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 1tfz_1_A DATA FIRST_RESID 15 DATA SEQUENCE NPKSDKFKVK RFHHIEFWCG DATNVARRFS WGLGMRFSAK SDLSTGNMVH DATA SEQUENCE ASYLLTSGDL RFLFTAPYSP SLSAGEIKPT TTASIPSFDH GSCRSFFSSH DATA SEQUENCE GLGVRAVAIE VEDAESAFSI SVANGAIPSS PPIVLNEAVT IAEVKLYGDV DATA SEQUENCE VLRYVSYKXX XXXXXEFLPG FERVEDASSF PLDYGIRRLD HAVGNVPELG DATA SEQUENCE PALTYVAGFT GFHQFAXXXX XXXXXXXSGL NSAVLASNDE MVLLPINEPV DATA SEQUENCE HGXXXKSQIQ TYLEHNEGAG LQHLALMSED IFRTLREMRK RSSIGGFDFM DATA SEQUENCE PSPPPTYYQN LKKRVGDVLS DDQIKECEEL GILVDRDDQG TLLQIFTKPL DATA SEQUENCE GDRPTIFIEI IQRVGcMXXX XXXXXXQSGG cGGFGKGNFS ELFK 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 15 N HA 0.000 nan 4.740 nan 0.000 0.220 15 N C 0.000 175.280 175.510 -0.383 0.000 1.280 15 N CA 0.000 52.786 53.050 -0.440 0.000 0.885 15 N CB 0.000 38.192 38.487 -0.491 0.000 1.341 16 P HA 0.143 nan 4.420 nan 0.000 0.229 16 P C -0.840 176.356 177.300 -0.174 0.000 1.160 16 P CA 0.906 63.877 63.100 -0.214 0.000 0.777 16 P CB 0.114 31.728 31.700 -0.144 0.000 0.814 17 K N 0.550 120.807 120.400 -0.238 0.000 3.393 17 K HA -0.072 4.247 4.320 -0.001 0.000 0.272 17 K C 0.300 176.881 176.600 -0.032 0.000 1.004 17 K CA 0.475 56.705 56.287 -0.094 0.000 0.764 17 K CB -2.313 30.140 32.500 -0.078 0.000 1.373 17 K HN 0.394 nan 8.250 nan 0.000 0.458 18 S N -1.067 114.639 115.700 0.011 0.000 2.622 18 S HA 0.069 4.538 4.470 -0.001 0.000 0.236 18 S C 0.114 174.711 174.600 -0.006 0.000 0.956 18 S CA -0.737 57.466 58.200 0.005 0.000 0.971 18 S CB 0.243 63.449 63.200 0.009 0.000 0.782 18 S HN 0.227 nan 8.310 nan 0.000 0.468 19 D N 2.879 123.273 120.400 -0.010 0.000 2.493 19 D HA 0.110 4.750 4.640 -0.001 0.000 0.240 19 D C 0.828 177.020 176.300 -0.180 0.000 1.142 19 D CA 0.281 54.218 54.000 -0.105 0.000 0.872 19 D CB 0.747 41.479 40.800 -0.113 0.000 1.173 19 D HN 0.307 nan 8.370 nan 0.000 0.467 20 K N 1.429 121.649 120.400 -0.299 0.000 2.432 20 K HA 0.057 4.377 4.320 -0.001 0.000 0.196 20 K C 0.081 176.685 176.600 0.006 0.000 1.038 20 K CA 0.525 56.745 56.287 -0.112 0.000 0.986 20 K CB -0.008 32.498 32.500 0.010 0.000 0.782 20 K HN 0.460 nan 8.250 nan 0.000 0.485 21 F N -1.731 118.200 119.950 -0.031 0.000 2.668 21 F HA 0.406 4.932 4.527 -0.001 0.000 0.309 21 F C -0.808 174.980 175.800 -0.020 0.000 1.117 21 F CA -2.008 55.960 58.000 -0.052 0.000 0.951 21 F CB 0.752 39.676 39.000 -0.126 0.000 1.323 21 F HN -0.473 nan 8.300 nan 0.000 0.451 22 K N 1.962 122.449 120.400 0.145 0.000 2.336 22 K HA 0.446 4.765 4.320 -0.001 0.000 0.290 22 K C -1.322 175.353 176.600 0.125 0.000 1.067 22 K CA 0.005 56.341 56.287 0.082 0.000 0.962 22 K CB -0.009 32.532 32.500 0.068 0.000 1.008 22 K HN 0.636 nan 8.250 nan 0.000 0.467 23 V N 6.187 126.143 119.914 0.070 0.000 2.481 23 V HA 0.214 4.334 4.120 -0.001 0.000 0.286 23 V C 0.879 176.999 176.094 0.043 0.000 1.042 23 V CA -0.405 61.953 62.300 0.096 0.000 0.928 23 V CB 1.495 33.364 31.823 0.077 0.000 0.986 23 V HN 0.819 nan 8.190 nan 0.000 0.462 24 K N 3.679 124.118 120.400 0.065 0.000 2.161 24 K HA 0.359 4.679 4.320 -0.001 0.000 0.205 24 K C 0.414 177.025 176.600 0.019 0.000 1.035 24 K CA 0.272 56.588 56.287 0.048 0.000 0.970 24 K CB 0.355 32.906 32.500 0.084 0.000 0.866 24 K HN 0.790 nan 8.250 nan 0.000 0.461 25 R N -0.840 119.681 120.500 0.036 0.000 2.829 25 R HA 0.173 4.512 4.340 -0.001 0.000 0.284 25 R C -1.323 175.020 176.300 0.072 0.000 1.006 25 R CA -0.885 55.215 56.100 -0.001 0.000 0.844 25 R CB -0.015 30.326 30.300 0.067 0.000 1.309 25 R HN -0.164 nan 8.270 nan 0.000 0.494 26 F N 1.441 121.458 119.950 0.111 0.000 2.607 26 F HA 0.025 4.551 4.527 -0.001 0.000 0.374 26 F C 1.918 177.824 175.800 0.177 0.000 1.104 26 F CA 0.742 58.818 58.000 0.127 0.000 1.296 26 F CB 0.522 39.578 39.000 0.092 0.000 1.085 26 F HN 0.547 nan 8.300 nan 0.000 0.584 27 H N 2.975 122.234 119.070 0.316 0.000 2.430 27 H HA 0.103 4.659 4.556 -0.001 0.000 0.297 27 H C -0.068 175.497 175.328 0.395 0.000 1.016 27 H CA 0.995 57.225 56.048 0.304 0.000 1.294 27 H CB 0.683 30.609 29.762 0.273 0.000 1.465 27 H HN 0.752 nan 8.280 nan 0.000 0.547 28 H N -1.626 117.648 119.070 0.340 0.000 2.935 28 H HA 0.249 4.805 4.556 -0.001 0.000 0.297 28 H C -1.733 173.704 175.328 0.182 0.000 1.423 28 H CA -0.852 55.348 56.048 0.254 0.000 1.161 28 H CB 0.706 30.676 29.762 0.347 0.000 1.841 28 H HN -0.041 nan 8.280 nan 0.000 0.506 29 I N 1.542 122.290 120.570 0.297 0.000 2.498 29 I HA 0.260 4.430 4.170 -0.001 0.000 0.290 29 I C -0.028 176.059 176.117 -0.051 0.000 1.032 29 I CA -0.281 61.012 61.300 -0.011 0.000 1.073 29 I CB 1.702 39.600 38.000 -0.170 0.000 1.251 29 I HN 0.701 nan 8.210 nan 0.000 0.426 30 E N 5.876 125.977 120.200 -0.165 0.000 2.145 30 E HA 0.464 4.814 4.350 -0.001 0.000 0.270 30 E C -1.646 174.726 176.600 -0.381 0.000 0.906 30 E CA -0.476 55.826 56.400 -0.163 0.000 0.761 30 E CB 1.208 30.901 29.700 -0.012 0.000 1.116 30 E HN 0.265 nan 8.360 nan 0.000 0.408 31 F N 3.427 123.182 119.950 -0.326 0.000 2.408 31 F HA 0.319 4.845 4.527 -0.001 0.000 0.344 31 F C -0.250 175.643 175.800 0.155 0.000 1.112 31 F CA -0.523 57.371 58.000 -0.177 0.000 1.096 31 F CB 0.738 39.531 39.000 -0.345 0.000 1.129 31 F HN 0.429 nan 8.300 nan 0.000 0.486 32 W N 4.269 125.654 121.300 0.142 0.000 2.335 32 W HA 0.519 5.179 4.660 -0.000 0.000 0.307 32 W C -0.622 176.168 176.519 0.452 0.000 1.117 32 W CA -1.292 56.161 57.345 0.180 0.000 1.228 32 W CB 1.019 30.441 29.460 -0.063 0.000 1.240 32 W HN 0.408 nan 8.180 nan 0.000 0.468 33 C N 0.738 120.303 119.300 0.442 0.000 2.822 33 C HA 0.756 5.216 4.460 -0.001 0.000 0.341 33 C C 1.608 176.386 174.990 -0.352 0.000 1.301 33 C CA -0.281 58.896 59.018 0.264 0.000 1.706 33 C CB 1.329 29.219 27.740 0.249 0.000 2.178 33 C HN 0.792 nan 8.230 nan 0.000 0.481 34 G N -0.522 107.811 108.800 -0.778 0.000 2.408 34 G HA2 0.120 4.079 3.960 -0.001 0.000 0.213 34 G HA3 0.120 4.079 3.960 -0.001 0.000 0.213 34 G C -0.261 174.480 174.900 -0.264 0.000 1.177 34 G CA 0.883 45.529 45.100 -0.757 0.000 0.802 34 G HN 0.816 nan 8.290 nan 0.000 0.533 35 D N -1.029 119.298 120.400 -0.122 0.000 2.469 35 D HA 0.604 5.244 4.640 -0.001 0.000 0.251 35 D C 1.130 177.444 176.300 0.023 0.000 1.173 35 D CA 0.010 53.989 54.000 -0.034 0.000 0.882 35 D CB 1.454 42.243 40.800 -0.018 0.000 1.129 35 D HN 0.068 nan 8.370 nan 0.000 0.549 36 A N 2.538 125.402 122.820 0.072 0.000 1.908 36 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 36 A C 2.032 179.676 177.584 0.101 0.000 1.181 36 A CA 1.899 54.045 52.037 0.182 0.000 0.627 36 A CB -0.776 18.393 19.000 0.281 0.000 0.818 36 A HN 0.623 nan 8.150 nan 0.000 0.445 37 T N 0.761 115.330 114.554 0.026 0.000 2.635 37 T HA -0.191 4.158 4.350 -0.001 0.000 0.267 37 T C 1.843 176.406 174.700 -0.229 0.000 1.040 37 T CA 1.591 63.549 62.100 -0.237 0.000 1.156 37 T CB -0.516 68.228 68.868 -0.206 0.000 0.863 37 T HN 0.565 nan 8.240 nan 0.000 0.430 38 N N 0.625 119.250 118.700 -0.126 0.000 2.188 38 N HA -0.062 4.678 4.740 -0.001 0.000 0.184 38 N C 2.019 177.470 175.510 -0.098 0.000 1.018 38 N CA 1.010 53.999 53.050 -0.102 0.000 0.858 38 N CB -0.229 38.230 38.487 -0.045 0.000 0.989 38 N HN 0.216 nan 8.380 nan 0.000 0.426 39 V N 1.802 121.660 119.914 -0.093 0.000 2.307 39 V HA -0.163 3.957 4.120 -0.001 0.000 0.245 39 V C 2.540 178.367 176.094 -0.444 0.000 1.045 39 V CA 1.761 63.991 62.300 -0.116 0.000 1.024 39 V CB -0.882 30.917 31.823 -0.040 0.000 0.651 39 V HN 0.252 nan 8.190 nan 0.000 0.449 40 A N 0.022 122.401 122.820 -0.735 0.000 1.908 40 A HA -0.231 4.089 4.320 -0.001 0.000 0.218 40 A C 2.386 179.667 177.584 -0.505 0.000 1.181 40 A CA 1.847 53.218 52.037 -1.110 0.000 0.627 40 A CB -0.506 18.059 19.000 -0.725 0.000 0.818 40 A HN 0.497 nan 8.150 nan 0.000 0.445 41 R N -1.328 118.968 120.500 -0.340 0.000 2.115 41 R HA -0.057 4.283 4.340 -0.001 0.000 0.230 41 R C 2.449 178.720 176.300 -0.049 0.000 1.111 41 R CA 1.005 56.982 56.100 -0.204 0.000 0.976 41 R CB -0.263 29.899 30.300 -0.230 0.000 0.870 41 R HN 0.391 nan 8.270 nan 0.000 0.445 42 R N 0.565 121.055 120.500 -0.017 0.000 2.062 42 R HA -0.084 4.255 4.340 -0.001 0.000 0.229 42 R C 1.871 178.251 176.300 0.133 0.000 1.128 42 R CA 1.491 57.619 56.100 0.048 0.000 0.960 42 R CB -0.367 29.953 30.300 0.034 0.000 0.855 42 R HN 0.114 nan 8.270 nan 0.000 0.432 43 F N 0.728 120.662 119.950 -0.027 0.000 2.186 43 F HA -0.114 4.412 4.527 -0.001 0.000 0.299 43 F C 2.884 178.804 175.800 0.201 0.000 1.090 43 F CA 1.563 59.701 58.000 0.229 0.000 1.307 43 F CB -0.808 38.287 39.000 0.158 0.000 1.019 43 F HN 0.076 nan 8.300 nan 0.000 0.489 44 S N -0.107 115.740 115.700 0.246 0.000 2.353 44 S HA -0.274 4.196 4.470 -0.001 0.000 0.222 44 S C 2.101 176.841 174.600 0.234 0.000 1.035 44 S CA 1.659 59.971 58.200 0.187 0.000 1.025 44 S CB -0.813 62.452 63.200 0.108 0.000 0.902 44 S HN 0.629 nan 8.310 nan 0.000 0.440 45 W N 1.538 122.863 121.300 0.042 0.000 2.379 45 W HA -0.025 4.635 4.660 -0.001 0.000 0.307 45 W C 2.127 178.769 176.519 0.205 0.000 1.200 45 W CA 0.949 58.343 57.345 0.081 0.000 1.297 45 W CB -0.759 28.703 29.460 0.003 0.000 1.140 45 W HN 0.492 nan 8.180 nan 0.000 0.507 46 G N 0.900 109.775 108.800 0.126 0.000 2.422 46 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.218 46 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.218 46 G C 1.435 176.548 174.900 0.356 0.000 1.140 46 G CA 0.849 46.004 45.100 0.092 0.000 0.775 46 G HN 0.286 nan 8.290 nan 0.000 0.545 47 L N -0.382 121.011 121.223 0.283 0.000 2.590 47 L HA 0.336 4.676 4.340 -0.001 0.000 0.227 47 L C 1.691 178.379 176.870 -0.303 0.000 1.099 47 L CA 0.385 55.291 54.840 0.110 0.000 0.872 47 L CB 0.347 42.454 42.059 0.079 0.000 1.088 47 L HN 0.292 nan 8.230 nan 0.000 0.479 48 G N 1.249 109.626 108.800 -0.704 0.000 2.256 48 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.272 48 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.272 48 G C -0.071 174.520 174.900 -0.515 0.000 1.076 48 G CA -0.068 44.176 45.100 -1.427 0.000 0.882 48 G HN 0.203 nan 8.290 nan 0.000 0.497 49 M N -0.229 119.259 119.600 -0.185 0.000 2.268 49 M HA 0.409 4.888 4.480 -0.001 0.000 0.344 49 M C 0.665 177.003 176.300 0.064 0.000 1.106 49 M CA -0.780 54.493 55.300 -0.044 0.000 1.010 49 M CB 1.812 34.430 32.600 0.031 0.000 1.649 49 M HN 0.283 nan 8.290 nan 0.000 0.443 50 R N 2.344 122.888 120.500 0.075 0.000 2.490 50 R HA 0.236 4.576 4.340 -0.001 0.000 0.280 50 R C -1.061 175.374 176.300 0.224 0.000 1.077 50 R CA -0.185 56.001 56.100 0.144 0.000 1.065 50 R CB 0.670 31.024 30.300 0.089 0.000 1.003 50 R HN 0.735 nan 8.270 nan 0.000 0.470 51 F N 5.042 125.045 119.950 0.088 0.000 2.468 51 F HA 0.032 4.559 4.527 -0.001 0.000 0.356 51 F C 0.808 176.662 175.800 0.090 0.000 1.167 51 F CA -0.139 57.917 58.000 0.094 0.000 1.135 51 F CB 0.739 39.785 39.000 0.077 0.000 1.197 51 F HN 0.708 nan 8.300 nan 0.000 0.569 52 S N 4.257 119.960 115.700 0.005 0.000 2.497 52 S HA 0.572 5.041 4.470 -0.001 0.000 0.221 52 S C 0.378 174.876 174.600 -0.171 0.000 1.037 52 S CA 0.239 58.368 58.200 -0.118 0.000 0.920 52 S CB 0.435 63.618 63.200 -0.028 0.000 0.800 52 S HN 0.705 nan 8.310 nan 0.000 0.505 53 A N 1.099 123.866 122.820 -0.089 0.000 2.606 53 A HA 0.751 5.070 4.320 -0.001 0.000 0.293 53 A C -1.488 176.285 177.584 0.316 0.000 1.082 53 A CA -1.034 51.050 52.037 0.079 0.000 0.685 53 A CB 1.395 20.515 19.000 0.199 0.000 1.284 53 A HN 0.486 nan 8.150 nan 0.000 0.408 54 K N -0.752 119.847 120.400 0.330 0.000 2.532 54 K HA 0.800 5.119 4.320 -0.001 0.000 0.265 54 K C -1.274 175.221 176.600 -0.175 0.000 0.948 54 K CA -0.519 55.923 56.287 0.258 0.000 0.842 54 K CB 2.060 34.839 32.500 0.464 0.000 1.392 54 K HN 0.865 nan 8.250 nan 0.000 0.436 55 S N 1.226 116.589 115.700 -0.562 0.000 2.775 55 S HA 0.461 4.931 4.470 -0.001 0.000 0.277 55 S C -1.764 172.502 174.600 -0.557 0.000 1.156 55 S CA -0.370 57.378 58.200 -0.754 0.000 1.081 55 S CB 0.490 62.778 63.200 -1.520 0.000 1.054 55 S HN 0.854 nan 8.310 nan 0.000 0.482 56 D N 3.176 123.402 120.400 -0.290 0.000 3.376 56 D HA 0.202 4.842 4.640 -0.001 0.000 0.344 56 D C 1.044 177.353 176.300 0.015 0.000 1.428 56 D CA -0.744 53.199 54.000 -0.097 0.000 0.949 56 D CB -0.400 40.416 40.800 0.027 0.000 1.451 56 D HN 0.389 nan 8.370 nan 0.000 0.578 57 L N 0.263 121.540 121.223 0.090 0.000 2.079 57 L HA -0.147 4.193 4.340 -0.001 0.000 0.210 57 L C 2.373 179.220 176.870 -0.038 0.000 1.081 57 L CA 2.158 56.955 54.840 -0.071 0.000 0.752 57 L CB -0.681 41.262 42.059 -0.194 0.000 0.896 