123 0.000 2.097 38 D HA -0.199 4.441 4.640 -0.000 0.000 0.195 38 D C 1.849 178.298 176.300 0.248 0.000 0.989 38 D CA 1.540 55.640 54.000 0.165 0.000 0.827 38 D CB -0.089 40.782 40.800 0.119 0.000 0.966 38 D HN 0.746 nan 8.370 nan 0.000 0.456 39 Q N 0.323 120.278 119.800 0.257 0.000 2.119 39 Q HA -0.175 4.165 4.340 -0.000 0.000 0.201 39 Q C 1.685 177.944 176.000 0.432 0.000 0.972 39 Q CA 1.188 57.210 55.803 0.365 0.000 0.847 39 Q CB 0.171 29.124 28.738 0.358 0.000 0.903 39 Q HN 0.143 nan 8.270 nan 0.000 0.433 40 E N -0.382 120.053 120.200 0.391 0.000 2.077 40 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 40 E C 1.528 178.517 176.600 0.648 0.000 0.989 40 E CA 1.275 57.987 56.400 0.520 0.000 0.800 40 E CB -0.351 29.684 29.700 0.559 0.000 0.746 40 E HN 0.400 nan 8.360 nan 0.000 0.452 41 Y N 1.073 121.563 120.300 0.317 0.000 2.242 41 Y HA -0.165 4.386 4.550 0.001 0.000 0.291 41 Y C 2.218 178.278 175.900 0.267 0.000 1.137 41 Y CA 1.278 59.394 58.100 0.027 0.000 1.181 41 Y CB -0.365 37.869 38.460 -0.377 0.000 0.989 41 Y HN -0.063 nan 8.280 nan 0.000 0.527 42 S N 0.207 116.065 115.700 0.263 0.000 2.370 42 S HA -0.220 4.250 4.470 -0.000 0.000 0.226 42 S C 2.300 177.194 174.600 0.489 0.000 1.033 42 S CA 1.203 59.609 58.200 0.342 0.000 1.011 42 S CB -0.806 62.637 63.200 0.406 0.000 0.852 42 S HN 0.611 nan 8.310 nan 0.000 0.457 43 A N 0.713 123.883 122.820 0.583 0.000 1.930 43 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 43 A C 1.870 179.735 177.584 0.469 0.000 1.175 43 A CA 1.219 53.571 52.037 0.526 0.000 0.627 43 A CB -0.812 18.379 19.000 0.319 0.000 0.815 43 A HN 0.489 nan 8.150 nan 0.000 0.443 44 F N 0.749 120.859 119.950 0.266 0.000 2.095 44 F HA -0.209 4.318 4.527 0.001 0.000 0.298 44 F C 2.390 178.250 175.800 0.100 0.000 1.104 44 F CA 2.128 60.223 58.000 0.159 0.000 1.232 44 F CB -0.202 38.960 39.000 0.269 0.000 0.987 44 F HN 0.125 nan 8.300 nan 0.000 0.475 45 R N -0.399 120.181 120.500 0.134 0.000 2.075 45 R HA -0.113 4.227 4.340 -0.000 0.000 0.232 45 R C 2.119 178.495 176.300 0.126 0.000 1.126 45 R CA 1.520 57.649 56.100 0.049 0.000 0.963 45 R CB -0.769 29.537 30.300 0.009 0.000 0.858 45 R HN 0.238 nan 8.270 nan 0.000 0.435 46 V N 0.247 120.289 119.914 0.213 0.000 2.407 46 V HA -0.161 3.959 4.120 -0.000 0.000 0.248 46 V C 2.330 178.564 176.094 0.232 0.000 1.055 46 V CA 2.082 64.486 62.300 0.172 0.000 1.049 46 V CB -0.892 31.065 31.823 0.222 0.000 0.662 46 V HN 0.561 nan 8.190 nan 0.000 0.455 47 G N -0.708 108.266 108.800 0.290 0.000 2.418 47 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 47 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 47 G C 1.620 176.512 174.900 -0.012 0.000 1.158 47 G CA 1.013 46.162 45.100 0.081 0.000 0.771 47 G HN 0.409 nan 8.290 nan 0.000 0.545 48 M N 0.011 119.542 119.600 -0.114 0.000 2.159 48 M HA -0.059 4.421 4.480 -0.000 0.000 0.263 48 M C 2.667 178.944 176.300 -0.037 0.000 1.063 48 M CA 0.861 56.094 55.300 -0.111 0.000 1.110 48 M CB -0.234 32.256 32.600 -0.184 0.000 1.374 48 M HN 0.136 nan 8.290 nan 0.000 0.411 49 V N 0.023 119.923 119.914 -0.024 0.000 2.307 49 V HA -0.263 3.857 4.120 -0.000 0.000 0.245 49 V C 2.280 178.328 176.094 -0.076 0.000 1.045 49 V CA 2.027 64.314 62.300 -0.021 0.000 1.024 49 V CB -0.711 31.116 31.823 0.007 0.000 0.651 49 V HN 0.452 nan 8.190 nan 0.000 0.449 50 Q N -0.021 119.676 119.800 -0.172 0.000 2.119 50 Q HA -0.128 4.212 4.340 -0.000 0.000 0.201 50 Q C 1.564 177.295 176.000 -0.449 0.000 0.972 50 Q CA 2.121 57.695 55.803 -0.381 0.000 0.847 50 Q CB -0.202 28.167 28.738 -0.615 0.000 0.903 50 Q HN 0.612 nan 8.270 nan 0.000 0.433 51 F N -0.076 119.849 119.950 -0.042 0.000 2.695 51 F HA 0.320 4.847 4.527 -0.000 0.000 0.303 51 F C 0.788 176.579 175.800 -0.015 0.000 1.091 51 F CA -0.034 57.936 58.000 -0.050 0.000 1.300 51 F CB -0.019 38.910 39.000 -0.119 0.000 1.071 51 F HN -0.037 nan 8.300 nan 0.000 0.578 52 S N -0.124 115.641 115.700 0.109 0.000 2.617 52 S HA 0.537 5.007 4.470 -0.000 0.000 0.269 52 S C 0.294 174.948 174.600 0.089 0.000 1.292 52 S CA -0.115 58.141 58.200 0.094 0.000 1.010 52 S CB 1.494 64.724 63.200 0.050 0.000 0.944 52 S HN 0.236 nan 8.310 nan 0.000 0.536 53 T N -1.610 113.010 114.554 0.109 0.000 2.841 53 T HA 0.508 4.858 4.350 -0.000 0.000 0.276 53 T C 1.386 176.111 174.700 0.042 0.000 1.003 53 T CA -0.101 62.055 62.100 0.094 0.000 0.995 53 T CB 0.769 69.735 68.868 0.163 0.000 1.260 53 T HN 0.909 nan 8.240 nan 0.000 0.581 54 S N -0.605 115.103 115.700 0.013 0.000 2.371 54 S HA -0.089 4.381 4.470 -0.000 0.000 0.224 54 S C 1.800 176.341 174.600 -0.098 0.000 1.029 54 S CA 1.198 59.380 58.200 -0.031 0.000 0.978 54 S CB -0.696 62.486 63.200 -0.030 0.000 0.833 54 S HN 0.843 nan 8.310 nan 0.000 0.466 55 E N -0.333 119.758 120.200 -0.182 0.000 2.216 55 E HA 0.198 4.548 4.350 -0.000 0.000 0.192 55 E C -0.749 175.465 176.600 -0.643 0.000 0.973 55 E CA 0.133 56.244 56.400 -0.482 0.000 0.851 55 E CB 0.252 29.511 29.700 -0.735 0.000 0.804 55 E HN 0.541 nan 8.360 nan 0.000 0.477 56 F N 0.600 120.564 119.950 0.024 0.000 2.482 56 F HA 0.495 5.022 4.527 -0.000 0.000 0.331 56 F C 0.059 175.871 175.800 0.020 0.000 1.115 56 F CA -0.846 57.169 58.000 0.024 0.000 0.955 56 F CB 1.776 40.798 39.000 0.036 0.000 1.136 56 F HN -0.190 nan 8.300 nan 0.000 0.452 57 R N 3.747 124.352 120.500 0.174 0.000 2.626 57 R HA 0.600 4.940 4.340 -0.000 0.000 0.274 57 R C -2.133 174.202 176.300 0.058 0.000 1.031 57 R CA -0.712 55.441 56.100 0.090 0.000 0.898 57 R CB 1.596 31.922 30.300 0.043 0.000 1.222 57 R HN 0.783 nan 8.270 nan 0.000 0.455 58 L N 2.948 124.191 121.223 0.033 0.000 2.331 58 L HA 0.331 4.671 4.340 -0.000 0.000 0.278 58 L C -0.144 176.728 176.870 0.005 0.000 1.106 58 L CA -0.262 54.583 54.840 0.010 0.000 0.824 58 L CB 1.708 43.778 42.059 0.017 0.000 1.142 58 L HN 0.689 nan 8.230 nan 0.000 0.443 59 T N 4.082 118.629 114.554 -0.012 0.000 2.947 59 T HA 0.348 4.698 4.350 -0.000 0.000 0.337 59 T C -2.465 172.144 174.700 -0.152 0.000 1.139 59 T CA -1.286 60.769 62.100 -0.074 0.000 0.992 59 T CB 1.123 69.940 68.868 -0.084 0.000 1.043 59 T HN 0.290 nan 8.240 nan 0.000 0.498 60 P HA 0.430 nan 4.420 nan 0.000 0.282 60 P C -0.953 176.207 177.300 -0.233 0.000 1.249 60 P CA -0.720 62.404 63.100 0.039 0.000 0.806 60 P CB 0.539 32.464 31.700 0.375 0.000 0.984 61 H N 1.843 120.990 119.070 0.129 0.000 2.638 61 H HA 0.379 4.935 4.556 -0.000 0.000 0.317 61 H C -0.092 175.292 175.328 0.092 0.000 1.006 61 H CA -0.560 55.536 56.048 0.080 0.000 1.222 61 H CB 0.438 30.216 29.762 0.027 0.000 1.419 61 H HN 0.200 nan 8.280 nan 0.000 0.489 62 I N 3.130 123.788 120.570 0.147 0.000 2.353 62 I HA 0.185 4.355 4.170 -0.000 0.000 0.293 62 I C -0.105 176.052 176.117 0.066 0.000 0.992 62 I CA -0.513 60.842 61.300 0.093 0.000 1.268 62 I CB 1.190 39.156 38.000 -0.055 0.000 1.387 62 I HN 0.584 nan 8.210 nan 0.000 0.478 63 D N 5.679 126.136 120.400 0.095 0.000 2.408 63 D HA 0.307 4.947 4.640 -0.000 0.000 0.243 63 D C -0.389 175.956 176.300 0.074 0.000 1.075 63 D CA -0.404 53.637 54.000 0.068 0.000 0.832 63 D CB 1.533 42.379 40.800 0.077 0.000 1.162 63 D HN 0.328 nan 8.370 nan 0.000 0.515 64 N N 2.588 121.302 118.700 0.023 0.000 2.419 64 N HA 0.505 5.245 4.740 -0.000 0.000 0.277 64 N C -0.190 175.340 175.510 0.033 0.000 1.006 64 N CA -0.336 52.726 53.050 0.021 0.000 0.923 64 N CB 2.064 40.524 38.487 -0.045 0.000 1.140 64 N HN 0.450 nan 8.380 nan 0.000 0.488 65 L N -1.460 119.792 121.223 0.047 0.000 2.600 65 L HA 0.647 4.987 4.340 -0.000 0.000 0.257 65 L C -0.525 176.374 176.870 0.048 0.000 1.048 65 L CA -1.136 53.734 54.840 0.050 0.000 0.869 65 L CB 1.886 43.983 42.059 0.063 0.000 1.482 65 L HN 0.120 nan 8.230 nan 0.000 0.408 66 E N 0.947 121.178 120.200 0.052 0.000 2.070 66 E HA 0.264 4.614 4.350 -0.000 0.000 0.282 66 E C 0.591 177.231 176.600 0.067 0.000 1.104 66 E CA -0.160 56.271 56.400 0.052 0.000 0.876 66 E CB 1.179 30.909 29.700 0.050 0.000 1.055 66 E HN 0.593 nan 8.360 nan 0.000 0.401 67 V N 2.469 122.427 119.914 0.072 0.000 3.141 67 V HA -0.010 4.110 4.120 -0.000 0.000 0.265 67 V C 1.670 177.828 176.094 0.105 0.000 1.126 67 V CA 1.485 63.845 62.300 0.099 0.000 1.141 67 V CB -0.596 31.303 31.823 0.127 0.000 0.743 67 V HN 0.582 nan 8.190 nan 0.000 0.492 68 A N 0.843 123.718 122.820 0.092 0.000 2.206 68 A HA 0.061 4.381 4.320 -0.000 0.000 0.211 68 A C 1.348 178.977 177.584 0.075 0.000 1.158 68 A CA 0.782 52.872 52.037 0.089 0.000 0.761 68 A CB -0.627 18.419 19.000 0.077 0.000 0.801 68 A HN 0.585 nan 8.150 nan 0.000 0.473 69 N N 0.182 118.927 118.700 0.076 0.000 2.527 69 N HA 0.215 4.955 4.740 -0.000 0.000 0.236 69 N C 0.389 175.951 175.510 0.087 0.000 0.999 69 N CA 0.110 53.211 53.050 0.085 0.000 0.935 69 N CB 0.975 39.518 38.487 0.094 0.000 1.132 69 N HN 0.051 nan 8.380 nan 0.000 0.511 70 S N 2.751 118.497 115.700 0.076 0.000 2.399 70 S HA -0.112 4.358 4.470 -0.000 0.000 0.231 70 S C 1.414 176.036 174.600 0.037 0.000 1.022 70 S CA 0.580 58.802 58.200 0.036 0.000 0.983 70 S CB -0.320 62.898 63.200 0.029 0.000 0.803 70 S HN 0.697 nan 8.310 nan 0.000 0.480 71 F N 2.539 122.471 119.950 -0.030 0.000 2.095 71 F HA -0.174 4.352 4.527 -0.000 0.000 0.298 71 F C 2.332 178.110 175.800 -0.036 0.000 1.104 71 F CA 1.282 59.263 58.000 -0.032 0.000 1.232 71 F CB -0.637 38.355 39.000 -0.013 0.000 0.987 71 F HN 0.187 nan 8.300 nan 0.000 0.475 72 A N -0.196 122.745 122.820 0.203 0.000 1.902 72 A HA -0.137 4.184 4.320 -0.000 0.000 0.217 72 A C 2.267 179.836 177.584 -0.024 0.000 1.181 72 A CA 1.983 54.082 52.037 0.103 0.000 0.623 72 A CB -1.385 17.699 19.000 0.141 0.000 0.818 72 A HN 0.295 nan 8.150 nan 0.000 0.443 73 V N -0.289 119.608 119.914 -0.028 0.000 2.343 73 V HA -0.215 3.905 4.120 -0.000 0.000 0.247 73 V C 2.732 178.732 176.094 -0.157 0.000 1.051 73 V CA 2.425 64.695 62.300 -0.050 0.000 1.036 73 V CB -1.239 30.559 31.823 -0.041 0.000 0.654 73 V HN 0.610 nan 8.190 nan 0.000 0.451 74 T N -0.011 114.365 114.554 -0.298 0.000 2.708 74 T HA -0.182 4.168 4.350 -0.000 0.000 0.266 74 T C 1.839 176.319 174.700 -0.368 0.000 1.037 74 T CA 1.645 63.439 62.100 -0.509 0.000 1.146 74 T CB -0.394 68.150 68.868 -0.540 0.000 0.865 74 T HN 0.490 nan 8.240 nan 0.000 0.435 75 N N 0.963 119.445 118.700 -0.364 0.000 2.120 75 N HA -0.069 4.671 4.740 -0.000 0.000 0.188 75 N C 2.220 177.666 175.510 -0.106 0.000 1.024 75 N CA 1.266 54.151 53.050 -0.274 0.000 0.852 75 N CB -0.189 38.099 38.487 -0.331 0.000 1.003 75 N HN 0.379 nan 8.380 nan 0.000 0.424 76 A N 0.922 123.707 122.820 -0.057 0.000 1.898 76 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 76 A C 2.013 179.623 177.584 0.043 0.000 1.181 76 A CA 0.862 52.905 52.037 0.010 0.000 0.620 76 A CB -0.928 18.099 19.000 0.044 0.000 0.819 76 A HN 0.345 nan 8.150 nan 0.000 0.442 77 F N 0.328 120.215 119.950 -0.105 0.000 2.134 77 F HA -0.255 4.271 4.527 -0.001 0.000 0.299 77 F C 2.424 178.203 175.800 -0.034 0.000 1.097 77 F CA 1.959 59.913 58.000 -0.077 0.000 1.264 77 F CB -0.326 38.542 39.000 -0.219 0.000 1.001 77 F HN 0.299 nan 8.300 nan 0.000 0.479 78 c N -0.747 117.972 118.600 0.199 0.000 2.440 78 c HA -0.128 4.442 4.570 -0.000 0.000 0.278 78 c C 3.169 177.325 174.090 0.109 0.000 1.295 78 c CA 1.370 57.814 56.329 0.192 0.000 1.738 78 c CB -1.254 41.309 42.510 0.089 0.000 1.987 78 c HN 0.663 nan 8.230 nan 0.000 0.492 79 S N -0.060 115.654 115.700 0.024 0.000 2.368 79 S HA -0.186 4.284 4.470 -0.000 0.000 0.225 79 S C 2.025 176.590 174.600 -0.060 0.000 1.030 79 S CA 1.454 59.644 58.200 -0.016 0.000 0.999 79 S CB -0.251 62.935 63.200 -0.023 0.000 0.844 79 S HN 0.614 nan 8.310 nan 0.000 0.459 80 Q N -0.240 119.513 119.800 -0.078 0.000 2.079 80 Q HA -0.076 4.264 4.340 -0.000 0.000 0.200 80 Q C 1.889 177.791 176.000 -0.162 0.000 0.974 80 Q CA 1.215 56.934 55.803 -0.139 0.000 0.840 80 Q CB -0.678 27.968 28.738 -0.153 0.000 0.898 80 Q HN 0.703 nan 8.270 nan 0.000 0.430 81 F N 2.102 121.877 119.950 -0.291 0.000 2.126 81 F HA -0.235 4.292 4.527 -0.001 0.000 0.299 81 F C 2.541 178.225 175.800 -0.193 0.000 1.096 81 F CA 1.820 59.674 58.000 -0.243 0.000 1.255 81 F CB -0.367 38.563 39.000 -0.115 0.000 0.997 81 F HN 0.112 nan 8.300 nan 0.000 0.479 82 S N -0.058 115.567 115.700 -0.125 0.000 2.428 82 S HA -0.128 4.342 4.470 -0.000 0.000 0.230 82 S C 2.166 176.603 174.600 -0.271 0.000 1.014 82 S CA 0.635 58.714 58.200 -0.203 0.000 0.957 82 S CB -0.630 62.536 63.200 -0.057 0.000 0.784 82 S HN 0.472 nan 8.310 nan 0.000 0.499 83 R N 1.051 121.388 120.500 -0.272 0.000 