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 2owy_1_B DATA FIRST_RESID 1 DATA SEQUENCE MWFRNLLVYR LTQDLQLDAD SLEKALGEKS ARPCASQELT TYGFTAPFGK DATA SEQUENCE GPDAPLVHVS QDFFLISARK EERILPGSVV RDALKEKVDE IEAQQMRKVY DATA SEQUENCE KKERDQLKDE IVQTLLPRAF IRRSSTFAAI APSLGLILVD SASAKKAEDL DATA SEQUENCE LSTLREALGS LPVRPLSVKV APTATLTDWV KTQEAAGDFH VLDECELRDT DATA SEQUENCE HEDGGVVRCK RQDLTSEEIQ LHLTAGKLVT QLSLAWSDKL SFVLDDKLAV DATA SEQUENCE KRLRFEDLLQ EQAEKDGGED ALGQLDASFT LMMLTFAEFL PALFEALGGE DATA SEQUENCE EIPQGV 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.101 176.300 -0.331 0.000 1.140 1 M CA 0.000 55.145 55.300 -0.257 0.000 0.988 1 M CB 0.000 32.668 32.600 0.113 0.000 1.302 2 W N 4.557 125.841 121.300 -0.025 0.000 2.291 2 W HA 0.582 5.243 4.660 0.002 0.000 0.312 2 W C -0.196 176.516 176.519 0.322 0.000 1.061 2 W CA -0.745 56.564 57.345 -0.059 0.000 1.296 2 W CB 0.744 30.150 29.460 -0.091 0.000 1.223 2 W HN 0.323 nan 8.180 nan 0.000 0.421 3 F N 3.199 123.406 119.950 0.428 0.000 2.595 3 F HA 0.019 4.547 4.527 0.001 0.000 0.359 3 F C 1.659 177.732 175.800 0.455 0.000 1.147 3 F CA -0.012 58.248 58.000 0.433 0.000 1.341 3 F CB 0.628 39.935 39.000 0.511 0.000 1.104 3 F HN 0.375 nan 8.300 nan 0.000 0.603 4 R N 0.767 121.532 120.500 0.441 0.000 2.279 4 R HA 0.188 4.529 4.340 0.001 0.000 0.195 4 R C -0.295 176.152 176.300 0.245 0.000 0.905 4 R CA 0.156 56.440 56.100 0.308 0.000 1.044 4 R CB 0.344 30.777 30.300 0.221 0.000 1.056 4 R HN 0.510 nan 8.270 nan 0.000 0.535 5 N N 0.655 119.488 118.700 0.222 0.000 2.277 5 N HA 0.312 5.053 4.740 0.001 0.000 0.286 5 N C -1.875 173.752 175.510 0.194 0.000 1.140 5 N CA -0.608 52.551 53.050 0.181 0.000 0.799 5 N CB 2.834 41.391 38.487 0.117 0.000 1.596 5 N HN -0.128 nan 8.380 nan 0.000 0.473 6 L N 1.302 122.644 121.223 0.198 0.000 2.408 6 L HA 0.636 4.977 4.340 0.001 0.000 0.268 6 L C -1.776 175.182 176.870 0.146 0.000 0.986 6 L CA -0.456 54.498 54.840 0.191 0.000 0.820 6 L CB 1.639 43.809 42.059 0.185 0.000 1.303 6 L HN 0.476 nan 8.230 nan 0.000 0.411 7 L N 5.685 127.006 121.223 0.164 0.000 2.446 7 L HA 0.554 4.895 4.340 0.001 0.000 0.268 7 L C -1.003 176.006 176.870 0.232 0.000 0.975 7 L CA -0.753 54.191 54.840 0.175 0.000 0.848 7 L CB 2.079 44.306 42.059 0.281 0.000 1.225 7 L HN 0.346 nan 8.230 nan 0.000 0.410 8 V N 3.068 123.017 119.914 0.059 0.000 2.509 8 V HA 0.393 4.514 4.120 0.001 0.000 0.284 8 V C -0.855 175.190 176.094 -0.081 0.000 1.047 8 V CA -0.382 61.965 62.300 0.078 0.000 0.952 8 V CB 1.259 33.111 31.823 0.048 0.000 0.988 8 V HN 0.385 nan 8.190 nan 0.000 0.469 9 Y N 2.713 123.027 120.300 0.023 0.000 2.442 9 Y HA 0.584 5.135 4.550 0.002 0.000 0.344 9 Y C 0.259 176.161 175.900 0.003 0.000 0.976 9 Y CA -1.088 57.017 58.100 0.010 0.000 1.040 9 Y CB 1.547 40.026 38.460 0.032 0.000 1.228 9 Y HN 0.385 nan 8.280 nan 0.000 0.451 10 R N 2.939 123.494 120.500 0.091 0.000 2.265 10 R HA 0.344 4.685 4.340 0.001 0.000 0.314 10 R C -0.936 175.408 176.300 0.074 0.000 1.053 10 R CA -0.515 55.608 56.100 0.038 0.000 0.931 10 R CB 0.485 30.760 30.300 -0.041 0.000 1.024 10 R HN 0.776 nan 8.270 nan 0.000 0.457 11 L N 3.776 125.042 121.223 0.071 0.000 2.385 11 L HA 0.050 4.391 4.340 0.001 0.000 0.281 11 L C 1.865 178.762 176.870 0.044 0.000 1.106 11 L CA -0.011 54.871 54.840 0.069 0.000 0.856 11 L CB 1.088 43.192 42.059 0.075 0.000 1.186 11 L HN 0.778 nan 8.230 nan 0.000 0.453 12 T N -0.551 114.026 114.554 0.039 0.000 2.867 12 T HA -0.139 4.212 4.350 0.001 0.000 0.268 12 T C 1.222 175.936 174.700 0.022 0.000 1.057 12 T CA 1.062 63.177 62.100 0.024 0.000 1.136 12 T CB 0.089 68.971 68.868 0.022 0.000 0.874 12 T HN 0.660 nan 8.240 nan 0.000 0.466 13 Q N -0.259 119.558 119.800 0.029 0.000 2.211 13 Q HA 0.211 4.551 4.340 0.001 0.000 0.242 13 Q C 0.126 176.146 176.000 0.032 0.000 0.825 13 Q CA 0.206 56.025 55.803 0.026 0.000 0.951 13 Q CB 0.638 29.391 28.738 0.024 0.000 1.130 13 Q HN 0.480 nan 8.270 nan 0.000 0.496 14 D N 0.951 121.376 120.400 0.042 0.000 2.751 14 D HA -0.178 4.463 4.640 0.001 0.000 0.233 14 D C -0.938 175.390 176.300 0.047 0.000 1.149 14 D CA 0.307 54.337 54.000 0.050 0.000 0.682 14 D CB -0.925 39.902 40.800 0.044 0.000 1.068 14 D HN 0.236 nan 8.370 nan 0.000 0.429 15 L N 0.074 121.323 121.223 0.044 0.000 2.514 15 L HA 0.004 4.345 4.340 0.001 0.000 0.280 15 L C 1.457 178.355 176.870 0.048 0.000 1.223 15 L CA 0.378 55.241 54.840 0.038 0.000 0.864 15 L CB 0.245 42.323 42.059 0.032 0.000 1.118 15 L HN 0.301 nan 8.230 nan 0.000 0.494 16 Q N 1.991 121.816 119.800 0.041 0.000 2.428 16 Q HA 0.287 4.628 4.340 0.001 0.000 0.276 16 Q C -0.992 175.040 176.000 0.054 0.000 1.059 16 Q CA 0.037 55.870 55.803 0.049 0.000 0.923 16 Q CB 0.770 29.529 28.738 0.035 0.000 1.283 16 Q HN 0.423 nan 8.270 nan 0.000 0.447 17 L N 2.786 124.056 121.223 0.078 0.000 2.482 17 L HA 0.481 4.822 4.340 0.001 0.000 0.263 17 L C -1.864 175.042 176.870 0.060 0.000 0.957 17 L CA -0.444 54.435 54.840 0.065 0.000 0.836 17 L CB 2.308 44.436 42.059 0.114 0.000 1.324 17 L HN 0.704 nan 8.230 nan 0.000 0.406 18 D N 2.445 122.829 120.400 -0.027 0.000 2.248 18 D HA 0.543 5.184 4.640 0.001 0.000 0.246 18 D C 0.604 176.792 176.300 -0.187 0.000 1.027 18 D CA 0.248 54.218 54.000 -0.051 0.000 0.853 18 D CB 2.665 43.440 40.800 -0.040 0.000 1.243 18 D HN 0.770 nan 8.370 nan 0.000 0.462 19 A N 3.414 126.109 122.820 -0.209 0.000 1.978 19 A HA -0.194 4.127 4.320 0.001 0.000 0.220 19 A C 1.407 178.852 177.584 -0.233 0.000 1.170 19 A CA 1.588 53.423 52.037 -0.336 0.000 0.636 19 A CB -0.119 18.769 19.000 -0.187 0.000 0.810 19 A HN 0.637 nan 8.150 nan 0.000 0.448 20 D N -0.061 120.252 120.400 -0.145 0.000 2.162 20 D HA -0.098 4.543 4.640 0.001 0.000 0.205 20 D C 2.431 178.661 176.300 -0.117 0.000 0.964 20 D CA 1.582 55.513 54.000 -0.114 0.000 0.847 20 