57 L HN 0.559 nan 8.230 nan 0.000 0.433 58 S N -1.568 114.137 115.700 0.010 0.000 2.474 58 S HA -0.115 4.355 4.470 -0.001 0.000 0.235 58 S C 1.648 176.247 174.600 -0.002 0.000 0.997 58 S CA 1.131 59.339 58.200 0.014 0.000 0.949 58 S CB -0.598 62.635 63.200 0.055 0.000 0.766 58 S HN 0.575 nan 8.310 nan 0.000 0.517 59 T N -3.658 110.881 114.554 -0.025 0.000 3.092 59 T HA 0.587 4.936 4.350 -0.001 0.000 0.258 59 T C 1.388 176.053 174.700 -0.058 0.000 1.031 59 T CA 0.361 62.435 62.100 -0.044 0.000 0.925 59 T CB 0.161 68.984 68.868 -0.076 0.000 1.036 59 T HN 1.086 nan 8.240 nan 0.000 0.544 60 G N 1.801 110.567 108.800 -0.056 0.000 2.175 60 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.244 60 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.244 60 G C -0.029 174.830 174.900 -0.068 0.000 0.982 60 G CA -0.170 44.897 45.100 -0.055 0.000 0.641 60 G HN 0.724 nan 8.290 nan 0.000 0.527 61 N N 0.957 119.598 118.700 -0.099 0.000 2.402 61 N HA 0.394 5.134 4.740 -0.001 0.000 0.252 61 N C 1.607 177.110 175.510 -0.011 0.000 1.118 61 N CA -0.477 52.497 53.050 -0.126 0.000 0.945 61 N CB 0.303 38.598 38.487 -0.321 0.000 1.147 61 N HN 0.113 nan 8.380 nan 0.000 0.495 62 M N 2.825 122.432 119.600 0.010 0.000 2.556 62 M HA 0.043 4.523 4.480 -0.001 0.000 0.245 62 M C 1.179 177.631 176.300 0.253 0.000 1.128 62 M CA 0.270 55.602 55.300 0.054 0.000 1.069 62 M CB -0.242 32.367 32.600 0.016 0.000 1.469 62 M HN 0.285 nan 8.290 nan 0.000 0.494 63 V N -0.587 119.453 119.914 0.210 0.000 2.521 63 V HA -0.034 4.085 4.120 -0.001 0.000 0.239 63 V C 0.582 176.712 176.094 0.060 0.000 1.053 63 V CA 1.065 63.511 62.300 0.244 0.000 1.073 63 V CB -0.342 31.585 31.823 0.172 0.000 0.746 63 V HN 0.580 nan 8.190 nan 0.000 0.476 64 H N -1.829 117.018 119.070 -0.371 0.000 2.980 64 H HA 0.815 5.370 4.556 -0.001 0.000 0.367 64 H C -0.772 174.051 175.328 -0.842 0.000 1.206 64 H CA -0.478 55.042 56.048 -0.880 0.000 1.126 64 H CB 1.741 30.637 29.762 -1.444 0.000 1.838 64 H HN 0.128 nan 8.280 nan 0.000 0.552 65 A N 1.805 124.084 122.820 -0.900 0.000 2.258 65 A HA 0.602 4.922 4.320 -0.001 0.000 0.316 65 A C -0.778 176.490 177.584 -0.527 0.000 1.279 65 A CA -0.609 51.019 52.037 -0.682 0.000 0.876 65 A CB 0.411 19.118 19.000 -0.489 0.000 1.170 65 A HN 0.624 nan 8.150 nan 0.000 0.520 66 S N 1.354 116.663 115.700 -0.651 0.000 2.561 66 S HA 0.653 5.122 4.470 -0.001 0.000 0.303 66 S C -1.545 172.761 174.600 -0.490 0.000 1.110 66 S CA -0.210 57.800 58.200 -0.316 0.000 1.034 66 S CB 0.645 63.904 63.200 0.098 0.000 1.010 66 S HN 0.511 nan 8.310 nan 0.000 0.482 67 Y N 1.771 122.277 120.300 0.343 0.000 2.361 67 Y HA 0.578 5.127 4.550 -0.001 0.000 0.337 67 Y C -0.418 175.753 175.900 0.453 0.000 0.965 67 Y CA -1.000 57.346 58.100 0.411 0.000 1.091 67 Y CB 1.143 39.725 38.460 0.203 0.000 1.182 67 Y HN 0.509 nan 8.280 nan 0.000 0.450 68 L N 4.877 126.419 121.223 0.532 0.000 2.275 68 L HA 0.616 4.956 4.340 -0.001 0.000 0.288 68 L C -1.269 175.808 176.870 0.345 0.000 1.046 68 L CA -0.293 54.686 54.840 0.231 0.000 0.805 68 L CB 0.516 42.457 42.059 -0.197 0.000 1.193 68 L HN 0.575 nan 8.230 nan 0.000 0.426 69 L N 4.320 125.747 121.223 0.341 0.000 2.346 69 L HA 0.719 5.059 4.340 -0.001 0.000 0.274 69 L C -0.234 176.726 176.870 0.150 0.000 1.007 69 L CA -0.634 54.393 54.840 0.312 0.000 0.818 69 L CB 2.102 44.414 42.059 0.422 0.000 1.284 69 L HN 0.693 nan 8.230 nan 0.000 0.424 70 T N -1.544 113.056 114.554 0.076 0.000 2.906 70 T HA 0.593 4.942 4.350 -0.001 0.000 0.295 70 T C -0.529 174.152 174.700 -0.032 0.000 1.061 70 T CA -0.850 61.247 62.100 -0.006 0.000 1.000 70 T CB 2.009 70.866 68.868 -0.018 0.000 1.103 70 T HN 0.423 nan 8.240 nan 0.000 0.486 71 S N 0.942 116.598 115.700 -0.073 0.000 2.446 71 S HA 0.591 5.060 4.470 -0.001 0.000 0.230 71 S C 0.677 175.234 174.600 -0.071 0.000 1.051 71 S CA 0.550 58.701 58.200 -0.082 0.000 1.113 71 S CB -0.243 62.878 63.200 -0.132 0.000 1.184 71 S HN 2.099 nan 8.310 nan 0.000 0.435 72 G N 4.493 113.267 108.800 -0.043 0.000 2.536 72 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.280 72 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.280 72 G C 0.178 175.060 174.900 -0.031 0.000 1.152 72 G CA 0.634 45.715 45.100 -0.032 0.000 0.970 72 G HN 0.612 nan 8.290 nan 0.000 0.549 73 D N 0.524 120.909 120.400 -0.025 0.000 2.350 73 D HA 0.182 4.822 4.640 -0.001 0.000 0.213 73 D C 1.115 177.403 176.300 -0.021 0.000 1.031 73 D CA 0.058 54.049 54.000 -0.014 0.000 0.861 73 D CB 0.305 41.112 40.800 0.012 0.000 0.926 73 D HN 0.265 nan 8.370 nan 0.000 0.520 74 L N 1.738 122.927 121.223 -0.057 0.000 2.410 74 L HA 0.170 4.509 4.340 -0.001 0.000 0.273 74 L C -0.114 176.700 176.870 -0.092 0.000 1.144 74 L CA 0.215 54.996 54.840 -0.099 0.000 0.863 74 L CB 0.328 42.254 42.059 -0.223 0.000 1.140 74 L HN -0.257 nan 8.230 nan 0.000 0.463 75 R N 5.998 126.500 120.500 0.003 0.000 2.476 75 R HA 0.434 4.774 4.340 -0.001 0.000 0.305 75 R C -1.377 175.116 176.300 0.321 0.000 0.965 75 R CA -0.405 55.730 56.100 0.059 0.000 0.867 75 R CB 1.457 31.765 30.300 0.014 0.000 1.176 75 R HN 0.564 nan 8.270 nan 0.000 0.447 76 F N 3.680 123.669 119.950 0.065 0.000 2.449 76 F HA 0.343 4.869 4.527 -0.001 0.000 0.342 76 F C -0.333 175.427 175.800 -0.067 0.000 1.127 76 F CA -1.308 56.721 58.000 0.048 0.000 0.975 76 F CB 1.804 40.933 39.000 0.216 0.000 1.146 76 F HN 0.170 nan 8.300 nan 0.000 0.444 77 L N 5.183 126.370 121.223 -0.060 0.000 2.307 77 L HA 0.568 4.908 4.340 -0.001 0.000 0.284 77 L C -1.557 175.173 176.870 -0.234 0.000 1.023 77 L CA -0.323 54.491 54.840 -0.043 0.000 0.810 77 L CB 0.907 42.966 42.059 -0.000 0.000 1.231 77 L HN 0.281 nan 8.230 nan 0.000 0.423 78 F N 3.011 123.087 119.950 0.211 0.000 2.427 78 F HA 0.604 5.131 4.527 -0.001 0.000 0.348 78 F C 0.209 176.114 175.800 0.175 0.000 1.125 78 F CA -0.473 57.638 58.000 0.185 0.000 0.989 78 F CB 1.966 41.020 39.000 0.090 0.000 1.165 78 F HN 0.347 nan 8.300 nan 0.000 0.442 79 T N 2.556 117.295 114.554 0.308 0.000 2.863 79 T HA 0.867 5.216 4.350 -0.001 0.000 0.285 79 T C -0.826 173.899 174.700 0.042 0.000 1.009 79 T CA -0.771 61.419 62.100 0.151 0.000 0.989 79 T CB 1.828 70.806 68.868 0.184 0.000 1.004 79 T HN 0.700 nan 8.240 nan 0.000 0.455 80 A N 3.849 126.582 122.820 -0.144 0.000 2.515 80 A HA 0.904 5.224 4.320 -0.001 0.000 0.298 80 A C -3.010 174.389 177.584 -0.308 0.000 1.059 80 A CA -1.917 50.013 52.037 -0.179 0.000 0.698 80 A CB 1.620 20.546 19.000 -0.124 0.000 1.289 80 A HN 0.535 nan 8.150 nan 0.000 0.404 81 P HA 0.365 nan 4.420 nan 0.000 0.290 81 P C -0.971 176.369 177.300 0.066 0.000 1.276 81 P CA 0.082 63.227 63.100 0.076 0.000 0.808 81 P CB 0.581 32.545 31.700 0.439 0.000 0.966 82 Y N 0.233 120.670 120.300 0.229 0.000 2.286 82 Y HA 0.148 4.698 4.550 -0.001 0.000 0.347 82 Y C 1.881 177.821 175.900 0.066 0.000 1.351 82 Y CA -0.558 57.613 58.100 0.119 0.000 1.640 82 Y CB 0.469 38.980 38.460 0.085 0.000 1.560 82 Y HN 0.288 nan 8.280 nan 0.000 0.574 83 S N 1.352 117.165 115.700 0.189 0.000 2.533 83 S HA 0.055 4.524 4.470 -0.001 0.000 0.282 83 S C -1.788 172.738 174.600 -0.124 0.000 1.304 83 S CA -1.271 56.930 58.200 0.001 0.000 1.063 83 S CB 0.544 63.742 63.200 -0.003 0.000 0.881 83 S HN 0.325 nan 8.310 nan 0.000 0.493 84 P HA -0.119 nan 4.420 nan 0.000 0.219 84 P C 1.677 178.894 177.300 -0.138 0.000 1.146 84 P CA 1.282 64.133 63.100 -0.415 0.000 0.808 84 P CB -0.082 31.417 31.700 -0.335 0.000 0.779 85 S N -0.581 115.066 115.700 -0.089 0.000 2.402 85 S HA -0.176 4.293 4.470 -0.001 0.000 0.233 85 S C 1.849 176.432 174.600 -0.028 0.000 1.030 85 S CA 1.203 59.375 58.200 -0.046 0.000 1.003 85 S CB -1.640 61.537 63.200 -0.039 0.000 0.813 85 S HN 0.119 nan 8.310 nan 0.000 0.477 86 L N 1.662 122.871 121.223 -0.023 0.000 2.141 86 L HA 0.017 4.356 4.340 -0.001 0.000 0.209 86 L C 2.174 179.051 176.870 0.013 0.000 1.094 86 L CA 1.349 56.178 54.840 -0.018 0.000 0.763 86 L CB -0.637 41.398 42.059 -0.040 0.000 0.908 86 L HN 0.568 nan 8.230 nan 0.000 0.437 87 S N -1.346 114.385 115.700 0.051 0.000 2.601 87 S HA 0.351 4.820 4.470 -0.001 0.000 0.244 87 S C 1.478 176.114 174.600 0.060 0.000 1.001 87 S CA 0.091 58.338 58.200 0.078 0.000 0.984 87 S CB 0.684 63.983 63.200 0.164 0.000 0.842 87 S HN 0.192 nan 8.310 nan 0.000 0.474 88 A N 1.532 124.367 122.820 0.026 0.000 2.125 88 A HA 0.255 4.574 4.320 -0.001 0.000 0.219 88 A C 1.980 179.576 177.584 0.020 0.000 1.156 88 A CA 1.268 53.315 52.037 0.017 0.000 0.671 88 A CB -0.983 18.016 19.000 -0.001 0.000 0.794 88 A HN 0.686 nan 8.150 nan 0.000 0.459 89 G N -0.926 107.887 108.800 0.020 0.000 3.088 89 G HA2 0.244 4.204 3.960 -0.001 0.000 0.217 89 G HA3 0.244 4.204 3.960 -0.001 0.000 0.217 89 G C 0.402 175.316 174.900 0.023 0.000 1.159 89 G CA -0.186 44.924 45.100 0.017 0.000 0.760 89 G HN 0.583 nan 8.290 nan 0.000 0.550 90 E N -0.066 120.156 120.200 0.036 0.000 2.318 90 E HA 0.569 4.918 4.350 -0.001 0.000 0.265 90 E C -0.118 176.508 176.600 0.043 0.000 1.069 90 E CA -0.419 56.005 56.400 0.041 0.000 0.893 90 E CB 1.679 31.414 29.700 0.058 0.000 1.076 90 E HN 0.375 nan 8.360 nan 0.000 0.414 91 I N -2.574 118.019 120.570 0.038 0.000 3.074 91 I HA 0.341 4.510 4.170 -0.001 0.000 0.310 91 I C 0.609 176.747 176.117 0.035 0.000 1.153 91 I CA -1.092 60.228 61.300 0.034 0.000 0.993 91 I CB 1.847 39.861 38.000 0.023 0.000 1.237 91 I HN 0.289 nan 8.210 nan 0.000 0.443 92 K N 1.344 121.763 120.400 0.032 0.000 2.089 92 K HA -0.110 4.209 4.320 -0.001 0.000 0.210 92 K C -0.890 175.723 176.600 0.022 0.000 1.048 92 K CA 2.201 58.505 56.287 0.028 0.000 0.926 92 K CB -1.204 31.307 32.500 0.018 0.000 0.714 92 K HN 0.579 nan 8.250 nan 0.000 0.448 93 P HA -0.067 nan 4.420 nan 0.000 0.230 93 P C 0.365 177.674 177.300 0.014 0.000 1.158 93 P CA 1.184 64.291 63.100 0.010 0.000 0.769 93 P CB 0.208 31.912 31.700 0.007 0.000 0.807 94 T N -7.128 107.437 114.554 0.020 0.000 3.231 94 T HA 0.138 4.488 4.350 -0.001 0.000 0.292 94 T C 0.516 175.233 174.700 0.027 0.000 1.001 94 T CA -0.301 61.811 62.100 0.020 0.000 0.920 94 T CB -0.852 68.027 68.868 0.018 0.000 1.140 94 T HN -0.147 nan 8.240 nan 0.000 0.525 95 T N 2.812 117.388 114.554 0.036 0.000 2.940 95 T HA 0.226 4.575 4.350 -0.001 0.000 0.309 95 T C 1.473 176.197 174.700 0.041 0.000 1.056 95 T CA 0.817 62.948 62.100 0.050 0.000 1.137 95 T CB 0.718 69.626 68.868 0.067 0.000 0.976 95 T HN 0.518 nan 8.240 nan 0.000 0.547 96 T N 1.723 116.302 114.554 0.041 0.000 3.069 96 T HA 0.509 4.859 4.350 -0.001 0.000 0.252 96 T C 0.736 175.432 174.700 -0.008 0.000 1.053 96 T CA -0.057 62.050 62.100 0.011 0.000 0.964 96 T CB 0.085 68.953 68.868 -0.001 0.000 1.005 96 T HN 0.722 nan 8.240 nan 0.000 0.532 97 A N 1.815 124.664 122.820 0.049 0.000 2.407 97 A HA 0.551 4.870 4.320 -0.001 0.000 0.248 97 A C 1.529 179.182 177.584 0.115 0.000 1.082 97 A CA -0.034 52.061 52.037 0.097 0.000 0.785 97 A CB 0.397 19.558 19.000 0.267 0.000 1.020 97 A HN 0.498 nan 8.150 nan 0.000 0.489 98 S N 1.117 116.910 115.700 0.155 0.000 2.503 98 S HA 0.209 4.678 4.470 -0.001 0.000 0.217 98 S C 0.338 175.100 174.600 0.271 0.000 0.999 98 S CA 0.275 58.569 58.200 0.157 0.000 0.914 98 S CB -0.206 63.014 63.200 0.034 0.000 0.782 98 S HN 0.532 nan 8.310 nan 0.000 0.520 99 I N 3.505 124.286 120.570 0.351 0.000 2.460 99 I HA 0.296 4.465 4.170 -0.001 0.000 0.277 99 I C -1.790 174.416 176.117 0.148 0.000 1.057 99 I CA -2.367 59.052 61.300 0.198 0.000 1.179 99 I CB 1.957 40.040 38.000 0.138 0.000 1.329 99 I HN -0.001 nan 8.210 nan 0.000 0.478 100 P HA -0.210 nan 4.420 nan 0.000 0.220 100 P C 1.269 178.607 177.300 0.064 0.000 1.144 100 P CA 1.322 64.467 63.100 0.075 0.000 0.800 100 P CB 0.159 31.875 31.700 0.026 0.000 0.772 101 S N -1.934 113.804 115.700 0.063 0.000 2.527 101 S HA -0.035 4.434 4.470 -0.001 0.000 0.222 101 S C 0.633 175.295 174.600 0.105 0.000 0.985 101 S CA -0.549 57.682 58.200 0.051 0.000 0.921 101 S CB -1.241 61.970 63.200 0.018 0.000 0.772 101 S HN 0.008 nan 8.310 nan 0.000 0.529 102 F N 3.023 122.963 119.950 -0.017 0.000 2.563 102 F HA 0.394 4.921 4.527 -0.001 0.000 0.363 102 F C 0.065 175.813 175.800 -0.087 0.000 1.123 102 F CA -0.148 57.819 58.000 -0.055 0.000 1.307 102 F CB 0.421 39.225 39.000 -0.327 0.000 1.115 102 F HN 0.179 nan 8.300 nan 0.000 0.592 103 D N 3.082 122.804 120.400 -1.129 0.000 2.936 103 D HA 0.226 4.866 4.640 -0.001 0.000 0.238 103 D C 0.255 175.894 176.300 -1.101 0.000 1.248 103 D CA -0.419 53.121 54.000 -0.767 0.000 0.903 103 D CB 0.865 41.483 40.800 -0.303 0.000 1.544 103 D