2.115 83 R HA 0.085 4.425 4.340 -0.000 0.000 0.230 83 R C 1.423 177.493 176.300 -0.384 0.000 1.111 83 R CA 0.867 56.776 56.100 -0.318 0.000 0.976 83 R CB -0.526 29.545 30.300 -0.381 0.000 0.870 83 R HN 0.668 nan 8.270 nan 0.000 0.445 84 G N 0.786 109.308 108.800 -0.464 0.000 2.173 84 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.174 84 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.174 84 G C 0.088 174.619 174.900 -0.614 0.000 1.025 84 G CA 0.005 44.767 45.100 -0.563 0.000 0.706 84 G HN 0.260 nan 8.290 nan 0.000 0.499 85 V N -2.310 117.321 119.914 -0.472 0.000 2.963 85 V HA 0.536 4.656 4.120 -0.000 0.000 0.306 85 V C 1.366 177.303 176.094 -0.262 0.000 1.077 85 V CA -0.202 61.888 62.300 -0.350 0.000 1.124 85 V CB 0.460 32.207 31.823 -0.127 0.000 0.987 85 V HN 0.214 nan 8.190 nan 0.000 0.487 86 Y N 2.165 122.520 120.300 0.092 0.000 2.500 86 Y HA 0.696 5.246 4.550 0.001 0.000 0.270 86 Y C 1.059 177.312 175.900 0.589 0.000 1.134 86 Y CA 0.304 58.655 58.100 0.419 0.000 1.293 86 Y CB -0.300 38.432 38.460 0.452 0.000 1.063 86 Y HN 1.133 nan 8.280 nan 0.000 0.534 87 A N -0.578 122.546 122.820 0.508 0.000 2.549 87 A HA 0.603 4.923 4.320 -0.000 0.000 0.291 87 A C -1.781 175.970 177.584 0.278 0.000 1.034 87 A CA -0.713 51.582 52.037 0.430 0.000 0.655 87 A CB 0.248 19.539 19.000 0.485 0.000 1.299 87 A HN 0.021 nan 8.150 nan 0.000 0.427 88 I N 1.092 121.790 120.570 0.213 0.000 2.447 88 I HA 0.436 4.606 4.170 -0.000 0.000 0.287 88 I C -0.874 175.186 176.117 -0.096 0.000 1.023 88 I CA -0.367 60.996 61.300 0.106 0.000 1.083 88 I CB 1.758 39.841 38.000 0.137 0.000 1.245 88 I HN 0.671 nan 8.210 nan 0.000 0.434 89 F N 5.904 125.749 119.950 -0.175 0.000 2.394 89 F HA 0.809 5.335 4.527 -0.000 0.000 0.340 89 F C 0.395 175.833 175.800 -0.604 0.000 1.105 89 F CA 0.130 57.906 58.000 -0.373 0.000 1.124 89 F CB 1.171 40.133 39.000 -0.065 0.000 1.145 89 F HN 0.487 nan 8.300 nan 0.000 0.505 90 G N 4.168 111.807 108.800 -1.936 0.000 2.489 90 G HA2 0.437 4.397 3.960 -0.000 0.000 0.305 90 G HA3 0.437 4.397 3.960 -0.000 0.000 0.305 90 G C -2.169 172.026 174.900 -1.174 0.000 1.311 90 G CA -0.899 43.427 45.100 -1.291 0.000 0.813 90 G HN 0.542 nan 8.290 nan 0.000 0.480 91 F N 0.046 119.748 119.950 -0.413 0.000 2.561 91 F HA 0.769 5.296 4.527 0.000 0.000 0.321 91 F C -0.086 175.682 175.800 -0.054 0.000 1.065 91 F CA -0.715 57.097 58.000 -0.313 0.000 0.934 91 F CB 2.440 41.280 39.000 -0.267 0.000 1.215 91 F HN 0.668 nan 8.300 nan 0.000 0.471 92 Y N -0.784 119.612 120.300 0.159 0.000 2.669 92 Y HA 0.796 5.345 4.550 -0.001 0.000 0.335 92 Y C -1.316 174.659 175.900 0.126 0.000 1.116 92 Y CA -1.797 56.340 58.100 0.062 0.000 1.081 92 Y CB 0.651 39.042 38.460 -0.114 0.000 1.297 92 Y HN 0.553 nan 8.280 nan 0.000 0.484 93 D N -1.064 119.622 120.400 0.477 0.000 2.801 93 D HA 0.220 4.860 4.640 -0.000 0.000 0.277 93 D C 0.428 177.063 176.300 0.557 0.000 1.125 93 D CA -0.649 53.689 54.000 0.563 0.000 1.102 93 D CB 0.841 41.840 40.800 0.332 0.000 1.400 93 D HN 0.688 nan 8.370 nan 0.000 0.601 94 K N 0.010 120.675 120.400 0.442 0.000 2.152 94 K HA -0.134 4.186 4.320 -0.000 0.000 0.206 94 K C 1.384 178.088 176.600 0.173 0.000 1.048 94 K CA 1.082 57.536 56.287 0.278 0.000 0.933 94 K CB -0.157 32.385 32.500 0.069 0.000 0.721 94 K HN 0.205 nan 8.250 nan 0.000 0.447 95 K N 0.717 121.202 120.400 0.142 0.000 2.305 95 K HA 0.012 4.332 4.320 -0.000 0.000 0.199 95 K C 1.799 178.433 176.600 0.057 0.000 1.047 95 K CA 1.247 57.585 56.287 0.084 0.000 0.976 95 K CB 0.299 32.844 32.500 0.075 0.000 0.765 95 K HN 0.360 nan 8.250 nan 0.000 0.474 96 S N -0.424 115.316 115.700 0.066 0.000 2.540 96 S HA 0.030 4.500 4.470 -0.000 0.000 0.222 96 S C 1.714 176.248 174.600 -0.110 0.000 1.008 96 S CA -0.260 57.941 58.200 0.002 0.000 0.939 96 S CB 0.342 63.566 63.200 0.041 0.000 0.865 96 S HN 0.044 nan 8.310 nan 0.000 0.499 97 V N 3.094 122.907 119.914 -0.169 0.000 2.392 97 V HA -0.236 3.884 4.120 -0.000 0.000 0.249 97 V C 1.763 177.606 176.094 -0.419 0.000 1.059 97 V CA 2.497 64.452 62.300 -0.575 0.000 1.051 97 V CB -1.079 30.330 31.823 -0.690 0.000 0.658 97 V HN 0.584 nan 8.190 nan 0.000 0.455 98 N N -0.733 117.841 118.700 -0.210 0.000 2.244 98 N HA -0.128 4.612 4.740 -0.000 0.000 0.183 98 N C 1.759 177.190 175.510 -0.131 0.000 1.016 98 N CA 1.703 54.664 53.050 -0.149 0.000 0.866 98 N CB -0.286 38.157 38.487 -0.073 0.000 0.980 98 N HN 0.463 nan 8.380 nan 0.000 0.430 99 T N 1.256 115.734 114.554 -0.127 0.000 2.684 99 T HA -0.073 4.277 4.350 -0.000 0.000 0.267 99 T C 1.766 176.343 174.700 -0.204 0.000 1.036 99 T CA 0.750 62.787 62.100 -0.105 0.000 1.148 99 T CB -0.108 68.650 68.868 -0.184 0.000 0.863 99 T HN 0.128 nan 8.240 nan 0.000 0.436 100 I N 2.125 122.489 120.570 -0.344 0.000 2.179 100 I HA -0.154 4.016 4.170 -0.000 0.000 0.242 100 I C 3.009 178.920 176.117 -0.344 0.000 1.088 100 I CA 1.980 62.992 61.300 -0.481 0.000 1.357 100 I CB -1.870 35.701 38.000 -0.714 0.000 1.051 100 I HN 0.452 nan 8.210 nan 0.000 0.409 101 T N -2.276 112.102 114.554 -0.294 0.000 2.746 101 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 101 T C 2.151 176.794 174.700 -0.096 0.000 1.039 101 T CA 1.817 63.819 62.100 -0.163 0.000 1.142 101 T CB -0.635 68.143 68.868 -0.150 0.000 0.866 101 T HN 0.200 nan 8.240 nan 0.000 0.444 102 S N -0.024 115.609 115.700 -0.112 0.000 2.371 102 S HA 0.058 4.528 4.470 -0.000 0.000 0.224 102 S C 1.631 176.097 174.600 -0.223 0.000 1.029 102 S CA 0.587 58.706 58.200 -0.136 0.000 0.978 102 S CB -0.677 62.438 63.200 -0.143 0.000 0.833 102 S HN 0.495 nan 8.310 nan 0.000 0.466 103 F N 1.317 121.024 119.950 -0.404 0.000 2.146 103 F HA -0.045 4.482 4.527 0.001 0.000 0.298 103 F C 2.774 178.337 175.800 -0.396 0.000 1.096 103 F CA 0.852 58.504 58.000 -0.581 0.000 1.275 103 F CB -0.807 37.483 39.000 -1.184 0.000 1.008 103 F HN 0.309 nan 8.300 nan 0.000 0.480 104 C N -0.280 118.968 119.300 -0.088 0.000 2.429 104 C HA -0.097 4.363 4.460 -0.000 0.000 0.277 104 C C 3.125 178.122 174.990 0.012 0.000 1.262 104 C CA 1.293 60.394 59.018 0.138 0.000 1.733 104 C CB -1.676 26.210 27.740 0.243 0.000 2.010 104 C HN 0.642 nan 8.230 nan 0.000 0.483 105 G N -0.120 108.703 108.800 0.038 0.000 2.408 105 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.217 105 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.217 105 G C 1.690 176.605 174.900 0.025 0.000 1.150 105 G CA 1.628 46.782 45.100 0.090 0.000 0.776 105 G HN 0.511 nan 8.290 nan 0.000 0.542 106 T N 1.009 115.521 114.554 -0.069 0.000 2.812 106 T HA 0.060 4.410 4.350 -0.000 0.000 0.264 106 T C 2.169 176.820 174.700 -0.083 0.000 1.042 106 T CA 0.635 62.674 62.100 -0.100 0.000 1.140 106 T CB -0.101 68.604 68.868 -0.271 0.000 0.870 106 T HN 0.137 nan 8.240 nan 0.000 0.445 107 L N -0.326 120.831 121.223 -0.111 0.000 2.607 107 L HA 0.286 4.626 4.340 -0.000 0.000 0.228 107 L C 0.123 177.003 176.870 0.017 0.000 1.123 107 L CA 0.163 54.939 54.840 -0.107 0.000 0.890 107 L CB -0.427 41.483 42.059 -0.248 0.000 1.103 107 L HN 0.497 nan 8.230 nan 0.000 0.468 108 H N -1.371 117.403 119.070 -0.494 0.000 2.839 108 H HA -0.114 4.442 4.556 -0.000 0.000 0.298 108 H C -0.336 174.748 175.328 -0.408 0.000 1.224 108 H CA -0.390 54.958 56.048 -1.166 0.000 1.144 108 H CB -1.584 27.847 29.762 -0.551 0.000 1.372 108 H HN 0.084 nan 8.280 nan 0.000 0.408 109 V N 1.590 121.536 119.914 0.054 0.000 2.370 109 V HA 0.171 4.291 4.120 -0.000 0.000 0.283 109 V C 0.600 176.966 176.094 0.453 0.000 1.023 109 V CA -0.261 62.282 62.300 0.405 0.000 0.857 109 V CB 1.870 33.963 31.823 0.449 0.000 0.985 109 V HN 0.269 nan 8.190 nan 0.000 0.443 110 S N 5.042 121.047 115.700 0.509 0.000 2.548 110 S HA 0.492 4.962 4.470 -0.000 0.000 0.277 110 S C -0.619 174.231 174.600 0.416 0.000 1.315 110 S CA -0.122 58.357 58.200 0.465 0.000 1.050 110 S CB 0.340 63.740 63.200 0.333 0.000 0.918 110 S HN 0.550 nan 8.310 nan 0.000 0.497 111 F N 3.797 123.873 119.950 0.210 0.000 2.427 111 F HA 0.577 5.104 4.527 -0.001 0.000 0.348 111 F C -1.123 174.695 175.800 0.031 0.000 1.125 111 F CA -1.023 57.056 58.000 0.131 0.000 0.989 111 F CB 0.466 39.562 39.000 0.160 0.000 1.165 111 F HN 0.334 nan 8.300 nan 0.000 0.442 112 I N 4.876 125.269 120.570 -0.296 0.000 2.336 112 I HA 0.500 4.670 4.170 -0.000 0.000 0.292 112 I C 0.035 175.801 176.117 -0.584 0.000 0.991 112 I CA -0.178 60.980 61.300 -0.236 0.000 1.227 112 I CB 1.836 39.826 38.000 -0.017 0.000 1.366 112 I HN 0.560 nan 8.210 nan 0.000 0.466 113 T N 6.295 120.585 114.554 -0.441 0.000 2.956 113 T HA 0.522 4.872 4.350 -0.000 0.000 0.312 113 T C -2.511 171.905 174.700 -0.472 0.000 1.151 113 T CA -1.500 60.167 62.100 -0.721 0.000 1.024 113 T CB 2.015 70.552 68.868 -0.552 0.000 1.140 113 T HN 0.276 nan 8.240 nan 0.000 0.473 114 P HA 0.290 nan 4.420 nan 0.000 0.255 114 P C 0.142 177.285 177.300 -0.261 0.000 1.248 114 P CA -0.068 62.845 63.100 -0.311 0.000 0.807 114 P CB 0.231 31.783 31.700 -0.246 0.000 1.150 115 S N 0.681 116.092 115.700 -0.481 0.000 2.641 115 S HA 0.347 4.817 4.470 -0.000 0.000 0.261 115 S C 0.279 174.763 174.600 -0.194 0.000 1.257 115 S CA -0.582 57.382 58.200 -0.393 0.000 0.983 115 S CB -0.252 62.353 63.200 -0.992 0.000 0.990 115 S HN 0.200 nan 8.310 nan 0.000 0.572 116 F N 0.804 120.789 119.950 0.059 0.000 2.607 116 F HA 0.428 4.954 4.527 -0.000 0.000 0.374 116 F C -2.577 173.334 175.800 0.186 0.000 1.104 116 F CA -2.289 55.798 58.000 0.144 0.000 1.296 116 F CB -1.048 38.057 39.000 0.174 0.000 1.085 116 F HN 0.162 nan 8.300 nan 0.000 0.584 117 P HA 0.277 nan 4.420 nan 0.000 0.276 117 P C -0.657 176.784 177.300 0.234 0.000 1.244 117 P CA -0.433 62.760 63.100 0.156 0.000 0.801 117 P CB 1.291 33.079 31.700 0.146 0.000 1.006 118 T N -2.910 111.724 114.554 0.133 0.000 2.908 118 T HA 0.384 4.734 4.350 -0.000 0.000 0.290 118 T C 0.264 175.119 174.700 0.259 0.000 1.034 118 T CA -0.547 61.662 62.100 0.182 0.000 1.010 118 T CB 1.343 70.243 68.868 0.052 0.000 1.068 118 T HN 0.094 nan 8.240 nan 0.000 0.481 119 D N 1.202 121.723 120.400 0.201 0.000 2.305 119 D HA 0.192 4.832 4.640 -0.000 0.000 0.206 119 D C 1.462 177.840 176.300 0.130 0.000 0.974 119 D CA 0.516 54.610 54.000 0.158 0.000 0.871 119 D CB -0.360 40.504 40.800 0.108 0.000 0.947 119 D HN 0.828 nan 8.370 nan 0.000 0.516 120 G N -0.042 108.849 108.800 0.152 0.000 2.716 120 G HA2 0.128 4.088 3.960 -0.000 0.000 0.251 120 G HA3 0.128 4.088 3.960 -0.000 0.000 0.251 120 G C 0.040 174.968 174.900 0.047 0.000 1.224 120 G CA -0.200 44.960 45.100 0.101 0.000 0.891 120 G HN 0.071 nan 8.290 nan 0.000 0.561 121 T N -0.664 113.877 114.554 -0.020 0.000 2.799 121 T HA 0.337 4.687 4.350 -0.000 0.000 0.296 121 T C -0.174 174.494 174.700 -0.052 0.000 0.947 121 T CA -0.273 61.758 62.100 -0.116 0.000 1.141 121 T CB -0.288 68.539 68.868 -0.069 0.000 0.891 121 T HN 0.757 nan 8.240 nan 0.000 0.533 122 H N 2.804 121.873 119.070 -0.001 0.000 2.607 122 H HA 0.521 5.077 4.556 0.000 0.000 0.248 122 H C -3.102 172.232 175.328 0.011 0.000 1.355 122 H CA -2.408 53.645 56.048 0.008 0.000 1.524 122 H CB 0.106 29.870 29.762 0.003 0.000 1.563 122 H HN 0.357 nan 8.280 nan 0.000 0.509 123 P HA 0.012 nan 4.420 nan 0.000 0.266 123 P C -0.155 177.262 177.300 0.196 0.000 1.195 123 P CA 0.027 63.110 63.100 -0.028 0.000 0.768 123 P CB 0.202 31.912 31.700 0.017 0.000 0.838 124 F N -1.054 118.918 119.950 0.036 0.000 2.746 124 F HA -0.187 4.340 4.527 0.001 0.000 0.315 124 F C -0.068 175.820 175.800 0.146 0.000 0.666 124 F CA 0.305 58.353 58.000 0.080 0.000 1.381 124 F CB -2.032 37.029 39.000 0.101 0.000 1.739 124 F HN 0.028 nan 8.300 nan 0.000 0.322 125 V N 2.747 122.824 119.914 0.272 0.000 2.378 125 V HA 0.468 4.588 4.120 -0.000 0.000 0.288 125 V C 0.283 176.472 176.094 0.159 0.000 1.016 125 V CA -0.832 61.619 62.300 0.251 0.000 0.840 125 V CB 2.058 33.972 31.823 0.151 0.000 0.994 125 V HN 0.012 nan 8.190 nan 0.000 0.431 126 I N 4.603 125.202 120.570 0.049 0.000 2.307 126 I HA 0.389 4.559 4.170 -0.000 0.000 0.289 126 I C 0.218 176.303 176.117 -0.053 0.000 1.021 126 I CA -0.247 60.969 61.300 -0.140 0.000 1.224 126 I CB 1.213 39.010 38.000 -0.338 0.000 1.376 126 I HN 0.692 nan 8.210 nan 0.000 0.470 127 Q N 5.823 125.657 119.800 0.057 0.000 2.421 127 Q HA 0.310 4.650 4.340 -0.000 0.000 0.242 127 Q C 0.871 176.986 176.000 0.191 0.000 1.024 127 Q CA -0.525 55.332 55.803 0.090 0.000 0.891 127 Q CB 1.775 30.570 28.738 0.096 0.000 1.222 127 Q HN 0.487 nan 8.270 nan 0.000 0.483 128 M N 0.541 120.216 119.600 0.125 0.000 2.374 