D CB -0.647 40.108 40.800 -0.076 0.000 0.988 20 D HN 0.596 nan 8.370 nan 0.000 0.480 21 S N 0.982 116.616 115.700 -0.110 0.000 2.399 21 S HA -0.117 4.354 4.470 0.001 0.000 0.231 21 S C 2.131 176.653 174.600 -0.130 0.000 1.022 21 S CA 0.457 58.597 58.200 -0.099 0.000 0.983 21 S CB -0.640 62.514 63.200 -0.076 0.000 0.803 21 S HN 0.213 nan 8.310 nan 0.000 0.480 22 L N 1.182 122.297 121.223 -0.180 0.000 2.007 22 L HA -0.041 4.300 4.340 0.001 0.000 0.205 22 L C 2.921 179.653 176.870 -0.229 0.000 1.073 22 L CA 2.189 56.895 54.840 -0.224 0.000 0.744 22 L CB -0.627 41.241 42.059 -0.319 0.000 0.898 22 L HN 0.368 nan 8.230 nan 0.000 0.435 23 E N 1.181 121.247 120.200 -0.224 0.000 2.136 23 E HA -0.328 4.023 4.350 0.001 0.000 0.202 23 E C 1.863 178.372 176.600 -0.152 0.000 1.019 23 E CA 2.483 58.772 56.400 -0.186 0.000 0.819 23 E CB -0.102 29.504 29.700 -0.156 0.000 0.739 23 E HN 0.550 nan 8.360 nan 0.000 0.458 24 K N -0.644 119.678 120.400 -0.130 0.000 2.361 24 K HA 0.270 4.590 4.320 0.001 0.000 0.196 24 K C 1.814 178.349 176.600 -0.109 0.000 1.039 24 K CA 0.919 57.146 56.287 -0.101 0.000 1.001 24 K CB -0.052 32.401 32.500 -0.078 0.000 0.795 24 K HN 0.122 nan 8.250 nan 0.000 0.495 25 A N 1.429 124.166 122.820 -0.138 0.000 1.897 25 A HA 0.096 4.417 4.320 0.001 0.000 0.215 25 A C 2.062 179.534 177.584 -0.188 0.000 1.181 25 A CA 0.954 52.907 52.037 -0.140 0.000 0.620 25 A CB -0.612 18.300 19.000 -0.147 0.000 0.821 25 A HN 0.291 nan 8.150 nan 0.000 0.443 26 L N -0.511 120.545 121.223 -0.278 0.000 2.362 26 L HA -0.067 4.274 4.340 0.001 0.000 0.219 26 L C 2.511 179.262 176.870 -0.198 0.000 1.134 26 L CA 0.713 55.300 54.840 -0.421 0.000 0.807 26 L CB -0.522 41.198 42.059 -0.564 0.000 0.927 26 L HN 0.501 nan 8.230 nan 0.000 0.447 27 G N -0.650 108.075 108.800 -0.125 0.000 2.572 27 G HA2 -0.139 3.821 3.960 0.001 0.000 0.216 27 G HA3 -0.139 3.821 3.960 0.001 0.000 0.216 27 G C 1.413 176.294 174.900 -0.032 0.000 1.133 27 G CA 0.033 45.097 45.100 -0.060 0.000 0.791 27 G HN 0.244 nan 8.290 nan 0.000 0.538 28 E N 0.823 120.999 120.200 -0.040 0.000 2.152 28 E HA -0.019 4.332 4.350 0.001 0.000 0.192 28 E C 0.836 177.445 176.600 0.014 0.000 0.983 28 E CA 0.791 57.182 56.400 -0.015 0.000 0.818 28 E CB 0.074 29.761 29.700 -0.023 0.000 0.758 28 E HN 0.190 nan 8.360 nan 0.000 0.467 29 K N 1.565 121.988 120.400 0.038 0.000 3.205 29 K HA 0.221 4.542 4.320 0.001 0.000 0.202 29 K C 0.077 176.768 176.600 0.152 0.000 1.160 29 K CA -0.201 56.146 56.287 0.101 0.000 0.995 29 K CB 0.593 33.188 32.500 0.158 0.000 1.041 29 K HN 0.022 nan 8.250 nan 0.000 0.507 30 S N -0.371 115.377 115.700 0.080 0.000 2.640 30 S HA 0.585 5.056 4.470 0.001 0.000 0.262 30 S C 0.428 175.037 174.600 0.015 0.000 1.232 30 S CA -0.783 57.459 58.200 0.069 0.000 0.988 30 S CB 0.983 64.200 63.200 0.029 0.000 1.034 30 S HN 0.304 nan 8.310 nan 0.000 0.569 31 A N 0.950 123.762 122.820 -0.013 0.000 2.274 31 A HA 0.643 4.964 4.320 0.001 0.000 0.309 31 A C 0.340 177.911 177.584 -0.022 0.000 1.226 31 A CA -1.071 50.935 52.037 -0.051 0.000 0.853 31 A CB 0.219 19.167 19.000 -0.087 0.000 1.146 31 A HN 0.891 nan 8.150 nan 0.000 0.518 32 R N 2.799 123.291 120.500 -0.015 0.000 2.892 32 R HA 0.776 5.117 4.340 0.001 0.000 0.265 32 R C -2.935 173.365 176.300 0.000 0.000 1.025 32 R CA -1.839 54.259 56.100 -0.003 0.000 0.982 32 R CB 1.266 31.568 30.300 0.004 0.000 1.185 32 R HN 0.435 nan 8.270 nan 0.000 0.484 33 P HA 0.040 nan 4.420 nan 0.000 0.275 33 P C -0.468 176.840 177.300 0.013 0.000 1.228 33 P CA -0.490 62.615 63.100 0.009 0.000 0.786 33 P CB 0.865 32.571 31.700 0.010 0.000 0.927 34 C N 2.942 122.252 119.300 0.017 0.000 2.576 34 C HA 0.483 4.943 4.460 0.001 0.000 0.401 34 C C 1.255 176.256 174.990 0.019 0.000 1.314 34 C CA -0.141 58.889 59.018 0.020 0.000 1.855 34 C CB -1.360 26.395 27.740 0.024 0.000 2.537 34 C HN 0.726 nan 8.230 nan 0.000 0.578 35 A N 5.133 127.963 122.820 0.017 0.000 2.433 35 A HA 0.245 4.566 4.320 0.001 0.000 0.250 35 A C 1.502 179.095 177.584 0.016 0.000 1.113 35 A CA 0.512 52.558 52.037 0.015 0.000 0.794 35 A CB 0.022 19.029 19.000 0.012 0.000 1.067 35 A HN 0.979 nan 8.150 nan 0.000 0.510 36 S N -0.430 115.279 115.700 0.014 0.000 2.428 36 S HA -0.059 4.412 4.470 0.001 0.000 0.230 36 S C 1.185 175.790 174.600 0.008 0.000 1.014 36 S CA 1.178 59.386 58.200 0.013 0.000 0.957 36 S CB -0.068 63.139 63.200 0.012 0.000 0.784 36 S HN 0.627 nan 8.310 nan 0.000 0.499 37 Q N 0.568 120.372 119.800 0.007 0.000 2.172 37 Q HA 0.316 4.657 4.340 0.001 0.000 0.217 37 Q C -0.244 175.759 176.000 0.005 0.000 0.832 37 Q CA 0.031 55.837 55.803 0.004 0.000 1.010 37 Q CB 0.460 29.200 28.738 0.003 0.000 1.133 37 Q HN 0.540 nan 8.270 nan 0.000 0.489 38 E N 0.717 120.922 120.200 0.008 0.000 2.175 38 E HA 0.248 4.599 4.350 0.001 0.000 0.278 38 E C 0.483 177.088 176.600 0.009 0.000 0.969 38 E CA -0.177 56.228 56.400 0.009 0.000 0.796 38 E CB 0.984 30.692 29.700 0.012 0.000 1.104 38 E HN 0.081 nan 8.360 nan 0.000 0.395 39 L N 2.543 123.769 121.223 0.006 0.000 2.095 39 L HA 0.084 4.425 4.340 0.001 0.000 0.204 39 L C 1.286 178.162 176.870 0.009 0.000 1.080 39 L CA 0.811 55.654 54.840 0.005 0.000 0.759 39 L CB 0.132 42.190 42.059 -0.001 0.000 0.914 39 L HN 0.514 nan 8.230 nan 0.000 0.439 40 T N -0.911 113.650 114.554 0.011 0.000 2.889 40 T HA 0.454 4.805 4.350 0.001 0.000 0.315 40 T C -1.131 173.587 174.700 0.031 0.000 1.291 40 T CA -0.473 61.638 62.100 0.018 0.000 1.028 40 T CB 1.875 70.747 68.868 0.007 0.000 1.235 40 T HN 0.164 nan 8.240 nan 0.000 0.491 41 T N 1.342 115.925 114.554 0.048 0.000 2.916 41 T HA 0.681 5.032 4.350 0.001 0.000 0.298 41 T C -1.733 173.038 174.700 0.118 0.000 1.031 41 T CA -0.721 61.417 62.100 0.063 0.000 0.993 41 T CB 1.531 70.420 68.868 0.034 0.000 1.045 41 T HN 0.608 nan 8.240 nan 0.000 0.454 