HN 0.620 nan 8.370 nan 0.000 0.543 104 H N 2.041 120.789 119.070 -0.538 0.000 2.289 104 H HA -0.062 4.494 4.556 -0.000 0.000 0.296 104 H C 2.088 177.250 175.328 -0.277 0.000 1.091 104 H CA 2.072 57.942 56.048 -0.298 0.000 1.274 104 H CB 0.220 29.962 29.762 -0.034 0.000 1.364 104 H HN 0.533 nan 8.280 nan 0.000 0.490 105 G N -0.519 108.252 108.800 -0.050 0.000 2.446 105 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.217 105 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.217 105 G C 1.882 176.747 174.900 -0.058 0.000 1.168 105 G CA 1.172 46.251 45.100 -0.035 0.000 0.771 105 G HN 0.351 nan 8.290 nan 0.000 0.551 106 S N -0.598 115.037 115.700 -0.109 0.000 2.368 106 S HA -0.194 4.275 4.470 -0.001 0.000 0.225 106 S C 2.354 176.951 174.600 -0.005 0.000 1.030 106 S CA 1.114 59.323 58.200 0.016 0.000 0.999 106 S CB -0.663 62.589 63.200 0.085 0.000 0.844 106 S HN 0.555 nan 8.310 nan 0.000 0.459 107 C N 2.531 121.490 119.300 -0.567 0.000 2.436 107 C HA -0.035 4.425 4.460 -0.001 0.000 0.277 107 C C 2.829 177.758 174.990 -0.101 0.000 1.241 107 C CA 0.826 59.322 59.018 -0.870 0.000 1.721 107 C CB -1.168 25.837 27.740 -1.225 0.000 2.043 107 C HN 0.524 nan 8.230 nan 0.000 0.472 108 R N 0.188 120.652 120.500 -0.059 0.000 2.081 108 R HA -0.124 4.216 4.340 -0.001 0.000 0.235 108 R C 2.621 179.022 176.300 0.169 0.000 1.131 108 R CA 1.660 57.810 56.100 0.082 0.000 0.960 108 R CB -0.770 29.555 30.300 0.043 0.000 0.856 108 R HN 0.596 nan 8.270 nan 0.000 0.436 109 S N 0.488 116.273 115.700 0.141 0.000 2.356 109 S HA -0.162 4.308 4.470 -0.001 0.000 0.223 109 S C 1.687 176.401 174.600 0.191 0.000 1.032 109 S CA 1.061 59.342 58.200 0.135 0.000 1.005 109 S CB -0.273 62.996 63.200 0.115 0.000 0.867 109 S HN 0.348 nan 8.310 nan 0.000 0.449 110 F N 0.959 121.038 119.950 0.215 0.000 2.069 110 F HA -0.115 4.411 4.527 -0.001 0.000 0.298 110 F C 1.880 177.855 175.800 0.292 0.000 1.113 110 F CA 2.061 60.272 58.000 0.353 0.000 1.214 110 F CB -0.624 38.764 39.000 0.647 0.000 0.978 110 F HN 0.347 nan 8.300 nan 0.000 0.474 111 F N 0.026 120.258 119.950 0.470 0.000 2.134 111 F HA -0.164 4.363 4.527 -0.001 0.000 0.299 111 F C 2.776 178.626 175.800 0.084 0.000 1.097 111 F CA 1.764 59.949 58.000 0.307 0.000 1.264 111 F CB -0.802 38.381 39.000 0.306 0.000 1.001 111 F HN 0.042 nan 8.300 nan 0.000 0.479 112 S N -1.293 114.534 115.700 0.212 0.000 2.382 112 S HA -0.205 4.264 4.470 -0.001 0.000 0.228 112 S C 2.315 176.845 174.600 -0.116 0.000 1.027 112 S CA 1.497 59.743 58.200 0.078 0.000 0.991 112 S CB -0.635 62.614 63.200 0.082 0.000 0.823 112 S HN 0.491 nan 8.310 nan 0.000 0.469 113 S N -0.317 115.228 115.700 -0.257 0.000 2.348 113 S HA -0.027 4.442 4.470 -0.001 0.000 0.219 113 S C 1.681 175.914 174.600 -0.613 0.000 1.033 113 S CA 0.797 58.705 58.200 -0.488 0.000 0.974 113 S CB -0.397 62.376 63.200 -0.712 0.000 0.868 113 S HN 0.738 nan 8.310 nan 0.000 0.459 114 H N 0.099 118.961 119.070 -0.346 0.000 2.604 114 H HA 0.380 4.936 4.556 -0.001 0.000 0.273 114 H C 1.471 176.577 175.328 -0.370 0.000 0.971 114 H CA 0.663 56.475 56.048 -0.393 0.000 1.249 114 H CB -0.137 29.263 29.762 -0.604 0.000 1.449 114 H HN 0.568 nan 8.280 nan 0.000 0.512 115 G N 1.382 109.915 108.800 -0.444 0.000 2.685 115 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.387 115 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.387 115 G C -0.715 173.846 174.900 -0.565 0.000 1.324 115 G CA -0.393 44.297 45.100 -0.682 0.000 0.878 115 G HN 0.314 nan 8.290 nan 0.000 0.527 116 L N 1.367 122.388 121.223 -0.338 0.000 2.584 116 L HA 0.534 4.874 4.340 -0.001 0.000 0.272 116 L C 1.061 178.149 176.870 0.364 0.000 1.195 116 L CA 2.331 57.333 54.840 0.269 0.000 0.920 116 L CB 0.052 42.365 42.059 0.423 0.000 1.173 116 L HN 2.120 nan 8.230 nan 0.000 0.489 117 G N 3.239 112.362 108.800 0.537 0.000 2.441 117 G HA2 0.405 4.364 3.960 -0.001 0.000 0.294 117 G HA3 0.405 4.364 3.960 -0.001 0.000 0.294 117 G C -1.696 173.336 174.900 0.220 0.000 1.393 117 G CA -0.601 44.751 45.100 0.420 0.000 0.796 117 G HN 0.412 nan 8.290 nan 0.000 0.494 118 V N 1.102 120.941 119.914 -0.126 0.000 2.470 118 V HA 0.271 4.391 4.120 -0.001 0.000 0.276 118 V C 1.558 177.498 176.094 -0.257 0.000 1.040 118 V CA 0.279 62.310 62.300 -0.448 0.000 1.008 118 V CB 1.030 32.542 31.823 -0.517 0.000 0.990 118 V HN 0.866 nan 8.190 nan 0.000 0.477 119 R N 4.727 124.882 120.500 -0.574 0.000 2.105 119 R HA 0.388 4.727 4.340 -0.001 0.000 0.214 119 R C 0.515 176.428 176.300 -0.645 0.000 1.091 119 R CA 1.208 56.748 56.100 -0.932 0.000 1.007 119 R CB 0.178 29.352 30.300 -1.876 0.000 0.912 119 R HN 0.744 nan 8.270 nan 0.000 0.450 120 A N 0.264 122.768 122.820 -0.526 0.000 2.374 120 A HA 0.638 4.958 4.320 -0.001 0.000 0.305 120 A C -1.469 175.948 177.584 -0.277 0.000 1.053 120 A CA -0.717 51.098 52.037 -0.370 0.000 0.726 120 A CB 2.141 20.949 19.000 -0.320 0.000 1.229 120 A HN 0.009 nan 8.150 nan 0.000 0.431 121 V N 2.372 122.154 119.914 -0.221 0.000 2.311 121 V HA 0.576 4.696 4.120 -0.001 0.000 0.275 121 V C 0.572 176.607 176.094 -0.098 0.000 1.022 121 V CA -0.128 62.103 62.300 -0.116 0.000 0.830 121 V CB 0.784 32.584 31.823 -0.038 0.000 1.012 121 V HN 1.123 nan 8.190 nan 0.000 0.452 122 A N 6.666 129.391 122.820 -0.158 0.000 2.292 122 A HA 0.884 5.204 4.320 -0.001 0.000 0.319 122 A C -0.628 176.994 177.584 0.062 0.000 1.206 122 A CA -0.405 51.504 52.037 -0.213 0.000 0.835 122 A CB 0.555 19.095 19.000 -0.766 0.000 1.164 122 A HN 0.755 nan 8.150 nan 0.000 0.505 123 I N 1.057 121.698 120.570 0.119 0.000 2.569 123 I HA 0.288 4.458 4.170 -0.001 0.000 0.296 123 I C 0.200 176.440 176.117 0.205 0.000 1.028 123 I CA -0.379 61.043 61.300 0.203 0.000 1.082 123 I CB 2.127 40.246 38.000 0.198 0.000 1.264 123 I HN 0.809 nan 8.210 nan 0.000 0.429 124 E N 5.683 126.018 120.200 0.225 0.000 2.229 124 E HA 0.463 4.813 4.350 -0.001 0.000 0.283 124 E C -1.144 175.557 176.600 0.169 0.000 1.030 124 E CA -0.527 55.991 56.400 0.197 0.000 0.836 124 E CB 1.217 31.095 29.700 0.297 0.000 1.068 124 E HN 0.453 nan 8.360 nan 0.000 0.401 125 V N 1.294 121.289 119.914 0.135 0.000 3.046 125 V HA 0.328 4.447 4.120 -0.001 0.000 0.316 125 V C 1.019 177.164 176.094 0.084 0.000 1.104 125 V CA -0.637 61.732 62.300 0.115 0.000 1.006 125 V CB 1.734 33.596 31.823 0.065 0.000 1.058 125 V HN 0.928 nan 8.190 nan 0.000 0.440 126 E N 0.366 120.612 120.200 0.077 0.000 2.150 126 E HA -0.145 4.204 4.350 -0.001 0.000 0.193 126 E C -0.157 176.461 176.600 0.030 0.000 0.985 126 E CA 1.473 57.909 56.400 0.061 0.000 0.814 126 E CB 0.301 30.035 29.700 0.057 0.000 0.752 126 E HN 0.866 nan 8.360 nan 0.000 0.466 127 D N -1.394 119.003 120.400 -0.005 0.000 2.365 127 D HA 0.240 4.879 4.640 -0.001 0.000 0.235 127 D C 0.019 176.258 176.300 -0.103 0.000 1.368 127 D CA 0.196 54.171 54.000 -0.041 0.000 1.001 127 D CB 1.330 42.112 40.800 -0.030 0.000 1.364 127 D HN 0.062 nan 8.370 nan 0.000 0.577 128 A N 3.247 126.012 122.820 -0.091 0.000 1.972 128 A HA -0.159 4.161 4.320 -0.001 0.000 0.219 128 A C 1.820 179.358 177.584 -0.076 0.000 1.169 128 A CA 1.877 53.862 52.037 -0.087 0.000 0.635 128 A CB -0.221 18.756 19.000 -0.040 0.000 0.810 128 A HN 0.597 nan 8.150 nan 0.000 0.446 129 E N -0.176 119.981 120.200 -0.072 0.000 2.047 129 E HA -0.161 4.189 4.350 -0.001 0.000 0.191 129 E C 2.187 178.767 176.600 -0.032 0.000 0.987 129 E CA 1.601 57.975 56.400 -0.043 0.000 0.799 129 E CB -0.318 29.352 29.700 -0.050 0.000 0.752 129 E HN 0.500 nan 8.360 nan 0.000 0.449 130 S N -0.512 115.139 115.700 -0.082 0.000 2.356 130 S HA -0.145 4.324 4.470 -0.001 0.000 0.223 130 S C 2.092 176.546 174.600 -0.244 0.000 1.032 130 S CA 1.390 59.530 58.200 -0.100 0.000 1.005 130 S CB -0.572 62.589 63.200 -0.067 0.000 0.867 130 S HN 0.459 nan 8.310 nan 0.000 0.449 131 A N 0.583 123.122 122.820 -0.468 0.000 1.908 131 A HA -0.044 4.276 4.320 -0.001 0.000 0.218 131 A C 2.023 179.080 177.584 -0.879 0.000 1.181 131 A CA 1.763 53.073 52.037 -1.211 0.000 0.627 131 A CB -1.138 16.879 19.000 -1.637 0.000 0.818 131 A HN 0.704 nan 8.150 nan 0.000 0.445 132 F N 1.148 120.833 119.950 -0.441 0.000 2.084 132 F HA -0.143 4.384 4.527 -0.001 0.000 0.296 132 F C 2.624 178.333 175.800 -0.150 0.000 1.111 132 F CA 1.995 59.910 58.000 -0.142 0.000 1.224 132 F CB -0.337 38.635 39.000 -0.046 0.000 0.991 132 F HN 0.203 nan 8.300 nan 0.000 0.471 133 S N 1.160 116.878 115.700 0.030 0.000 2.359 133 S HA -0.202 4.267 4.470 -0.001 0.000 0.224 133 S C 2.098 176.621 174.600 -0.127 0.000 1.035 133 S CA 1.819 60.000 58.200 -0.033 0.000 1.018 133 S CB -0.640 62.581 63.200 0.036 0.000 0.876 133 S HN 0.413 nan 8.310 nan 0.000 0.448 134 I N 1.324 121.819 120.570 -0.125 0.000 2.226 134 I HA -0.173 3.997 4.170 -0.001 0.000 0.245 134 I C 2.480 178.570 176.117 -0.045 0.000 1.100 134 I CA 0.913 62.180 61.300 -0.055 0.000 1.374 134 I CB -0.473 37.544 38.000 0.028 0.000 1.057 134 I HN 0.209 nan 8.210 nan 0.000 0.413 135 S N 0.430 116.051 115.700 -0.132 0.000 2.356 135 S HA -0.142 4.328 4.470 -0.001 0.000 0.223 135 S C 2.119 176.602 174.600 -0.197 0.000 1.032 135 S CA 1.313 59.493 58.200 -0.034 0.000 1.005 135 S CB -0.292 62.867 63.200 -0.069 0.000 0.867 135 S HN 0.219 nan 8.310 nan 0.000 0.449 136 V N 2.006 121.690 119.914 -0.383 0.000 2.407 136 V HA -0.182 3.938 4.120 -0.001 0.000 0.248 136 V C 2.596 178.589 176.094 -0.168 0.000 1.055 136 V CA 1.598 63.682 62.300 -0.360 0.000 1.049 136 V CB -1.187 30.330 31.823 -0.510 0.000 0.662 136 V HN 0.540 nan 8.190 nan 0.000 0.455 137 A N 0.031 122.780 122.820 -0.118 0.000 2.024 137 A HA -0.190 4.129 4.320 -0.001 0.000 0.220 137 A C 1.761 179.331 177.584 -0.023 0.000 1.164 137 A CA 1.702 53.708 52.037 -0.052 0.000 0.643 137 A CB -0.498 18.483 19.000 -0.031 0.000 0.806 137 A HN 0.620 nan 8.150 nan 0.000 0.451 138 N N -0.805 117.888 118.700 -0.010 0.000 2.327 138 N HA 0.232 4.971 4.740 -0.001 0.000 0.231 138 N C 0.902 176.442 175.510 0.049 0.000 1.130 138 N CA 0.790 53.858 53.050 0.031 0.000 0.845 138 N CB 0.586 39.111 38.487 0.062 0.000 1.073 138 N HN 0.611 nan 8.380 nan 0.000 0.496 139 G N 0.270 109.080 108.800 0.016 0.000 2.175 139 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.244 139 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.244 139 G C 0.289 175.227 174.900 0.064 0.000 0.982 139 G CA 0.060 45.198 45.100 0.064 0.000 0.641 139 G HN 0.550 nan 8.290 nan 0.000 0.527 140 A N 0.310 123.019 122.820 -0.185 0.000 2.440 140 A HA 0.641 4.961 4.320 -0.001 0.000 0.251 140 A C 0.629 178.058 177.584 -0.259 0.000 1.089 140 A CA 0.026 51.738 52.037 -0.541 0.000 0.779 140 A CB 0.190 18.435 19.000 -1.259 0.000 1.022 140 A HN 0.780 nan 8.150 nan 0.000 0.492 141 I N 4.060 124.579 120.570 -0.084 0.000 2.322 141 I HA 0.168 4.338 4.170 -0.001 0.000 0.292 141 I C -2.079 173.952 176.117 -0.143 0.000 1.060 141 I CA -1.738 59.512 61.300 -0.083 0.000 1.309 141 I CB 1.051 39.022 38.000 -0.048 0.000 1.415 141 I HN 0.412 nan 8.210 nan 0.000 0.492 142 P HA 0.018 nan 4.420 nan 0.000 0.266 142 P C 0.151 177.479 177.300 0.046 0.000 1.195 142 P CA 0.307 63.409 63.100 0.003 0.000 0.768 142 P CB 1.098 32.881 31.700 0.137 0.000 0.838 143 S N 0.837 116.589 115.700 0.087 0.000 2.807 143 S HA 0.212 4.682 4.470 -0.001 0.000 0.247 143 S C 0.333 174.948 174.600 0.024 0.000 1.078 143 S CA 0.306 58.518 58.200 0.021 0.000 0.867 143 S CB 0.169 63.345 63.200 -0.041 0.000 0.797 143 S HN 0.408 nan 8.310 nan 0.000 0.515 144 S N 2.217 117.934 115.700 0.028 0.000 2.614 144 S HA 0.574 5.044 4.470 -0.001 0.000 0.275 144 S C -3.002 171.430 174.600 -0.280 0.000 1.161 144 S CA -1.380 56.774 58.200 -0.076 0.000 0.969 144 S CB 1.942 65.092 63.200 -0.083 0.000 1.059 144 S HN 0.234 nan 8.310 nan 0.000 0.482 145 P HA 0.304 nan 4.420 nan 0.000 0.272 145 P C -2.890 174.025 177.300 -0.641 0.000 1.240 145 P CA -1.518 61.106 63.100 -0.792 0.000 0.791 145 P CB -0.669 30.797 31.700 -0.390 0.000 0.978 146 P HA 0.240 nan 4.420 nan 0.000 0.267 146 P C -0.507 176.652 177.300 -0.234 0.000 1.205 146 P CA 0.683 63.559 63.100 -0.373 0.000 0.765 146 P CB 0.138 31.663 31.700 -0.291 0.000 0.828 147 I N 3.633 124.099 120.570 -0.173 0.000 2.533 147 I HA 0.187 4.357 4.170 -0.001 0.000 0.290 147 I C -0.697 175.358 176.117 -0.103 0.000 1.056 147 I CA -0.642 60.586 61.300 -0.120 0.000 1.057 147 I CB 2.293 40.236 38.000 -0.096 0.000 1.240 147 I HN -0.003 nan 8.210 nan 0.000 0.423 148 V N 7.024 126.888 119.914 -0.082 0.000 2.348 148 V HA 0.353 4.473 4.120 -0.001 0.000 0.270 148 V C 0.031 176.090 176.094 -0.058 0.000 1.037 148 V CA -0.593 61.662 62.300 -0.075 0.000 0.872 148 V CB 0.718 32.505 31.823 -0.059 0.000 1.002 148 V HN 0.405 nan 8.190 nan 0.000 0.464 149 L N 4.635 125.818 121.223 -0.066 0.000 2.265 149 L HA 0.417 4.756 4.340 -0.001 0.000 0.288 149 L C 1.293 178.147 176.870 -0.028 0.000 1.058 149 L CA -0.096 54.719 54.840 -0.042 0.000 0.809 149 L CB 0.202 42.231 42.059 -0.050 0.000 1.179 149 L HN 0.831 nan 8.230 nan 0.000 0.429 150 N N 2.760 121.455 118.700 -0.008 0.000 2.696 150 N HA -0.241 4.499 4.740 -0.001 0.000 0.249 150 N C -0.103 175.408 175.510 0.001 0.000 1.090 150 N CA 0.788 53.840 53.050 0.004 0.000 0.716 150 N CB -0.305 38.193 38.487 0.019 0.000 1.020 150 N HN 0.893 nan 8.380 nan 0.000 0.548 151 E N -3.830 116.364 120.200 -0.011 0.000 2.660 151 E HA -0.317 4.033 4.350 -0.001 0.000 0.260 151 E C 0.564 177.162 176.600 -0.004 0.000 1.122 151 E CA 0.640 57.034 56.400 -0.010 0.000 0.755 151 E CB -1.340 28.359 29.700 -0.001 0.000 1.345 151 E HN 0.659 nan 8.360 nan 0.000 0.421 152 A N -0.834 121.979 122.820 -0.012 0.000 1.937 152 A HA 0.379 4.698 4.320 -0.001 0.000 0.198 152 A C 0.380 177.938 177.584 -0.044 0.000 1.635 152 A CA 0.401 52.441 52.037 0.006 0.000 1.111 152 A CB 1.255 20.279 19.000 0.040 0.000 1.165 152 A HN 0.064 nan 8.150 nan 0.000 0.460 153 V N 0.863 120.704 119.914 -0.121 0.000 2.709 153 V HA 0.589 4.708 4.120 -0.001 0.000 0.308 153 V C -0.700 175.256 176.094 -0.231 0.000 1.062 153 V CA -0.406 61.722 62.300 -0.286 0.000 0.901 153 V CB 1.793 33.364 31.823 -0.421 0.000 1.003 153 V HN 0.221 nan 8.190 nan 0.000 0.425 154 T N 5.376 119.776 114.554 -0.256 0.000 2.807 154 T HA 0.690 5.040 4.350 -0.001 0.000 0.279 154 T C -0.683 173.898 174.700 -0.199 0.000 0.993 154 T CA -0.178 61.812 62.100 -0.183 0.000 0.970 154 T CB 1.378 70.166 68.868 -0.133 0.000 0.950 154 T HN 0.608 nan 8.240 nan 0.000 0.441 155 I N 2.365 122.838 120.570 -0.163 0.000 2.608 155 I HA 0.817 4.987 4.170 -0.001 0.000 0.295 155 I C -1.267 174.773 176.117 -0.128 0.000 1.049 155 I CA -0.716 60.500 61.300 -0.140 0.000 1.063 155 I CB 1.300 39.216 38.000 -0.140 0.000 1.248 155 I HN 0.776 nan 8.210 nan 0.000 0.424 156 A N 5.762 128.529 122.820 -0.089 0.000 2.594 156 A HA 0.786 5.105 4.320 -0.001 0.000 0.295 156 A C -1.633 175.902 177.584 -0.082 0.000 1.071 156 A CA -0.566 51.403 52.037 -0.114 0.000 0.685 156 A CB 1.853 20.822 19.000 -0.052 0.000 1.285 156 A HN 0.721 nan 8.150 nan 0.000 0.405 157 E N -0.149 120.020 120.200 -0.051 0.000 2.292 157 E HA 0.575 4.924 4.350 -0.001 0.000 0.272 157 E C -1.023 175.568 176.600 -0.016 0.000 0.881 157 E CA -0.893 55.434 56.400 -0.121 0.000 0.754 157 E CB 2.680 32.295 29.700 -0.142 0.000 1.201 157 E HN 0.931 nan 8.360 nan 0.000 0.425 158 V N -1.169 118.614 119.914 -0.218 0.000 3.001 158 V HA 0.562 4.682 4.120 -0.001 0.000 0.314 158 V C -0.610 175.340 176.094 -0.239 0.000 1.099 158 V CA -1.223 60.920 62.300 -0.262 0.000 0.989 158 V CB 1.756 33.259 31.823 -0.534 0.000 1.040 158 V HN 0.519 nan 8.190 nan 0.000 0.434 159 K N 1.464 121.763 120.400 -0.169 0.000 2.350 159 K HA 0.327 4.646 4.320 -0.001 0.000 0.279 159 K C 0.047 176.673 176.600 0.043 0.000 1.027 159 K CA -0.344 55.901 56.287 -0.070 0.000 0.969 159 K CB 1.460 33.940 32.500 -0.032 0.000 0.954 159 K HN 0.650 nan 8.250 nan 0.000 0.474 160 L N 3.924 125.116 121.223 -0.051 0.000 2.356 160 L HA 0.143 4.483 4.340 -0.001 0.000 0.193 160 L C -0.582 176.258 176.870 -0.050 0.000 1.087 160 L CA 1.194 55.972 54.840 -0.103 0.000 0.817 160 L CB 0.241 41.983 42.059 -0.527 0.000 1.035 160 L HN 0.704 nan 8.230 nan 0.000 0.482 161 Y N -3.265 117.097 120.300 0.103 0.000 2.638 161 Y HA 0.571 5.121 4.550 -0.001 0.000 0.334 161 Y C 0.339 176.244 175.900 0.009 0.000 1.182 161 Y CA -1.550 56.581 58.100 0.051 0.000 1.102 161 Y CB -0.340 38.152 38.460 0.052 0.000 1.343 161 Y HN 0.326 nan 8.280 nan 0.000 0.463 162 G N 1.456 110.388 108.800 0.220 0.000 2.622 162 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.307 162 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.307 162 G C 0.059 175.018 174.900 0.099 0.000 1.226 162 G CA 0.938 46.114 45.100 0.126 0.000 0.997 162 G HN 0.883 nan 8.290 nan 0.000 0.551 163 D N 0.531 120.983 120.400 0.087 0.000 2.424 163 D HA 0.325 4.964 4.640 -0.001 0.000 0.220 163 D C 0.468 176.856 176.300 0.147 0.000 1.150 163 D CA 0.190 54.300 54.000 0.184 0.000 0.831 163 D CB 0.774 41.820 40.800 0.409 0.000 0.981 163 D HN 0.275 nan 8.370 nan 0.000 0.500 164 V N 2.042 121.986 119.914 0.050 0.000 2.432 164 V HA 0.227 4.347 4.120 -0.001 0.000 0.275 164 V C 0.720 176.680 176.094 -0.223 0.000 1.043 164 V CA -0.740 61.503 62.300 -0.096 0.000 0.925 164 V CB 1.417 33.194 31.823 -0.077 0.000 0.985 164 V HN -0.029 nan 8.190 nan 0.000 0.466 165 V N 3.780 123.530 119.914 -0.273 0.000 2.850 165 V HA 0.748 4.868 4.120 -0.001 0.000 0.315 165 V C -0.610 175.314 176.094 -0.284 0.000 1.064 165 V CA -1.047 61.094 62.300 -0.264 0.000 0.979 165 V CB 1.891 33.561 31.823 -0.255 0.000 1.039 165 V HN 0.626 nan 8.190 nan 0.000 0.452 166 L N 3.233 124.285 121.223 -0.285 0.000 2.276 166 L HA 0.590 4.930 4.340 -0.001 0.000 0.286 166 L C 0.045 176.628 176.870 -0.478 0.000 1.024 166 L CA -0.349 54.309 54.840 -0.303 0.000 0.826 166 L CB 0.900 42.830 42.059 -0.216 0.000 1.211 166 L HN 0.952 nan 8.230 nan 0.000 0.422 167 R N 4.562 124.838 120.500 -0.373 0.000 2.265 167 R HA 0.362 4.702 4.340 -0.001 0.000 0.319 167 R C -1.498 174.637 176.300 -0.275 0.000 1.006 167 R CA -0.406 55.487 56.100 -0.345 0.000 0.880 167 R CB 0.621 30.787 30.300 -0.224 0.000 1.077 167 R HN 0.636 nan 8.270 nan 0.000 0.454 168 Y N 3.243 123.501 120.300 -0.070 0.000 2.320 168 Y HA 0.410 4.959 4.550 -0.001 0.000 0.334 168 Y C -0.151 175.667 175.900 -0.137 0.000 1.055 168 Y CA -1.076 56.979 58.100 -0.076 0.000 1.143 168 Y CB 2.065 40.476 38.460 -0.082 0.000 1.193 168 Y HN 0.172 nan 8.280 nan 0.000 0.477 169 V N 3.201 123.112 119.914 -0.005 0.000 2.588 169 V HA 0.527 4.646 4.120 -0.001 0.000 0.304 169 V C -0.713 175.272 176.094 -0.183 0.000 1.042 169 V CA -0.725 61.446 62.300 -0.215 0.000 0.877 169 V CB 1.901 33.444 31.823 -0.467 0.000 0.996 169 V HN 0.836 nan 8.190 nan 0.000 0.425 170 S N 3.857 119.401 115.700 -0.260 0.000 2.549 170 S HA 0.854 5.324 4.470 -0.001 0.000 0.280 170 S C -1.510 172.915 174.600 -0.292 0.000 1.109 170 S CA -0.766 57.351 58.200 -0.137 0.000 0.905 170 S CB 1.770 64.939 63.200 -0.052 0.000 1.081 170 S HN 0.418 nan 8.310 nan 0.000 0.477 171 Y N 0.732 121.018 120.300 -0.023 0.000 2.509 171 Y HA 0.616 5.165 4.550 -0.001 0.000 0.341 171 Y C 0.661 176.559 175.900 -0.003 0.000 1.038 171 Y CA -0.932 57.161 58.100 -0.012 0.000 1.089 171 Y CB 1.670 40.136 38.460 0.010 0.000 1.241 171 Y HN 0.632 nan 8.280 nan 0.000 0.468 181 F N 2.946 122.938 119.950 0.070 0.000 2.380 181 F HA 0.360 4.886 4.527 -0.001 0.000 0.295 181 F C 0.527 176.367 175.800 0.067 0.000 1.292 181 F CA -0.700 57.319 58.000 0.031 0.000 1.248 181 F CB 0.291 39.159 39.000 -0.219 0.000 1.338 181 F HN 0.241 nan 8.300 nan 0.000 0.524 182 L N 2.176 123.046 121.223 -0.589 0.000 2.558 182 L HA -0.001 4.338 4.340 -0.001 0.000 0.301 182 L C -2.122 174.795 176.870 0.078 0.000 1.267 182 L CA -1.327 53.327 54.840 -0.309 0.000 0.854 182 L CB -0.720 41.055 42.059 -0.472 0.000 1.103 182 L HN 0.416 nan 8.230 nan 0.000 0.522 183 P HA 0.082 nan 4.420 nan 0.000 0.270 183 P C 0.786 178.207 177.300 0.201 0.000 1.223 183 P CA 0.847 64.024 63.100 0.127 0.000 0.785 183 P CB 0.829 32.566 31.700 0.062 0.000 0.923 184 G N -0.206 108.688 108.800 0.157 0.000 2.383 184 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.229 184 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.229 184 G C 0.089 175.049 174.900 0.101 0.000 1.089 184 G CA -0.391 44.772 45.100 0.105 0.000 0.640 184 G HN 0.408 nan 8.290 nan 0.000 0.510 185 F N 2.145 122.147 119.950 0.087 0.000 2.459 185 F HA 0.559 5.086 4.527 -0.001 0.000 0.346 185 F C 0.839 176.692 175.800 0.089 0.000 1.128 185 F CA 0.295 58.366 58.000 0.119 0.000 1.268 185 F CB 1.094 40.240 39.000 0.243 0.000 1.161 185 F HN 0.221 nan 8.300 nan 0.000 0.583 186 E N 3.064 123.383 120.200 0.198 0.000 2.187 186 E HA 0.307 4.657 4.350 -0.001 0.000 0.268 186 E C -0.604 176.057 176.600 0.101 0.000 0.896 186 E CA -0.942 55.529 56.400 0.119 0.000 0.766 186 E CB 0.953 30.687 29.700 0.057 0.000 1.142 186 E HN 0.507 nan 8.360 nan 0.000 0.408 187 R N 2.443 122.985 120.500 0.070 0.000 2.522 187 R HA 0.116 4.456 4.340 -0.001 0.000 0.284 187 R C -0.604 175.662 176.300 -0.058 0.000 1.032 187 R CA -0.191 55.917 56.100 0.013 0.000 1.049 187 R CB 0.682 30.994 30.300 0.021 0.000 0.956 187 R HN 0.324 nan 8.270 nan 0.000 0.422 188 V N 4.719 124.532 119.914 -0.169 0.000 2.530 188 V HA 0.078 4.198 4.120 -0.001 0.000 0.282 188 V C 0.106 176.119 176.094 -0.134 0.000 1.048 188 V CA -0.139 62.011 62.300 -0.251 0.000 0.997 188 V CB 1.160 32.585 31.823 -0.663 0.000 0.987 188 V HN 0.788 nan 8.190 nan 0.000 0.477 189 E N 2.361 122.517 120.200 -0.073 0.000 2.249 189 E HA 0.656 5.006 4.350 -0.001 0.000 0.263 189 E C -0.236 176.358 176.600 -0.010 0.000 0.950 189 E CA -0.769 55.611 56.400 -0.033 0.000 0.827 189 E CB 1.150 30.842 29.700 -0.014 0.000 1.220 189 E HN 0.632 nan 8.360 nan 0.000 0.411 190 D N 0.097 120.494 120.400 -0.006 0.000 3.417 190 D HA -0.382 4.258 4.640 -0.001 0.000 0.163 190 D C 1.097 177.410 176.300 0.022 0.000 1.070 190 D CA 2.837 56.840 54.000 0.005 0.000 1.047 190 D CB -0.878 39.930 40.800 0.014 0.000 0.514 190 D HN 0.599 nan 8.370 nan 0.000 0.532 191 A N -0.729 122.117 122.820 0.043 0.000 2.067 191 A HA -0.054 4.266 4.320 -0.001 0.000 0.219 191 A C 1.965 179.626 177.584 0.130 0.000 1.158 191 A CA 2.141 54.228 52.037 0.084 0.000 0.661 191 A CB -0.312 18.736 19.000 0.080 0.000 0.801 191 A HN 0.326 nan 8.150 nan 0.000 0.452 192 S N -0.571 115.196 115.700 0.111 0.000 2.547 192 S HA 0.021 4.491 4.470 -0.001 0.000 0.235 192 S C 0.965 175.704 174.600 0.231 0.000 0.980 192 S CA 0.937 59.239 58.200 0.170 0.000 0.941 192 S CB -0.135 63.152 63.200 0.145 0.000 0.763 192 S HN 0.452 nan 8.310 nan 0.000 0.532 193 S N 0.900 116.690 115.700 0.150 0.000 2.399 193 S HA 0.447 4.916 4.470 -0.001 0.000 0.215 193 S C -0.682 174.015 174.600 0.162 0.000 1.456 193 S CA -0.775 57.514 58.200 0.149 0.000 1.199 193 S CB -0.264 62.941 63.200 0.008 0.000 1.063 193 S HN 0.299 nan 8.310 nan 0.000 0.476 194 F N 6.015 126.027 119.950 0.103 0.000 2.495 194 F HA 0.390 4.916 4.527 -0.001 0.000 0.365 194 F C -1.571 174.282 175.800 0.088 0.000 1.090 194 F CA -1.653 56.401 58.000 0.089 0.000 1.235 194 F CB 1.000 40.060 39.000 0.099 0.000 1.119 194 F HN 0.365 nan 8.300 nan 0.000 0.562 195 P HA 0.046 nan 4.420 nan 0.000 0.231 195 P C -0.573 176.816 177.300 0.148 0.000 1.756 195 P CA 0.333 63.414 63.100 -0.031 0.000 0.990 195 P CB -0.345 31.265 31.700 -0.150 0.000 1.973 196 L N 1.389 122.793 121.223 0.301 0.000 2.439 196 L HA 0.324 4.664 4.340 -0.001 0.000 0.269 196 L C 0.684 177.576 176.870 0.037 0.000 1.179 196 L CA 0.587 55.578 54.840 0.251 0.000 0.828 196 L CB 0.248 42.420 42.059 0.190 0.000 1.106 196 L HN 0.148 nan 8.230 nan 0.000 0.467 197 D N 0.785 121.183 120.400 -0.004 0.000 2.301 197 D HA 0.105 4.745 4.640 -0.001 0.000 0.203 197 D C -0.589 175.800 176.300 0.148 0.000 1.300 197 D CA -0.359 53.623 54.000 -0.031 0.000 0.899 197 D CB 0.255 41.076 40.800 0.035 0.000 1.597 197 D HN 0.392 nan 8.370 nan 0.000 0.538 198 Y N 1.948 122.260 120.300 0.021 0.000 2.468 198 Y HA 0.380 4.930 4.550 -0.001 0.000 0.268 198 Y C 1.947 177.847 175.900 0.000 0.000 1.177 198 Y CA -0.255 57.848 58.100 0.005 0.000 1.265 198 Y CB 1.173 39.627 38.460 -0.012 0.000 1.103 198 Y HN 0.608 nan 8.280 nan 0.000 0.522 199 G N 0.912 109.775 108.800 0.106 0.000 2.231 199 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.206 199 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.206 199 G C 0.045 174.952 174.900 0.012 0.000 0.996 199 G CA -0.527 44.604 45.100 0.053 0.000 0.645 199 G HN 0.209 nan 8.290 nan 0.000 0.498 200 I N 1.292 121.859 120.570 -0.005 0.000 2.618 200 I HA 0.241 4.410 4.170 -0.001 0.000 0.284 200 I C 1.595 177.679 176.117 -0.055 0.000 1.146 200 I CA -0.129 61.146 61.300 -0.041 0.000 1.425 200 I CB 0.841 38.796 38.000 -0.075 0.000 1.383 200 I HN 0.034 nan 8.210 nan 0.000 0.562 201 R N 5.185 125.655 120.500 -0.049 0.000 2.310 201 R HA 0.260 4.599 4.340 -0.001 0.000 0.199 201 R C 0.130 176.407 176.300 -0.039 0.000 0.891 201 R CA 0.206 56.282 56.100 -0.040 0.000 1.060 201 R