128 M HA -0.061 4.419 4.480 -0.000 0.000 0.264 128 M C 0.794 177.141 176.300 0.079 0.000 1.067 128 M CA 1.150 56.554 55.300 0.174 0.000 1.103 128 M CB -0.466 32.201 32.600 0.112 0.000 1.402 128 M HN 0.443 nan 8.290 nan 0.000 0.444 129 R N 1.889 122.415 120.500 0.044 0.000 2.267 129 R HA 0.216 4.556 4.340 -0.000 0.000 0.319 129 R C -2.419 173.837 176.300 -0.073 0.000 1.067 129 R CA -1.580 54.531 56.100 0.020 0.000 0.936 129 R CB 0.712 31.060 30.300 0.080 0.000 1.006 129 R HN -0.056 nan 8.270 nan 0.000 0.452 130 P HA -0.009 nan 4.420 nan 0.000 0.269 130 P C -0.977 176.133 177.300 -0.317 0.000 1.209 130 P CA -0.162 62.601 63.100 -0.561 0.000 0.776 130 P CB 0.603 31.686 31.700 -1.028 0.000 0.876 131 D N 1.068 121.346 120.400 -0.203 0.000 2.414 131 D HA 0.042 4.682 4.640 -0.000 0.000 0.242 131 D C 0.585 176.804 176.300 -0.134 0.000 1.129 131 D CA 0.054 54.022 54.000 -0.054 0.000 0.885 131 D CB 0.438 41.283 40.800 0.074 0.000 1.198 131 D HN 0.121 nan 8.370 nan 0.000 0.437 132 L N 3.395 124.499 121.223 -0.198 0.000 2.638 132 L HA 0.250 4.590 4.340 -0.000 0.000 0.232 132 L C 1.556 178.154 176.870 -0.452 0.000 1.099 132 L CA 0.646 55.252 54.840 -0.391 0.000 0.883 132 L CB -0.102 41.716 42.059 -0.402 0.000 1.136 132 L HN 0.375 nan 8.230 nan 0.000 0.492 133 K N -0.208 120.034 120.400 -0.263 0.000 2.057 133 K HA -0.054 4.266 4.320 -0.000 0.000 0.207 133 K C 1.943 178.379 176.600 -0.273 0.000 1.049 133 K CA 1.360 57.524 56.287 -0.204 0.000 0.931 133 K CB -0.579 31.875 32.500 -0.078 0.000 0.714 133 K HN 0.484 nan 8.250 nan 0.000 0.440 134 G N 1.324 109.921 108.800 -0.338 0.000 2.418 134 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 134 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 134 G C 1.660 176.054 174.900 -0.844 0.000 1.158 134 G CA 0.982 45.873 45.100 -0.348 0.000 0.771 134 G HN 0.359 nan 8.290 nan 0.000 0.545 135 A N 0.313 122.191 122.820 -1.570 0.000 1.933 135 A HA 0.084 4.404 4.320 -0.000 0.000 0.218 135 A C 2.343 179.584 177.584 -0.572 0.000 1.175 135 A CA 1.666 52.798 52.037 -1.508 0.000 0.628 135 A CB -0.403 17.919 19.000 -1.130 0.000 0.814 135 A HN 0.444 nan 8.150 nan 0.000 0.444 136 L N -0.152 120.749 121.223 -0.537 0.000 2.017 136 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 136 L C 2.256 179.067 176.870 -0.099 0.000 1.073 136 L CA 1.684 56.399 54.840 -0.210 0.000 0.745 136 L CB -0.545 41.377 42.059 -0.228 0.000 0.894 136 L HN 0.397 nan 8.230 nan 0.000 0.432 137 L N -1.200 119.976 121.223 -0.078 0.000 2.046 137 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 137 L C 2.464 179.392 176.870 0.096 0.000 1.077 137 L CA 1.355 56.248 54.840 0.089 0.000 0.747 137 L CB -0.755 41.394 42.059 0.149 0.000 0.896 137 L HN 0.218 nan 8.230 nan 0.000 0.432 138 S N -0.051 115.681 115.700 0.054 0.000 2.402 138 S HA -0.143 4.327 4.470 -0.000 0.000 0.229 138 S C 1.820 176.428 174.600 0.014 0.000 1.021 138 S CA 1.050 59.324 58.200 0.122 0.000 0.974 138 S CB -0.221 63.168 63.200 0.315 0.000 0.800 138 S HN 0.231 nan 8.310 nan 0.000 0.484 139 L N 1.762 122.940 121.223 -0.074 0.000 2.109 139 L HA 0.134 4.474 4.340 -0.000 0.000 0.207 139 L C 1.815 178.476 176.870 -0.348 0.000 1.086 139 L CA 1.359 56.068 54.840 -0.219 0.000 0.760 139 L CB -0.516 41.437 42.059 -0.177 0.000 0.910 139 L HN 0.264 nan 8.230 nan 0.000 0.437 140 I N -0.446 119.902 120.570 -0.369 0.000 2.163 140 I HA -0.325 3.845 4.170 -0.000 0.000 0.243 140 I C 2.285 178.190 176.117 -0.353 0.000 1.085 140 I CA 1.615 62.541 61.300 -0.623 0.000 1.347 140 I CB -0.321 37.239 38.000 -0.732 0.000 1.044 140 I HN 0.334 nan 8.210 nan 0.000 0.408 141 E N -0.209 119.950 120.200 -0.067 0.000 2.106 141 E HA -0.259 4.091 4.350 -0.000 0.000 0.192 141 E C 2.030 178.640 176.600 0.017 0.000 0.984 141 E CA 1.175 57.632 56.400 0.094 0.000 0.806 141 E CB -0.232 29.591 29.700 0.205 0.000 0.750 141 E HN 0.490 nan 8.360 nan 0.000 0.458 142 Y N 0.046 120.225 120.300 -0.202 0.000 2.165 142 Y HA -0.276 4.274 4.550 0.000 0.000 0.286 142 Y C 1.408 177.147 175.900 -0.268 0.000 1.155 142 Y CA 1.521 59.454 58.100 -0.279 0.000 1.164 142 Y CB -0.160 38.029 38.460 -0.451 0.000 0.978 142 Y HN 0.048 nan 8.280 nan 0.000 0.513 143 Y N 0.976 121.121 120.300 -0.259 0.000 2.578 143 Y HA 0.033 4.583 4.550 -0.000 0.000 0.297 143 Y C 0.850 176.704 175.900 -0.077 0.000 1.176 143 Y CA 0.542 58.468 58.100 -0.289 0.000 1.315 143 Y CB -0.808 37.350 38.460 -0.503 0.000 1.031 143 Y HN 0.273 nan 8.280 nan 0.000 0.524 144 Q N -2.123 117.706 119.800 0.049 0.000 2.475 144 Q HA -0.249 4.091 4.340 -0.000 0.000 0.280 144 Q C -1.092 175.074 176.000 0.277 0.000 1.234 144 Q CA 0.176 56.062 55.803 0.139 0.000 0.873 144 Q CB -1.651 27.144 28.738 0.095 0.000 1.256 144 Q HN 0.390 nan 8.270 nan 0.000 0.475 145 W N 1.153 122.414 121.300 -0.064 0.000 2.190 145 W HA 0.163 4.823 4.660 -0.000 0.000 0.330 145 W C 1.109 177.580 176.519 -0.080 0.000 1.299 145 W CA 0.331 57.611 57.345 -0.109 0.000 1.215 145 W CB 0.240 29.526 29.460 -0.290 0.000 1.147 145 W HN 0.319 nan 8.180 nan 0.000 0.563 146 D N -0.420 120.114 120.400 0.224 0.000 2.525 146 D HA 0.106 4.746 4.640 -0.000 0.000 0.231 146 D C -0.270 176.140 176.300 0.183 0.000 1.216 146 D CA -0.289 53.866 54.000 0.259 0.000 0.813 146 D CB 0.175 41.137 40.800 0.270 0.000 1.108 146 D HN 0.238 nan 8.370 nan 0.000 0.524 147 K N 0.529 121.001 120.400 0.120 0.000 2.588 147 K HA 0.502 4.822 4.320 -0.000 0.000 0.250 147 K C -1.911 174.677 176.600 -0.020 0.000 0.972 147 K CA -0.786 55.479 56.287 -0.036 0.000 0.821 147 K CB 1.272 33.738 32.500 -0.057 0.000 1.249 147 K HN 0.030 nan 8.250 nan 0.000 0.442 148 F N 0.540 120.420 119.950 -0.116 0.000 2.741 148 F HA 0.734 5.261 4.527 -0.000 0.000 0.311 148 F C -1.631 174.165 175.800 -0.006 0.000 1.149 148 F CA -1.268 56.637 58.000 -0.158 0.000 0.930 148 F CB 0.808 39.719 39.000 -0.150 0.000 1.312 148 F HN 0.366 nan 8.300 nan 0.000 0.450 149 A N 1.102 124.068 122.820 0.245 0.000 2.312 149 A HA 0.661 4.981 4.320 -0.000 0.000 0.326 149 A C -2.157 175.702 177.584 0.458 0.000 1.172 149 A CA -0.613 51.562 52.037 0.230 0.000 0.821 149 A CB 0.657 19.737 19.000 0.134 0.000 1.166 149 A HN 0.987 nan 8.150 nan 0.000 0.493 150 Y N 3.199 123.664 120.300 0.275 0.000 2.464 150 Y HA 0.546 5.096 4.550 0.000 0.000 0.326 150 Y C -1.108 174.980 175.900 0.313 0.000 0.969 150 Y CA -0.725 57.569 58.100 0.324 0.000 1.270 150 Y CB 0.911 39.553 38.460 0.304 0.000 1.103 150 Y HN 0.525 nan 8.280 nan 0.000 0.491 151 L N 8.644 129.852 121.223 -0.025 0.000 2.262 151 L HA 0.392 4.732 4.340 -0.000 0.000 0.288 151 L C -0.817 175.982 176.870 -0.118 0.000 1.035 151 L CA -0.897 53.941 54.840 -0.004 0.000 0.820 151 L CB 0.125 42.203 42.059 0.032 0.000 1.204 151 L HN 0.665 nan 8.230 nan 0.000 0.424 152 Y N 0.611 120.772 120.300 -0.232 0.000 2.633 152 Y HA 0.612 5.162 4.550 0.000 0.000 0.339 152 Y C 0.045 175.919 175.900 -0.044 0.000 1.045 152 Y CA -1.095 56.888 58.100 -0.195 0.000 1.098 152 Y CB 1.510 39.875 38.460 -0.159 0.000 1.296 152 Y HN 0.495 nan 8.280 nan 0.000 0.494 153 D N -1.143 119.233 120.400 -0.039 0.000 2.525 153 D HA 0.158 4.798 4.640 -0.000 0.000 0.231 153 D C 0.410 176.700 176.300 -0.016 0.000 1.216 153 D CA 0.332 54.272 54.000 -0.100 0.000 0.813 153 D CB 0.291 41.072 40.800 -0.032 0.000 1.108 153 D HN 0.708 nan 8.370 nan 0.000 0.524 154 S N -0.401 115.369 115.700 0.117 0.000 1.646 154 S HA -0.226 4.244 4.470 -0.000 0.000 0.244 154 S C 0.687 175.296 174.600 0.015 0.000 0.878 154 S CA 1.231 59.498 58.200 0.112 0.000 1.313 154 S CB -1.600 61.636 63.200 0.059 0.000 1.591 154 S HN 0.364 nan 8.310 nan 0.000 0.522 155 D N 1.304 121.706 120.400 0.004 0.000 2.350 155 D HA 0.051 4.691 4.640 -0.000 0.000 0.216 155 D C 1.285 177.500 176.300 -0.142 0.000 0.968 155 D CA 0.750 54.739 54.000 -0.019 0.000 0.894 155 D CB -0.080 40.745 40.800 0.041 0.000 0.909 155 D HN 0.480 nan 8.370 nan 0.000 0.520 156 R N 0.157 120.511 120.500 -0.243 0.000 2.791 156 R HA 0.419 4.759 4.340 -0.000 0.000 0.357 156 R C 0.212 175.971 176.300 -0.903 0.000 1.173 156 R CA -0.168 55.580 56.100 -0.586 0.000 1.060 156 R CB 0.825 31.047 30.300 -0.131 0.000 1.406 156 R HN 0.075 nan 8.270 nan 0.000 0.580 157 G N 0.427 108.761 108.800 -0.776 0.000 2.785 157 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.685 157 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.685 157 G C -0.221 174.597 174.900 -0.137 0.000 1.480 157 G CA -0.895 43.960 45.100 -0.408 0.000 0.915 157 G HN 0.201 nan 8.290 nan 0.000 0.576 158 L N 1.852 123.052 121.223 -0.038 0.000 2.628 158 L HA 0.307 4.647 4.340 -0.000 0.000 0.229 158 L C 2.593 179.456 176.870 -0.012 0.000 1.137 158 L CA 1.898 56.744 54.840 0.010 0.000 0.909 158 L CB -0.079 42.003 42.059 0.038 0.000 1.137 158 L HN 0.912 nan 8.230 nan 0.000 0.470 159 S N -0.974 114.724 115.700 -0.004 0.000 2.374 159 S HA -0.234 4.236 4.470 -0.000 0.000 0.227 159 S C 1.912 176.506 174.600 -0.010 0.000 1.037 159 S CA 2.397 60.602 58.200 0.009 0.000 1.024 159 S CB 0.000 63.227 63.200 0.045 0.000 0.861 159 S HN 0.565 nan 8.310 nan 0.000 0.456 160 T N 2.738 117.295 114.554 0.004 0.000 2.777 160 T HA -0.036 4.314 4.350 -0.000 0.000 0.266 160 T C 1.694 176.329 174.700 -0.109 0.000 1.040 160 T CA 1.258 63.359 62.100 0.001 0.000 1.141 160 T CB -0.584 68.342 68.868 0.097 0.000 0.868 160 T HN 0.363 nan 8.240 nan 0.000 0.444 161 L N 1.417 122.561 121.223 -0.132 0.000 1.978 161 L HA -0.226 4.114 4.340 -0.000 0.000 0.218 161 L C 2.458 179.175 176.870 -0.255 0.000 1.075 161 L CA 1.960 56.591 54.840 -0.348 0.000 0.767 161 L CB -0.918 40.927 42.059 -0.356 0.000 0.890 161 L HN 0.219 nan 8.230 nan 0.000 0.434 162 Q N -0.736 118.981 119.800 -0.138 0.000 2.077 162 Q HA -0.248 4.092 4.340 -0.000 0.000 0.206 162 Q C 2.237 178.192 176.000 -0.076 0.000 0.989 162 Q CA 2.328 58.080 55.803 -0.086 0.000 0.853 162 Q CB -0.465 28.247 28.738 -0.043 0.000 0.907 162 Q HN 0.757 nan 8.270 nan 0.000 0.418 163 A N -0.259 122.521 122.820 -0.067 0.000 1.902 163 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 163 A C 2.285 179.853 177.584 -0.026 0.000 1.181 163 A CA 1.415 53.430 52.037 -0.037 0.000 0.623 163 A CB -0.651 18.336 19.000 -0.022 0.000 0.818 163 A HN 0.241 nan 8.150 nan 0.000 0.443 164 V N 0.155 120.024 119.914 -0.075 0.000 2.307 164 V HA -0.235 3.885 4.120 -0.000 0.000 0.245 164 V C 2.566 178.686 176.094 0.043 0.000 1.045 164 V CA 1.889 64.197 62.300 0.014 0.000 1.024 164 V CB -0.728 30.962 31.823 -0.222 0.000 0.651 164 V HN 0.566 nan 8.190 nan 0.000 0.449 165 L N -0.185 120.994 121.223 -0.074 0.000 2.046 165 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 165 L C 2.365 179.207 176.870 -0.047 0.000 1.077 165 L CA 1.541 56.351 54.840 -0.050 0.000 0.747 165 L CB -0.780 41.233 42.059 -0.077 0.000 0.896 165 L HN 0.356 nan 8.230 nan 0.000 0.432 166 D N -0.489 119.878 120.400 -0.055 0.000 2.144 166 D HA -0.127 4.513 4.640 -0.000 0.000 0.200 166 D C 2.388 178.619 176.300 -0.114 0.000 0.978 166 D CA 1.239 55.198 54.000 -0.068 0.000 0.833 166 D CB -0.045 40.723 40.800 -0.052 0.000 0.961 166 D HN 0.148 nan 8.370 nan 0.000 0.470 167 S N 0.493 116.117 115.700 -0.126 0.000 2.383 167 S HA -0.062 4.408 4.470 -0.000 0.000 0.227 167 S C 2.111 176.369 174.600 -0.569 0.000 1.026 167 S CA 0.850 58.863 58.200 -0.312 0.000 0.981 167 S CB -0.110 62.937 63.200 -0.256 0.000 0.818 167 S HN 0.351 nan 8.310 nan 0.000 0.472 168 A N 1.692 124.344 122.820 -0.281 0.000 1.940 168 A HA 0.026 4.346 4.320 -0.000 0.000 0.219 168 A C 2.336 179.788 177.584 -0.221 0.000 1.176 168 A CA 1.756 53.686 52.037 -0.179 0.000 0.631 168 A CB -1.026 18.044 19.000 0.117 0.000 0.814 168 A HN 0.517 nan 8.150 nan 0.000 0.446 169 A N -0.599 122.123 122.820 -0.165 0.000 1.898 169 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 169 A C 1.991 179.477 177.584 -0.164 0.000 1.181 169 A CA 2.028 53.989 52.037 -0.127 0.000 0.620 169 A CB -0.416 18.530 19.000 -0.090 0.000 0.819 169 A HN 0.552 nan 8.150 nan 0.000 0.442 170 E N -0.168 119.899 120.200 -0.221 0.000 2.072 170 E HA -0.069 4.281 4.350 -0.000 0.000 0.190 170 E C 1.593 178.035 176.600 -0.265 0.000 0.982 170 E CA 1.091 57.365 56.400 -0.210 0.000 0.803 170 E CB 0.071 29.651 29.700 -0.201 0.000 0.755 170 E HN 0.326 nan 8.360 nan 0.000 0.453 171 K N 0.492 120.607 120.400 -0.475 0.000 2.404 171 K HA 0.059 4.379 4.320 -0.000 0.000 0.194 171 K C -0.228 176.155 176.600 -0.360 0.000 1.023 171 K CA 0.193 56.153 56.287 -0.545 0.000 1.094 171 K CB 0.618 32.407 32.500 -1.185 0.000 0.841 171 K HN -0.017 