42 Y N 1.049 121.317 120.300 -0.053 0.000 2.346 42 Y HA 0.696 5.247 4.550 0.001 0.000 0.332 42 Y C -0.175 175.666 175.900 -0.099 0.000 0.985 42 Y CA -0.161 57.884 58.100 -0.091 0.000 1.112 42 Y CB 1.704 40.105 38.460 -0.098 0.000 1.170 42 Y HN 1.317 nan 8.280 nan 0.000 0.447 43 G N 3.681 112.156 108.800 -0.542 0.000 2.601 43 G HA2 0.418 4.379 3.960 0.001 0.000 0.291 43 G HA3 0.418 4.379 3.960 0.001 0.000 0.291 43 G C -2.008 172.596 174.900 -0.494 0.000 1.456 43 G CA -0.918 43.927 45.100 -0.424 0.000 0.804 43 G HN 0.375 nan 8.290 nan 0.000 0.499 44 F N 0.284 120.075 119.950 -0.265 0.000 2.450 44 F HA 0.667 5.195 4.527 0.001 0.000 0.339 44 F C 1.163 176.874 175.800 -0.149 0.000 1.146 44 F CA 0.287 58.161 58.000 -0.210 0.000 1.267 44 F CB 2.000 40.910 39.000 -0.149 0.000 1.178 44 F HN 0.498 nan 8.300 nan 0.000 0.585 45 T N 0.462 115.047 114.554 0.052 0.000 2.816 45 T HA 0.701 5.051 4.350 0.001 0.000 0.299 45 T C -1.190 173.536 174.700 0.044 0.000 1.230 45 T CA -0.759 61.352 62.100 0.019 0.000 1.007 45 T CB 1.048 69.895 68.868 -0.035 0.000 1.289 45 T HN 0.809 nan 8.240 nan 0.000 0.508 46 A N 3.263 126.111 122.820 0.047 0.000 2.522 46 A HA 0.468 4.789 4.320 0.001 0.000 0.256 46 A C -1.673 175.979 177.584 0.114 0.000 1.086 46 A CA -0.761 51.317 52.037 0.069 0.000 0.763 46 A CB -0.356 18.688 19.000 0.073 0.000 1.024 46 A HN 0.720 nan 8.150 nan 0.000 0.502 47 P HA -0.073 nan 4.420 nan 0.000 0.213 47 P C 0.093 177.602 177.300 0.348 0.000 1.170 47 P CA 1.132 64.362 63.100 0.216 0.000 0.898 47 P CB 0.084 31.689 31.700 -0.157 0.000 0.787 48 F N -2.732 117.260 119.950 0.070 0.000 2.483 48 F HA 0.439 4.967 4.527 0.001 0.000 0.329 48 F C 1.855 177.685 175.800 0.049 0.000 1.064 48 F CA -0.565 57.446 58.000 0.018 0.000 0.986 48 F CB 1.512 40.467 39.000 -0.076 0.000 1.218 48 F HN 0.123 nan 8.300 nan 0.000 0.484 49 G N 1.813 110.750 108.800 0.228 0.000 5.059 49 G HA2 -0.406 3.555 3.960 0.001 0.000 0.336 49 G HA3 -0.406 3.555 3.960 0.001 0.000 0.336 49 G C 0.164 175.128 174.900 0.106 0.000 1.364 49 G CA 0.807 45.986 45.100 0.132 0.000 1.020 49 G HN 0.995 nan 8.290 nan 0.000 0.807 50 K N -0.734 119.728 120.400 0.103 0.000 5.169 50 K HA 0.361 4.682 4.320 0.001 0.000 0.628 50 K C -0.176 176.454 176.600 0.050 0.000 2.572 50 K CA 1.365 57.696 56.287 0.073 0.000 1.957 50 K CB -1.094 31.448 32.500 0.070 0.000 2.585 50 K HN 2.860 nan 8.250 nan 0.000 0.224 51 G N 2.655 111.477 108.800 0.036 0.000 3.071 51 G HA2 0.062 4.023 3.960 0.001 0.000 0.620 51 G HA3 0.062 4.023 3.960 0.001 0.000 0.620 51 G C -2.516 172.396 174.900 0.020 0.000 1.204 51 G CA -0.454 44.662 45.100 0.026 0.000 1.200 51 G HN 0.436 nan 8.290 nan 0.000 0.530 52 P HA 0.012 nan 4.420 nan 0.000 0.041 52 P C 0.344 177.648 177.300 0.007 0.000 0.590 52 P CA 2.051 65.156 63.100 0.009 0.000 1.019 52 P CB 0.055 31.759 31.700 0.007 0.000 1.776 53 D N -1.711 118.694 120.400 0.009 0.000 3.432 53 D HA -0.025 4.615 4.640 0.001 0.000 0.545 53 D C 0.041 176.348 176.300 0.010 0.000 0.501 53 D CA 0.259 54.262 54.000 0.006 0.000 1.001 53 D CB -0.785 40.019 40.800 0.007 0.000 1.479 53 D HN 0.186 nan 8.370 nan 0.000 0.251 54 A N 1.937 124.769 122.820 0.021 0.000 2.440 54 A HA 0.561 4.882 4.320 0.001 0.000 0.251 54 A C -2.113 175.485 177.584 0.023 0.000 1.089 54 A CA -0.572 51.486 52.037 0.035 0.000 0.779 54 A CB 0.039 19.072 19.000 0.055 0.000 1.022 54 A HN 0.143 nan 8.150 nan 0.000 0.492 55 P HA 0.173 nan 4.420 nan 0.000 0.275 55 P C 0.541 177.840 177.300 -0.002 0.000 1.227 55 P CA -0.285 62.811 63.100 -0.006 0.000 0.781 55 P CB 0.916 32.601 31.700 -0.024 0.000 0.906 56 L N 1.704 122.910 121.223 -0.028 0.000 2.109 56 L HA -0.003 4.337 4.340 0.001 0.000 0.207 56 L C 1.108 177.956 176.870 -0.037 0.000 1.086 56 L CA 1.011 55.837 54.840 -0.023 0.000 0.760 56 L CB -0.269 41.753 42.059 -0.062 0.000 0.910 56 L HN 0.172 nan 8.230 nan 0.000 0.437 57 V N -1.000 118.865 119.914 -0.081 0.000 2.713 57 V HA 0.295 4.416 4.120 0.001 0.000 0.307 57 V C -0.454 175.610 176.094 -0.050 0.000 1.052 57 V CA -0.672 61.571 62.300 -0.095 0.000 0.967 57 V CB 1.687 33.382 31.823 -0.213 0.000 1.019 57 V HN 0.157 nan 8.190 nan 0.000 0.459 58 H N 2.112 121.090 119.070 -0.153 0.000 2.759 58 H HA 0.672 5.229 4.556 0.001 0.000 0.354 58 H C -1.674 173.617 175.328 -0.061 0.000 1.074 58 H CA -0.262 55.678 56.048 -0.179 0.000 1.226 58 H CB 2.111 31.623 29.762 -0.417 0.000 1.648 58 H HN 0.416 nan 8.280 nan 0.000 0.529 59 V N 3.189 122.996 119.914 -0.179 0.000 3.019 59 V HA 0.645 4.766 4.120 0.001 0.000 0.317 59 V C -0.243 175.906 176.094 0.091 0.000 1.094 59 V CA -0.564 61.827 62.300 0.153 0.000 1.000 59 V CB 1.747 33.721 31.823 0.251 0.000 1.060 59 V HN 0.924 nan 8.190 nan 0.000 0.443 60 S N 0.933 116.770 115.700 0.228 0.000 2.596 60 S HA 0.316 4.786 4.470 0.001 0.000 0.305 60 S C -0.620 174.079 174.600 0.164 0.000 1.086 60 S CA -0.705 57.632 58.200 0.229 0.000 0.909 60 S CB 1.025 64.461 63.200 0.394 0.000 1.106 60 S HN 0.838 nan 8.310 nan 0.000 0.450 61 Q N 1.454 121.272 119.800 0.029 0.000 2.408 61 Q HA -0.254 4.087 4.340 0.001 0.000 0.290 61 Q C 0.058 175.813 176.000 -0.409 0.000 1.221 61 Q CA 1.250 56.977 55.803 -0.127 0.000 0.895 61 Q CB -1.355 27.345 28.738 -0.065 0.000 1.241 61 Q HN 1.055 nan 8.270 nan 0.000 0.494 62 D N -2.544 117.666 120.400 -0.317 0.000 3.099 62 D HA -0.179 4.462 4.640 0.001 0.000 0.213 62 D C -0.995 174.860 176.300 -0.742 0.000 1.121 62 D CA 1.008 54.710 54.000 -0.497 0.000 0.951 62 D CB -1.135 39.379 40.800 -0.478 0.000 1.102 62 D HN 0.479 nan 8.370 nan 0.000 0.423 63 F N 0.008 119.807 119.950 -0.251 0.000 2.422 63 F HA 0.583 5.110 4.527 0.001 0.000 0.333 63 F C 0.535 176.352 175.800 0.028 0.000 1.095 63 F CA -1.024 56.903 58.000 -0.121 0.000 1.038 63 F CB 1.016 40.120 39.000 0.174 0.000 1.156 63 F HN -0.305 nan 8.300 