CB 0.509 30.795 30.300 -0.023 0.000 1.188 201 R HN 0.732 nan 8.270 nan 0.000 0.607 202 R N -0.774 119.702 120.500 -0.040 0.000 2.741 202 R HA 0.297 4.636 4.340 -0.001 0.000 0.276 202 R C -1.571 174.707 176.300 -0.036 0.000 1.028 202 R CA -0.860 55.227 56.100 -0.021 0.000 0.865 202 R CB 0.361 30.678 30.300 0.028 0.000 1.268 202 R HN -0.099 nan 8.270 nan 0.000 0.475 203 L N 2.127 123.326 121.223 -0.041 0.000 2.313 203 L HA 0.243 4.583 4.340 -0.001 0.000 0.282 203 L C 0.348 177.183 176.870 -0.059 0.000 1.092 203 L CA 0.511 55.261 54.840 -0.150 0.000 0.831 203 L CB 1.095 42.915 42.059 -0.397 0.000 1.159 203 L HN 0.905 nan 8.230 nan 0.000 0.442 204 D N 2.355 122.734 120.400 -0.035 0.000 2.144 204 D HA -0.004 4.635 4.640 -0.001 0.000 0.207 204 D C -0.148 176.332 176.300 0.300 0.000 0.970 204 D CA 1.198 55.281 54.000 0.139 0.000 0.853 204 D CB 0.262 41.154 40.800 0.154 0.000 1.007 204 D HN 0.725 nan 8.370 nan 0.000 0.469 205 H N -2.213 116.886 119.070 0.049 0.000 3.046 205 H HA 0.662 5.218 4.556 -0.001 0.000 0.363 205 H C -1.819 173.442 175.328 -0.111 0.000 1.203 205 H CA -1.266 54.821 56.048 0.064 0.000 1.169 205 H CB 1.040 30.892 29.762 0.149 0.000 1.851 205 H HN -0.008 nan 8.280 nan 0.000 0.546 206 A N 2.699 125.529 122.820 0.017 0.000 2.340 206 A HA 0.533 4.853 4.320 -0.001 0.000 0.297 206 A C -0.782 176.765 177.584 -0.060 0.000 1.195 206 A CA -0.637 51.332 52.037 -0.113 0.000 0.769 206 A CB 0.902 19.840 19.000 -0.104 0.000 1.163 206 A HN 0.391 nan 8.150 nan 0.000 0.472 207 V N 2.072 121.833 119.914 -0.255 0.000 2.439 207 V HA 0.729 4.849 4.120 -0.001 0.000 0.282 207 V C 0.884 176.833 176.094 -0.242 0.000 1.039 207 V CA -0.003 62.130 62.300 -0.279 0.000 0.913 207 V CB 1.597 33.085 31.823 -0.558 0.000 0.983 207 V HN 1.038 nan 8.190 nan 0.000 0.460 208 G N 2.565 111.210 108.800 -0.258 0.000 2.448 208 G HA2 0.532 4.491 3.960 -0.001 0.000 0.324 208 G HA3 0.532 4.491 3.960 -0.001 0.000 0.324 208 G C -0.857 173.682 174.900 -0.603 0.000 1.203 208 G CA -0.666 44.092 45.100 -0.569 0.000 0.954 208 G HN 0.552 nan 8.290 nan 0.000 0.480 209 N N -0.077 118.252 118.700 -0.617 0.000 2.421 209 N HA 0.585 5.324 4.740 -0.001 0.000 0.285 209 N C -0.066 175.229 175.510 -0.358 0.000 1.027 209 N CA -0.325 52.436 53.050 -0.481 0.000 0.918 209 N CB 2.029 40.115 38.487 -0.667 0.000 1.152 209 N HN 0.574 nan 8.380 nan 0.000 0.485 210 V N 0.434 120.206 119.914 -0.236 0.000 3.078 210 V HA 0.649 4.769 4.120 -0.001 0.000 0.311 210 V C -2.062 174.000 176.094 -0.053 0.000 1.138 210 V CA -1.675 60.546 62.300 -0.132 0.000 1.007 210 V CB 2.698 34.445 31.823 -0.127 0.000 1.045 210 V HN 0.387 nan 8.190 nan 0.000 0.432 211 P HA 0.058 nan 4.420 nan 0.000 0.220 211 P C 0.146 177.458 177.300 0.021 0.000 1.152 211 P CA 1.031 64.149 63.100 0.031 0.000 0.812 211 P CB 0.454 32.185 31.700 0.051 0.000 0.792 212 E N -0.442 119.763 120.200 0.008 0.000 2.279 212 E HA 0.156 4.505 4.350 -0.001 0.000 0.252 212 E C 0.261 176.861 176.600 0.000 0.000 0.894 212 E CA -0.536 55.869 56.400 0.008 0.000 0.785 212 E CB 1.743 31.455 29.700 0.020 0.000 1.237 212 E HN -0.160 nan 8.360 nan 0.000 0.418 213 L N 3.510 124.724 121.223 -0.015 0.000 2.012 213 L HA -0.097 4.243 4.340 -0.001 0.000 0.210 213 L C 1.959 178.835 176.870 0.010 0.000 1.073 213 L CA 2.676 57.507 54.840 -0.015 0.000 0.748 213 L CB -0.722 41.317 42.059 -0.034 0.000 0.891 213 L HN 0.730 nan 8.230 nan 0.000 0.431 214 G N -0.370 108.436 108.800 0.011 0.000 2.586 214 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.218 214 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.218 214 G C -0.530 174.395 174.900 0.042 0.000 1.216 214 G CA 1.148 46.261 45.100 0.022 0.000 0.786 214 G HN 0.387 nan 8.290 nan 0.000 0.583 215 P HA -0.004 nan 4.420 nan 0.000 0.216 215 P C 2.142 179.514 177.300 0.120 0.000 1.150 215 P CA 1.927 65.069 63.100 0.070 0.000 0.837 215 P CB -0.143 31.583 31.700 0.044 0.000 0.786 216 A N -0.800 122.086 122.820 0.109 0.000 1.898 216 A HA -0.141 4.178 4.320 -0.001 0.000 0.216 216 A C 2.202 179.892 177.584 0.178 0.000 1.181 216 A CA 1.291 53.434 52.037 0.176 0.000 0.620 216 A CB -1.562 17.514 19.000 0.126 0.000 0.819 216 A HN 0.098 nan 8.150 nan 0.000 0.442 217 L N -0.800 120.481 121.223 0.097 0.000 2.017 217 L HA -0.158 4.181 4.340 -0.001 0.000 0.208 217 L C 2.810 179.706 176.870 0.044 0.000 1.073 217 L CA 1.824 56.697 54.840 0.055 0.000 0.745 217 L CB -0.861 41.215 42.059 0.029 0.000 0.894 217 L HN 0.341 nan 8.230 nan 0.000 0.432 218 T N -1.291 113.305 114.554 0.069 0.000 2.759 218 T HA -0.261 4.089 4.350 -0.001 0.000 0.269 218 T C 1.609 176.364 174.700 0.092 0.000 1.042 218 T CA 1.586 63.725 62.100 0.065 0.000 1.140 218 T CB -0.339 68.573 68.868 0.074 0.000 0.864 218 T HN 0.328 nan 8.240 nan 0.000 0.455 219 Y N 1.800 122.123 120.300 0.039 0.000 2.153 219 Y HA -0.095 4.455 4.550 -0.001 0.000 0.289 219 Y C 2.277 178.218 175.900 0.068 0.000 1.127 219 Y CA 0.742 58.898 58.100 0.094 0.000 1.131 219 Y CB -0.695 37.841 38.460 0.126 0.000 0.995 219 Y HN -0.023 nan 8.280 nan 0.000 0.505 220 V N 0.799 120.578 119.914 -0.225 0.000 2.295 220 V HA -0.283 3.836 4.120 -0.001 0.000 0.246 220 V C 2.720 178.345 176.094 -0.781 0.000 1.049 220 V CA 1.891 63.795 62.300 -0.659 0.000 1.024 220 V CB -1.717 29.944 31.823 -0.270 0.000 0.648 220 V HN 0.553 nan 8.190 nan 0.000 0.447 221 A N 0.631 123.232 122.820 -0.365 0.000 1.933 221 A HA -0.069 4.251 4.320 -0.001 0.000 0.218 221 A C 2.421 179.836 177.584 -0.282 0.000 1.175 221 A CA 1.877 53.751 52.037 -0.271 0.000 0.628 221 A CB -1.241 17.699 19.000 -0.099 0.000 0.814 221 A HN 0.526 nan 8.150 nan 0.000 0.444 222 G N 0.068 108.736 108.800 -0.220 0.000 2.459 222 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.217 222 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.217 222 G C 1.371 176.201 174.900 -0.117 0.000 1.183 222 G CA 1.410 46.438 45.100 -0.120 0.000 0.776 222 G HN 0.871 nan 8.290 nan 0.000 0.552 223 F N 1.415 121.217 119.950 -0.247 0.000 2.615 223 F HA 0.183 4.710 4.527 -0.001 0.000 0.297 223 F C 2.344 178.075 175.800 -0.115 0.000 1.124 223 F CA 1.517 59.400 58.000 -0.196 0.000 1.451 223 F CB -0.598 38.236 39.000 -0.277 0.000 1.103 223 F HN 0.132 nan 8.300 nan 0.000 0.569 224 T N -4.090 110.090 114.554 -0.623 0.000 3.034 224 T HA 0.455 4.805 4.350 -0.001 0.000 0.248 224 T C 1.833 176.202 174.700 -0.552 0.000 1.040 224 T CA 0.562 62.239 62.100 -0.704 0.000 1.107 224 T CB -0.141 67.777 68.868 -1.584 0.000 0.932 224 T HN 0.768 nan 8.240 nan 0.000 0.474 225 G N 1.150 109.741 108.800 -0.348 0.000 2.157 225 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.239 225 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.239 225 G C 0.072 175.000 174.900 0.047 0.000 0.982 225 G CA -0.314 44.709 45.100 -0.129 0.000 0.650 225 G HN 0.612 nan 8.290 nan 0.000 0.527 226 F N 3.069 122.883 119.950 -0.228 0.000 2.607 226 F HA 0.232 4.758 4.527 -0.001 0.000 0.374 226 F C 1.744 177.477 175.800 -0.112 0.000 1.104 226 F CA -0.279 57.600 58.000 -0.202 0.000 1.296 226 F CB 0.387 39.231 39.000 -0.260 0.000 1.085 226 F HN 0.352 nan 8.300 nan 0.000 0.584 227 H N 2.457 121.576 119.070 0.082 0.000 2.496 227 H HA 0.253 4.808 4.556 -0.001 0.000 0.342 227 H C -0.831 174.531 175.328 0.056 0.000 1.170 227 H CA -1.077 54.994 56.048 0.039 0.000 1.274 227 H CB 0.979 30.747 29.762 0.009 0.000 1.538 227 H HN 0.580 nan 8.280 nan 0.000 0.542 228 Q N 1.613 121.509 119.800 0.159 0.000 2.293 228 Q HA 0.105 4.445 4.340 -0.001 0.000 0.263 228 Q C -1.113 175.004 176.000 0.196 0.000 1.002 228 Q CA -0.458 55.413 55.803 0.114 0.000 0.910 228 Q CB 0.353 29.137 28.738 0.078 0.000 1.185 228 Q HN 0.486 nan 8.270 nan 0.000 0.401 229 F N 3.466 123.428 119.950 0.020 0.000 2.421 229 F HA 0.425 4.951 4.527 -0.001 0.000 0.358 229 F C -0.015 175.837 175.800 0.087 0.000 1.115 229 F CA -0.564 57.482 58.000 0.077 0.000 1.160 229 F CB 0.328 39.351 39.000 0.038 0.000 1.123 229 F HN 0.583 nan 8.300 nan 0.000 0.508 243 G N 0.816 109.547 108.800 -0.116 0.000 2.179 243 G HA2 -0.037 3.923 3.960 -0.001 0.000 0.260 243 G HA3 -0.037 3.923 3.960 -0.001 0.000 0.260 243 G C -0.253 174.574 174.900 -0.121 0.000 0.977 243 G CA 0.945 45.986 45.100 -0.098 0.000 0.641 243 G HN 1.629 nan 8.290 nan 0.000 0.533 244 L N -3.750 117.384 121.223 -0.149 0.000 2.491 244 L HA 0.938 5.277 4.340 -0.001 0.000 0.254 244 L C -0.969 175.810 176.870 -0.151 0.000 1.048 244 L CA -1.738 53.014 54.840 -0.146 0.000 0.855 244 L CB 1.365 43.347 42.059 -0.129 0.000 1.466 244 L HN -0.065 nan 8.230 nan 0.000 0.409 245 N N 0.191 118.815 118.700 -0.126 0.000 2.310 245 N HA 0.755 5.495 4.740 -0.001 0.000 0.292 245 N C -1.459 173.993 175.510 -0.096 0.000 1.049 245 N CA -0.446 52.541 53.050 -0.106 0.000 0.849 245 N CB 2.318 40.754 38.487 -0.086 0.000 1.532 245 N HN 0.864 nan 8.380 nan 0.000 0.479 246 S N 0.242 115.890 115.700 -0.087 0.000 2.667 246 S HA 0.964 5.434 4.470 -0.001 0.000 0.292 246 S C -0.968 173.593 174.600 -0.064 0.000 1.126 246 S CA -0.784 57.367 58.200 -0.081 0.000 0.881 246 S CB 2.337 65.487 63.200 -0.083 0.000 1.132 246 S HN 0.725 nan 8.310 nan 0.000 0.492 247 A N 0.737 123.514 122.820 -0.072 0.000 2.566 247 A HA 0.696 5.016 4.320 -0.001 0.000 0.297 247 A C -1.679 175.857 177.584 -0.081 0.000 1.059 247 A CA -0.578 51.429 52.037 -0.049 0.000 0.691 247 A CB 1.095 20.081 19.000 -0.024 0.000 1.282 247 A HN 0.611 nan 8.150 nan 0.000 0.401 248 V N 2.748 122.624 119.914 -0.064 0.000 2.417 248 V HA 0.478 4.597 4.120 -0.001 0.000 0.291 248 V C -0.240 175.838 176.094 -0.028 0.000 1.024 248 V CA -0.336 61.895 62.300 -0.115 0.000 0.861 248 V CB 1.295 33.001 31.823 -0.194 0.000 0.985 248 V HN 0.749 nan 8.190 nan 0.000 0.436 249 L N 4.300 125.495 121.223 -0.047 0.000 2.309 249 L HA 0.902 5.242 4.340 -0.001 0.000 0.282 249 L C 0.204 176.971 176.870 -0.172 0.000 1.036 249 L CA -0.265 54.555 54.840 -0.034 0.000 0.806 249 L CB 1.758 43.861 42.059 0.075 0.000 1.220 249 L HN 0.784 nan 8.230 nan 0.000 0.429 250 A N 1.654 124.223 122.820 -0.418 0.000 2.498 250 A HA 0.736 5.056 4.320 -0.001 0.000 0.298 250 A C -0.278 176.683 177.584 -1.039 0.000 1.075 250 A CA -0.523 51.101 52.037 -0.689 0.000 0.714 250 A CB 1.749 20.471 19.000 -0.464 0.000 1.299 250 A HN 0.690 nan 8.150 nan 0.000 0.407 251 S N 1.027 116.068 115.700 -1.098 0.000 2.633 251 S HA 0.136 4.606 4.470 -0.001 0.000 0.257 251 S C 0.858 175.309 174.600 -0.249 0.000 1.265 251 S CA 0.025 57.696 58.200 -0.883 0.000 0.980 251 S CB 0.058 62.824 63.200 -0.723 0.000 1.017 251 S HN 0.654 nan 8.310 nan 0.000 0.577 252 N N 2.379 121.025 118.700 -0.090 0.000 2.043 252 N HA -0.127 4.613 4.740 -0.001 0.000 0.193 252 N C 1.037 176.581 175.510 0.057 0.000 1.037 252 N CA 1.799 54.875 53.050 0.044 0.000 0.851 252 N CB -0.786 37.696 38.487 -0.009 0.000 1.027 252 N HN 0.897 nan 8.380 nan 0.000 0.422 253 D N 0.427 120.821 120.400 -0.010 0.000 2.319 253 D HA -0.021 4.618 4.640 -0.001 0.000 0.230 253 D C -0.387 175.920 176.300 0.011 0.000 1.094 253 D CA -0.021 53.982 54.000 0.005 0.000 0.856 253 D CB -0.706 40.086 40.800 -0.013 0.000 0.915 253 D HN 0.284 nan 8.370 nan 0.000 0.517 254 E N -0.935 119.262 120.200 -0.005 0.000 2.494 254 E HA -0.241 4.109 4.350 -0.001 0.000 0.249 254 E C 0.525 177.075 176.600 -0.084 0.000 1.184 254 E CA 0.387 56.770 56.400 -0.029 0.000 0.727 254 E CB -0.736 29.082 29.700 0.197 0.000 1.281 254 E HN 0.325 nan 8.360 nan 0.000 0.405 255 M N -0.619 118.909 119.600 -0.119 0.000 2.501 255 M HA 0.070 4.550 4.480 -0.001 0.000 0.261 255 M C 0.658 176.864 176.300 -0.156 0.000 1.129 255 M CA 0.698 55.949 55.300 -0.083 0.000 1.126 255 M CB 0.530 33.099 32.600 -0.052 0.000 1.359 255 M HN -0.060 nan 8.290 nan 0.000 0.471 256 V N 2.728 122.423 119.914 -0.366 0.000 2.350 256 V HA 0.370 4.490 4.120 -0.001 0.000 0.276 256 V C -0.303 175.538 176.094 -0.421 0.000 1.028 256 V CA -0.410 61.483 62.300 -0.678 0.000 0.860 256 V CB 1.375 32.734 31.823 -0.774 0.000 0.990 256 V HN 0.150 nan 8.190 nan 0.000 0.453 257 L N 6.715 127.898 121.223 -0.066 0.000 2.343 257 L HA 0.578 4.917 4.340 -0.001 0.000 0.278 257 L C -0.643 176.328 176.870 0.169 0.000 0.996 257 L CA -0.389 54.452 54.840 0.001 0.000 0.831 257 L CB 1.777 43.861 42.059 0.041 0.000 1.232 257 L HN 0.449 nan 8.230 nan 0.000 0.413 258 L N 5.023 126.290 121.223 0.073 0.000 2.435 258 L HA 0.427 4.766 4.340 -0.001 0.000 0.253 258 L C -2.397 174.493 176.870 0.033 0.000 1.087 258 L CA -1.546 53.374 54.840 0.133 0.000 0.950 258 L CB 0.935 43.117 42.059 0.206 0.000 1.304 258 L HN 