nan 8.250 nan 0.000 0.523 172 K N 0.155 120.402 120.400 -0.256 0.000 3.125 172 K HA -0.157 4.163 4.320 -0.000 0.000 0.268 172 K C -0.639 176.022 176.600 0.101 0.000 1.078 172 K CA 0.662 56.911 56.287 -0.063 0.000 0.775 172 K CB -2.445 30.048 32.500 -0.011 0.000 1.253 172 K HN 0.170 nan 8.250 nan 0.000 0.486 173 W N 1.311 122.628 121.300 0.028 0.000 2.237 173 W HA 0.286 4.946 4.660 -0.000 0.000 0.335 173 W C 1.044 177.508 176.519 -0.090 0.000 1.230 173 W CA -0.580 56.773 57.345 0.012 0.000 1.253 173 W CB 0.280 29.783 29.460 0.071 0.000 1.129 173 W HN 0.036 nan 8.180 nan 0.000 0.590 174 Q N 1.670 121.523 119.800 0.089 0.000 2.430 174 Q HA 0.343 4.683 4.340 -0.000 0.000 0.245 174 Q C -0.668 175.186 176.000 -0.242 0.000 1.021 174 Q CA -0.447 55.326 55.803 -0.052 0.000 0.867 174 Q CB 1.486 30.201 28.738 -0.039 0.000 1.210 174 Q HN 0.082 nan 8.270 nan 0.000 0.487 175 V N 2.354 122.119 119.914 -0.248 0.000 2.427 175 V HA 0.286 4.406 4.120 -0.000 0.000 0.286 175 V C 0.220 176.222 176.094 -0.153 0.000 1.034 175 V CA -0.492 61.575 62.300 -0.389 0.000 0.893 175 V CB 1.822 33.447 31.823 -0.330 0.000 0.982 175 V HN 0.629 nan 8.190 nan 0.000 0.452 176 T N 4.775 119.267 114.554 -0.103 0.000 2.832 176 T HA 0.543 4.893 4.350 -0.000 0.000 0.313 176 T C 0.161 174.929 174.700 0.113 0.000 1.035 176 T CA -0.139 61.965 62.100 0.008 0.000 0.950 176 T CB 0.823 69.693 68.868 0.003 0.000 0.984 176 T HN 0.850 nan 8.240 nan 0.000 0.486 177 A N 4.968 127.880 122.820 0.153 0.000 2.273 177 A HA 0.676 4.996 4.320 -0.000 0.000 0.320 177 A C -0.110 177.689 177.584 0.357 0.000 1.358 177 A CA -0.599 51.626 52.037 0.312 0.000 0.910 177 A CB -0.078 19.065 19.000 0.239 0.000 1.159 177 A HN 0.874 nan 8.150 nan 0.000 0.526 178 I N 2.723 123.501 120.570 0.347 0.000 2.355 178 I HA 0.150 4.320 4.170 -0.000 0.000 0.288 178 I C 0.049 176.157 176.117 -0.015 0.000 0.999 178 I CA -0.747 60.655 61.300 0.170 0.000 1.163 178 I CB 1.587 39.623 38.000 0.060 0.000 1.316 178 I HN 0.647 nan 8.210 nan 0.000 0.454 179 N N 6.562 125.117 118.700 -0.243 0.000 2.406 179 N HA 0.024 4.764 4.740 -0.000 0.000 0.269 179 N C 0.467 175.733 175.510 -0.407 0.000 1.210 179 N CA 0.155 52.715 53.050 -0.817 0.000 0.966 179 N CB 0.846 39.014 38.487 -0.532 0.000 1.293 179 N HN 0.404 nan 8.380 nan 0.000 0.491 180 V N 2.140 121.842 119.914 -0.353 0.000 3.630 180 V HA 0.152 4.272 4.120 -0.000 0.000 0.273 180 V C 1.599 177.602 176.094 -0.151 0.000 1.248 180 V CA 0.427 62.628 62.300 -0.166 0.000 1.170 180 V CB -1.096 30.701 31.823 -0.044 0.000 0.899 180 V HN 0.642 nan 8.190 nan 0.000 0.457 181 G N -0.300 108.372 108.800 -0.214 0.000 2.634 181 G HA2 0.270 4.230 3.960 -0.000 0.000 0.255 181 G HA3 0.270 4.230 3.960 -0.000 0.000 0.255 181 G C 0.159 174.999 174.900 -0.100 0.000 1.205 181 G CA -0.320 44.700 45.100 -0.133 0.000 0.884 181 G HN 0.450 nan 8.290 nan 0.000 0.549 182 N N -1.508 117.154 118.700 -0.062 0.000 2.642 182 N HA -0.154 4.586 4.740 -0.000 0.000 0.269 182 N C -0.456 175.015 175.510 -0.066 0.000 1.073 182 N CA 0.562 53.582 53.050 -0.050 0.000 0.748 182 N CB -0.866 37.595 38.487 -0.044 0.000 0.894 182 N HN 0.502 nan 8.380 nan 0.000 0.548 183 I N 0.258 120.789 120.570 -0.065 0.000 2.336 183 I HA 0.115 4.285 4.170 -0.000 0.000 0.292 183 I C 1.187 177.270 176.117 -0.056 0.000 0.991 183 I CA -0.567 60.681 61.300 -0.088 0.000 1.227 183 I CB 1.131 39.062 38.000 -0.117 0.000 1.366 183 I HN 0.261 nan 8.210 nan 0.000 0.466 184 N N 5.059 123.726 118.700 -0.057 0.000 2.666 184 N HA -0.119 4.621 4.740 -0.000 0.000 0.194 184 N C 0.081 175.576 175.510 -0.024 0.000 1.220 184 N CA 0.025 53.054 53.050 -0.035 0.000 0.928 184 N CB -0.205 38.262 38.487 -0.033 0.000 0.997 184 N HN 0.578 nan 8.380 nan 0.000 0.447 185 N N -0.006 118.679 118.700 -0.024 0.000 2.678 185 N HA -0.204 4.536 4.740 -0.000 0.000 0.250 185 N C -0.488 175.021 175.510 -0.003 0.000 1.136 185 N CA 1.290 54.338 53.050 -0.004 0.000 0.757 185 N CB -0.727 37.763 38.487 0.005 0.000 1.135 185 N HN 0.501 nan 8.380 nan 0.000 0.565 186 D N -0.767 119.623 120.400 -0.017 0.000 3.118 186 D HA 0.135 4.775 4.640 -0.000 0.000 0.222 186 D C 1.120 177.409 176.300 -0.018 0.000 1.470 186 D CA 0.213 54.206 54.000 -0.012 0.000 1.347 186 D CB -0.361 40.432 40.800 -0.013 0.000 1.221 186 D HN -0.010 nan 8.370 nan 0.000 0.326 187 K N 2.170 122.550 120.400 -0.035 0.000 2.574 187 K HA -0.033 4.287 4.320 -0.000 0.000 0.193 187 K C 1.600 178.155 176.600 -0.076 0.000 1.035 187 K CA 0.276 56.537 56.287 -0.043 0.000 0.982 187 K CB 0.043 32.514 32.500 -0.048 0.000 0.795 187 K HN 0.020 nan 8.250 nan 0.000 0.491 188 K N 1.921 122.265 120.400 -0.093 0.000 2.052 188 K HA -0.325 3.995 4.320 -0.000 0.000 0.215 188 K C 1.450 177.996 176.600 -0.090 0.000 1.053 188 K CA 2.419 58.601 56.287 -0.175 0.000 0.934 188 K CB -0.496 31.975 32.500 -0.049 0.000 0.717 188 K HN 0.170 nan 8.250 nan 0.000 0.450 189 D N 0.506 120.937 120.400 0.051 0.000 2.149 189 D HA -0.181 4.459 4.640 -0.000 0.000 0.194 189 D C 1.461 177.835 176.300 0.123 0.000 1.001 189 D CA 1.480 55.556 54.000 0.127 0.000 0.849 189 D CB 0.051 40.896 40.800 0.074 0.000 0.939 189 D HN 0.395 nan 8.370 nan 0.000 0.449 190 E N -1.253 118.974 120.200 0.045 0.000 2.489 190 E HA 0.104 4.454 4.350 -0.000 0.000 0.204 190 E C 1.859 178.471 176.600 0.020 0.000 1.006 190 E CA -0.132 56.298 56.400 0.050 0.000 0.936 190 E CB 0.242 29.960 29.700 0.030 0.000 1.002 190 E HN 0.471 nan 8.360 nan 0.000 0.488 191 M N -0.335 119.219 119.600 -0.077 0.000 2.492 191 M HA -0.038 4.442 4.480 -0.000 0.000 0.262 191 M C 1.169 177.415 176.300 -0.090 0.000 1.090 191 M CA 0.914 56.133 55.300 -0.135 0.000 1.110 191 M CB -0.045 32.401 32.600 -0.256 0.000 1.407 191 M HN 0.061 nan 8.290 nan 0.000 0.470 192 Y N -0.026 120.342 120.300 0.114 0.000 2.397 192 Y HA 0.102 4.652 4.550 -0.000 0.000 0.292 192 Y C 2.474 178.564 175.900 0.317 0.000 1.115 192 Y CA 0.478 58.721 58.100 0.237 0.000 1.208 192 Y CB -0.334 38.294 38.460 0.280 0.000 1.046 192 Y HN 0.071 nan 8.280 nan 0.000 0.552 193 R N -0.590 120.106 120.500 0.327 0.000 2.073 193 R HA -0.151 4.189 4.340 -0.000 0.000 0.234 193 R C 2.486 178.909 176.300 0.204 0.000 1.134 193 R CA 1.489 57.731 56.100 0.237 0.000 0.952 193 R CB -0.909 29.474 30.300 0.138 0.000 0.850 193 R HN 0.215 nan 8.270 nan 0.000 0.433 194 S N 0.935 116.720 115.700 0.140 0.000 2.406 194 S HA -0.019 4.451 4.470 -0.000 0.000 0.228 194 S C 1.951 176.606 174.600 0.093 0.000 1.020 194 S CA 0.445 58.702 58.200 0.095 0.000 0.965 194 S CB -0.082 63.148 63.200 0.051 0.000 0.798 194 S HN 0.276 nan 8.310 nan 0.000 0.488 195 L N -0.194 121.093 121.223 0.107 0.000 1.955 195 L HA -0.074 4.266 4.340 -0.000 0.000 0.213 195 L C 1.848 178.692 176.870 -0.042 0.000 1.072 195 L CA 1.960 56.802 54.840 0.003 0.000 0.755 195 L CB -0.423 41.624 42.059 -0.020 0.000 0.888 195 L HN 0.373 nan 8.230 nan 0.000 0.432 196 F N -0.312 119.716 119.950 0.129 0.000 2.502 196 F HA -0.150 4.376 4.527 -0.000 0.000 0.298 196 F C 2.644 178.502 175.800 0.097 0.000 1.111 196 F CA 1.004 59.076 58.000 0.119 0.000 1.445 196 F CB -0.359 38.709 39.000 0.114 0.000 1.081 196 F HN 0.285 nan 8.300 nan 0.000 0.558 197 Q N 0.766 120.702 119.800 0.226 0.000 2.050 197 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 197 Q C 1.509 177.570 176.000 0.102 0.000 0.980 197 Q CA 2.090 57.980 55.803 0.145 0.000 0.840 197 Q CB -0.074 28.729 28.738 0.108 0.000 0.898 197 Q HN 0.313 nan 8.270 nan 0.000 0.424 198 D N 0.202 120.647 120.400 0.074 0.000 2.097 198 D HA -0.143 4.497 4.640 -0.000 0.000 0.195 198 D C 1.975 178.300 176.300 0.041 0.000 0.989 198 D CA 0.864 54.889 54.000 0.043 0.000 0.827 198 D CB -0.124 40.689 40.800 0.022 0.000 0.966 198 D HN 0.208 nan 8.370 nan 0.000 0.456 199 L N 1.229 122.482 121.223 0.049 0.000 1.982 199 L HA -0.067 4.273 4.340 -0.000 0.000 0.206 199 L C 2.328 179.258 176.870 0.099 0.000 1.078 199 L CA 1.329 56.204 54.840 0.058 0.000 0.749 199 L CB -0.928 41.162 42.059 0.052 0.000 0.894 199 L HN -0.100 nan 8.230 nan 0.000 0.436 200 E N -0.023 120.300 120.200 0.205 0.000 2.164 200 E HA -0.273 4.077 4.350 -0.000 0.000 0.206 200 E C 2.068 178.728 176.600 0.100 0.000 1.032 200 E CA 2.176 58.702 56.400 0.211 0.000 0.832 200 E CB -0.417 29.450 29.700 0.278 0.000 0.742 200 E HN 0.477 nan 8.360 nan 0.000 0.460 201 L N -0.544 120.728 121.223 0.082 0.000 2.249 201 L HA 0.119 4.459 4.340 -0.000 0.000 0.207 201 L C 1.984 178.859 176.870 0.009 0.000 1.090 201 L CA 1.493 56.361 54.840 0.046 0.000 0.802 201 L CB -0.393 41.697 42.059 0.052 0.000 0.947 201 L HN -0.192 nan 8.230 nan 0.000 0.453 202 K N 1.232 121.635 120.400 0.005 0.000 2.616 202 K HA -0.054 4.266 4.320 -0.000 0.000 0.192 202 K C -0.169 176.397 176.600 -0.057 0.000 1.031 202 K CA 0.060 56.335 56.287 -0.021 0.000 1.004 202 K CB -0.135 32.354 32.500 -0.017 0.000 0.810 202 K HN 0.371 nan 8.250 nan 0.000 0.497 203 K N 0.971 121.328 120.400 -0.071 0.000 3.078 203 K HA -0.218 4.102 4.320 -0.000 0.000 0.261 203 K C -0.612 175.880 176.600 -0.180 0.000 0.947 203 K CA 1.047 57.247 56.287 -0.145 0.000 0.702 203 K CB -1.514 30.891 32.500 -0.158 0.000 1.318 203 K HN 0.466 nan 8.250 nan 0.000 0.473 204 E N 1.069 121.183 120.200 -0.143 0.000 2.046 204 E HA 0.136 4.486 4.350 -0.000 0.000 0.279 204 E C 0.410 176.875 176.600 -0.226 0.000 0.989 204 E CA -0.464 55.837 56.400 -0.165 0.000 0.798 204 E CB 0.561 30.208 29.700 -0.088 0.000 1.086 204 E HN 0.198 nan 8.360 nan 0.000 0.399 205 R N 3.459 123.723 120.500 -0.394 0.000 2.508 205 R HA 0.231 4.571 4.340 -0.000 0.000 0.300 205 R C -0.087 175.941 176.300 -0.453 0.000 0.970 205 R CA -0.276 55.435 56.100 -0.648 0.000 1.102 205 R CB 0.729 30.438 30.300 -0.985 0.000 1.246 205 R HN 0.248 nan 8.270 nan 0.000 0.539 206 R N 1.264 121.470 120.500 -0.490 0.000 2.207 206 R HA 0.381 4.721 4.340 -0.000 0.000 0.334 206 R C -0.924 175.148 176.300 -0.380 0.000 1.013 206 R CA -0.264 55.357 56.100 -0.799 0.000 0.858 206 R CB 1.864 31.146 30.300 -1.696 0.000 1.094 206 R HN -0.167 nan 8.270 nan 0.000 0.457 207 V N 5.534 125.402 119.914 -0.076 0.000 2.623 207 V HA 0.408 4.528 4.120 -0.000 0.000 0.304 207 V C -0.222 176.113 176.094 0.402 0.000 1.054 207 V CA -0.737 61.702 62.300 0.231 0.000 0.882 207 V CB 2.187 34.188 31.823 0.296 0.000 1.002 207 V HN 0.651 nan 8.190 nan 0.000 0.424 208 I N 5.364 126.176 120.570 0.404 0.000 2.336 208 I HA 0.434 4.604 4.170 -0.000 0.000 0.292 208 I C -0.617 175.620 176.117 0.201 0.000 0.991 208 I CA -0.444 61.057 61.300 0.335 0.000 1.227 208 I CB 1.494 39.729 38.000 0.393 0.000 1.366 208 I HN 0.363 nan 8.210 nan 0.000 0.466 209 L N 6.094 127.434 121.223 0.195 0.000 2.277 209 L HA 0.347 4.687 4.340 -0.000 0.000 0.284 209 L C -0.437 176.475 176.870 0.070 0.000 1.028 209 L CA -0.210 54.698 54.840 0.114 0.000 0.835 209 L CB 0.849 43.000 42.059 0.153 0.000 1.215 209 L HN 0.529 nan 8.230 nan 0.000 0.425 210 D N 3.792 124.167 120.400 -0.042 0.000 2.517 210 D HA 0.384 5.024 4.640 -0.000 0.000 0.301 210 D C -0.643 175.678 176.300 0.034 0.000 1.202 210 D CA -0.216 53.782 54.000 -0.003 0.000 0.910 210 D CB 0.507 41.259 40.800 -0.081 0.000 1.021 210 D HN 0.562 nan 8.370 nan 0.000 0.499 211 C N -0.358 118.980 119.300 0.063 0.000 3.311 211 C HA 0.644 5.104 4.460 -0.000 0.000 0.366 211 C C 0.104 175.145 174.990 0.085 0.000 1.694 211 C CA -1.072 57.984 59.018 0.063 0.000 1.244 211 C CB 0.679 28.444 27.740 0.041 0.000 2.038 211 C HN 0.301 nan 8.230 nan 0.000 0.436 212 E N 0.383 120.629 120.200 0.077 0.000 2.373 212 E HA 0.221 4.571 4.350 -0.000 0.000 0.267 212 E C 0.742 177.392 176.600 0.084 0.000 1.032 212 E CA -0.120 56.332 56.400 0.087 0.000 0.889 212 E CB 0.822 30.566 29.700 0.074 0.000 0.984 212 E HN 0.450 nan 8.360 nan 0.000 0.425 213 R N 1.775 122.332 120.500 0.096 0.000 2.159 213 R HA -0.241 4.099 4.340 -0.000 0.000 0.252 213 R C 1.411 177.745 176.300 0.056 0.000 1.144 213 R CA 2.040 58.191 56.100 0.085 0.000 0.961 213 R CB -0.180 30.175 30.300 0.093 0.000 0.877 213 R HN 0.528 nan 8.270 nan 0.000 0.444 214 D N 0.094 120.525 120.400 0.051 0.000 2.117 214 D HA -0.127 4.513 4.640 -0.000 0.000 0.197 214 D C 1.526 177.847 176.300 0.035 0.000 0.987 214 D CA 1.208 55.229 54.000 0.035 0.000 0.829 214 D CB -0.087 40.735 40.800 0.038 0.000 0.961 214 D HN 0.201 nan 8.370 nan 0.000 0.460 215 K N 0.137 120.568 120.400 0.052 0.000 2.362 215 K HA -0.033 4.287 4.320 -0.000 0.000 0.200 215 K C 1.922 178.548 176.600 0.044 0.000 1.046 215 K CA 0.071 56.399 56.287 0.068 0.000 0.952 215 K CB 0.258 32.806 