nan 0.000 0.483 64 F N 2.979 123.229 119.950 0.498 0.000 2.522 64 F HA 0.587 5.115 4.527 0.002 0.000 0.324 64 F C -0.637 175.299 175.800 0.227 0.000 1.077 64 F CA -1.423 56.727 58.000 0.249 0.000 0.944 64 F CB 1.641 40.732 39.000 0.151 0.000 1.175 64 F HN 0.120 nan 8.300 nan 0.000 0.468 65 L N 5.472 126.748 121.223 0.088 0.000 2.372 65 L HA 0.657 4.998 4.340 0.001 0.000 0.273 65 L C -0.690 176.184 176.870 0.006 0.000 0.989 65 L CA -0.401 54.371 54.840 -0.113 0.000 0.841 65 L CB 0.733 42.202 42.059 -0.984 0.000 1.225 65 L HN 0.575 nan 8.230 nan 0.000 0.414 66 I N 0.837 121.515 120.570 0.180 0.000 3.100 66 I HA 0.901 5.072 4.170 0.001 0.000 0.312 66 I C -0.422 175.861 176.117 0.276 0.000 1.063 66 I CA -0.696 60.723 61.300 0.198 0.000 1.031 66 I CB 2.117 40.249 38.000 0.220 0.000 1.243 66 I HN 0.599 nan 8.210 nan 0.000 0.483 67 S N 1.438 117.276 115.700 0.231 0.000 2.543 67 S HA 0.760 5.231 4.470 0.001 0.000 0.273 67 S C -1.272 173.218 174.600 -0.185 0.000 1.152 67 S CA -0.345 57.838 58.200 -0.027 0.000 0.910 67 S CB 1.572 64.669 63.200 -0.171 0.000 1.105 67 S HN 1.120 nan 8.310 nan 0.000 0.465 68 A N 4.368 126.908 122.820 -0.467 0.000 2.285 68 A HA 0.710 5.030 4.320 0.001 0.000 0.310 68 A C -0.117 177.105 177.584 -0.603 0.000 1.266 68 A CA -0.721 50.821 52.037 -0.825 0.000 0.832 68 A CB 0.609 18.862 19.000 -1.245 0.000 1.163 68 A HN 0.858 nan 8.150 nan 0.000 0.499 69 R N 2.361 122.570 120.500 -0.484 0.000 2.410 69 R HA 0.514 4.855 4.340 0.001 0.000 0.288 69 R C -0.473 175.700 176.300 -0.211 0.000 1.051 69 R CA -0.315 55.614 56.100 -0.284 0.000 1.021 69 R CB 0.766 30.954 30.300 -0.187 0.000 1.032 69 R HN 0.642 nan 8.270 nan 0.000 0.481 70 K N 2.938 123.321 120.400 -0.028 0.000 2.397 70 K HA 0.236 4.557 4.320 0.001 0.000 0.253 70 K C -1.326 175.299 176.600 0.043 0.000 0.932 70 K CA -0.554 55.797 56.287 0.107 0.000 0.795 70 K CB 1.686 34.322 32.500 0.226 0.000 1.159 70 K HN 0.656 nan 8.250 nan 0.000 0.424 71 E N 3.203 123.428 120.200 0.043 0.000 2.187 71 E HA 0.175 4.526 4.350 0.001 0.000 0.268 71 E C -1.339 175.280 176.600 0.033 0.000 0.896 71 E CA -0.736 55.681 56.400 0.029 0.000 0.766 71 E CB 2.089 31.801 29.700 0.020 0.000 1.142 71 E HN 0.645 nan 8.360 nan 0.000 0.408 72 E N 2.910 123.128 120.200 0.030 0.000 2.304 72 E HA 0.371 4.722 4.350 0.001 0.000 0.277 72 E C -0.908 175.711 176.600 0.032 0.000 0.898 72 E CA -0.927 55.488 56.400 0.025 0.000 0.764 72 E CB 1.524 31.233 29.700 0.016 0.000 1.216 72 E HN 0.224 nan 8.360 nan 0.000 0.419 73 R N 2.477 122.993 120.500 0.028 0.000 2.489 73 R HA 0.172 4.513 4.340 0.001 0.000 0.287 73 R C 0.413 176.726 176.300 0.022 0.000 1.053 73 R CA -0.405 55.715 56.100 0.032 0.000 1.036 73 R CB 0.634 30.945 30.300 0.019 0.000 0.966 73 R HN 0.597 nan 8.270 nan 0.000 0.432 74 I N 4.782 125.371 120.570 0.032 0.000 2.322 74 I HA 0.179 4.350 4.170 0.001 0.000 0.292 74 I C -1.065 175.036 176.117 -0.027 0.000 1.060 74 I CA 0.278 61.587 61.300 0.015 0.000 1.309 74 I CB 0.351 38.380 38.000 0.047 0.000 1.415 74 I HN 0.606 nan 8.210 nan 0.000 0.492 75 L N 9.444 130.652 121.223 -0.026 0.000 2.490 75 L HA 0.508 4.849 4.340 0.001 0.000 0.256 75 L C -2.406 174.446 176.870 -0.029 0.000 1.089 75 L CA -1.372 53.443 54.840 -0.042 0.000 0.916 75 L CB 1.491 43.527 42.059 -0.038 0.000 1.188 75 L HN 0.519 nan 8.230 nan 0.000 0.476 76 P HA 0.123 nan 4.420 nan 0.000 0.266 76 P C 0.965 178.253 177.300 -0.020 0.000 1.195 76 P CA -0.014 63.075 63.100 -0.019 0.000 0.768 76 P CB 0.956 32.645 31.700 -0.018 0.000 0.838 77 G N 1.063 109.855 108.800 -0.015 0.000 2.448 77 G HA2 -0.266 3.695 3.960 0.001 0.000 0.219 77 G HA3 -0.266 3.695 3.960 0.001 0.000 0.219 77 G C 1.677 176.568 174.900 -0.015 0.000 1.127 77 G CA 0.937 46.029 45.100 -0.014 0.000 0.766 77 G HN 0.582 nan 8.290 nan 0.000 0.552 78 S N 0.032 115.724 115.700 -0.014 0.000 2.359 78 S HA -0.144 4.326 4.470 0.001 0.000 0.224 78 S C 2.443 177.032 174.600 -0.018 0.000 1.035 78 S CA 1.844 60.035 58.200 -0.014 0.000 1.018 78 S CB -0.386 62.807 63.200 -0.011 0.000 0.876 78 S HN 0.129 nan 8.310 nan 0.000 0.448 79 V N 1.564 121.463 119.914 -0.024 0.000 2.358 79 V HA -0.104 4.017 4.120 0.001 0.000 0.246 79 V C 2.627 178.703 176.094 -0.030 0.000 1.047 79 V CA 1.678 63.959 62.300 -0.032 0.000 1.035 79 V CB -0.825 30.971 31.823 -0.046 0.000 0.658 79 V HN 0.459 nan 8.190 nan 0.000 0.452 80 V N 0.120 120.017 119.914 -0.027 0.000 2.233 80 V HA -0.303 3.818 4.120 0.001 0.000 0.247 80 V C 2.623 178.705 176.094 -0.020 0.000 1.050 80 V CA 2.303 64.588 62.300 -0.024 0.000 1.010 80 V CB -0.821 30.990 31.823 -0.020 0.000 0.637 80 V HN 0.467 nan 8.190 nan 0.000 0.444 81 R N -0.100 120.389 120.500 -0.017 0.000 2.103 81 R HA -0.217 4.124 4.340 0.001 0.000 0.242 81 R C 2.024 178.314 176.300 -0.017 0.000 1.142 81 R CA 2.010 58.101 56.100 -0.015 0.000 0.960 81 R CB -0.538 29.754 30.300 -0.013 0.000 0.858 81 R HN 0.536 nan 8.270 nan 0.000 0.439 82 D N 0.161 120.551 120.400 -0.018 0.000 2.144 82 D HA -0.081 4.560 4.640 0.001 0.000 0.200 82 D C 1.729 178.017 176.300 -0.019 0.000 0.978 82 D CA 1.360 55.349 54.000 -0.018 0.000 0.833 82 D CB -0.073 40.716 40.800 -0.018 0.000 0.961 82 D HN 0.267 nan 8.370 nan 0.000 0.470 83 A N 0.230 123.037 122.820 -0.021 0.000 1.929 83 A HA -0.035 4.286 4.320 0.001 0.000 0.216 83 A C 2.147 179.719 177.584 -0.020 0.000 1.176 83 A CA 0.515 52.539 52.037 -0.022 0.000 0.628 83 A CB -0.652 18.333 19.000 -0.025 0.000 0.816 83 A HN 0.241 nan 8.150 nan 0.000 0.444 84 L N -0.460 120.752 121.223 -0.019 0.000 1.989 84 L HA -0.228 4.113 4.340 0.001 0.000 0.211 84 L C 2.639 179.498 176.870 -0.020 0.000 1.071 84 L CA 2.361 57.190 54.840 -0.018 0.000 0.749 84 L CB -0.362 41.687 42.059 -0.016 0.000 0.890 84 L HN 0.507 nan 8.230 nan 0.000 0.431 85 K N -0.054 120.333 120.400 -0.020 0.000 2.032 