0.291 nan 8.230 nan 0.000 0.453 259 P HA 0.377 nan 4.420 nan 0.000 0.274 259 P C -0.562 176.681 177.300 -0.096 0.000 1.237 259 P CA -0.068 62.940 63.100 -0.152 0.000 0.793 259 P CB 1.212 32.724 31.700 -0.312 0.000 0.977 260 I N 1.419 121.924 120.570 -0.108 0.000 2.656 260 I HA 0.342 4.511 4.170 -0.001 0.000 0.292 260 I C -0.401 175.638 176.117 -0.131 0.000 1.144 260 I CA -0.611 60.610 61.300 -0.132 0.000 1.038 260 I CB 2.389 40.344 38.000 -0.075 0.000 1.244 260 I HN 0.317 nan 8.210 nan 0.000 0.420 261 N N 3.769 122.372 118.700 -0.160 0.000 2.381 261 N HA 0.640 5.380 4.740 -0.001 0.000 0.294 261 N C -1.544 173.886 175.510 -0.132 0.000 1.216 261 N CA -0.992 51.982 53.050 -0.126 0.000 0.803 261 N CB 2.104 40.527 38.487 -0.107 0.000 1.372 261 N HN 0.642 nan 8.380 nan 0.000 0.500 262 E N -0.405 119.729 120.200 -0.109 0.000 2.367 262 E HA 0.520 4.869 4.350 -0.001 0.000 0.273 262 E C -3.097 173.428 176.600 -0.124 0.000 0.903 262 E CA -2.100 54.239 56.400 -0.102 0.000 0.764 262 E CB 2.581 32.232 29.700 -0.081 0.000 1.252 262 E HN 0.185 nan 8.360 nan 0.000 0.446 263 P HA 0.119 nan 4.420 nan 0.000 0.276 263 P C -0.570 176.503 177.300 -0.378 0.000 1.252 263 P CA -0.573 62.386 63.100 -0.235 0.000 0.802 263 P CB 1.129 32.692 31.700 -0.229 0.000 1.035 264 V N 2.455 122.156 119.914 -0.354 0.000 2.380 264 V HA 0.203 4.322 4.120 -0.001 0.000 0.286 264 V C 0.115 176.041 176.094 -0.280 0.000 1.015 264 V CA -0.483 61.636 62.300 -0.302 0.000 0.834 264 V CB 0.155 31.881 31.823 -0.160 0.000 1.009 264 V HN 0.572 nan 8.190 nan 0.000 0.428 265 H N 2.496 121.559 119.070 -0.011 0.000 2.603 265 H HA 0.728 5.284 4.556 -0.001 0.000 0.370 265 H C 0.868 176.189 175.328 -0.011 0.000 1.225 265 H CA 0.913 56.958 56.048 -0.007 0.000 1.410 265 H CB 1.023 30.784 29.762 -0.002 0.000 1.495 265 H HN 1.048 nan 8.280 nan 0.000 0.602 271 S N 2.212 117.939 115.700 0.046 0.000 2.558 271 S HA -0.030 4.440 4.470 -0.001 0.000 0.293 271 S C 0.874 175.506 174.600 0.053 0.000 1.292 271 S CA 0.391 58.602 58.200 0.019 0.000 1.063 271 S CB 0.922 64.101 63.200 -0.034 0.000 0.831 271 S HN 0.590 nan 8.310 nan 0.000 0.499 272 Q N 3.634 123.463 119.800 0.048 0.000 2.119 272 Q HA 0.024 4.363 4.340 -0.001 0.000 0.201 272 Q C 1.820 177.888 176.000 0.113 0.000 0.972 272 Q CA 1.349 57.195 55.803 0.072 0.000 0.847 272 Q CB -0.200 28.574 28.738 0.060 0.000 0.903 272 Q HN 0.760 nan 8.270 nan 0.000 0.433 273 I N 0.313 120.930 120.570 0.078 0.000 2.394 273 I HA -0.190 3.979 4.170 -0.001 0.000 0.251 273 I C 2.133 178.334 176.117 0.140 0.000 1.136 273 I CA 1.115 62.462 61.300 0.078 0.000 1.425 273 I CB -1.064 36.928 38.000 -0.014 0.000 1.079 273 I HN 0.267 nan 8.210 nan 0.000 0.425 274 Q N 1.398 121.270 119.800 0.120 0.000 2.049 274 Q HA -0.129 4.211 4.340 -0.001 0.000 0.198 274 Q C 2.171 178.282 176.000 0.185 0.000 0.971 274 Q CA 2.288 58.187 55.803 0.160 0.000 0.833 274 Q CB -0.488 28.358 28.738 0.179 0.000 0.896 274 Q HN 0.401 nan 8.270 nan 0.000 0.434 275 T N 0.142 114.806 114.554 0.183 0.000 2.759 275 T HA -0.199 4.151 4.350 -0.001 0.000 0.269 275 T C 1.323 176.194 174.700 0.285 0.000 1.042 275 T CA 1.512 63.747 62.100 0.225 0.000 1.140 275 T CB -0.609 68.358 68.868 0.165 0.000 0.864 275 T HN 0.494 nan 8.240 nan 0.000 0.455 276 Y N 1.753 122.134 120.300 0.135 0.000 2.114 276 Y HA -0.133 4.417 4.550 -0.001 0.000 0.284 276 Y C 2.072 178.048 175.900 0.127 0.000 1.143 276 Y CA 1.268 59.447 58.100 0.132 0.000 1.135 276 Y CB -0.475 38.048 38.460 0.106 0.000 0.980 276 Y HN 0.090 nan 8.280 nan 0.000 0.499 277 L N 0.249 121.697 121.223 0.375 0.000 2.043 277 L HA -0.263 4.077 4.340 -0.001 0.000 0.212 277 L C 2.362 179.280 176.870 0.081 0.000 1.075 277 L CA 1.927 56.909 54.840 0.236 0.000 0.752 277 L CB -0.629 41.553 42.059 0.204 0.000 0.891 277 L HN 0.377 nan 8.230 nan 0.000 0.432 278 E N -0.964 119.281 120.200 0.075 0.000 2.028 278 E HA -0.202 4.148 4.350 -0.001 0.000 0.191 278 E C 2.189 178.714 176.600 -0.125 0.000 0.988 278 E CA 1.085 57.471 56.400 -0.023 0.000 0.799 278 E CB -0.147 29.536 29.700 -0.028 0.000 0.755 278 E HN 0.566 nan 8.360 nan 0.000 0.447 279 H N 0.023 119.050 119.070 -0.072 0.000 2.423 279 H HA -0.028 4.528 4.556 -0.001 0.000 0.297 279 H C 1.823 177.054 175.328 -0.161 0.000 1.075 279 H CA 0.827 56.812 56.048 -0.105 0.000 1.342 279 H CB 0.049 29.752 29.762 -0.100 0.000 1.395 279 H HN 0.197 nan 8.280 nan 0.000 0.530 280 N N 0.816 119.422 118.700 -0.156 0.000 2.463 280 N HA -0.098 4.641 4.740 -0.001 0.000 0.181 280 N C -0.498 175.015 175.510 0.005 0.000 1.078 280 N CA 0.144 53.079 53.050 -0.192 0.000 0.902 280 N CB 0.453 38.628 38.487 -0.521 0.000 0.970 280 N HN 0.295 nan 8.380 nan 0.000 0.451 281 E N -0.325 119.862 120.200 -0.021 0.000 2.287 281 E HA -0.173 4.176 4.350 -0.001 0.000 0.229 281 E C 0.120 176.785 176.600 0.107 0.000 1.194 281 E CA 0.193 56.596 56.400 0.004 0.000 0.704 281 E CB -1.583 28.065 29.700 -0.088 0.000 1.216 281 E HN 0.692 nan 8.360 nan 0.000 0.381 282 G N -0.986 107.871 108.800 0.095 0.000 2.422 282 G HA2 0.191 4.151 3.960 -0.001 0.000 0.607 282 G HA3 0.191 4.151 3.960 -0.001 0.000 0.607 282 G C -0.135 174.847 174.900 0.138 0.000 1.270 282 G CA -0.203 44.967 45.100 0.116 0.000 0.992 282 G HN 0.877 nan 8.290 nan 0.000 0.499 283 A N -0.734 122.147 122.820 0.102 0.000 2.466 283 A HA 0.886 5.206 4.320 -0.001 0.000 0.238 283 A C 1.165 178.796 177.584 0.079 0.000 1.074 283 A CA 1.583 53.666 52.037 0.077 0.000 0.774 283 A CB 0.409 19.424 19.000 0.026 0.000 1.015 283 A HN 2.735 nan 8.150 nan 0.000 0.498 284 G N -0.844 108.006 108.800 0.084 0.000 2.356 284 G HA2 0.483 4.442 3.960 -0.001 0.000 0.294 284 G HA3 0.483 4.442 3.960 -0.001 0.000 0.294 284 G C -1.505 173.452 174.900 0.096 0.000 1.423 284 G CA -0.888 44.301 45.100 0.148 0.000 0.806 284 G HN 0.957 nan 8.290 nan 0.000 0.527 285 L N 1.182 122.506 121.223 0.168 0.000 2.462 285 L HA 0.300 4.639 4.340 -0.001 0.000 0.272 285 L C 1.905 178.773 176.870 -0.004 0.000 1.166 285 L CA 0.339 55.210 54.840 0.051 0.000 0.880 285 L CB 1.280 43.352 42.059 0.023 0.000 1.142 285 L HN 0.793 nan 8.230 nan 0.000 0.473 286 Q N 4.299 123.971 119.800 -0.213 0.000 2.107 286 Q HA 0.013 4.352 4.340 -0.001 0.000 0.195 286 Q C -0.406 175.446 176.000 -0.246 0.000 0.964 286 Q CA 0.844 56.505 55.803 -0.236 0.000 0.833 286 Q CB 0.286 28.831 28.738 -0.322 0.000 0.910 286 Q HN 0.811 nan 8.270 nan 0.000 0.465 287 H N -2.181 116.639 119.070 -0.416 0.000 3.046 287 H HA 0.410 4.966 4.556 -0.001 0.000 0.361 287 H C -1.689 173.475 175.328 -0.273 0.000 1.235 287 H CA -0.878 54.843 56.048 -0.546 0.000 1.146 287 H CB 0.486 29.570 29.762 -1.130 0.000 1.859 287 H HN 0.081 nan 8.280 nan 0.000 0.548 288 L N 2.281 123.449 121.223 -0.092 0.000 2.305 288 L HA 0.603 4.942 4.340 -0.001 0.000 0.284 288 L C 0.242 177.079 176.870 -0.056 0.000 1.013 288 L CA -0.920 53.862 54.840 -0.097 0.000 0.819 288 L CB 1.636 43.715 42.059 0.033 0.000 1.227 288 L HN 0.771 nan 8.230 nan 0.000 0.417 289 A N 5.812 128.484 122.820 -0.247 0.000 2.276 289 A HA 0.699 5.018 4.320 -0.001 0.000 0.300 289 A C -0.443 177.039 177.584 -0.170 0.000 1.235 289 A CA -0.400 51.475 52.037 -0.269 0.000 0.867 289 A CB 0.203 18.729 19.000 -0.790 0.000 1.137 289 A HN 0.686 nan 8.150 nan 0.000 0.527 290 L N 3.419 124.594 121.223 -0.081 0.000 2.280 290 L HA 0.418 4.758 4.340 -0.001 0.000 0.287 290 L C 0.265 177.103 176.870 -0.052 0.000 1.023 290 L CA -0.272 54.528 54.840 -0.066 0.000 0.819 290 L CB 1.369 43.393 42.059 -0.059 0.000 1.212 290 L HN 0.815 nan 8.230 nan 0.000 0.420 291 M N 2.828 122.402 119.600 -0.042 0.000 2.228 291 M HA 0.151 4.630 4.480 -0.001 0.000 0.351 291 M C 0.082 176.362 176.300 -0.033 0.000 1.233 291 M CA 0.525 55.809 55.300 -0.027 0.000 1.129 291 M CB 0.950 33.545 32.600 -0.009 0.000 1.604 291 M HN 0.637 nan 8.290 nan 0.000 0.457 292 S N 2.624 118.304 115.700 -0.033 0.000 2.473 292 S HA 0.253 4.723 4.470 -0.001 0.000 0.307 292 S C 0.550 175.124 174.600 -0.042 0.000 1.094 292 S CA -0.778 57.403 58.200 -0.030 0.000 1.070 292 S CB 1.134 64.320 63.200 -0.023 0.000 1.019 292 S HN 0.846 nan 8.310 nan 0.000 0.480 293 E N 2.245 122.424 120.200 -0.034 0.000 2.478 293 E HA 0.037 4.387 4.350 -0.001 0.000 0.198 293 E C -0.247 176.317 176.600 -0.060 0.000 1.046 293 E CA 0.466 56.842 56.400 -0.040 0.000 0.870 293 E CB 0.131 29.816 29.700 -0.024 0.000 0.818 293 E HN 0.405 nan 8.360 nan 0.000 0.527 294 D N 0.184 120.547 120.400 -0.062 0.000 2.634 294 D HA 0.052 4.691 4.640 -0.001 0.000 0.236 294 D C 0.024 176.285 176.300 -0.066 0.000 1.323 294 D CA -0.392 53.555 54.000 -0.088 0.000 0.884 294 D CB 0.148 40.929 40.800 -0.032 0.000 1.496 294 D HN 0.180 nan 8.370 nan 0.000 0.525 295 I N 2.140 122.633 120.570 -0.129 0.000 2.423 295 I HA -0.169 4.001 4.170 -0.001 0.000 0.254 295 I C 1.335 177.515 176.117 0.105 0.000 1.151 295 I CA 1.022 62.294 61.300 -0.047 0.000 1.421 295 I CB 0.063 38.016 38.000 -0.078 0.000 1.079 295 I HN 0.304 nan 8.210 nan 0.000 0.431 296 F N 0.505 120.428 119.950 -0.045 0.000 2.146 296 F HA -0.213 4.314 4.527 -0.001 0.000 0.298 296 F C 2.785 178.546 175.800 -0.065 0.000 1.096 296 F CA 0.791 58.755 58.000 -0.061 0.000 1.275 296 F CB -0.382 38.589 39.000 -0.048 0.000 1.008 296 F HN 0.039 nan 8.300 nan 0.000 0.480 297 R N 0.577 121.171 120.500 0.158 0.000 2.075 297 R HA -0.126 4.213 4.340 -0.001 0.000 0.232 297 R C 1.948 178.271 176.300 0.039 0.000 1.126 297 R CA 1.918 58.060 56.100 0.070 0.000 0.963 297 R CB -0.589 29.748 30.300 0.062 0.000 0.858 297 R HN 0.085 nan 8.270 nan 0.000 0.435 298 T N 1.852 116.442 114.554 0.060 0.000 2.788 298 T HA -0.072 4.277 4.350 -0.001 0.000 0.268 298 T C 1.678 176.397 174.700 0.031 0.000 1.044 298 T CA 0.893 63.040 62.100 0.079 0.000 1.139 298 T CB -0.023 68.895 68.868 0.083 0.000 0.867 298 T HN 0.111 nan 8.240 nan 0.000 0.454 299 L N 0.742 121.953 121.223 -0.019 0.000 2.156 299 L HA 0.078 4.417 4.340 -0.001 0.000 0.208 299 L C 2.581 179.360 176.870 -0.152 0.000 1.095 299 L CA 1.454 56.208 54.840 -0.144 0.000 0.770 299 L CB -0.831 41.100 42.059 -0.212 0.000 0.914 299 L HN 0.263 nan 8.230 nan 0.000 0.439 300 R N -0.350 120.085 120.500 -0.108 0.000 2.066 300 R HA -0.140 4.200 4.340 -0.001 0.000 0.232 300 R C 2.065 178.266 176.300 -0.166 0.000 1.131 300 R CA 0.924 56.950 56.100 -0.124 0.000 0.955 300 R CB -0.026 30.218 30.300 -0.093 0.000 0.851 300 R HN 0.319 nan 8.270 nan 0.000 0.432 301 E N 0.612 120.681 120.200 -0.218 0.000 2.077 301 E HA -0.165 4.185 4.350 -0.001 0.000 0.193 301 E C 2.031 178.350 176.600 -0.468 0.000 0.989 301 E CA 1.330 57.453 56.400 -0.462 0.000 0.800 301 E CB -0.133 29.144 29.700 -0.704 0.000 0.746 301 E HN 0.371 nan 8.360 nan 0.000 0.452 302 M N 0.014 119.503 119.600 -0.185 0.000 2.132 302 M HA -0.101 4.378 4.480 -0.001 0.000 0.263 302 M C 2.348 178.714 176.300 0.109 0.000 1.065 302 M CA 1.275 56.607 55.300 0.053 0.000 1.122 302 M CB -0.245 32.578 32.600 0.370 0.000 1.365 302 M HN -0.030 nan 8.290 nan 0.000 0.411 303 R N 0.306 120.848 120.500 0.069 0.000 2.120 303 R HA -0.116 4.224 4.340 -0.001 0.000 0.234 303 R C 2.105 178.397 176.300 -0.012 0.000 1.123 303 R CA 1.154 57.291 56.100 0.063 0.000 0.975 303 R CB -0.243 30.021 30.300 -0.059 0.000 0.866 303 R HN 0.391 nan 8.270 nan 0.000 0.446 304 K N 0.267 120.611 120.400 -0.094 0.000 2.147 304 K HA -0.133 4.187 4.320 -0.001 0.000 0.205 304 K C 1.827 178.375 176.600 -0.087 0.000 1.049 304 K CA 1.262 57.489 56.287 -0.100 0.000 0.936 304 K CB 0.027 32.432 32.500 -0.158 0.000 0.722 304 K HN 0.131 nan 8.250 nan 0.000 0.446 305 R N -0.151 120.254 120.500 -0.158 0.000 2.334 305 R HA 0.140 4.480 4.340 -0.001 0.000 0.216 305 R C 1.979 178.244 176.300 -0.058 0.000 0.905 305 R CA -0.039 55.962 56.100 -0.166 0.000 1.064 305 R CB 0.325 30.293 30.300 -0.553 0.000 1.046 305 R HN 0.003 nan 8.270 nan 0.000 0.508 306 S N 0.787 116.483 115.700 -0.005 0.000 2.369 306 S HA -0.182 4.288 4.470 -0.001 0.000 0.225 306 S C 1.628 176.229 174.600 0.001 0.000 1.043 306 S CA 1.926 60.136 58.200 0.017 0.000 1.074 306 S CB -0.131 63.119 63.200 0.083 0.000 0.962 306 S HN 0.279 nan 8.310 nan 0.000 0.433 307 S N 1.123 116.836 115.700 0.022 0.000 2.593 307 S HA 0.223 4.693 4.470 -0.001 0.000 0.217 307 S C 0.956 175.580 174.600 0.040 0.000 0.966 307 S CA 0.102 58.316 58.200 0.022 0.000 0.914 307 S CB -0.328 62.885 63.200 0.023 0.000 0.776 307 S HN 0.666 nan 8.310 nan 0.000 0.523 308 I N -2.906 117.712 120.570 0.079 0.000 3.283 308 I HA 0.661 4.831 4.170 -0.001 0.000 0.342 308 I C 0.795 177.057 176.117 