32.500 0.079 0.000 0.753 215 K HN -0.004 nan 8.250 nan 0.000 0.466 216 V N 1.830 121.761 119.914 0.029 0.000 2.270 216 V HA -0.272 3.848 4.120 -0.000 0.000 0.245 216 V C 1.623 177.680 176.094 -0.062 0.000 1.043 216 V CA 1.786 64.089 62.300 0.005 0.000 1.014 216 V CB -0.496 31.346 31.823 0.032 0.000 0.645 216 V HN 0.364 nan 8.190 nan 0.000 0.447 217 N N 0.782 119.439 118.700 -0.071 0.000 2.104 217 N HA -0.180 4.560 4.740 -0.000 0.000 0.190 217 N C 1.457 176.889 175.510 -0.130 0.000 1.024 217 N CA 1.776 54.750 53.050 -0.127 0.000 0.853 217 N CB -0.700 37.729 38.487 -0.096 0.000 1.008 217 N HN 0.476 nan 8.380 nan 0.000 0.424 218 D N 0.421 120.775 120.400 -0.077 0.000 2.178 218 D HA -0.050 4.590 4.640 -0.000 0.000 0.201 218 D C 1.974 178.118 176.300 -0.260 0.000 0.980 218 D CA 0.557 54.504 54.000 -0.088 0.000 0.842 218 D CB -0.126 40.708 40.800 0.056 0.000 0.948 218 D HN 0.368 nan 8.370 nan 0.000 0.472 219 I N -0.181 120.272 120.570 -0.194 0.000 2.494 219 I HA -0.131 4.039 4.170 -0.000 0.000 0.250 219 I C 2.202 178.245 176.117 -0.123 0.000 1.112 219 I CA 0.293 61.478 61.300 -0.192 0.000 1.438 219 I CB 0.090 38.081 38.000 -0.015 0.000 1.111 219 I HN -0.139 nan 8.210 nan 0.000 0.431 220 V N 0.920 120.726 119.914 -0.179 0.000 2.407 220 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 220 V C 2.190 178.138 176.094 -0.244 0.000 1.055 220 V CA 2.206 64.359 62.300 -0.245 0.000 1.049 220 V CB -0.619 30.971 31.823 -0.388 0.000 0.662 220 V HN 0.445 nan 8.190 nan 0.000 0.455 221 D N -0.275 119.978 120.400 -0.244 0.000 2.218 221 D HA -0.211 4.429 4.640 -0.000 0.000 0.204 221 D C 2.128 178.277 176.300 -0.252 0.000 0.976 221 D CA 1.085 54.951 54.000 -0.223 0.000 0.853 221 D CB -0.038 40.653 40.800 -0.182 0.000 0.939 221 D HN 0.415 nan 8.370 nan 0.000 0.481 222 Q N -0.537 119.065 119.800 -0.329 0.000 2.369 222 Q HA 0.017 4.357 4.340 -0.000 0.000 0.206 222 Q C 1.765 177.374 176.000 -0.651 0.000 0.963 222 Q CA 0.666 56.189 55.803 -0.466 0.000 0.894 222 Q CB 0.112 28.512 28.738 -0.564 0.000 0.965 222 Q HN 0.205 nan 8.270 nan 0.000 0.475 223 V N 0.288 119.904 119.914 -0.496 0.000 2.379 223 V HA -0.134 3.986 4.120 -0.000 0.000 0.243 223 V C 2.116 178.055 176.094 -0.259 0.000 1.035 223 V CA 1.383 63.418 62.300 -0.442 0.000 1.035 223 V CB -0.556 31.084 31.823 -0.306 0.000 0.673 223 V HN 0.476 nan 8.190 nan 0.000 0.457 224 I N 0.455 120.910 120.570 -0.192 0.000 2.315 224 I HA -0.198 3.972 4.170 -0.000 0.000 0.248 224 I C 2.278 178.321 176.117 -0.125 0.000 1.117 224 I CA 1.840 63.067 61.300 -0.121 0.000 1.404 224 I CB -0.573 37.363 38.000 -0.107 0.000 1.071 224 I HN 0.344 nan 8.210 nan 0.000 0.419 225 T N 1.913 116.369 114.554 -0.163 0.000 2.580 225 T HA -0.209 4.141 4.350 -0.000 0.000 0.265 225 T C 1.390 176.016 174.700 -0.123 0.000 1.063 225 T CA 1.507 63.525 62.100 -0.137 0.000 1.170 225 T CB -0.377 68.400 68.868 -0.153 0.000 0.863 225 T HN 0.266 nan 8.240 nan 0.000 0.418 226 I N 2.423 122.892 120.570 -0.170 0.000 3.425 226 I HA 0.279 4.449 4.170 -0.000 0.000 0.298 226 I C 1.048 177.116 176.117 -0.082 0.000 1.278 226 I CA -0.921 60.304 61.300 -0.125 0.000 1.475 226 I CB -1.186 36.718 38.000 -0.160 0.000 1.283 226 I HN 0.149 nan 8.210 nan 0.000 0.540 227 G N 3.666 112.426 108.800 -0.067 0.000 2.578 227 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.287 227 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.287 227 G C -0.004 174.887 174.900 -0.015 0.000 0.568 227 G CA 0.217 45.295 45.100 -0.037 0.000 1.150 227 G HN 0.576 nan 8.290 nan 0.000 0.251 228 K N 1.814 122.236 120.400 0.035 0.000 2.619 228 K HA 0.233 4.553 4.320 -0.000 0.000 0.251 228 K C -0.104 176.614 176.600 0.196 0.000 0.987 228 K CA -1.051 55.265 56.287 0.050 0.000 0.844 228 K CB 1.467 34.041 32.500 0.122 0.000 1.237 228 K HN 0.624 nan 8.250 nan 0.000 0.447 229 H N -0.350 118.782 119.070 0.103 0.000 2.731 229 H HA -0.193 4.363 4.556 -0.000 0.000 0.305 229 H C 1.113 176.574 175.328 0.222 0.000 1.132 229 H CA 0.545 56.654 56.048 0.101 0.000 1.148 229 H CB -1.764 28.010 29.762 0.019 0.000 1.379 229 H HN 0.363 nan 8.280 nan 0.000 0.398 230 V N 0.240 120.318 119.914 0.273 0.000 2.370 230 V HA -0.362 3.758 4.120 -0.000 0.000 0.252 230 V C 2.361 178.647 176.094 0.319 0.000 1.068 230 V CA 2.451 64.921 62.300 0.284 0.000 1.061 230 V CB -0.408 31.492 31.823 0.129 0.000 0.656 230 V HN 0.722 nan 8.190 nan 0.000 0.455 231 K N 0.810 121.342 120.400 0.219 0.000 2.426 231 K HA 0.134 4.454 4.320 -0.000 0.000 0.193 231 K C 1.793 178.475 176.600 0.136 0.000 1.028 231 K CA 1.042 57.430 56.287 0.167 0.000 1.047 231 K CB -0.111 32.452 32.500 0.105 0.000 0.821 231 K HN 0.377 nan 8.250 nan 0.000 0.513 232 G N 0.294 109.180 108.800 0.145 0.000 2.985 232 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.209 232 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.209 232 G C -0.388 174.445 174.900 -0.111 0.000 1.165 232 G CA -0.248 44.853 45.100 0.003 0.000 0.776 232 G HN 0.155 nan 8.290 nan 0.000 0.541 233 Y N -0.136 120.123 120.300 -0.069 0.000 2.336 233 Y HA 0.400 4.950 4.550 0.000 0.000 0.331 233 Y C 0.411 176.179 175.900 -0.221 0.000 1.211 233 Y CA -0.267 57.699 58.100 -0.224 0.000 1.346 233 Y CB 0.832 39.072 38.460 -0.366 0.000 1.271 233 Y HN 0.179 nan 8.280 nan 0.000 0.538 234 H N 2.781 121.698 119.070 -0.255 0.000 2.727 234 H HA 0.367 4.922 4.556 -0.000 0.000 0.330 234 H C -1.709 173.561 175.328 -0.097 0.000 0.986 234 H CA -0.881 55.082 56.048 -0.141 0.000 1.251 234 H CB 0.613 30.354 29.762 -0.037 0.000 1.493 234 H HN 0.613 nan 8.280 nan 0.000 0.515 235 Y N 4.708 125.304 120.300 0.494 0.000 2.342 235 Y HA 0.344 4.894 4.550 0.000 0.000 0.334 235 Y C 0.047 176.120 175.900 0.289 0.000 1.067 235 Y CA -0.799 57.505 58.100 0.340 0.000 1.128 235 Y CB 1.258 39.851 38.460 0.222 0.000 1.200 235 Y HN 0.453 nan 8.280 nan 0.000 0.464 236 I N 4.764 125.553 120.570 0.365 0.000 2.362 236 I HA 0.269 4.439 4.170 -0.000 0.000 0.289 236 I C -0.909 175.361 176.117 0.256 0.000 0.994 236 I CA -0.729 60.682 61.300 0.184 0.000 1.158 236 I CB 1.116 39.110 38.000 -0.010 0.000 1.315 236 I HN 0.385 nan 8.210 nan 0.000 0.451 237 I N 5.897 126.625 120.570 0.264 0.000 2.301 237 I HA 0.220 4.390 4.170 -0.000 0.000 0.292 237 I C 0.883 177.217 176.117 0.361 0.000 1.046 237 I CA -0.343 61.137 61.300 0.300 0.000 1.282 237 I CB 0.953 39.161 38.000 0.346 0.000 1.409 237 I HN 0.576 nan 8.210 nan 0.000 0.484 238 A N 6.832 129.830 122.820 0.296 0.000 3.091 238 A HA 0.410 4.730 4.320 -0.000 0.000 0.264 238 A C 0.300 177.977 177.584 0.156 0.000 1.673 238 A CA -0.269 51.922 52.037 0.256 0.000 1.362 238 A CB -1.047 18.062 19.000 0.180 0.000 1.137 238 A HN 0.843 nan 8.150 nan 0.000 0.617 239 N N -1.302 117.519 118.700 0.202 0.000 2.934 239 N HA 0.379 5.119 4.740 -0.000 0.000 0.253 239 N C -0.522 174.976 175.510 -0.020 0.000 1.466 239 N CA -0.910 52.175 53.050 0.057 0.000 0.858 239 N CB 0.495 39.056 38.487 0.124 0.000 1.459 239 N HN -0.042 nan 8.380 nan 0.000 0.532 240 L N -0.894 120.084 121.223 -0.409 0.000 2.629 240 L HA 0.453 4.793 4.340 -0.000 0.000 0.230 240 L C 0.762 177.399 176.870 -0.388 0.000 1.151 240 L CA 0.073 54.621 54.840 -0.487 0.000 0.924 240 L CB 0.062 41.668 42.059 -0.755 0.000 1.137 240 L HN 0.876 nan 8.230 nan 0.000 0.457 241 G N -1.538 107.191 108.800 -0.118 0.000 4.956 241 G HA2 0.051 4.011 3.960 -0.000 0.000 0.290 241 G HA3 0.051 4.011 3.960 -0.000 0.000 0.290 241 G C 0.383 175.447 174.900 0.274 0.000 1.352 241 G CA -0.361 44.862 45.100 0.206 0.000 0.983 241 G HN 0.033 nan 8.290 nan 0.000 0.581 242 F N 2.068 122.088 119.950 0.117 0.000 2.087 242 F HA -0.177 4.351 4.527 0.000 0.000 0.299 242 F C 2.563 178.441 175.800 0.130 0.000 1.100 242 F CA 2.399 60.465 58.000 0.109 0.000 1.226 242 F CB 0.136 39.174 39.000 0.063 0.000 0.983 242 F HN 0.309 nan 8.300 nan 0.000 0.479 243 T N -2.423 112.240 114.554 0.182 0.000 3.206 243 T HA 0.143 4.493 4.350 -0.000 0.000 0.253 243 T C 0.078 174.846 174.700 0.114 0.000 1.042 243 T CA -0.402 61.745 62.100 0.077 0.000 0.931 243 T CB -0.715 68.266 68.868 0.190 0.000 1.029 243 T HN -0.052 nan 8.240 nan 0.000 0.564 244 D N 1.986 122.478 120.400 0.152 0.000 2.382 244 D HA 0.503 5.143 4.640 -0.000 0.000 0.245 244 D C 1.389 177.756 176.300 0.112 0.000 1.120 244 D CA 1.086 55.191 54.000 0.175 0.000 0.890 244 D CB 0.678 41.623 40.800 0.241 0.000 1.201 244 D HN 0.463 nan 8.370 nan 0.000 0.433 245 G N 2.989 111.856 108.800 0.111 0.000 2.591 245 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.278 245 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.278 245 G C 0.322 175.248 174.900 0.043 0.000 1.293 245 G CA 0.545 45.693 45.100 0.080 0.000 0.930 245 G HN 0.701 nan 8.290 nan 0.000 0.562 246 D N -0.160 120.257 120.400 0.028 0.000 2.352 246 D HA 0.311 4.951 4.640 -0.000 0.000 0.236 246 D C 1.953 178.247 176.300 -0.009 0.000 1.148 246 D CA 0.331 54.333 54.000 0.005 0.000 0.844 246 D CB 0.394 41.193 40.800 -0.002 0.000 0.933 246 D HN 0.499 nan 8.370 nan 0.000 0.507 247 L N -0.130 121.093 121.223 -0.001 0.000 2.051 247 L HA -0.109 4.231 4.340 -0.000 0.000 0.214 247 L C 1.384 178.252 176.870 -0.004 0.000 1.076 247 L CA 1.728 56.564 54.840 -0.007 0.000 0.758 247 L CB -0.100 41.955 42.059 -0.007 0.000 0.890 247 L HN 0.291 nan 8.230 nan 0.000 0.433 248 L N -0.599 120.608 121.223 -0.027 0.000 2.783 248 L HA 0.091 4.431 4.340 -0.000 0.000 0.236 248 L C 1.618 178.515 176.870 0.045 0.000 1.225 248 L CA 0.037 54.897 54.840 0.033 0.000 1.026 248 L CB -0.407 41.585 42.059 -0.113 0.000 1.314 248 L HN 0.234 nan 8.230 nan 0.000 0.489 249 K N 0.752 121.148 120.400 -0.007 0.000 2.367 249 K HA 0.206 4.526 4.320 -0.000 0.000 0.194 249 K C 0.874 177.423 176.600 -0.085 0.000 1.027 249 K CA -0.182 56.089 56.287 -0.026 0.000 1.075 249 K CB 0.532 33.014 32.500 -0.030 0.000 0.845 249 K HN 0.220 nan 8.250 nan 0.000 0.529 250 I N 2.157 122.618 120.570 -0.182 0.000 3.045 250 I HA -0.111 4.059 4.170 -0.000 0.000 0.288 250 I C 0.514 176.408 176.117 -0.371 0.000 1.238 250 I CA 0.085 61.149 61.300 -0.394 0.000 1.396 250 I CB 0.346 37.860 38.000 -0.810 0.000 1.355 250 I HN 0.100 nan 8.210 nan 0.000 0.601 251 Q N 3.851 123.449 119.800 -0.337 0.000 2.472 251 Q HA 0.170 4.510 4.340 -0.000 0.000 0.227 251 Q C -0.253 175.610 176.000 -0.229 0.000 1.156 251 Q CA 0.259 55.946 55.803 -0.194 0.000 0.924 251 Q CB -0.016 28.647 28.738 -0.125 0.000 1.354 251 Q HN 0.442 nan 8.270 nan 0.000 0.525 252 F N 1.337 121.281 119.950 -0.009 0.000 2.748 252 F HA 0.206 4.734 4.527 0.000 0.000 0.299 252 F C 1.841 177.683 175.800 0.069 0.000 1.154 252 F CA 0.744 58.763 58.000 0.031 0.000 1.446 252 F CB 0.087 39.129 39.000 0.068 0.000 1.112 252 F HN 0.787 nan 8.300 nan 0.000 0.584 253 G N 0.304 109.209 108.800 0.175 0.000 2.249 253 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.273 253 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.273 253 G C 1.255 176.240 174.900 0.143 0.000 1.036 253 G CA 0.274 45.447 45.100 0.123 0.000 0.824 253 G HN 1.177 nan 8.290 nan 0.000 0.504 254 G N -2.100 106.796 108.800 0.159 0.000 2.176 254 G HA2 0.178 4.138 3.960 -0.000 0.000 0.253 254 G HA3 0.178 4.138 3.960 -0.000 0.000 0.253 254 G C 0.989 175.962 174.900 0.121 0.000 0.979 254 G CA 1.116 46.286 45.100 0.118 0.000 0.641 254 G HN 2.311 nan 8.290 nan 0.000 0.530 255 A N -0.102 122.835 122.820 0.196 0.000 2.448 255 A HA 0.548 4.868 4.320 -0.000 0.000 0.239 255 A C 0.536 178.154 177.584 0.057 0.000 1.080 255 A CA 0.321 52.468 52.037 0.183 0.000 0.779 255 A CB 0.188 19.415 19.000 0.380 0.000 1.026 255 A HN 0.415 nan 8.150 nan 0.000 0.499 256 N N -0.601 118.058 118.700 -0.068 0.000 2.518 256 N HA 0.514 5.254 4.740 -0.000 0.000 0.283 256 N C -0.953 174.452 175.510 -0.174 0.000 1.119 256 N CA -0.130 52.757 53.050 -0.272 0.000 0.983 256 N CB 1.423 39.495 38.487 -0.691 0.000 1.139 256 N HN 0.320 nan 8.380 nan 0.000 0.465 257 V N 0.592 120.419 119.914 -0.145 0.000 2.686 257 V HA 0.534 4.654 4.120 -0.000 0.000 0.306 257 V C -0.380 175.787 176.094 0.122 0.000 1.065 257 V CA -0.690 61.619 62.300 0.015 0.000 0.894 257 V CB 1.812 33.453 31.823 -0.304 0.000 1.004 257 V HN 0.636 nan 8.190 nan 0.000 0.424 258 S N 1.662 117.456 115.700 0.157 0.000 2.632 258 S HA 1.014 5.484 4.470 -0.000 0.000 0.289 258 S C 0.167 174.527 174.600 -0.399 0.000 1.115 258 S CA -0.127 57.978 58.200 -0.159 0.000 0.889 258 S CB 2.280 65.513 63.200 0.056 0.000 1.116 258 S HN 1.341 nan 8.310 nan 0.000 0.486 259 G N 0.158 108.345 108.800 -1.022 0.000 2.494 259 G HA2 