85 K HA -0.298 4.023 4.320 0.001 0.000 0.209 85 K C 2.005 178.591 176.600 -0.022 0.000 1.048 85 K CA 2.068 58.341 56.287 -0.022 0.000 0.927 85 K CB -0.129 32.358 32.500 -0.020 0.000 0.712 85 K HN 0.349 nan 8.250 nan 0.000 0.441 86 E N 0.589 120.777 120.200 -0.020 0.000 2.077 86 E HA -0.238 4.113 4.350 0.001 0.000 0.193 86 E C 1.995 178.583 176.600 -0.019 0.000 0.989 86 E CA 1.280 57.669 56.400 -0.019 0.000 0.800 86 E CB 0.068 29.758 29.700 -0.017 0.000 0.746 86 E HN 0.217 nan 8.360 nan 0.000 0.452 87 K N 0.145 120.534 120.400 -0.019 0.000 2.025 87 K HA -0.120 4.200 4.320 0.001 0.000 0.207 87 K C 2.100 178.687 176.600 -0.021 0.000 1.049 87 K CA 1.342 57.619 56.287 -0.018 0.000 0.933 87 K CB -0.001 32.490 32.500 -0.016 0.000 0.714 87 K HN 0.046 nan 8.250 nan 0.000 0.438 88 V N 2.277 122.176 119.914 -0.025 0.000 2.287 88 V HA -0.282 3.839 4.120 0.001 0.000 0.248 88 V C 1.814 177.886 176.094 -0.036 0.000 1.053 88 V CA 2.154 64.434 62.300 -0.034 0.000 1.027 88 V CB -0.520 31.279 31.823 -0.041 0.000 0.646 88 V HN 0.388 nan 8.190 nan 0.000 0.447 89 D N -0.477 119.904 120.400 -0.032 0.000 2.117 89 D HA -0.192 4.448 4.640 0.001 0.000 0.197 89 D C 2.183 178.468 176.300 -0.025 0.000 0.987 89 D CA 1.482 55.464 54.000 -0.030 0.000 0.829 89 D CB -0.224 40.561 40.800 -0.025 0.000 0.961 89 D HN 0.604 nan 8.370 nan 0.000 0.460 90 E N 0.561 120.749 120.200 -0.021 0.000 2.058 90 E HA -0.168 4.183 4.350 0.001 0.000 0.194 90 E C 2.347 178.937 176.600 -0.017 0.000 0.997 90 E CA 0.743 57.133 56.400 -0.017 0.000 0.801 90 E CB -0.114 29.578 29.700 -0.014 0.000 0.746 90 E HN 0.254 nan 8.360 nan 0.000 0.450 91 I N 1.085 121.643 120.570 -0.019 0.000 2.179 91 I HA -0.256 3.914 4.170 0.001 0.000 0.242 91 I C 2.333 178.437 176.117 -0.021 0.000 1.088 91 I CA 1.383 62.672 61.300 -0.018 0.000 1.357 91 I CB -0.331 37.658 38.000 -0.019 0.000 1.051 91 I HN 0.131 nan 8.210 nan 0.000 0.409 92 E N 0.818 121.000 120.200 -0.030 0.000 2.204 92 E HA -0.166 4.185 4.350 0.001 0.000 0.194 92 E C 2.190 178.776 176.600 -0.024 0.000 0.989 92 E CA 1.139 57.518 56.400 -0.034 0.000 0.824 92 E CB -0.076 29.593 29.700 -0.051 0.000 0.756 92 E HN 0.551 nan 8.360 nan 0.000 0.477 93 A N 0.806 123.613 122.820 -0.020 0.000 1.911 93 A HA -0.079 4.242 4.320 0.001 0.000 0.212 93 A C 1.956 179.533 177.584 -0.011 0.000 1.189 93 A CA 0.578 52.606 52.037 -0.015 0.000 0.639 93 A CB -0.029 18.962 19.000 -0.014 0.000 0.839 93 A HN 0.054 nan 8.150 nan 0.000 0.449 94 Q N -0.813 118.981 119.800 -0.011 0.000 2.331 94 Q HA 0.022 4.362 4.340 0.001 0.000 0.203 94 Q C 1.593 177.590 176.000 -0.006 0.000 0.944 94 Q CA 1.004 56.802 55.803 -0.007 0.000 0.892 94 Q CB 0.162 28.895 28.738 -0.007 0.000 0.983 94 Q HN 0.715 nan 8.270 nan 0.000 0.482 95 Q N -0.558 119.238 119.800 -0.007 0.000 2.246 95 Q HA 0.181 4.522 4.340 0.001 0.000 0.222 95 Q C -0.431 175.568 176.000 -0.002 0.000 0.851 95 Q CA -0.195 55.607 55.803 -0.003 0.000 0.945 95 Q CB 0.859 29.596 28.738 -0.002 0.000 1.122 95 Q HN 0.274 nan 8.270 nan 0.000 0.508 96 M N 1.382 120.978 119.600 -0.006 0.000 2.212 96 M HA -0.246 4.234 4.480 0.001 0.000 0.193 96 M C -0.572 175.728 176.300 -0.001 0.000 0.493 96 M CA 1.208 56.505 55.300 -0.005 0.000 0.427 96 M CB -2.497 30.102 32.600 -0.001 0.000 1.120 96 M HN 0.346 nan 8.290 nan 0.000 0.929 97 R N -0.703 119.792 120.500 -0.007 0.000 2.710 97 R HA 0.776 5.117 4.340 0.001 0.000 0.270 97 R C -1.159 175.120 176.300 -0.034 0.000 1.021 97 R CA -1.276 54.824 56.100 0.000 0.000 0.889 97 R CB 2.219 32.530 30.300 0.018 0.000 1.243 97 R HN 0.230 nan 8.270 nan 0.000 0.464 98 K N 1.714 122.083 120.400 -0.052 0.000 2.201 98 K HA 0.310 4.630 4.320 0.001 0.000 0.278 98 K C -0.940 175.502 176.600 -0.263 0.000 1.027 98 K CA -0.648 55.513 56.287 -0.209 0.000 0.909 98 K CB 1.637 33.919 32.500 -0.362 0.000 1.062 98 K HN 0.431 nan 8.250 nan 0.000 0.465 99 V N 5.998 125.752 119.914 -0.267 0.000 2.385 99 V HA 0.197 4.318 4.120 0.001 0.000 0.269 99 V C -0.615 175.321 176.094 -0.263 0.000 1.043 99 V CA -0.521 61.681 62.300 -0.163 0.000 0.906 99 V CB -0.104 31.669 31.823 -0.084 0.000 0.995 99 V HN 0.649 nan 8.190 nan 0.000 0.467 100 Y N 2.612 122.910 120.300 -0.003 0.000 2.392 100 Y HA 0.276 4.827 4.550 0.001 0.000 0.323 100 Y C 1.577 177.475 175.900 -0.003 0.000 1.291 100 Y CA -0.429 57.669 58.100 -0.003 0.000 1.345 100 Y CB 0.721 39.179 38.460 -0.002 0.000 1.320 100 Y HN 0.508 nan 8.280 nan 0.000 0.518 101 K N 0.686 121.197 120.400 0.185 0.000 2.044 101 K HA -0.361 3.960 4.320 0.001 0.000 0.224 101 K C 2.170 178.813 176.600 0.071 0.000 1.056 101 K CA 2.449 58.794 56.287 0.096 0.000 0.962 101 K CB -0.176 32.377 32.500 0.087 0.000 0.730 101 K HN 0.612 nan 8.250 nan 0.000 0.453 102 K N 0.793 121.238 120.400 0.076 0.000 2.034 102 K HA -0.261 4.060 4.320 0.001 0.000 0.214 102 K C 2.110 178.737 176.600 0.045 0.000 1.051 102 K CA 2.279 58.595 56.287 0.048 0.000 0.931 102 K CB -0.233 32.291 32.500 0.039 0.000 0.715 102 K HN 0.402 nan 8.250 nan 0.000 0.446 103 E N 0.128 120.364 120.200 0.061 0.000 2.150 103 E HA -0.167 4.184 4.350 0.001 0.000 0.193 103 E C 2.088 178.704 176.600 0.026 0.000 0.985 103 E CA 0.794 57.221 56.400 0.044 0.000 0.814 103 E CB 0.109 29.843 29.700 0.056 0.000 0.752 103 E HN 0.223 nan 8.360 nan 0.000 0.466 104 R N 0.263 120.778 120.500 0.025 0.000 2.092 104 R HA -0.091 4.250 4.340 0.001 0.000 0.231 104 R C 1.717 178.022 176.300 0.007 0.000 1.119 104 R CA 1.380 57.484 56.100 0.008 0.000 0.970 104 R CB 0.011 30.311 30.300 0.001 0.000 0.864 104 R HN 0.263 nan 8.270 nan 0.000 0.440 105 D N 0.170 120.578 120.400 0.013 0.000 2.178 105 D HA -0.178 4.463 4.640 0.001 0.000 0.202 105 D C 1.792 178.096 176.300 0.007 0.000 0.974 105 D CA 0.929 54.935 54.000 0.009 0.000 0.841 105 D CB 0.021 40.828 40.800 0.012 0.000 0.953 105 D HN 0.321 