0.241 0.000 1.510 308 I CA -0.429 60.956 61.300 0.142 0.000 1.006 308 I CB 0.042 38.155 38.000 0.189 0.000 1.596 308 I HN 0.144 nan 8.210 nan 0.000 0.509 309 G N 0.669 109.542 108.800 0.121 0.000 2.213 309 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.226 309 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.226 309 G C 0.531 175.437 174.900 0.010 0.000 0.992 309 G CA -0.269 44.901 45.100 0.117 0.000 0.632 309 G HN 0.835 nan 8.290 nan 0.000 0.511 310 G N -0.488 108.268 108.800 -0.073 0.000 2.582 310 G HA2 0.620 4.579 3.960 -0.001 0.000 0.232 310 G HA3 0.620 4.579 3.960 -0.001 0.000 0.232 310 G C -0.315 174.268 174.900 -0.528 0.000 1.458 310 G CA -0.793 44.121 45.100 -0.310 0.000 1.062 310 G HN 0.326 nan 8.290 nan 0.000 0.566 311 F N -0.117 119.736 119.950 -0.160 0.000 2.458 311 F HA 0.382 4.909 4.527 -0.001 0.000 0.330 311 F C -0.083 175.530 175.800 -0.311 0.000 1.082 311 F CA -0.771 57.076 58.000 -0.256 0.000 0.995 311 F CB 1.924 40.701 39.000 -0.371 0.000 1.170 311 F HN 0.136 nan 8.300 nan 0.000 0.478 312 D N 1.341 121.682 120.400 -0.098 0.000 2.294 312 D HA 0.379 5.018 4.640 -0.001 0.000 0.250 312 D C -0.779 175.340 176.300 -0.302 0.000 1.058 312 D CA -0.005 53.935 54.000 -0.099 0.000 0.950 312 D CB 1.128 41.922 40.800 -0.011 0.000 1.158 312 D HN 0.141 nan 8.370 nan 0.000 0.453 313 F N -0.014 119.974 119.950 0.063 0.000 2.523 313 F HA 0.390 4.916 4.527 -0.001 0.000 0.329 313 F C 0.915 176.736 175.800 0.034 0.000 1.061 313 F CA -1.086 56.947 58.000 0.055 0.000 0.967 313 F CB 0.997 40.018 39.000 0.036 0.000 1.218 313 F HN -0.075 nan 8.300 nan 0.000 0.480 314 M N 1.815 121.542 119.600 0.212 0.000 2.232 314 M HA 0.213 4.693 4.480 -0.001 0.000 0.321 314 M C -2.270 174.085 176.300 0.092 0.000 1.101 314 M CA -1.391 53.966 55.300 0.095 0.000 1.181 314 M CB -0.317 32.314 32.600 0.052 0.000 1.432 314 M HN 0.197 nan 8.290 nan 0.000 0.457 315 P HA 0.050 nan 4.420 nan 0.000 0.264 315 P C -0.756 176.554 177.300 0.016 0.000 1.193 315 P CA 0.256 63.371 63.100 0.025 0.000 0.763 315 P CB 0.385 32.086 31.700 0.002 0.000 0.810 316 S N 4.710 120.424 115.700 0.023 0.000 2.569 316 S HA 0.148 4.618 4.470 -0.001 0.000 0.274 316 S C -1.889 172.717 174.600 0.010 0.000 1.353 316 S CA -0.631 57.585 58.200 0.026 0.000 1.023 316 S CB -0.760 62.463 63.200 0.039 0.000 0.876 316 S HN 0.396 nan 8.310 nan 0.000 0.540 317 P HA 0.326 nan 4.420 nan 0.000 0.272 317 P C -2.422 174.933 177.300 0.091 0.000 1.230 317 P CA -1.140 61.900 63.100 -0.101 0.000 0.788 317 P CB -0.314 31.070 31.700 -0.525 0.000 0.949 318 P HA 0.105 nan 4.420 nan 0.000 0.273 318 P C -1.923 175.501 177.300 0.208 0.000 1.250 318 P CA -1.072 62.087 63.100 0.099 0.000 0.793 318 P CB -0.600 31.125 31.700 0.042 0.000 1.011 319 P HA -0.174 nan 4.420 nan 0.000 0.218 319 P C 1.351 178.762 177.300 0.184 0.000 1.149 319 P CA 1.738 64.965 63.100 0.212 0.000 0.817 319 P CB -0.555 31.208 31.700 0.104 0.000 0.785 320 T N -3.558 111.061 114.554 0.110 0.000 2.759 320 T HA -0.276 4.074 4.350 -0.001 0.000 0.269 320 T C 1.805 176.523 174.700 0.030 0.000 1.042 320 T CA 1.094 63.228 62.100 0.058 0.000 1.140 320 T CB -1.612 67.275 68.868 0.033 0.000 0.864 320 T HN 0.082 nan 8.240 nan 0.000 0.455 321 Y N 1.336 121.574 120.300 -0.103 0.000 2.274 321 Y HA -0.110 4.440 4.550 -0.001 0.000 0.290 321 Y C 1.902 177.573 175.900 -0.382 0.000 1.145 321 Y CA 0.950 58.890 58.100 -0.267 0.000 1.203 321 Y CB -0.446 37.777 38.460 -0.395 0.000 0.984 321 Y HN 0.267 nan 8.280 nan 0.000 0.533 322 Y N -0.054 120.291 120.300 0.076 0.000 2.457 322 Y HA -0.124 4.426 4.550 -0.001 0.000 0.292 322 Y C 2.367 178.234 175.900 -0.055 0.000 1.125 322 Y CA 1.086 59.186 58.100 0.000 0.000 1.254 322 Y CB -0.260 38.239 38.460 0.065 0.000 1.012 322 Y HN 0.195 nan 8.280 nan 0.000 0.555 323 Q N 0.192 120.018 119.800 0.043 0.000 2.083 323 Q HA -0.157 4.182 4.340 -0.001 0.000 0.198 323 Q C 1.486 177.456 176.000 -0.050 0.000 0.969 323 Q CA 1.551 57.361 55.803 0.011 0.000 0.838 323 Q CB -0.318 28.428 28.738 0.013 0.000 0.900 323 Q HN 0.648 nan 8.270 nan 0.000 0.436 324 N N 0.283 118.911 118.700 -0.119 0.000 2.396 324 N HA -0.087 4.653 4.740 -0.001 0.000 0.180 324 N C 1.508 176.894 175.510 -0.206 0.000 1.028 324 N CA 0.062 53.020 53.050 -0.154 0.000 0.893 324 N CB 0.100 38.478 38.487 -0.182 0.000 0.967 324 N HN 0.055 nan 8.380 nan 0.000 0.440 325 L N 1.762 122.821 121.223 -0.273 0.000 2.156 325 L HA -0.027 4.313 4.340 -0.001 0.000 0.208 325 L C 2.066 178.882 176.870 -0.091 0.000 1.095 325 L CA 1.574 56.266 54.840 -0.247 0.000 0.770 325 L CB -0.305 41.590 42.059 -0.274 0.000 0.914 325 L HN -0.066 nan 8.230 nan 0.000 0.439 326 K N -0.729 119.642 120.400 -0.049 0.000 2.211 326 K HA -0.144 4.175 4.320 -0.001 0.000 0.203 326 K C 1.875 178.462 176.600 -0.022 0.000 1.050 326 K CA 1.248 57.526 56.287 -0.014 0.000 0.945 326 K CB 0.112 32.612 32.500 0.000 0.000 0.732 326 K HN 0.294 nan 8.250 nan 0.000 0.451 327 K N -0.259 120.118 120.400 -0.040 0.000 2.262 327 K HA -0.021 4.299 4.320 -0.001 0.000 0.200 327 K C 1.891 178.471 176.600 -0.033 0.000 1.049 327 K CA 0.749 57.017 56.287 -0.032 0.000 0.979 327 K CB 0.267 32.746 32.500 -0.033 0.000 0.773 327 K HN 0.212 nan 8.250 nan 0.000 0.474 328 R N 0.480 120.950 120.500 -0.050 0.000 2.223 328 R HA 0.039 4.378 4.340 -0.001 0.000 0.198 328 R C 1.504 177.790 176.300 -0.023 0.000 0.984 328 R CA 0.842 56.918 56.100 -0.040 0.000 1.018 328 R CB 0.048 30.313 30.300 -0.058 0.000 0.945 328 R HN 0.091 nan 8.270 nan 0.000 0.479 329 V N -3.321 116.580 119.914 -0.021 0.000 3.252 329 V HA 0.462 4.582 4.120 -0.001 0.000 0.320 329 V C 1.543 177.642 176.094 0.008 0.000 1.459 329 V CA 0.106 62.405 62.300 -0.001 0.000 1.095 329 V CB 0.576 32.405 31.823 0.009 0.000 0.997 329 V HN 0.175 nan 8.190 nan 0.000 0.469 330 G N 2.277 111.078 108.800 0.002 0.000 2.532 330 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.222 330 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.222 330 G C 1.062 175.968 174.900 0.011 0.000 1.102 330 G CA 1.499 46.604 45.100 0.008 0.000 0.742 330 G HN 0.773 nan 8.290 nan 0.000 0.577 331 D N -0.082 120.323 120.400 0.008 0.000 2.333 331 D HA 0.002 4.642 4.640 -0.001 0.000 0.208 331 D C 2.103 178.409 176.300 0.010 0.000 0.984 331 D CA 0.407 54.412 54.000 0.008 0.000 0.873 331 D CB -0.129 40.674 40.800 0.005 0.000 0.935 331 D HN 0.324 nan 8.370 nan 0.000 0.521 332 V N 0.173 120.095 119.914 0.014 0.000 3.085 332 V HA 0.172 4.291 4.120 -0.001 0.000 0.245 332 V C 1.004 177.112 176.094 0.023 0.000 1.114 332 V CA 0.371 62.680 62.300 0.014 0.000 1.108 332 V CB 0.274 32.104 31.823 0.013 0.000 0.798 332 V HN 0.093 nan 8.190 nan 0.000 0.471 333 L N 0.915 122.159 121.223 0.035 0.000 2.409 333 L HA 0.513 4.852 4.340 -0.001 0.000 0.272 333 L C 0.328 177.229 176.870 0.053 0.000 0.980 333 L CA -0.365 54.509 54.840 0.057 0.000 0.826 333 L CB 2.197 44.308 42.059 0.088 0.000 1.268 333 L HN 0.203 nan 8.230 nan 0.000 0.407 334 S N -0.113 115.618 115.700 0.053 0.000 2.598 334 S HA 0.045 4.515 4.470 -0.001 0.000 0.256 334 S C 0.540 175.165 174.600 0.042 0.000 1.350 334 S CA -0.322 57.902 58.200 0.040 0.000 0.984 334 S CB 0.937 64.159 63.200 0.036 0.000 0.930 334 S HN 0.651 nan 8.310 nan 0.000 0.577 335 D N 0.535 120.951 120.400 0.027 0.000 2.144 335 D HA -0.071 4.568 4.640 -0.001 0.000 0.199 335 D C 1.467 177.774 176.300 0.011 0.000 0.984 335 D CA 1.487 55.499 54.000 0.020 0.000 0.834 335 D CB -0.214 40.592 40.800 0.010 0.000 0.955 335 D HN 0.592 nan 8.370 nan 0.000 0.465 336 D N 0.137 120.544 120.400 0.011 0.000 2.117 336 D HA -0.124 4.515 4.640 -0.001 0.000 0.198 336 D C 1.886 178.183 176.300 -0.006 0.000 0.982 336 D CA 0.737 54.733 54.000 -0.005 0.000 0.828 336 D CB -0.102 40.699 40.800 0.002 0.000 0.967 336 D HN 0.321 nan 8.370 nan 0.000 0.464 337 Q N 0.243 120.077 119.800 0.057 0.000 2.224 337 Q HA -0.022 4.318 4.340 -0.001 0.000 0.203 337 Q C 2.332 178.395 176.000 0.105 0.000 0.970 337 Q CA 0.566 56.455 55.803 0.143 0.000 0.865 337 Q CB 0.162 29.032 28.738 0.219 0.000 0.922 337 Q HN 0.349 nan 8.270 nan 0.000 0.445 338 I N 0.258 120.870 120.570 0.070 0.000 2.500 338 I HA -0.223 3.947 4.170 -0.001 0.000 0.252 338 I C 1.873 177.977 176.117 -0.022 0.000 1.142 338 I CA 0.986 62.336 61.300 0.085 0.000 1.451 338 I CB -0.085 37.973 38.000 0.098 0.000 1.093 338 I HN 0.112 nan 8.210 nan 0.000 0.430 339 K N 0.600 120.951 120.400 -0.082 0.000 2.103 339 K HA -0.185 4.134 4.320 -0.001 0.000 0.204 339 K C 1.974 178.414 176.600 -0.268 0.000 1.052 339 K CA 1.083 57.273 56.287 -0.162 0.000 0.945 339 K CB -0.071 32.359 32.500 -0.116 0.000 0.722 339 K HN 0.254 nan 8.250 nan 0.000 0.443 340 E N 0.372 120.385 120.200 -0.312 0.000 2.150 340 E HA -0.159 4.190 4.350 -0.001 0.000 0.193 340 E C 1.672 177.902 176.600 -0.617 0.000 0.985 340 E CA 0.851 56.927 56.400 -0.540 0.000 0.814 340 E CB 0.097 29.316 29.700 -0.802 0.000 0.752 340 E HN 0.287 nan 8.360 nan 0.000 0.466 341 C N 0.417 119.482 119.300 -0.391 0.000 2.457 341 C HA -0.031 4.428 4.460 -0.001 0.000 0.278 341 C C 2.491 177.291 174.990 -0.318 0.000 1.309 341 C CA 0.685 59.618 59.018 -0.142 0.000 1.735 341 C CB -0.687 27.175 27.740 0.204 0.000 1.992 341 C HN 0.571 nan 8.230 nan 0.000 0.493 342 E N 1.098 120.903 120.200 -0.658 0.000 2.107 342 E HA -0.187 4.163 4.350 -0.001 0.000 0.191 342 E C 1.921 178.185 176.600 -0.559 0.000 0.982 342 E CA 1.078 56.782 56.400 -1.159 0.000 0.809 342 E CB -0.033 29.034 29.700 -1.055 0.000 0.756 342 E HN 0.631 nan 8.360 nan 0.000 0.459 343 E N 0.150 120.112 120.200 -0.397 0.000 2.110 343 E HA -0.149 4.200 4.350 -0.001 0.000 0.193 343 E C 1.866 178.318 176.600 -0.246 0.000 0.988 343 E CA 0.967 57.199 56.400 -0.280 0.000 0.804 343 E CB 0.051 29.596 29.700 -0.258 0.000 0.745 343 E HN 0.337 nan 8.360 nan 0.000 0.458 344 L N -0.653 120.408 121.223 -0.270 0.000 2.592 344 L HA 0.217 4.557 4.340 -0.001 0.000 0.227 344 L C 1.283 178.032 176.870 -0.202 0.000 1.127 344 L CA 0.210 54.908 54.840 -0.236 0.000 0.884 344 L CB 0.180 42.099 42.059 -0.234 0.000 1.065 344 L HN 0.271 nan 8.230 nan 0.000 0.457 345 G N 1.194 109.903 108.800 -0.152 0.000 2.153 345 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.252 345 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.252 345 G C 0.301 175.234 174.900 0.055 0.000 0.994 345 G CA -0.098 44.986 45.100 -0.026 0.000 0.698 345 G HN 0.321 nan 8.290 nan 0.000 0.521 346 I N 0.419 121.030 120.570 0.067 0.000 2.556 346 I HA 0.255 4.425 4.170 -0.001 0.000 0.284 346 I C 0.971 177.237 176.117 0.249 0.000 1.114 346 I CA -0.491 60.880 61.300 0.119 0.000 1.418 346 I CB 0.582 38.675 38.000 0.154 0.000 1.394 346 I HN -0.027 nan 8.210 nan 0.000 0.552 347 L N 7.189 128.493 121.223 0.135 0.000 2.399 347 L HA 0.533 4.872 4.340 -0.001 0.000 0.265 347 L C -0.123 176.880 176.870 0.222 0.000 1.089 347 L CA -0.220 54.710 54.840 0.151 0.000 0.802 347 L CB 1.402 43.480 42.059 0.032 0.000 1.180 347 L HN 0.271 nan 8.230 nan 0.000 0.454 348 V N 0.091 120.184 119.914 0.298 0.000 3.007 348 V HA 0.711 4.830 4.120 -0.001 0.000 0.311 348 V C -1.106 175.081 176.094 0.156 0.000 1.120 348 V CA -0.573 61.838 62.300 0.185 0.000 0.980 348 V CB 2.203 34.115 31.823 0.149 0.000 1.033 348 V HN 0.783 nan 8.190 nan 0.000 0.429 349 D N 1.107 121.571 120.400 0.106 0.000 2.671 349 D HA 0.727 5.366 4.640 -0.001 0.000 0.273 349 D C -1.292 175.046 176.300 0.062 0.000 1.264 349 D CA -0.551 53.505 54.000 0.093 0.000 0.788 349 D CB 2.205 43.083 40.800 0.129 0.000 1.324 349 D HN 0.772 nan 8.370 nan 0.000 0.424 350 R N 0.558 121.092 120.500 0.056 0.000 2.690 350 R HA 0.638 4.978 4.340 -0.001 0.000 0.269 350 R C -1.240 175.085 176.300 0.043 0.000 1.037 350 R CA -0.711 55.412 56.100 0.038 0.000 0.877 350 R CB 1.225 31.541 30.300 0.026 0.000 1.255 350 R HN 0.232 nan 8.270 nan 0.000 0.467 351 D N -0.031 120.389 120.400 0.033 0.000 2.730 351 D HA 0.282 4.922 4.640 -0.001 0.000 0.202 351 D C -1.013 175.300 176.300 0.022 0.000 1.283 351 D CA 0.074 54.095 54.000 0.036 0.000 1.159 351 D CB 0.301 41.126 40.800 0.041 0.000 1.167 351 D HN 0.595 nan 8.370 nan 0.000 0.557 352 D N -1.105 119.305 120.400 0.017 0.000 2.433 352 D HA 0.377 5.017 4.640 -0.001 0.000 0.236 352 D C -0.071 176.234 176.300 0.009 0.000 1.026 352 D CA -0.206 53.799 54.000 0.009 0.000 0.884 352 D CB 1.493 42.295 40.800 0.003 0.000 1.384 352 D HN 0.282 nan 8.370 nan 0.000 0.477 353 Q N -0.055 119.749 119.800 0.005 0.000 5.088 353 Q HA -0.135 4.205 4.340 -0.001 0.000 0.255 353 Q C -0.014 175.988 176.000 0.004 