0.642 4.602 3.960 -0.000 0.000 0.308 259 G HA3 0.642 4.602 3.960 -0.000 0.000 0.308 259 G C -2.315 171.890 174.900 -1.158 0.000 1.263 259 G CA -0.612 43.935 45.100 -0.923 0.000 0.840 259 G HN 0.451 nan 8.290 nan 0.000 0.479 260 F N -0.466 119.400 119.950 -0.141 0.000 2.576 260 F HA 0.799 5.326 4.527 -0.000 0.000 0.313 260 F C -0.064 175.732 175.800 -0.006 0.000 1.078 260 F CA -0.735 57.208 58.000 -0.097 0.000 0.921 260 F CB 2.912 41.850 39.000 -0.103 0.000 1.232 260 F HN 0.494 nan 8.300 nan 0.000 0.459 261 Q N 2.187 122.086 119.800 0.165 0.000 2.268 261 Q HA 0.496 4.836 4.340 -0.000 0.000 0.266 261 Q C -0.435 175.609 176.000 0.073 0.000 1.006 261 Q CA -0.414 55.463 55.803 0.123 0.000 0.824 261 Q CB 1.842 30.667 28.738 0.144 0.000 1.306 261 Q HN 0.723 nan 8.270 nan 0.000 0.424 262 I N -0.011 120.576 120.570 0.028 0.000 3.854 262 I HA 0.386 4.556 4.170 -0.000 0.000 0.312 262 I C -0.281 175.814 176.117 -0.036 0.000 1.273 262 I CA -0.207 61.100 61.300 0.012 0.000 1.298 262 I CB 0.868 38.867 38.000 -0.003 0.000 1.071 262 I HN 0.205 nan 8.210 nan 0.000 0.428 263 V N 3.524 123.386 119.914 -0.086 0.000 2.333 263 V HA 0.267 4.387 4.120 -0.000 0.000 0.274 263 V C -0.690 175.177 176.094 -0.379 0.000 1.028 263 V CA -0.283 61.862 62.300 -0.259 0.000 0.851 263 V CB 0.982 32.587 31.823 -0.363 0.000 1.000 263 V HN 0.185 nan 8.190 nan 0.000 0.456 264 D N 3.867 124.098 120.400 -0.281 0.000 2.396 264 D HA 0.209 4.849 4.640 -0.000 0.000 0.225 264 D C 0.398 176.583 176.300 -0.191 0.000 1.121 264 D CA -0.294 53.600 54.000 -0.176 0.000 0.853 264 D CB 0.994 41.752 40.800 -0.070 0.000 1.043 264 D HN 0.501 nan 8.370 nan 0.000 0.500 265 Y N 1.407 121.736 120.300 0.049 0.000 2.616 265 Y HA -0.036 4.514 4.550 -0.000 0.000 0.296 265 Y C 1.598 177.525 175.900 0.045 0.000 1.154 265 Y CA 0.374 58.504 58.100 0.050 0.000 1.325 265 Y CB 0.261 38.757 38.460 0.060 0.000 1.007 265 Y HN 0.364 nan 8.280 nan 0.000 0.542 266 D N -0.709 119.775 120.400 0.139 0.000 2.348 266 D HA -0.024 4.616 4.640 -0.000 0.000 0.211 266 D C -0.134 176.199 176.300 0.056 0.000 0.998 266 D CA 0.472 54.529 54.000 0.094 0.000 0.873 266 D CB -0.067 40.778 40.800 0.076 0.000 0.925 266 D HN 0.216 nan 8.370 nan 0.000 0.524 267 D N -0.285 120.135 120.400 0.032 0.000 2.345 267 D HA -0.006 4.634 4.640 -0.000 0.000 0.247 267 D C 1.314 177.634 176.300 0.033 0.000 1.108 267 D CA 0.028 54.036 54.000 0.014 0.000 0.894 267 D CB 1.696 42.486 40.800 -0.017 0.000 1.203 267 D HN -0.220 nan 8.370 nan 0.000 0.430 268 S N 2.179 117.898 115.700 0.030 0.000 2.370 268 S HA -0.173 4.297 4.470 -0.000 0.000 0.226 268 S C 1.874 176.508 174.600 0.057 0.000 1.033 268 S CA 0.921 59.147 58.200 0.042 0.000 1.011 268 S CB -0.236 62.984 63.200 0.033 0.000 0.852 268 S HN 0.544 nan 8.310 nan 0.000 0.457 269 L N 1.008 122.262 121.223 0.051 0.000 2.046 269 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 269 L C 2.279 179.206 176.870 0.094 0.000 1.077 269 L CA 1.464 56.349 54.840 0.074 0.000 0.747 269 L CB -0.298 41.797 42.059 0.060 0.000 0.896 269 L HN 0.250 nan 8.230 nan 0.000 0.432 270 V N -1.216 118.732 119.914 0.056 0.000 2.358 270 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 270 V C 2.677 178.871 176.094 0.168 0.000 1.047 270 V CA 1.802 64.140 62.300 0.064 0.000 1.035 270 V CB -0.370 31.428 31.823 -0.041 0.000 0.658 270 V HN 0.550 nan 8.190 nan 0.000 0.452 271 S N -0.146 115.636 115.700 0.136 0.000 2.370 271 S HA -0.306 4.164 4.470 -0.000 0.000 0.226 271 S C 2.112 176.784 174.600 0.120 0.000 1.033 271 S CA 2.320 60.602 58.200 0.137 0.000 1.011 271 S CB -0.265 62.995 63.200 0.099 0.000 0.852 271 S HN 0.516 nan 8.310 nan 0.000 0.457 272 K N 0.573 121.040 120.400 0.112 0.000 2.057 272 K HA -0.052 4.268 4.320 -0.000 0.000 0.207 272 K C 1.761 178.422 176.600 0.102 0.000 1.049 272 K CA 1.727 58.069 56.287 0.092 0.000 0.931 272 K CB -0.933 31.622 32.500 0.091 0.000 0.714 272 K HN 0.471 nan 8.250 nan 0.000 0.440 273 F N 0.638 120.584 119.950 -0.006 0.000 2.095 273 F HA -0.169 4.357 4.527 -0.000 0.000 0.298 273 F C 1.635 177.432 175.800 -0.004 0.000 1.104 273 F CA 1.409 59.372 58.000 -0.061 0.000 1.232 273 F CB -0.133 38.758 39.000 -0.182 0.000 0.987 273 F HN -0.026 nan 8.300 nan 0.000 0.475 274 I N 0.828 121.448 120.570 0.083 0.000 2.394 274 I HA -0.227 3.943 4.170 -0.000 0.000 0.251 274 I C 2.218 178.330 176.117 -0.009 0.000 1.136 274 I CA 1.273 62.606 61.300 0.056 0.000 1.425 274 I CB -1.433 36.689 38.000 0.203 0.000 1.079 274 I HN 0.341 nan 8.210 nan 0.000 0.425 275 E N 0.268 120.463 120.200 -0.008 0.000 2.130 275 E HA -0.272 4.078 4.350 -0.000 0.000 0.196 275 E C 2.317 178.877 176.600 -0.067 0.000 0.998 275 E CA 1.291 57.678 56.400 -0.023 0.000 0.806 275 E CB -0.084 29.612 29.700 -0.007 0.000 0.738 275 E HN 0.423 nan 8.360 nan 0.000 0.459 276 R N 0.047 120.467 120.500 -0.133 0.000 2.075 276 R HA -0.070 4.270 4.340 -0.000 0.000 0.220 276 R C 2.235 178.420 176.300 -0.193 0.000 1.118 276 R CA 0.676 56.675 56.100 -0.169 0.000 0.986 276 R CB -0.257 29.916 30.300 -0.212 0.000 0.884 276 R HN 0.318 nan 8.270 nan 0.000 0.439 277 W N 2.052 123.023 121.300 -0.548 0.000 2.342 277 W HA -0.197 4.463 4.660 -0.000 0.000 0.297 277 W C 1.718 178.100 176.519 -0.229 0.000 1.213 277 W CA 1.994 59.036 57.345 -0.505 0.000 1.251 277 W CB -0.233 28.800 29.460 -0.712 0.000 1.136 277 W HN 0.233 nan 8.180 nan 0.000 0.526 278 S N -0.398 115.280 115.700 -0.036 0.000 2.507 278 S HA -0.177 4.293 4.470 -0.000 0.000 0.235 278 S C 1.478 176.019 174.600 -0.099 0.000 0.988 278 S CA 1.655 59.799 58.200 -0.093 0.000 0.944 278 S CB -0.859 62.309 63.200 -0.053 0.000 0.762 278 S HN 0.322 nan 8.310 nan 0.000 0.526 279 T N -0.983 113.539 114.554 -0.055 0.000 3.023 279 T HA 0.421 4.771 4.350 -0.000 0.000 0.253 279 T C 0.519 175.239 174.700 0.033 0.000 1.038 279 T CA -0.540 61.579 62.100 0.032 0.000 0.962 279 T CB -0.438 68.419 68.868 -0.018 0.000 1.018 279 T HN 0.297 nan 8.240 nan 0.000 0.521 280 L N 2.110 123.282 121.223 -0.085 0.000 2.467 280 L HA 0.265 4.605 4.340 -0.000 0.000 0.270 280 L C 0.558 177.362 176.870 -0.110 0.000 1.205 280 L CA -0.438 54.322 54.840 -0.134 0.000 0.828 280 L CB 0.370 42.217 42.059 -0.352 0.000 1.101 280 L HN 0.203 nan 8.230 nan 0.000 0.479 281 E N 2.022 122.188 120.200 -0.056 0.000 2.290 281 E HA 0.009 4.359 4.350 -0.000 0.000 0.277 281 E C 0.597 177.124 176.600 -0.122 0.000 1.035 281 E CA 0.052 56.366 56.400 -0.142 0.000 0.873 281 E CB 1.068 30.713 29.700 -0.092 0.000 1.029 281 E HN 0.514 nan 8.360 nan 0.000 0.419 282 E N 2.287 122.366 120.200 -0.202 0.000 2.110 282 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 282 E C 1.641 178.185 176.600 -0.093 0.000 0.988 282 E CA 0.739 57.065 56.400 -0.123 0.000 0.804 282 E CB 0.195 29.828 29.700 -0.112 0.000 0.745 282 E HN 0.225 nan 8.360 nan 0.000 0.458 283 K N 1.316 121.651 120.400 -0.109 0.000 2.057 283 K HA -0.213 4.107 4.320 -0.000 0.000 0.207 283 K C 1.934 178.455 176.600 -0.133 0.000 1.049 283 K CA 1.428 57.656 56.287 -0.100 0.000 0.931 283 K CB -0.018 32.425 32.500 -0.095 0.000 0.714 283 K HN 0.156 nan 8.250 nan 0.000 0.440 284 E N -1.300 118.790 120.200 -0.182 0.000 2.122 284 E HA -0.108 4.242 4.350 -0.000 0.000 0.190 284 E C -0.236 176.034 176.600 -0.549 0.000 0.977 284 E CA 0.570 56.748 56.400 -0.369 0.000 0.820 284 E CB 0.256 29.705 29.700 -0.419 0.000 0.770 284 E HN 0.177 nan 8.360 nan 0.000 0.462 285 Y N 0.817 121.038 120.300 -0.131 0.000 2.748 285 Y HA 0.356 4.907 4.550 0.001 0.000 0.359 285 Y C -2.401 173.407 175.900 -0.154 0.000 1.030 285 Y CA -3.067 54.940 58.100 -0.154 0.000 1.169 285 Y CB 1.010 39.318 38.460 -0.254 0.000 1.127 285 Y HN 0.019 nan 8.280 nan 0.000 0.644 286 P HA 0.062 nan 4.420 nan 0.000 0.264 286 P C 1.050 178.394 177.300 0.074 0.000 1.183 286 P CA 1.664 64.786 63.100 0.036 0.000 0.763 286 P CB 0.772 32.505 31.700 0.055 0.000 0.807 287 G N 1.175 110.011 108.800 0.061 0.000 2.217 287 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.246 287 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.246 287 G C 0.498 175.443 174.900 0.075 0.000 0.990 287 G CA 0.190 45.374 45.100 0.141 0.000 0.627 287 G HN 0.842 nan 8.290 nan 0.000 0.522 288 A N -1.516 121.125 122.820 -0.299 0.000 2.951 288 A HA 0.744 5.064 4.320 -0.000 0.000 0.239 288 A C 1.088 178.420 177.584 -0.420 0.000 1.623 288 A CA 0.921 52.379 52.037 -0.965 0.000 0.868 288 A CB 0.071 18.075 19.000 -1.661 0.000 1.712 288 A HN 1.656 nan 8.150 nan 0.000 0.558 289 H N -0.849 117.847 119.070 -0.623 0.000 2.826 289 H HA -0.150 4.406 4.556 0.000 0.000 0.306 289 H C -0.300 174.938 175.328 -0.150 0.000 1.235 289 H CA 0.873 56.745 56.048 -0.294 0.000 1.150 289 H CB -1.426 28.222 29.762 -0.191 0.000 1.409 289 H HN 1.099 nan 8.280 nan 0.000 0.420 290 T N -3.491 110.981 114.554 -0.136 0.000 2.841 290 T HA 0.388 4.738 4.350 -0.000 0.000 0.296 290 T C 1.180 175.955 174.700 0.124 0.000 1.166 290 T CA -0.195 61.910 62.100 0.008 0.000 1.007 290 T CB 1.772 70.728 68.868 0.147 0.000 1.253 290 T HN 0.153 nan 8.240 nan 0.000 0.511 291 T N -1.560 113.027 114.554 0.055 0.000 3.086 291 T HA 0.348 4.698 4.350 -0.000 0.000 0.250 291 T C 0.797 175.481 174.700 -0.027 0.000 1.074 291 T CA 0.412 62.530 62.100 0.029 0.000 0.988 291 T CB -0.728 68.103 68.868 -0.061 0.000 0.988 291 T HN 1.093 nan 8.240 nan 0.000 0.530 292 T N -0.629 113.968 114.554 0.072 0.000 2.887 292 T HA 0.763 5.113 4.350 -0.000 0.000 0.292 292 T C -1.051 173.817 174.700 0.279 0.000 1.087 292 T CA -1.043 61.092 62.100 0.058 0.000 1.009 292 T CB 2.187 71.032 68.868 -0.038 0.000 1.203 292 T HN 0.317 nan 8.240 nan 0.000 0.518 293 I N 0.213 120.960 120.570 0.296 0.000 2.656 293 I HA 0.453 4.623 4.170 -0.000 0.000 0.292 293 I C -0.820 175.395 176.117 0.164 0.000 1.144 293 I CA -1.056 60.322 61.300 0.130 0.000 1.038 293 I CB 2.041 39.883 38.000 -0.263 0.000 1.244 293 I HN 0.692 nan 8.210 nan 0.000 0.420 294 K N 5.630 126.124 120.400 0.156 0.000 2.414 294 K HA 0.028 4.348 4.320 -0.000 0.000 0.272 294 K C 0.460 177.122 176.600 0.104 0.000 0.993 294 K CA 0.147 56.527 56.287 0.155 0.000 0.964 294 K CB 0.615 33.183 32.500 0.113 0.000 0.925 294 K HN 0.641 nan 8.250 nan 0.000 0.487 295 Y N 0.481 120.844 120.300 0.104 0.000 2.274 295 Y HA -0.242 4.308 4.550 0.000 0.000 0.290 295 Y C 2.019 177.973 175.900 0.089 0.000 1.145 295 Y CA 1.647 59.787 58.100 0.067 0.000 1.203 295 Y CB -1.039 37.466 38.460 0.075 0.000 0.984 295 Y HN 0.688 nan 8.280 nan 0.000 0.533 296 T N -2.378 111.805 114.554 -0.619 0.000 2.821 296 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 296 T C 1.860 176.591 174.700 0.052 0.000 1.046 296 T CA 1.401 63.317 62.100 -0.308 0.000 1.139 296 T CB -0.885 67.835 68.868 -0.246 0.000 0.871 296 T HN 0.431 nan 8.240 nan 0.000 0.454 297 S N 2.064 117.804 115.700 0.067 0.000 2.368 297 S HA 0.177 4.647 4.470 -0.000 0.000 0.224 297 S C 2.667 177.298 174.600 0.051 0.000 1.029 297 S CA 0.791 59.077 58.200 0.143 0.000 0.988 297 S CB -0.807 62.470 63.200 0.128 0.000 0.838 297 S HN 0.749 nan 8.310 nan 0.000 0.462 298 A N 1.713 124.504 122.820 -0.049 0.000 1.908 298 A HA -0.019 4.301 4.320 -0.000 0.000 0.218 298 A C 2.094 179.688 177.584 0.018 0.000 1.181 298 A CA 1.185 53.147 52.037 -0.125 0.000 0.627 298 A CB -0.764 18.151 19.000 -0.143 0.000 0.818 298 A HN 0.458 nan 8.150 nan 0.000 0.445 299 L N -0.858 120.408 121.223 0.072 0.000 2.201 299 L HA -0.125 4.215 4.340 -0.000 0.000 0.212 299 L C 2.686 179.645 176.870 0.148 0.000 1.105 299 L CA 1.503 56.403 54.840 0.101 0.000 0.775 299 L CB -0.727 41.393 42.059 0.102 0.000 0.913 299 L HN 0.348 nan 8.230 nan 0.000 0.440 300 T N -1.259 113.421 114.554 0.211 0.000 2.737 300 T HA -0.237 4.113 4.350 -0.000 0.000 0.265 300 T C 1.697 176.475 174.700 0.129 0.000 1.038 300 T CA 1.316 63.564 62.100 0.247 0.000 1.144 300 T CB -0.346 68.789 68.868 0.445 0.000 0.866 300 T HN 0.300 nan 8.240 nan 0.000 0.434 301 Y N 2.408 122.728 120.300 0.034 0.000 2.128 301 Y HA -0.218 4.332 4.550 -0.000 0.000 0.284 301 Y C 2.043 177.947 175.900 0.006 0.000 1.154 301 Y CA 1.670 59.782 58.100 0.020 0.000 1.149 301 Y CB -0.436 37.975 38.460 -0.081 0.000 0.976 301 Y HN 0.133 nan 8.280 nan 0.000 0.505 302 D N 0.076 120.507 120.400 0.052 0.000 2.144 302 D HA -0.175 4.465 4.640 -0.000 0.000 0.199 302 D C 2.273 178.497 176.300 -0.126 0.000 0.984 302 D CA 1.394 55.348 54.000 -0.077 0.000 0.834 302 D CB -0.618 40.185 40.800 0.006 0.000 0.955 302 D HN 0.502 nan 8.370 nan 0.000 0.465 303 A N 0.453 123.252 122.820 -0.035 0.000 1.972 