nan 8.370 nan 0.000 0.478 106 Q N 0.469 120.275 119.800 0.009 0.000 2.049 106 Q HA -0.075 4.266 4.340 0.001 0.000 0.198 106 Q C 2.324 178.326 176.000 0.003 0.000 0.971 106 Q CA 0.643 56.450 55.803 0.007 0.000 0.833 106 Q CB -0.041 28.703 28.738 0.011 0.000 0.896 106 Q HN 0.274 nan 8.270 nan 0.000 0.434 107 L N 0.858 122.082 121.223 0.003 0.000 2.362 107 L HA -0.126 4.215 4.340 0.001 0.000 0.219 107 L C 2.581 179.448 176.870 -0.005 0.000 1.134 107 L CA 0.757 55.596 54.840 -0.002 0.000 0.807 107 L CB -0.309 41.748 42.059 -0.004 0.000 0.927 107 L HN 0.215 nan 8.230 nan 0.000 0.447 108 K N 0.297 120.694 120.400 -0.004 0.000 2.031 108 K HA -0.166 4.155 4.320 0.001 0.000 0.205 108 K C 1.540 178.136 176.600 -0.007 0.000 1.049 108 K CA 1.501 57.784 56.287 -0.006 0.000 0.939 108 K CB 0.099 32.596 32.500 -0.005 0.000 0.717 108 K HN 0.191 nan 8.250 nan 0.000 0.438 109 D N 0.808 121.206 120.400 -0.004 0.000 2.104 109 D HA -0.217 4.424 4.640 0.001 0.000 0.194 109 D C 1.758 178.055 176.300 -0.005 0.000 0.994 109 D CA 1.260 55.257 54.000 -0.004 0.000 0.830 109 D CB -0.202 40.597 40.800 -0.002 0.000 0.959 109 D HN 0.469 nan 8.370 nan 0.000 0.452 110 E N 0.352 120.550 120.200 -0.005 0.000 2.160 110 E HA -0.162 4.189 4.350 0.001 0.000 0.195 110 E C 2.190 178.785 176.600 -0.008 0.000 0.991 110 E CA 0.675 57.072 56.400 -0.005 0.000 0.810 110 E CB -0.135 29.562 29.700 -0.004 0.000 0.742 110 E HN 0.271 nan 8.360 nan 0.000 0.466 111 I N 0.235 120.799 120.570 -0.010 0.000 2.333 111 I HA -0.195 3.976 4.170 0.001 0.000 0.246 111 I C 2.320 178.428 176.117 -0.016 0.000 1.106 111 I CA 0.373 61.665 61.300 -0.014 0.000 1.411 111 I CB 0.068 38.059 38.000 -0.015 0.000 1.082 111 I HN 0.073 nan 8.210 nan 0.000 0.420 112 V N 0.511 120.416 119.914 -0.015 0.000 2.287 112 V HA -0.292 3.829 4.120 0.001 0.000 0.248 112 V C 2.384 178.468 176.094 -0.015 0.000 1.053 112 V CA 1.664 63.955 62.300 -0.016 0.000 1.027 112 V CB -0.582 31.233 31.823 -0.013 0.000 0.646 112 V HN 0.463 nan 8.190 nan 0.000 0.447 113 Q N -0.711 119.082 119.800 -0.011 0.000 2.369 113 Q HA -0.098 4.243 4.340 0.001 0.000 0.206 113 Q C 2.204 178.198 176.000 -0.010 0.000 0.963 113 Q CA 1.469 57.267 55.803 -0.009 0.000 0.894 113 Q CB -0.366 28.369 28.738 -0.006 0.000 0.965 113 Q HN 0.622 nan 8.270 nan 0.000 0.475 114 T N 0.613 115.159 114.554 -0.013 0.000 3.035 114 T HA 0.117 4.468 4.350 0.001 0.000 0.259 114 T C 1.882 176.569 174.700 -0.021 0.000 1.078 114 T CA 0.291 62.383 62.100 -0.014 0.000 1.132 114 T CB 0.193 69.053 68.868 -0.014 0.000 0.900 114 T HN 0.142 nan 8.240 nan 0.000 0.480 115 L N 0.191 121.398 121.223 -0.026 0.000 2.307 115 L HA 0.217 4.558 4.340 0.001 0.000 0.211 115 L C 2.197 179.042 176.870 -0.042 0.000 1.099 115 L CA 0.319 55.135 54.840 -0.040 0.000 0.816 115 L CB -0.438 41.593 42.059 -0.046 0.000 0.952 115 L HN 0.203 nan 8.230 nan 0.000 0.455 116 L N 0.551 121.757 121.223 -0.028 0.000 1.978 116 L HA -0.226 4.115 4.340 0.001 0.000 0.218 116 L C -0.182 176.679 176.870 -0.016 0.000 1.075 116 L CA 1.956 56.783 54.840 -0.021 0.000 0.767 116 L CB -1.858 40.194 42.059 -0.011 0.000 0.890 116 L HN 0.205 nan 8.230 nan 0.000 0.434 117 P HA -0.212 nan 4.420 nan 0.000 0.219 117 P C 1.255 178.557 177.300 0.004 0.000 1.144 117 P CA 1.437 64.538 63.100 0.003 0.000 0.806 117 P CB -0.116 31.585 31.700 0.002 0.000 0.771 118 R N -0.758 119.729 120.500 -0.023 0.000 2.300 118 R HA 0.267 4.607 4.340 0.001 0.000 0.199 118 R C 0.268 176.499 176.300 -0.114 0.000 0.920 118 R CA -0.020 56.053 56.100 -0.046 0.000 1.046 118 R CB 0.056 30.315 30.300 -0.068 0.000 0.984 118 R HN 0.012 nan 8.270 nan 0.000 0.493 119 A N 1.343 124.109 122.820 -0.090 0.000 2.404 119 A HA 0.263 4.583 4.320 0.001 0.000 0.273 119 A C -0.283 177.316 177.584 0.025 0.000 1.144 119 A CA -0.443 51.518 52.037 -0.126 0.000 0.806 119 A CB -0.180 18.779 19.000 -0.068 0.000 1.080 119 A HN 0.290 nan 8.150 nan 0.000 0.509 120 F N 1.047 120.999 119.950 0.003 0.000 2.587 120 F HA 0.150 4.677 4.527 0.001 0.000 0.327 120 F C 0.756 176.558 175.800 0.004 0.000 1.232 120 F CA 0.199 58.202 58.000 0.004 0.000 1.353 120 F CB 0.442 39.445 39.000 0.005 0.000 1.156 120 F HN 0.341 nan 8.300 nan 0.000 0.599 121 I N 1.109 121.807 120.570 0.214 0.000 2.530 121 I HA 0.359 4.530 4.170 0.001 0.000 0.297 121 I C -0.253 175.914 176.117 0.083 0.000 1.011 121 I CA -0.801 60.566 61.300 0.111 0.000 1.107 121 I CB 2.086 40.129 38.000 0.072 0.000 1.285 121 I HN 0.492 nan 8.210 nan 0.000 0.436 122 R N 5.672 126.210 120.500 0.063 0.000 2.393 122 R HA 0.547 4.888 4.340 0.001 0.000 0.310 122 R C -0.958 175.360 176.300 0.029 0.000 0.968 122 R CA -0.632 55.496 56.100 0.046 0.000 0.867 122 R CB 1.093 31.420 30.300 0.045 0.000 1.124 122 R HN 0.608 nan 8.270 nan 0.000 0.450 123 R N 2.272 122.783 120.500 0.019 0.000 2.343 123 R HA 0.288 4.629 4.340 0.001 0.000 0.320 123 R C -1.027 175.273 176.300 0.000 0.000 0.956 123 R CA -0.593 55.510 56.100 0.006 0.000 0.836 123 R CB 2.002 32.301 30.300 -0.001 0.000 1.151 123 R HN 0.773 nan 8.270 nan 0.000 0.450 124 S N 0.674 116.368 115.700 -0.009 0.000 2.521 124 S HA 0.562 5.033 4.470 0.001 0.000 0.295 124 S C -0.489 174.072 174.600 -0.065 0.000 1.098 124 S CA -0.818 57.371 58.200 -0.018 0.000 0.999 124 S CB 2.165 65.366 63.200 0.001 0.000 1.034 124 S HN 0.332 nan 8.310 nan 0.000 0.483 125 S N 1.559 117.185 115.700 -0.122 0.000 2.503 125 S HA 0.734 5.204 4.470 0.001 0.000 0.301 125 S C -0.688 173.729 174.600 -0.305 0.000 1.087 125 S CA -0.720 57.309 58.200 -0.285 0.000 1.042 125 S CB 1.648 64.567 63.200 -0.469 0.000 1.043 125 S HN 0.791 nan 8.310 nan 0.000 0.489 126 T N 3.291 117.643 114.554 -0.337 0.000 2.912 126 T HA 0.431 4.782 4.350 0.001 0.000 0.326 126 T C -0.660 173.898 174.700 -0.238 0.000 1.080 126 T CA -0.313 61.663 62.100 -0.207 0.000 1.000 126 