0.000 1.881 353 Q CA 1.289 57.095 55.803 0.005 0.000 0.685 353 Q CB -1.347 27.396 28.738 0.009 0.000 0.549 353 Q HN 0.658 nan 8.270 nan 0.000 0.884 354 G N -1.188 107.615 108.800 0.005 0.000 2.645 354 G HA2 0.641 4.601 3.960 -0.001 0.000 0.292 354 G HA3 0.641 4.601 3.960 -0.001 0.000 0.292 354 G C -1.298 173.602 174.900 0.001 0.000 1.415 354 G CA 0.262 45.362 45.100 -0.000 0.000 0.785 354 G HN -0.034 nan 8.290 nan 0.000 0.483 355 T N -0.136 114.415 114.554 -0.004 0.000 2.906 355 T HA 0.673 5.023 4.350 -0.001 0.000 0.295 355 T C -0.960 173.735 174.700 -0.008 0.000 1.061 355 T CA -0.366 61.736 62.100 0.002 0.000 1.000 355 T CB 1.593 70.465 68.868 0.007 0.000 1.103 355 T HN 1.108 nan 8.240 nan 0.000 0.486 356 L N 0.249 121.475 121.223 0.005 0.000 2.422 356 L HA 0.814 5.154 4.340 -0.001 0.000 0.264 356 L C -1.546 175.338 176.870 0.024 0.000 0.984 356 L CA -0.923 53.916 54.840 -0.002 0.000 0.819 356 L CB 1.222 43.272 42.059 -0.015 0.000 1.330 356 L HN 0.497 nan 8.230 nan 0.000 0.410 357 L N 3.290 124.518 121.223 0.008 0.000 2.307 357 L HA 0.745 5.084 4.340 -0.001 0.000 0.284 357 L C -0.420 176.448 176.870 -0.003 0.000 1.023 357 L CA -0.464 54.394 54.840 0.029 0.000 0.810 357 L CB 1.675 43.741 42.059 0.013 0.000 1.231 357 L HN 0.939 nan 8.230 nan 0.000 0.423 358 Q N 3.551 123.343 119.800 -0.012 0.000 2.462 358 Q HA 0.828 5.168 4.340 -0.001 0.000 0.285 358 Q C -1.438 174.426 176.000 -0.226 0.000 1.035 358 Q CA -0.878 54.840 55.803 -0.141 0.000 0.799 358 Q CB 3.410 32.066 28.738 -0.136 0.000 1.452 358 Q HN 0.651 nan 8.270 nan 0.000 0.404 359 I N 0.692 120.989 120.570 -0.455 0.000 2.908 359 I HA 0.588 4.758 4.170 -0.001 0.000 0.300 359 I C -1.934 173.847 176.117 -0.559 0.000 1.385 359 I CA -1.016 60.078 61.300 -0.343 0.000 1.004 359 I CB 2.124 40.048 38.000 -0.126 0.000 1.309 359 I HN 0.730 nan 8.210 nan 0.000 0.449 360 F N 2.988 123.061 119.950 0.206 0.000 2.540 360 F HA 0.531 5.057 4.527 -0.001 0.000 0.317 360 F C 0.510 176.432 175.800 0.204 0.000 1.104 360 F CA -0.633 57.492 58.000 0.207 0.000 0.913 360 F CB 2.165 41.210 39.000 0.074 0.000 1.170 360 F HN 0.403 nan 8.300 nan 0.000 0.450 361 T N -0.810 113.882 114.554 0.231 0.000 2.816 361 T HA 0.446 4.796 4.350 -0.001 0.000 0.282 361 T C -0.039 174.685 174.700 0.039 0.000 0.993 361 T CA -0.985 61.056 62.100 -0.097 0.000 0.994 361 T CB 0.977 69.684 68.868 -0.269 0.000 1.025 361 T HN 0.501 nan 8.240 nan 0.000 0.529 362 K N 1.302 121.689 120.400 -0.021 0.000 2.120 362 K HA 0.314 4.634 4.320 -0.001 0.000 0.245 362 K C -2.443 174.222 176.600 0.109 0.000 1.024 362 K CA -1.799 54.497 56.287 0.014 0.000 0.906 362 K CB -0.008 32.497 32.500 0.008 0.000 1.051 362 K HN 0.420 nan 8.250 nan 0.000 0.491 363 P HA -0.112 nan 4.420 nan 0.000 0.263 363 P C 0.361 177.803 177.300 0.236 0.000 1.168 363 P CA 0.574 63.805 63.100 0.219 0.000 0.759 363 P CB 0.343 32.134 31.700 0.153 0.000 0.782 364 L N 1.264 122.672 121.223 0.307 0.000 2.201 364 L HA 0.030 4.369 4.340 -0.001 0.000 0.212 364 L C 1.445 178.530 176.870 0.359 0.000 1.105 364 L CA 1.238 56.308 54.840 0.383 0.000 0.775 364 L CB -0.790 41.558 42.059 0.481 0.000 0.913 364 L HN 0.508 nan 8.230 nan 0.000 0.440 365 G N -1.640 107.332 108.800 0.287 0.000 3.135 365 G HA2 0.199 4.159 3.960 -0.001 0.000 0.278 365 G HA3 0.199 4.159 3.960 -0.001 0.000 0.278 365 G C -0.329 174.664 174.900 0.156 0.000 1.302 365 G CA -0.223 45.018 45.100 0.236 0.000 0.880 365 G HN -0.164 nan 8.290 nan 0.000 0.574 366 D N 0.166 120.646 120.400 0.133 0.000 2.116 366 D HA -0.059 4.580 4.640 -0.001 0.000 0.193 366 D C 1.098 177.440 176.300 0.070 0.000 0.998 366 D CA 0.974 55.030 54.000 0.093 0.000 0.836 366 D CB 0.007 40.860 40.800 0.089 0.000 0.951 366 D HN 0.230 nan 8.370 nan 0.000 0.449 367 R N 1.045 121.585 120.500 0.066 0.000 2.490 367 R HA 0.238 4.577 4.340 -0.001 0.000 0.278 367 R C -2.081 174.229 176.300 0.016 0.000 1.069 367 R CA -1.314 54.811 56.100 0.042 0.000 1.080 367 R CB 0.247 30.566 30.300 0.032 0.000 1.030 367 R HN 0.020 nan 8.270 nan 0.000 0.491 368 P HA 0.006 nan 4.420 nan 0.000 0.230 368 P C -0.192 177.110 177.300 0.004 0.000 1.791 368 P CA 0.147 63.199 63.100 -0.081 0.000 1.020 368 P CB 0.358 31.897 31.700 -0.267 0.000 1.977 369 T N -0.608 114.004 114.554 0.097 0.000 2.995 369 T HA 0.215 4.565 4.350 -0.001 0.000 0.170 369 T C 0.758 175.766 174.700 0.513 0.000 0.844 369 T CA -0.269 61.920 62.100 0.149 0.000 1.137 369 T CB -0.459 68.307 68.868 -0.170 0.000 2.193 369 T HN 0.111 nan 8.240 nan 0.000 0.384 370 I N 2.911 123.728 120.570 0.412 0.000 2.588 370 I HA 0.484 4.653 4.170 -0.001 0.000 0.283 370 I C -0.905 175.468 176.117 0.426 0.000 1.119 370 I CA -0.883 60.647 61.300 0.383 0.000 1.419 370 I CB 0.313 38.498 38.000 0.308 0.000 1.394 370 I HN 0.590 nan 8.210 nan 0.000 0.562 371 F N 5.975 126.071 119.950 0.242 0.000 2.664 371 F HA 0.702 5.229 4.527 -0.001 0.000 0.317 371 F C -1.402 174.511 175.800 0.189 0.000 1.108 371 F CA -1.118 56.989 58.000 0.178 0.000 0.957 371 F CB 0.800 39.882 39.000 0.138 0.000 1.365 371 F HN 0.109 nan 8.300 nan 0.000 0.475 372 I N 0.870 121.586 120.570 0.243 0.000 2.648 372 I HA 0.404 4.574 4.170 -0.001 0.000 0.304 372 I C -0.998 175.248 176.117 0.215 0.000 1.009 372 I CA -0.741 60.628 61.300 0.116 0.000 1.114 372 I CB 2.182 40.157 38.000 -0.041 0.000 1.293 372 I HN 0.814 nan 8.210 nan 0.000 0.449 373 E N 5.754 126.019 120.200 0.109 0.000 2.234 373 E HA 0.426 4.776 4.350 -0.001 0.000 0.266 373 E C -1.596 174.956 176.600 -0.080 0.000 0.877 373 E CA -0.672 55.706 56.400 -0.038 0.000 0.758 373 E CB 1.565 31.266 29.700 0.002 0.000 1.170 373 E HN 0.320 nan 8.360 nan 0.000 0.415 374 I N 5.876 126.377 120.570 -0.114 0.000 2.336 374 I HA 0.462 4.631 4.170 -0.001 0.000 0.292 374 I C 0.126 176.183 176.117 -0.100 0.000 0.991 374 I CA -0.684 60.582 61.300 -0.057 0.000 1.227 374 I CB 0.839 38.850 38.000 0.017 0.000 1.366 374 I HN 0.695 nan 8.210 nan 0.000 0.466 375 I N 5.021 125.554 120.570 -0.061 0.000 2.969 375 I HA 0.423 4.593 4.170 -0.001 0.000 0.307 375 I C -1.266 174.828 176.117 -0.039 0.000 1.149 375 I CA -0.475 60.797 61.300 -0.045 0.000 1.008 375 I CB 2.856 40.859 38.000 0.005 0.000 1.232 375 I HN 0.633 nan 8.210 nan 0.000 0.435 376 Q N 5.450 125.223 119.800 -0.044 0.000 2.268 376 Q HA 0.480 4.820 4.340 -0.001 0.000 0.266 376 Q C -1.746 174.222 176.000 -0.054 0.000 1.006 376 Q CA -0.787 54.980 55.803 -0.060 0.000 0.824 376 Q CB 2.116 30.793 28.738 -0.102 0.000 1.306 376 Q HN 0.608 nan 8.270 nan 0.000 0.424 377 R N 1.447 121.918 120.500 -0.048 0.000 2.532 377 R HA 0.636 4.976 4.340 -0.001 0.000 0.295 377 R C -0.954 175.319 176.300 -0.044 0.000 0.968 377 R CA -0.730 55.343 56.100 -0.044 0.000 0.916 377 R CB 1.856 32.129 30.300 -0.045 0.000 1.124 377 R HN 0.274 nan 8.270 nan 0.000 0.463 378 V N 2.094 121.986 119.914 -0.037 0.000 2.378 378 V HA 0.771 4.890 4.120 -0.001 0.000 0.288 378 V C 0.604 176.686 176.094 -0.020 0.000 1.016 378 V CA -0.216 62.065 62.300 -0.033 0.000 0.840 378 V CB 0.893 32.696 31.823 -0.033 0.000 0.994 378 V HN 1.106 nan 8.190 nan 0.000 0.431 379 G N 2.807 111.597 108.800 -0.017 0.000 2.306 379 G HA2 0.033 3.992 3.960 -0.001 0.000 0.262 379 G HA3 0.033 3.992 3.960 -0.001 0.000 0.262 379 G C -0.019 174.878 174.900 -0.005 0.000 1.263 379 G CA -0.184 44.910 45.100 -0.009 0.000 1.088 379 G HN 1.373 nan 8.290 nan 0.000 0.489 380 c N 0.441 119.042 118.600 0.001 0.000 3.744 380 c HA -0.085 4.485 4.570 -0.001 0.000 0.290 380 c C 1.323 175.417 174.090 0.006 0.000 1.385 380 c CA 1.058 57.391 56.329 0.007 0.000 2.099 380 c CB -2.739 39.781 42.510 0.017 0.000 1.359 380 c HN 0.720 nan 8.230 nan 0.000 0.629 392 S N 1.363 117.077 115.700 0.023 0.000 2.549 392 S HA 0.509 4.979 4.470 -0.001 0.000 0.279 392 S C 0.629 175.257 174.600 0.046 0.000 1.321 392 S CA 0.102 58.328 58.200 0.043 0.000 1.054 392 S CB 0.864 64.099 63.200 0.058 0.000 0.899 392 S HN 0.752 nan 8.310 nan 0.000 0.497 393 G N 1.202 110.033 108.800 0.052 0.000 2.414 393 G HA2 0.435 4.395 3.960 -0.001 0.000 0.236 393 G HA3 0.435 4.395 3.960 -0.001 0.000 0.236 393 G C 1.133 176.021 174.900 -0.020 0.000 1.293 393 G CA -0.256 44.850 45.100 0.010 0.000 0.869 393 G HN 2.190 nan 8.290 nan 0.000 0.556 394 G N -0.211 108.482 108.800 -0.178 0.000 2.153 394 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.252 394 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.252 394 G C 0.854 175.663 174.900 -0.152 0.000 0.994 394 G CA 0.474 45.342 45.100 -0.387 0.000 0.698 394 G HN 1.552 nan 8.290 nan 0.000 0.521 395 c N 0.754 119.314 118.600 -0.066 0.000 2.677 395 c HA 0.495 5.065 4.570 -0.001 0.000 0.398 395 c C 2.057 176.106 174.090 -0.069 0.000 1.378 395 c CA 1.726 58.041 56.329 -0.024 0.000 1.543 395 c CB -1.188 41.314 42.510 -0.013 0.000 2.356 395 c HN 2.211 nan 8.230 nan 0.000 0.609 396 G N 4.008 112.782 108.800 -0.043 0.000 2.218 396 G HA2 0.265 4.225 3.960 -0.001 0.000 0.216 396 G HA3 0.265 4.225 3.960 -0.001 0.000 0.216 396 G C 1.123 175.979 174.900 -0.074 0.000 0.994 396 G CA 0.644 45.717 45.100 -0.045 0.000 0.637 396 G HN 2.597 nan 8.290 nan 0.000 0.505 397 G N -0.899 107.784 108.800 -0.195 0.000 2.481 397 G HA2 0.152 4.112 3.960 -0.001 0.000 0.230 397 G HA3 0.152 4.112 3.960 -0.001 0.000 0.230 397 G C 0.150 174.615 174.900 -0.725 0.000 1.210 397 G CA 0.306 45.243 45.100 -0.273 0.000 0.936 397 G HN 1.151 nan 8.290 nan 0.000 0.583 398 F N 1.562 121.582 119.950 0.117 0.000 2.880 398 F HA 0.501 5.028 4.527 -0.001 0.000 0.328 398 F C 1.629 177.565 175.800 0.227 0.000 1.146 398 F CA 0.848 58.927 58.000 0.131 0.000 1.135 398 F CB 1.235 40.265 39.000 0.050 0.000 1.151 398 F HN 1.947 nan 8.300 nan 0.000 0.523 399 G N 0.891 109.870 108.800 0.299 0.000 2.137 399 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.237 399 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.237 399 G C 1.116 176.217 174.900 0.336 0.000 1.002 399 G CA 0.464 45.729 45.100 0.275 0.000 0.702 399 G HN 0.400 nan 8.290 nan 0.000 0.515 400 K N -0.032 120.621 120.400 0.422 0.000 2.152 400 K HA -0.014 4.306 4.320 -0.001 0.000 0.206 400 K C 2.679 179.551 176.600 0.453 0.000 1.048 400 K CA 1.183 57.797 56.287 0.546 0.000 0.933 400 K CB -0.238 32.453 32.500 0.318 0.000 0.721 400 K HN 0.435 nan 8.250 nan 0.000 0.447 401 G N 1.347 110.318 108.800 0.285 0.000 2.471 401 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.219 401 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.219 401 G C 1.284 176.321 174.900 0.228 0.000 1.125 401 G CA 0.420 45.649 45.100 0.216 0.000 0.775 401 G HN 0.208 nan 8.290 nan 0.000 0.548 402 N N 0.148 118.983 118.700 0.225 0.000 2.331 402 N HA -0.010 4.729 4.740 -0.001 0.000 0.180 402 N C 1.748 177.333 175.510 0.125 0.000 1.019 402 N CA 0.352 53.503 53.050 0.168 0.000 0.881 402 N CB -0.283 38.263 38.487 0.099 0.000 0.972 402 N HN 0.339 nan 8.380 nan 0.000 0.435 403 F N 0.823 120.836 119.950 0.106 0.000 2.126 403 F HA -0.169 4.357 4.527 -0.001 0.000 0.299 403 F C 2.791 178.656 175.800 0.107 0.000 1.096 403 F CA 1.196 59.242 58.000 0.077 0.000 1.255 403 F CB -0.406 38.624 39.000 0.049 0.000 0.997 403 F HN 0.012 nan 8.300 nan 0.000 0.479 404 S N -0.478 115.415 115.700 0.321 0.000 2.336 404 S HA -0.120 4.349 4.470 -0.001 0.000 0.216 404 S C 2.118 176.853 174.600 0.224 0.000 1.032 404 S CA 0.893 59.231 58.200 0.229 0.000 0.973 404 S CB -0.258 63.041 63.200 0.166 0.000 0.888 404 S HN 0.205 nan 8.310 nan 0.000 0.455 405 E N 1.381 121.702 120.200 0.203 0.000 2.130 405 E HA -0.144 4.205 4.350 -0.001 0.000 0.196 405 E C 2.097 178.845 176.600 0.248 0.000 0.998 405 E CA 0.836 57.353 56.400 0.195 0.000 0.806 405 E CB -0.622 29.195 29.700 0.195 0.000 0.738 405 E HN 0.494 nan 8.360 nan 0.000 0.459 406 L N -0.523 120.835 121.223 0.225 0.000 2.056 406 L HA -0.153 4.187 4.340 -0.001 0.000 0.207 406 L C 2.393 179.319 176.870 0.092 0.000 1.078 406 L CA 0.978 55.886 54.840 0.113 0.000 0.749 406 L CB -0.218 41.844 42.059 0.005 0.000 0.901 406 L HN 0.070 nan 8.230 nan 0.000 0.433 407 F N 0.207 120.194 119.950 0.062 0.000 2.206 407 F HA -0.091 4.435 4.527 -0.001 0.000 0.298 407 F C 1.110 176.941 175.800 0.051 0.000 1.090 407 F CA 0.899 58.928 58.000 0.050 0.000 1.323 407 F CB 0.297 39.330 39.000 0.056 0.000 1.028 407 F HN -0.031 nan 8.300 nan 0.000 0.492 408 K N 0.000 120.537 120.400 0.228 0.000 2.780 408 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 408 K CA 0.000 56.372 56.287 0.141 0.000 0.838 408 K CB 0.000 32.528 32.500 0.046 0.000 1.064 408 K HN 0.000 nan 8.250 nan 0.000 0.543