303 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 303 A C 2.466 179.979 177.584 -0.119 0.000 1.169 303 A CA 1.117 53.152 52.037 -0.003 0.000 0.635 303 A CB -0.595 18.502 19.000 0.161 0.000 0.810 303 A HN 0.165 nan 8.150 nan 0.000 0.446 304 V N -0.170 119.604 119.914 -0.233 0.000 2.427 304 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 304 V C 2.659 178.518 176.094 -0.392 0.000 1.051 304 V CA 2.158 64.295 62.300 -0.272 0.000 1.048 304 V CB -0.781 30.861 31.823 -0.302 0.000 0.666 304 V HN 0.764 nan 8.190 nan 0.000 0.456 305 Q N -0.117 119.237 119.800 -0.744 0.000 2.084 305 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 305 Q C 2.287 177.993 176.000 -0.491 0.000 0.978 305 Q CA 2.095 57.221 55.803 -1.128 0.000 0.844 305 Q CB -0.080 27.802 28.738 -1.427 0.000 0.898 305 Q HN 0.509 nan 8.270 nan 0.000 0.426 306 V N 0.880 120.626 119.914 -0.281 0.000 2.295 306 V HA -0.319 3.801 4.120 -0.000 0.000 0.246 306 V C 2.370 178.406 176.094 -0.098 0.000 1.049 306 V CA 2.016 64.247 62.300 -0.114 0.000 1.024 306 V CB -0.499 31.336 31.823 0.020 0.000 0.648 306 V HN 0.459 nan 8.190 nan 0.000 0.447 307 M N 0.313 119.877 119.600 -0.059 0.000 2.099 307 M HA -0.159 4.321 4.480 -0.000 0.000 0.262 307 M C 2.464 178.844 176.300 0.132 0.000 1.067 307 M CA 2.333 57.663 55.300 0.050 0.000 1.124 307 M CB -0.873 31.838 32.600 0.185 0.000 1.353 307 M HN 0.661 nan 8.290 nan 0.000 0.410 308 T N -1.577 113.007 114.554 0.050 0.000 2.746 308 T HA -0.205 4.145 4.350 -0.000 0.000 0.267 308 T C 1.550 176.270 174.700 0.034 0.000 1.039 308 T CA 1.751 63.901 62.100 0.083 0.000 1.142 308 T CB -0.451 68.427 68.868 0.017 0.000 0.866 308 T HN 0.352 nan 8.240 nan 0.000 0.444 309 E N 2.115 122.276 120.200 -0.066 0.000 2.077 309 E HA 0.018 4.368 4.350 -0.000 0.000 0.193 309 E C 2.329 178.879 176.600 -0.083 0.000 0.989 309 E CA 1.350 57.707 56.400 -0.073 0.000 0.800 309 E CB -0.873 28.766 29.700 -0.101 0.000 0.746 309 E HN 0.619 nan 8.360 nan 0.000 0.452 310 A N -0.192 122.546 122.820 -0.136 0.000 1.877 310 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 310 A C 2.038 179.458 177.584 -0.274 0.000 1.186 310 A CA 1.569 53.455 52.037 -0.251 0.000 0.620 310 A CB -0.977 17.780 19.000 -0.404 0.000 0.822 310 A HN 0.378 nan 8.150 nan 0.000 0.443 311 F N -0.382 119.532 119.950 -0.061 0.000 2.234 311 F HA -0.034 4.493 4.527 0.000 0.000 0.299 311 F C 2.391 178.102 175.800 -0.148 0.000 1.087 311 F CA 1.433 59.382 58.000 -0.084 0.000 1.340 311 F CB -0.352 38.624 39.000 -0.040 0.000 1.031 311 F HN 0.209 nan 8.300 nan 0.000 0.500 312 R N 0.545 121.052 120.500 0.011 0.000 2.096 312 R HA -0.152 4.188 4.340 -0.000 0.000 0.235 312 R C 1.920 178.163 176.300 -0.095 0.000 1.127 312 R CA 1.623 57.664 56.100 -0.097 0.000 0.968 312 R CB -0.243 30.020 30.300 -0.062 0.000 0.861 312 R HN 0.159 nan 8.270 nan 0.000 0.440 313 N N 0.752 119.405 118.700 -0.079 0.000 2.188 313 N HA -0.122 4.618 4.740 -0.000 0.000 0.184 313 N C 1.825 177.286 175.510 -0.082 0.000 1.018 313 N CA 1.018 54.020 53.050 -0.079 0.000 0.858 313 N CB -0.161 38.277 38.487 -0.082 0.000 0.989 313 N HN 0.258 nan 8.380 nan 0.000 0.426 314 L N 0.830 122.000 121.223 -0.089 0.000 2.046 314 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 314 L C 2.453 179.283 176.870 -0.067 0.000 1.077 314 L CA 1.116 55.911 54.840 -0.075 0.000 0.747 314 L CB -0.218 41.805 42.059 -0.060 0.000 0.896 314 L HN 0.134 nan 8.230 nan 0.000 0.432 315 R N 0.101 120.546 120.500 -0.092 0.000 2.073 315 R HA -0.158 4.181 4.340 -0.000 0.000 0.234 315 R C 2.319 178.572 176.300 -0.078 0.000 1.134 315 R CA 1.255 57.285 56.100 -0.116 0.000 0.952 315 R CB -0.270 29.872 30.300 -0.264 0.000 0.850 315 R HN 0.325 nan 8.270 nan 0.000 0.433 316 K N 0.809 121.164 120.400 -0.076 0.000 2.103 316 K HA -0.205 4.115 4.320 -0.000 0.000 0.207 316 K C 1.958 178.538 176.600 -0.035 0.000 1.048 316 K CA 1.551 57.810 56.287 -0.047 0.000 0.930 316 K CB -0.028 32.446 32.500 -0.044 0.000 0.716 316 K HN 0.273 nan 8.250 nan 0.000 0.444 317 Q N 0.024 119.799 119.800 -0.042 0.000 2.444 317 Q HA 0.095 4.435 4.340 -0.000 0.000 0.206 317 Q C -0.398 175.585 176.000 -0.028 0.000 0.948 317 Q CA -0.061 55.721 55.803 -0.035 0.000 0.946 317 Q CB 0.527 29.238 28.738 -0.044 0.000 1.027 317 Q HN 0.101 nan 8.270 nan 0.000 0.513 318 R N -0.178 120.307 120.500 -0.026 0.000 3.651 318 R HA -0.184 4.156 4.340 -0.000 0.000 0.292 318 R C -0.882 175.408 176.300 -0.017 0.000 1.161 318 R CA 0.642 56.733 56.100 -0.015 0.000 0.787 318 R CB -2.772 27.525 30.300 -0.006 0.000 1.249 318 R HN 0.348 nan 8.270 nan 0.000 0.476 319 I N 1.720 122.273 120.570 -0.029 0.000 2.291 319 I HA 0.071 4.241 4.170 -0.000 0.000 0.292 319 I C 1.300 177.400 176.117 -0.027 0.000 1.064 319 I CA -0.054 61.226 61.300 -0.033 0.000 1.269 319 I CB 0.766 38.735 38.000 -0.052 0.000 1.418 319 I HN 0.013 nan 8.210 nan 0.000 0.485 320 E N 8.354 128.547 120.200 -0.012 0.000 2.344 320 E HA 0.276 4.626 4.350 -0.000 0.000 0.270 320 E C -0.711 175.885 176.600 -0.006 0.000 1.021 320 E CA -0.197 56.205 56.400 0.002 0.000 0.887 320 E CB 0.997 30.711 29.700 0.023 0.000 0.997 320 E HN 0.641 nan 8.360 nan 0.000 0.429 329 D N 0.621 121.152 120.400 0.217 0.000 2.392 329 D HA 0.407 5.047 4.640 -0.000 0.000 0.228 329 D C 1.373 177.851 176.300 0.296 0.000 1.074 329 D CA -0.454 53.678 54.000 0.220 0.000 0.838 329 D CB 1.003 41.872 40.800 0.114 0.000 1.067 329 D HN -0.068 nan 8.370 nan 0.000 0.511 330 c N 3.387 122.160 118.600 0.288 0.000 2.398 330 c HA -0.106 4.464 4.570 -0.000 0.000 0.276 330 c C 2.108 176.250 174.090 0.088 0.000 1.222 330 c CA 0.693 57.120 56.329 0.163 0.000 1.746 330 c CB -0.761 41.877 42.510 0.214 0.000 2.039 330 c HN 0.683 nan 8.230 nan 0.000 0.470 331 L N 0.761 122.040 121.223 0.093 0.000 2.653 331 L HA 0.268 4.608 4.340 -0.000 0.000 0.231 331 L C 1.124 178.011 176.870 0.029 0.000 1.153 331 L CA -0.302 54.566 54.840 0.047 0.000 0.933 331 L CB -0.771 41.320 42.059 0.054 0.000 1.175 331 L HN 0.232 nan 8.230 nan 0.000 0.473 332 A N 1.084 123.933 122.820 0.047 0.000 2.540 332 A HA 0.107 4.427 4.320 -0.000 0.000 0.239 332 A C 0.127 177.717 177.584 0.011 0.000 1.061 332 A CA 0.257 52.318 52.037 0.040 0.000 0.758 332 A CB -0.016 19.025 19.000 0.069 0.000 0.991 332 A HN 0.335 nan 8.150 nan 0.000 0.502 333 N N 2.405 121.109 118.700 0.007 0.000 2.399 333 N HA 0.562 5.302 4.740 -0.000 0.000 0.280 333 N C -2.674 172.836 175.510 0.000 0.000 1.008 333 N CA -1.209 51.838 53.050 -0.005 0.000 0.894 333 N CB 1.190 39.671 38.487 -0.009 0.000 1.273 333 N HN 0.492 nan 8.380 nan 0.000 0.486 334 P HA 0.359 nan 4.420 nan 0.000 0.274 334 P C -0.824 176.467 177.300 -0.016 0.000 1.237 334 P CA -0.635 62.456 63.100 -0.014 0.000 0.793 334 P CB 0.398 32.091 31.700 -0.012 0.000 0.977 335 A N 1.066 123.862 122.820 -0.039 0.000 2.546 335 A HA 0.241 4.561 4.320 -0.000 0.000 0.243 335 A C 0.004 177.572 177.584 -0.028 0.000 1.063 335 A CA -0.150 51.856 52.037 -0.051 0.000 0.757 335 A CB -0.328 18.610 19.000 -0.105 0.000 0.991 335 A HN 0.373 nan 8.150 nan 0.000 0.503 336 V N 6.684 126.607 119.914 0.016 0.000 2.257 336 V HA 0.228 4.348 4.120 -0.000 0.000 0.269 336 V C -2.092 174.048 176.094 0.078 0.000 1.040 336 V CA -1.199 61.130 62.300 0.048 0.000 0.813 336 V CB 0.551 32.428 31.823 0.090 0.000 1.065 336 V HN 0.814 nan 8.190 nan 0.000 0.457 337 P HA 0.007 nan 4.420 nan 0.000 0.269 337 P C -0.506 176.848 177.300 0.091 0.000 1.215 337 P CA -0.344 62.663 63.100 -0.155 0.000 0.780 337 P CB 0.470 31.754 31.700 -0.694 0.000 0.898 338 W N 3.233 124.540 121.300 0.012 0.000 2.446 338 W HA 0.296 4.957 4.660 0.001 0.000 0.316 338 W C 1.206 177.781 176.519 0.093 0.000 1.376 338 W CA -0.083 57.324 57.345 0.104 0.000 1.300 338 W CB -0.238 29.341 29.460 0.199 0.000 1.351 338 W HN 0.620 nan 8.180 nan 0.000 0.530 339 G N 3.522 112.451 108.800 0.215 0.000 2.442 339 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.219 339 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.219 339 G C 1.046 175.837 174.900 -0.182 0.000 1.141 339 G CA 0.774 45.891 45.100 0.028 0.000 0.763 339 G HN 0.650 nan 8.290 nan 0.000 0.554 340 Q N 0.215 119.655 119.800 -0.600 0.000 2.403 340 Q HA 0.162 4.502 4.340 -0.000 0.000 0.203 340 Q C 2.586 178.071 176.000 -0.858 0.000 0.932 340 Q CA 0.200 55.586 55.803 -0.694 0.000 0.945 340 Q CB 0.232 28.577 28.738 -0.654 0.000 1.045 340 Q HN 0.435 nan 8.270 nan 0.000 0.511 341 G N 0.628 108.954 108.800 -0.790 0.000 2.469 341 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.219 341 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.219 341 G C 1.422 176.375 174.900 0.090 0.000 1.150 341 G CA 0.826 45.766 45.100 -0.265 0.000 0.763 341 G HN 0.248 nan 8.290 nan 0.000 0.561 342 V N 0.610 120.596 119.914 0.119 0.000 2.490 342 V HA -0.156 3.964 4.120 -0.000 0.000 0.250 342 V C 2.635 178.681 176.094 -0.080 0.000 1.061 342 V CA 2.113 64.448 62.300 0.059 0.000 1.064 342 V CB -0.407 31.443 31.823 0.046 0.000 0.670 342 V HN 0.488 nan 8.190 nan 0.000 0.461 343 E N -0.111 120.012 120.200 -0.128 0.000 2.106 343 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 343 E C 2.177 178.677 176.600 -0.167 0.000 0.984 343 E CA 1.311 57.623 56.400 -0.147 0.000 0.806 343 E CB -0.136 29.470 29.700 -0.158 0.000 0.750 343 E HN 0.557 nan 8.360 nan 0.000 0.458 344 I N 1.078 121.540 120.570 -0.181 0.000 2.286 344 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 344 I C 2.654 178.678 176.117 -0.155 0.000 1.104 344 I CA 0.959 62.149 61.300 -0.183 0.000 1.397 344 I CB -0.160 37.787 38.000 -0.088 0.000 1.072 344 I HN 0.132 nan 8.210 nan 0.000 0.417 345 E N 1.503 121.651 120.200 -0.086 0.000 2.058 345 E HA -0.312 4.038 4.350 -0.000 0.000 0.194 345 E C 2.398 178.871 176.600 -0.212 0.000 0.997 345 E CA 1.437 57.743 56.400 -0.157 0.000 0.801 345 E CB -0.068 29.420 29.700 -0.354 0.000 0.746 345 E HN 0.325 nan 8.360 nan 0.000 0.450 346 R N 0.111 120.494 120.500 -0.195 0.000 2.073 346 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 346 R C 2.291 178.500 176.300 -0.152 0.000 1.134 346 R CA 1.396 57.396 56.100 -0.167 0.000 0.952 346 R CB -0.361 29.855 30.300 -0.140 0.000 0.850 346 R HN 0.208 nan 8.270 nan 0.000 0.433 347 A N 1.169 123.887 122.820 -0.171 0.000 1.902 347 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 347 A C 2.225 179.700 177.584 -0.181 0.000 1.181 347 A CA 1.263 53.194 52.037 -0.177 0.000 0.623 347 A CB -0.524 18.339 19.000 -0.229 0.000 0.818 347 A HN 0.358 nan 8.150 nan 0.000 0.443 348 L N -0.819 120.272 121.223 -0.220 0.000 2.017 348 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 348 L C 2.441 179.194 176.870 -0.196 0.000 1.073 348 L CA 1.767 56.471 54.840 -0.226 0.000 0.745 348 L CB -0.346 41.560 42.059 -0.256 0.000 0.894 348 L HN 0.311 nan 8.230 nan 0.000 0.432 349 K N -0.470 119.817 120.400 -0.187 0.000 2.439 349 K HA -0.112 4.208 4.320 -0.000 0.000 0.197 349 K C 1.826 178.463 176.600 0.062 0.000 1.041 349 K CA 0.667 56.894 56.287 -0.100 0.000 0.970 349 K CB 0.046 32.474 32.500 -0.118 0.000 0.773 349 K HN 0.406 nan 8.250 nan 0.000 0.479 350 Q N 0.413 120.214 119.800 0.002 0.000 2.392 350 Q HA 0.068 4.408 4.340 -0.000 0.000 0.203 350 Q C -0.161 175.858 176.000 0.031 0.000 0.917 350 Q CA -0.108 55.702 55.803 0.011 0.000 0.939 350 Q CB 0.679 29.396 28.738 -0.035 0.000 1.063 350 Q HN 0.002 nan 8.270 nan 0.000 0.516 351 V N 2.337 122.290 119.914 0.066 0.000 2.585 351 V HA -0.061 4.059 4.120 -0.000 0.000 0.296 351 V C 0.035 176.163 176.094 0.057 0.000 1.035 351 V CA 0.763 63.095 62.300 0.054 0.000 1.084 351 V CB 0.823 32.687 31.823 0.067 0.000 0.953 351 V HN 0.263 nan 8.190 nan 0.000 0.483 352 Q N 4.094 123.891 119.800 -0.004 0.000 2.303 352 Q HA 0.662 5.002 4.340 -0.000 0.000 0.267 352 Q C -1.052 174.921 176.000 -0.045 0.000 1.011 352 Q CA -0.454 55.327 55.803 -0.035 0.000 0.740 352 Q CB 2.354 31.072 28.738 -0.034 0.000 1.250 352 Q HN 0.720 nan 8.270 nan 0.000 0.458 353 V N -1.445 118.432 119.914 -0.061 0.000 3.188 353 V HA 0.582 4.702 4.120 -0.000 0.000 0.305 353 V C -0.932 175.128 176.094 -0.057 0.000 1.232 353 V CA -1.147 61.120 62.300 -0.056 0.000 1.043 353 V CB 2.565 34.342 31.823 -0.077 0.000 1.068 353 V HN 0.490 nan 8.190 nan 0.000 0.439 354 E N 1.010 121.190 120.200 -0.033 0.000 2.266 354 E HA 0.737 5.087 4.350 -0.000 0.000 0.277 354 E C 0.074 176.670 176.600 -0.006 0.000 1.018 354 E CA 0.207 56.593 56.400 -0.022 0.000 0.840 354 E CB 1.930 31.626 29.700 -0.006 0.000 1.082 354 E HN 1.177 nan 8.360 nan 0.000 0.395 355 G