T CB -0.231 68.598 68.868 -0.065 0.000 1.008 126 T HN 0.329 nan 8.240 nan 0.000 0.473 127 F N 2.278 122.197 119.950 -0.051 0.000 2.418 127 F HA 0.633 5.161 4.527 0.001 0.000 0.341 127 F C 0.866 176.673 175.800 0.011 0.000 1.120 127 F CA -0.481 57.521 58.000 0.003 0.000 1.232 127 F CB 0.671 39.700 39.000 0.049 0.000 1.175 127 F HN 0.591 nan 8.300 nan 0.000 0.569 128 A N 1.349 124.414 122.820 0.409 0.000 2.566 128 A HA 0.946 5.267 4.320 0.001 0.000 0.292 128 A C -1.508 176.387 177.584 0.518 0.000 1.112 128 A CA -0.481 51.791 52.037 0.392 0.000 0.707 128 A CB 1.373 20.518 19.000 0.242 0.000 1.302 128 A HN 1.016 nan 8.150 nan 0.000 0.409 129 A N 0.267 123.377 122.820 0.482 0.000 2.413 129 A HA 0.844 5.165 4.320 0.001 0.000 0.307 129 A C -1.093 176.688 177.584 0.327 0.000 1.087 129 A CA -0.456 51.846 52.037 0.441 0.000 0.750 129 A CB 0.915 20.128 19.000 0.354 0.000 1.296 129 A HN 0.885 nan 8.150 nan 0.000 0.423 130 I N 1.247 122.032 120.570 0.357 0.000 2.503 130 I HA 0.489 4.660 4.170 0.001 0.000 0.282 130 I C 0.168 176.448 176.117 0.271 0.000 1.059 130 I CA -0.333 61.152 61.300 0.308 0.000 1.081 130 I CB 1.985 40.210 38.000 0.374 0.000 1.210 130 I HN 0.666 nan 8.210 nan 0.000 0.450 131 A N 7.487 130.444 122.820 0.228 0.000 2.801 131 A HA 0.598 4.919 4.320 0.001 0.000 0.344 131 A C -1.967 175.700 177.584 0.139 0.000 1.322 131 A CA -1.438 50.758 52.037 0.264 0.000 0.913 131 A CB -0.024 19.217 19.000 0.401 0.000 1.140 131 A HN 0.441 nan 8.150 nan 0.000 0.487 132 P HA -0.198 nan 4.420 nan 0.000 0.218 132 P C 1.799 179.115 177.300 0.027 0.000 1.146 132 P CA 1.736 64.868 63.100 0.052 0.000 0.813 132 P CB 0.370 32.097 31.700 0.044 0.000 0.778 133 S N -1.557 114.132 115.700 -0.018 0.000 2.423 133 S HA -0.041 4.430 4.470 0.001 0.000 0.231 133 S C 1.511 176.142 174.600 0.051 0.000 1.014 133 S CA 0.864 59.048 58.200 -0.027 0.000 0.965 133 S CB -0.709 62.406 63.200 -0.142 0.000 0.785 133 S HN 0.045 nan 8.310 nan 0.000 0.495 134 L N 0.264 121.556 121.223 0.115 0.000 2.616 134 L HA 0.331 4.672 4.340 0.001 0.000 0.229 134 L C 1.515 178.454 176.870 0.114 0.000 1.110 134 L CA 0.397 55.317 54.840 0.133 0.000 0.884 134 L CB -0.023 42.143 42.059 0.177 0.000 1.115 134 L HN 0.457 nan 8.230 nan 0.000 0.481 135 G N 0.970 109.828 108.800 0.098 0.000 2.225 135 G HA2 -0.280 3.681 3.960 0.001 0.000 0.267 135 G HA3 -0.280 3.681 3.960 0.001 0.000 0.267 135 G C -0.048 174.910 174.900 0.097 0.000 1.024 135 G CA 0.551 45.702 45.100 0.086 0.000 0.784 135 G HN 0.272 nan 8.290 nan 0.000 0.507 136 L N -1.436 119.859 121.223 0.119 0.000 2.341 136 L HA 0.778 5.119 4.340 0.001 0.000 0.254 136 L C 0.117 177.076 176.870 0.148 0.000 1.040 136 L CA -1.389 53.530 54.840 0.130 0.000 0.837 136 L CB 2.142 44.280 42.059 0.132 0.000 1.425 136 L HN -0.003 nan 8.230 nan 0.000 0.414 137 I N 2.138 122.811 120.570 0.172 0.000 2.447 137 I HA 0.386 4.557 4.170 0.001 0.000 0.287 137 I C -1.108 175.135 176.117 0.210 0.000 1.023 137 I CA -0.392 61.013 61.300 0.176 0.000 1.083 137 I CB 1.952 40.028 38.000 0.126 0.000 1.245 137 I HN 0.265 nan 8.210 nan 0.000 0.434 138 L N 7.089 128.439 121.223 0.212 0.000 2.298 138 L HA 0.570 4.910 4.340 0.001 0.000 0.284 138 L C -0.531 176.553 176.870 0.356 0.000 1.013 138 L CA -0.926 54.065 54.840 0.251 0.000 0.824 138 L CB 1.671 43.809 42.059 0.133 0.000 1.221 138 L HN 0.231 nan 8.230 nan 0.000 0.418 139 V N 1.320 121.389 119.914 0.259 0.000 2.481 139 V HA 0.125 4.246 4.120 0.001 0.000 0.286 139 V C 0.133 176.210 176.094 -0.029 0.000 1.042 139 V CA -0.402 61.977 62.300 0.132 0.000 0.928 139 V CB 1.920 33.799 31.823 0.094 0.000 0.986 139 V HN 0.660 nan 8.190 nan 0.000 0.462 140 D N 3.048 123.222 120.400 -0.376 0.000 2.994 140 D HA 0.243 4.884 4.640 0.001 0.000 0.240 140 D C 0.035 176.229 176.300 -0.178 0.000 1.195 140 D CA 0.524 54.139 54.000 -0.641 0.000 0.957 140 D CB 0.140 40.194 40.800 -1.243 0.000 1.105 140 D HN 0.547 nan 8.370 nan 0.000 0.477 141 S N -0.491 115.185 115.700 -0.040 0.000 2.618 141 S HA 0.723 5.194 4.470 0.001 0.000 0.277 141 S C 0.224 174.861 174.600 0.063 0.000 1.138 141 S CA -0.131 58.082 58.200 0.021 0.000 0.844 141 S CB 1.440 64.655 63.200 0.024 0.000 1.127 141 S HN 0.116 nan 8.310 nan 0.000 0.474 142 A N 1.189 124.046 122.820 0.062 0.000 2.127 142 A HA 0.462 4.783 4.320 0.001 0.000 0.204 142 A C 0.879 178.498 177.584 0.058 0.000 1.243 142 A CA 0.332 52.411 52.037 0.070 0.000 0.887 142 A CB -0.334 18.706 19.000 0.067 0.000 0.933 142 A HN 0.785 nan 8.150 nan 0.000 0.479 143 S N 0.494 116.222 115.700 0.047 0.000 2.448 143 S HA 0.474 4.945 4.470 0.001 0.000 0.279 143 S C 1.236 175.866 174.600 0.049 0.000 1.195 143 S CA 0.089 58.310 58.200 0.036 0.000 1.051 143 S CB 0.986 64.196 63.200 0.017 0.000 0.948 143 S HN 0.689 nan 8.310 nan 0.000 0.493 144 A N 5.665 128.518 122.820 0.054 0.000 1.972 144 A HA -0.039 4.282 4.320 0.001 0.000 0.219 144 A C 2.101 179.719 177.584 0.057 0.000 1.169 144 A CA 1.582 53.669 52.037 0.083 0.000 0.635 144 A CB -0.487 18.554 19.000 0.067 0.000 0.810 144 A HN 0.783 nan 8.150 nan 0.000 0.446 145 K N 0.284 120.697 120.400 0.020 0.000 1.978 145 K HA -0.119 4.202 4.320 0.001 0.000 0.214 145 K C 1.976 178.555 176.600 -0.036 0.000 1.049 145 K CA 2.014 58.293 56.287 -0.012 0.000 0.939 145 K CB -0.263 32.221 32.500 -0.027 0.000 0.721 145 K HN 0.425 nan 8.250 nan 0.000 0.441 146 K N -0.461 119.919 120.400 -0.034 0.000 2.160 146 K HA -0.164 4.157 4.320 0.001 0.000 0.206 146 K C 1.999 178.584 176.600 -0.026 0.000 1.047 146 K CA 1.317 57.573 56.287 -0.051 0.000 0.930 146 K CB -0.189 32.297 32.500 -0.023 0.000 0.720 146 K HN 0.258 nan 8.250 nan 0.000 0.450 147 A N 1.080 123.907 122.820 0.011 0.000 1.929 147 A HA -0.170 4.151 4.320 0.001 0.000 0.216 147 A C 1.854 179.417 177.584 -0.034 0.000 1.176 147 A CA 1.375 53.420 52.037 