N 0.687 109.482 108.800 -0.009 0.000 2.975 355 G HA2 0.334 4.294 3.960 -0.000 0.000 0.291 355 G HA3 0.334 4.294 3.960 -0.000 0.000 0.291 355 G C 0.609 175.507 174.900 -0.002 0.000 1.334 355 G CA -0.693 44.419 45.100 0.020 0.000 0.843 355 G HN 0.430 nan 8.290 nan 0.000 0.548 356 L N 0.462 121.674 121.223 -0.018 0.000 2.131 356 L HA -0.035 4.305 4.340 -0.000 0.000 0.210 356 L C 2.519 179.321 176.870 -0.113 0.000 1.092 356 L CA 1.775 56.533 54.840 -0.137 0.000 0.759 356 L CB -0.214 41.660 42.059 -0.308 0.000 0.903 356 L HN 0.530 nan 8.230 nan 0.000 0.435 357 S N -0.861 114.802 115.700 -0.061 0.000 2.679 357 S HA 0.436 4.906 4.470 -0.000 0.000 0.233 357 S C 0.909 175.490 174.600 -0.031 0.000 0.951 357 S CA -0.027 58.148 58.200 -0.041 0.000 0.973 357 S CB -0.002 63.189 63.200 -0.014 0.000 0.778 357 S HN 0.578 nan 8.310 nan 0.000 0.477 358 G N 2.159 110.936 108.800 -0.039 0.000 2.499 358 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.232 358 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.232 358 G C -0.452 174.427 174.900 -0.035 0.000 1.251 358 G CA -0.291 44.790 45.100 -0.031 0.000 0.917 358 G HN 0.712 nan 8.290 nan 0.000 0.580 359 N N 0.474 119.155 118.700 -0.032 0.000 2.475 359 N HA 0.454 5.194 4.740 -0.000 0.000 0.267 359 N C -0.009 175.455 175.510 -0.077 0.000 1.169 359 N CA 0.087 53.106 53.050 -0.051 0.000 0.947 359 N CB 0.069 38.526 38.487 -0.050 0.000 1.061 359 N HN 0.564 nan 8.380 nan 0.000 0.466 360 I N 2.933 123.426 120.570 -0.128 0.000 2.362 360 I HA 0.343 4.513 4.170 -0.000 0.000 0.289 360 I C 0.077 175.995 176.117 -0.331 0.000 0.994 360 I CA -0.564 60.584 61.300 -0.254 0.000 1.158 360 I CB 1.188 39.060 38.000 -0.213 0.000 1.315 360 I HN 0.451 nan 8.210 nan 0.000 0.451 361 K N 6.018 126.113 120.400 -0.507 0.000 2.546 361 K HA 0.606 4.926 4.320 -0.000 0.000 0.264 361 K C -1.968 174.301 176.600 -0.552 0.000 0.937 361 K CA -0.554 55.503 56.287 -0.385 0.000 0.833 361 K CB 1.919 34.322 32.500 -0.162 0.000 1.378 361 K HN 0.282 nan 8.250 nan 0.000 0.432 362 F N 1.708 121.662 119.950 0.007 0.000 2.546 362 F HA 0.272 4.799 4.527 0.000 0.000 0.320 362 F C 0.399 176.199 175.800 -0.000 0.000 1.076 362 F CA -0.603 57.405 58.000 0.012 0.000 0.928 362 F CB 1.435 40.432 39.000 -0.005 0.000 1.189 362 F HN 0.621 nan 8.300 nan 0.000 0.465 363 D N 0.146 120.665 120.400 0.200 0.000 2.478 363 D HA 0.063 4.703 4.640 -0.000 0.000 0.269 363 D C 0.693 177.029 176.300 0.059 0.000 1.232 363 D CA -0.400 53.658 54.000 0.096 0.000 1.059 363 D CB 0.415 41.254 40.800 0.066 0.000 1.104 363 D HN 0.585 nan 8.370 nan 0.000 0.566 364 Q N -1.005 118.794 119.800 -0.002 0.000 2.437 364 Q HA -0.130 4.210 4.340 -0.000 0.000 0.210 364 Q C 0.448 176.392 176.000 -0.094 0.000 0.972 364 Q CA 0.665 56.436 55.803 -0.053 0.000 0.903 364 Q CB -0.078 28.620 28.738 -0.066 0.000 0.967 364 Q HN 0.447 nan 8.270 nan 0.000 0.486 365 N N -0.750 117.901 118.700 -0.082 0.000 2.268 365 N HA 0.069 4.809 4.740 -0.000 0.000 0.204 365 N C 0.242 175.693 175.510 -0.099 0.000 1.124 365 N CA 0.779 53.727 53.050 -0.171 0.000 0.838 365 N CB 0.389 38.736 38.487 -0.235 0.000 0.994 365 N HN 0.313 nan 8.380 nan 0.000 0.489 366 G N 0.474 109.277 108.800 0.004 0.000 2.143 366 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.248 366 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.248 366 G C -0.359 174.700 174.900 0.265 0.000 0.991 366 G CA 0.117 45.250 45.100 0.054 0.000 0.689 366 G HN 0.191 nan 8.290 nan 0.000 0.522 367 K N 0.440 121.011 120.400 0.285 0.000 2.130 367 K HA 0.443 4.763 4.320 -0.000 0.000 0.268 367 K C 0.819 177.614 176.600 0.325 0.000 0.983 367 K CA -0.892 55.577 56.287 0.302 0.000 0.893 367 K CB 0.854 33.479 32.500 0.208 0.000 1.066 367 K HN 0.176 nan 8.250 nan 0.000 0.450 368 R N 2.559 123.197 120.500 0.229 0.000 2.522 368 R HA 0.177 4.517 4.340 -0.000 0.000 0.284 368 R C 0.661 177.111 176.300 0.251 0.000 1.032 368 R CA 0.109 56.241 56.100 0.053 0.000 1.049 368 R CB -0.402 29.830 30.300 -0.113 0.000 0.956 368 R HN 0.696 nan 8.270 nan 0.000 0.422 369 I N -1.477 119.196 120.570 0.172 0.000 3.042 369 I HA 0.347 4.517 4.170 -0.000 0.000 0.310 369 I C -0.236 175.914 176.117 0.055 0.000 1.117 369 I CA -1.195 60.200 61.300 0.159 0.000 1.003 369 I CB 1.962 39.994 38.000 0.054 0.000 1.228 369 I HN 0.563 nan 8.210 nan 0.000 0.443 370 N N 0.858 119.495 118.700 -0.105 0.000 2.721 370 N HA -0.264 4.476 4.740 -0.000 0.000 0.249 370 N C -0.977 174.476 175.510 -0.095 0.000 1.072 370 N CA 1.250 54.212 53.050 -0.145 0.000 0.710 370 N CB -1.470 36.961 38.487 -0.094 0.000 0.993 370 N HN 0.731 nan 8.380 nan 0.000 0.547 371 Y N -2.583 117.697 120.300 -0.034 0.000 2.545 371 Y HA 0.828 5.378 4.550 0.000 0.000 0.324 371 Y C 0.394 176.311 175.900 0.027 0.000 1.220 371 Y CA -0.884 57.205 58.100 -0.019 0.000 1.290 371 Y CB 1.038 39.497 38.460 -0.002 0.000 1.355 371 Y HN -0.140 nan 8.280 nan 0.000 0.516 372 T N 2.304 117.015 114.554 0.261 0.000 2.886 372 T HA 0.543 4.893 4.350 -0.000 0.000 0.292 372 T C -0.910 173.985 174.700 0.325 0.000 1.012 372 T CA -0.538 61.687 62.100 0.208 0.000 0.982 372 T CB 0.965 69.841 68.868 0.012 0.000 1.018 372 T HN 0.569 nan 8.240 nan 0.000 0.451 373 I N 3.382 124.194 120.570 0.404 0.000 2.378 373 I HA 0.344 4.514 4.170 -0.000 0.000 0.291 373 I C -0.184 176.106 176.117 0.288 0.000 0.992 373 I CA -1.015 60.476 61.300 0.318 0.000 1.154 373 I CB 1.431 39.619 38.000 0.313 0.000 1.315 373 I HN 0.447 nan 8.210 nan 0.000 0.448 374 N N 6.516 125.330 118.700 0.190 0.000 2.520 374 N HA 0.317 5.056 4.740 -0.000 0.000 0.273 374 N C -0.542 175.014 175.510 0.076 0.000 1.155 374 N CA -0.225 52.911 53.050 0.144 0.000 0.967 374 N CB 1.205 39.745 38.487 0.088 0.000 1.092 374 N HN 0.325 nan 8.380 nan 0.000 0.457 375 I N 3.204 123.770 120.570 -0.007 0.000 2.336 375 I HA 0.317 4.487 4.170 -0.000 0.000 0.292 375 I C 0.150 176.110 176.117 -0.261 0.000 0.991 375 I CA -0.292 60.886 61.300 -0.204 0.000 1.227 375 I CB 0.591 38.440 38.000 -0.251 0.000 1.366 375 I HN 0.236 nan 8.210 nan 0.000 0.466 376 M N 5.755 125.080 119.600 -0.458 0.000 2.456 376 M HA 0.517 4.997 4.480 -0.000 0.000 0.324 376 M C -0.334 175.625 176.300 -0.569 0.000 1.124 376 M CA -0.568 54.447 55.300 -0.475 0.000 0.959 376 M CB 2.187 34.416 32.600 -0.617 0.000 1.692 376 M HN 0.439 nan 8.290 nan 0.000 0.444 377 E N 1.379 121.429 120.200 -0.251 0.000 2.288 377 E HA 0.501 4.851 4.350 -0.000 0.000 0.268 377 E C -1.435 175.216 176.600 0.085 0.000 0.885 377 E CA -1.093 55.244 56.400 -0.106 0.000 0.767 377 E CB 3.220 32.918 29.700 -0.004 0.000 1.220 377 E HN 0.422 nan 8.360 nan 0.000 0.427 378 L N 3.548 124.880 121.223 0.181 0.000 2.325 378 L HA 0.219 4.559 4.340 -0.000 0.000 0.284 378 L C -0.645 176.274 176.870 0.081 0.000 1.089 378 L CA 0.514 55.466 54.840 0.187 0.000 0.836 378 L CB -0.303 41.843 42.059 0.146 0.000 1.184 378 L HN 0.406 nan 8.230 nan 0.000 0.444 379 K N 2.524 122.972 120.400 0.080 0.000 2.312 379 K HA 0.472 4.792 4.320 -0.000 0.000 0.236 379 K C 0.982 177.612 176.600 0.051 0.000 1.079 379 K CA -0.584 55.735 56.287 0.052 0.000 0.900 379 K CB 0.667 33.197 32.500 0.049 0.000 1.297 379 K HN 0.386 nan 8.250 nan 0.000 0.498 380 T N 1.313 115.892 114.554 0.041 0.000 2.653 380 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 380 T C 1.083 175.807 174.700 0.040 0.000 1.035 380 T CA 1.588 63.711 62.100 0.038 0.000 1.154 380 T CB -0.226 68.661 68.868 0.031 0.000 0.862 380 T HN 0.421 nan 8.240 nan 0.000 0.441 381 N N 1.056 119.781 118.700 0.042 0.000 2.276 381 N HA 0.347 5.087 4.740 -0.000 0.000 0.212 381 N C 0.779 176.318 175.510 0.048 0.000 1.127 381 N CA 0.492 53.567 53.050 0.041 0.000 0.834 381 N CB 0.930 39.439 38.487 0.036 0.000 1.014 381 N HN 0.574 nan 8.380 nan 0.000 0.491 382 G N 1.032 109.868 108.800 0.059 0.000 2.373 382 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.634 382 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.634 382 G C -3.174 171.789 174.900 0.105 0.000 1.267 382 G CA -1.146 43.998 45.100 0.072 0.000 1.008 382 G HN -0.067 nan 8.290 nan 0.000 0.497 383 P HA 0.423 nan 4.420 nan 0.000 0.267 383 P C -0.201 177.199 177.300 0.166 0.000 1.205 383 P CA 0.207 63.449 63.100 0.237 0.000 0.765 383 P CB 0.729 32.613 31.700 0.307 0.000 0.828 384 R N 2.323 122.901 120.500 0.131 0.000 2.628 384 R HA 0.353 4.693 4.340 -0.000 0.000 0.288 384 R C -0.586 175.739 176.300 0.041 0.000 0.980 384 R CA -1.005 55.143 56.100 0.081 0.000 0.891 384 R CB 1.291 31.628 30.300 0.061 0.000 1.188 384 R HN 0.243 nan 8.270 nan 0.000 0.450 385 K N 5.400 125.827 120.400 0.046 0.000 2.383 385 K HA 0.104 4.424 4.320 -0.000 0.000 0.286 385 K C 0.774 177.377 176.600 0.005 0.000 1.051 385 K CA -0.089 56.209 56.287 0.019 0.000 0.974 385 K CB 0.435 32.965 32.500 0.050 0.000 0.968 385 K HN 0.731 nan 8.250 nan 0.000 0.475 386 I N 0.583 121.129 120.570 -0.041 0.000 4.057 386 I HA 0.396 4.566 4.170 -0.000 0.000 0.334 386 I C 0.575 176.638 176.117 -0.089 0.000 1.308 386 I CA -0.273 60.998 61.300 -0.050 0.000 1.125 386 I CB 0.679 38.644 38.000 -0.059 0.000 1.034 386 I HN 0.693 nan 8.210 nan 0.000 0.401 387 G N 0.861 109.614 108.800 -0.078 0.000 2.325 387 G HA2 0.385 4.345 3.960 -0.000 0.000 0.295 387 G HA3 0.385 4.345 3.960 -0.000 0.000 0.295 387 G C -1.946 172.969 174.900 0.026 0.000 1.274 387 G CA -0.202 44.837 45.100 -0.103 0.000 0.857 387 G HN 0.377 nan 8.290 nan 0.000 0.499 388 Y N -3.082 117.184 120.300 -0.056 0.000 2.655 388 Y HA 0.822 5.372 4.550 -0.000 0.000 0.336 388 Y C -1.534 174.417 175.900 0.085 0.000 1.154 388 Y CA -2.211 55.903 58.100 0.022 0.000 1.055 388 Y CB 1.579 40.049 38.460 0.016 0.000 1.295 388 Y HN 0.871 nan 8.280 nan 0.000 0.465 389 W N 2.373 123.762 121.300 0.148 0.000 2.883 389 W HA 0.742 5.402 4.660 0.000 0.000 0.335 389 W C -1.364 175.205 176.519 0.083 0.000 1.083 389 W CA -0.565 56.809 57.345 0.048 0.000 1.233 389 W CB 2.262 31.744 29.460 0.036 0.000 1.412 389 W HN 0.883 nan 8.180 nan 0.000 0.490 390 S N 2.178 117.518 115.700 -0.600 0.000 2.632 390 S HA 0.391 4.861 4.470 -0.000 0.000 0.289 390 S C 0.322 173.988 174.600 -1.556 0.000 1.115 390 S CA -0.745 56.997 58.200 -0.763 0.000 0.889 390 S CB 2.105 65.071 63.200 -0.390 0.000 1.116 390 S HN 0.678 nan 8.310 nan 0.000 0.486 391 E N 0.561 120.118 120.200 -1.072 0.000 2.085 391 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 391 E C 2.058 178.329 176.600 -0.549 0.000 0.994 391 E CA 1.567 57.519 56.400 -0.746 0.000 0.801 391 E CB -0.722 28.803 29.700 -0.291 0.000 0.743 391 E HN 0.613 nan 8.360 nan 0.000 0.453 392 V N 0.105 119.756 119.914 -0.439 0.000 2.358 392 V HA -0.167 3.953 4.120 -0.000 0.000 0.246 392 V C 1.263 177.178 176.094 -0.299 0.000 1.047 392 V CA 1.993 64.119 62.300 -0.290 0.000 1.035 392 V CB -0.274 31.420 31.823 -0.215 0.000 0.658 392 V HN 0.004 nan 8.190 nan 0.000 0.452 393 D N -1.483 118.689 120.400 -0.381 0.000 2.407 393 D HA 0.184 4.824 4.640 -0.000 0.000 0.208 393 D C 0.955 177.017 176.300 -0.397 0.000 1.083 393 D CA 0.050 53.864 54.000 -0.310 0.000 0.844 393 D CB 0.338 41.005 40.800 -0.222 0.000 0.967 393 D HN 0.360 nan 8.370 nan 0.000 0.506 394 K N -0.084 119.905 120.400 -0.685 0.000 1.939 394 K HA -0.279 4.041 4.320 -0.000 0.000 0.165 394 K C 0.460 176.729 176.600 -0.553 0.000 1.508 394 K CA 0.729 56.549 56.287 -0.778 0.000 0.525 394 K CB -1.567 30.810 32.500 -0.204 0.000 0.615 394 K HN 0.272 nan 8.250 nan 0.000 0.888 395 M N 1.799 121.305 119.600 -0.156 0.000 2.146 395 M HA 0.316 4.796 4.480 -0.000 0.000 0.357 395 M C -0.904 175.216 176.300 -0.300 0.000 1.261 395 M CA -0.402 54.816 55.300 -0.137 0.000 1.106 395 M CB 0.920 33.481 32.600 -0.066 0.000 1.612 395 M HN 0.233 nan 8.290 nan 0.000 0.470 396 V N 6.057 125.662 119.914 -0.514 0.000 2.444 396 V HA 0.395 4.515 4.120 -0.000 0.000 0.294 396 V C -0.482 175.298 176.094 -0.524 0.000 1.022 396 V CA -0.899 61.051 62.300 -0.584 0.000 0.850 396 V CB 1.668 32.928 31.823 -0.939 0.000 0.992 396 V HN 0.667 nan 8.190 nan 0.000 0.426 397 V N 4.259 123.993 119.914 -0.300 0.000 2.498 397 V HA 0.275 4.395 4.120 -0.000 0.000 0.279 397 V C 0.890 176.915 176.094 -0.116 0.000 1.048 397 V CA 0.009 62.188 62.300 -0.202 0.000 0.967 397 V CB 1.387 33.163 31.823 -0.079 0.000 0.988 397 V HN 0.972 nan 8.190 nan 0.000 0.473 398 T N 0.000 114.514 114.554 -0.066 0.000 3.816 398 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 398 T CA 0.000 62.105 62.100 0.008 0.000 1.349 398 T CB 0.000 68.893 68.868 0.042 0.000 0.612 398 T HN 0.000 nan 8.240 nan 0.000 0.658