0.014 0.000 0.628 147 A CB -0.239 18.831 19.000 0.117 0.000 0.816 147 A HN 0.242 nan 8.150 nan 0.000 0.444 148 E N 0.245 120.440 120.200 -0.009 0.000 2.072 148 E HA -0.151 4.200 4.350 0.001 0.000 0.191 148 E C 1.509 178.086 176.600 -0.039 0.000 0.985 148 E CA 1.325 57.714 56.400 -0.019 0.000 0.801 148 E CB -0.137 29.562 29.700 -0.002 0.000 0.750 148 E HN 0.532 nan 8.360 nan 0.000 0.452 149 D N 0.530 120.879 120.400 -0.086 0.000 2.104 149 D HA -0.178 4.463 4.640 0.001 0.000 0.194 149 D C 1.827 178.165 176.300 0.063 0.000 0.994 149 D CA 0.629 54.534 54.000 -0.158 0.000 0.830 149 D CB -0.339 40.166 40.800 -0.493 0.000 0.959 149 D HN 0.074 nan 8.370 nan 0.000 0.452 150 L N 0.768 122.050 121.223 0.098 0.000 1.989 150 L HA -0.145 4.196 4.340 0.001 0.000 0.211 150 L C 2.151 179.078 176.870 0.095 0.000 1.071 150 L CA 1.557 56.464 54.840 0.112 0.000 0.749 150 L CB -0.966 41.117 42.059 0.039 0.000 0.890 150 L HN 0.107 nan 8.230 nan 0.000 0.431 151 L N -0.714 120.520 121.223 0.017 0.000 2.093 151 L HA -0.167 4.174 4.340 0.001 0.000 0.208 151 L C 2.724 179.623 176.870 0.048 0.000 1.085 151 L CA 1.297 56.135 54.840 -0.003 0.000 0.755 151 L CB -0.619 41.353 42.059 -0.145 0.000 0.904 151 L HN 0.296 nan 8.230 nan 0.000 0.435 152 S N -1.034 114.695 115.700 0.047 0.000 2.428 152 S HA -0.123 4.348 4.470 0.001 0.000 0.230 152 S C 1.884 176.548 174.600 0.107 0.000 1.014 152 S CA 1.586 59.820 58.200 0.056 0.000 0.957 152 S CB -0.080 63.135 63.200 0.024 0.000 0.784 152 S HN 0.403 nan 8.310 nan 0.000 0.499 153 T N 1.623 116.280 114.554 0.171 0.000 3.035 153 T HA 0.164 4.515 4.350 0.001 0.000 0.259 153 T C 1.459 176.358 174.700 0.332 0.000 1.078 153 T CA 0.529 62.773 62.100 0.239 0.000 1.132 153 T CB -0.084 68.938 68.868 0.257 0.000 0.900 153 T HN 0.271 nan 8.240 nan 0.000 0.480 154 L N 1.257 122.681 121.223 0.335 0.000 2.341 154 L HA 0.291 4.632 4.340 0.001 0.000 0.214 154 L C 2.246 179.183 176.870 0.111 0.000 1.115 154 L CA 1.243 56.251 54.840 0.281 0.000 0.820 154 L CB -0.238 41.979 42.059 0.264 0.000 0.944 154 L HN -0.072 nan 8.230 nan 0.000 0.452 155 R N -0.327 120.234 120.500 0.102 0.000 2.189 155 R HA -0.074 4.266 4.340 0.001 0.000 0.218 155 R C 1.834 178.164 176.300 0.051 0.000 1.074 155 R CA 1.214 57.350 56.100 0.059 0.000 0.991 155 R CB -0.164 30.167 30.300 0.051 0.000 0.883 155 R HN 0.357 nan 8.270 nan 0.000 0.457 156 E N -0.113 120.130 120.200 0.071 0.000 2.102 156 E HA 0.099 4.450 4.350 0.001 0.000 0.190 156 E C 1.025 177.645 176.600 0.033 0.000 0.971 156 E CA 1.112 57.545 56.400 0.055 0.000 0.821 156 E CB -0.266 29.480 29.700 0.075 0.000 0.777 156 E HN 0.314 nan 8.360 nan 0.000 0.460 157 A N 0.708 123.546 122.820 0.031 0.000 2.324 157 A HA 0.244 4.565 4.320 0.001 0.000 0.240 157 A C 1.393 178.938 177.584 -0.064 0.000 1.347 157 A CA 0.356 52.369 52.037 -0.039 0.000 1.036 157 A CB -0.543 18.381 19.000 -0.126 0.000 0.917 157 A HN 0.218 nan 8.150 nan 0.000 0.519 158 L N -3.991 117.215 121.223 -0.027 0.000 3.705 158 L HA 0.268 4.608 4.340 0.001 0.000 0.382 158 L C 1.590 178.454 176.870 -0.010 0.000 0.971 158 L CA 0.763 55.586 54.840 -0.028 0.000 1.566 158 L CB 0.090 42.134 42.059 -0.024 0.000 2.300 158 L HN 0.567 nan 8.230 nan 0.000 0.609 159 G N 0.598 109.399 108.800 0.002 0.000 2.396 159 G HA2 -0.335 3.626 3.960 0.001 0.000 0.242 159 G HA3 -0.335 3.626 3.960 0.001 0.000 0.242 159 G C 0.367 175.273 174.900 0.010 0.000 1.069 159 G CA 0.541 45.644 45.100 0.006 0.000 0.633 159 G HN 0.476 nan 8.290 nan 0.000 0.517 160 S N -0.664 115.041 115.700 0.010 0.000 2.668 160 S HA 0.639 5.110 4.470 0.001 0.000 0.277 160 S C -1.399 173.212 174.600 0.019 0.000 1.170 160 S CA -0.246 57.962 58.200 0.014 0.000 0.994 160 S CB 1.377 64.584 63.200 0.012 0.000 1.051 160 S HN 1.434 nan 8.310 nan 0.000 0.484 161 L N 7.250 128.488 121.223 0.025 0.000 2.481 161 L HA 0.563 4.904 4.340 0.001 0.000 0.255 161 L C -2.438 174.454 176.870 0.036 0.000 1.192 161 L CA -1.499 53.360 54.840 0.031 0.000 0.924 161 L CB 1.628 43.706 42.059 0.031 0.000 1.179 161 L HN 0.428 nan 8.230 nan 0.000 0.491 162 P HA 0.162 nan 4.420 nan 0.000 0.264 162 P C -0.902 176.430 177.300 0.053 0.000 1.537 162 P CA 0.286 63.410 63.100 0.040 0.000 1.189 162 P CB 0.293 32.013 31.700 0.034 0.000 1.687 163 V N 1.784 121.737 119.914 0.064 0.000 2.932 163 V HA 0.765 4.886 4.120 0.001 0.000 0.307 163 V C -0.545 175.627 176.094 0.129 0.000 1.147 163 V CA -1.239 61.121 62.300 0.100 0.000 0.951 163 V CB 2.634 34.522 31.823 0.109 0.000 1.031 163 V HN 0.527 nan 8.190 nan 0.000 0.426 164 R N 2.011 122.596 120.500 0.142 0.000 2.795 164 R HA 0.817 5.158 4.340 0.001 0.000 0.275 164 R C -3.203 173.149 176.300 0.086 0.000 0.981 164 R CA -2.049 54.117 56.100 0.111 0.000 0.917 164 R CB 2.001 32.317 30.300 0.028 0.000 1.202 164 R HN 0.451 nan 8.270 nan 0.000 0.469 165 P HA -0.010 nan 4.420 nan 0.000 0.271 165 P C -0.476 176.640 177.300 -0.307 0.000 1.216 165 P CA -0.510 62.339 63.100 -0.418 0.000 0.776 165 P CB 0.444 31.950 31.700 -0.324 0.000 0.881 166 L N 2.861 123.860 121.223 -0.374 0.000 2.543 166 L HA 0.204 4.544 4.340 0.001 0.000 0.285 166 L C 0.240 176.969 176.870 -0.235 0.000 1.236 166 L CA 1.316 55.987 54.840 -0.281 0.000 0.871 166 L CB -0.051 41.850 42.059 -0.264 0.000 1.121 166 L HN 0.339 nan 8.230 nan 0.000 0.501 167 S N 3.669 119.232 115.700 -0.228 0.000 2.540 167 S HA 0.777 5.248 4.470 0.001 0.000 0.275 167 S C -0.936 173.553 174.600 -0.185 0.000 1.123 167 S CA -0.236 57.858 58.200 -0.176 0.000 0.907 167 S CB 1.206 64.323 63.200 -0.138 0.000 1.081 167 S HN 0.885 nan 8.310 nan 0.000 0.476 168 V N 3.086 122.912 119.914 -0.145 0.000 2.881 168 V HA 0.687 4.808 4.120 0.001 0.000 0.316 168 V C 1.174 177.207 176.094 -0.102 0.000 1.070 168 V CA -0.817 61.405 62.300 -0.130 0.000 0.976 168 V CB 1.475 33.230 31.823 -0.113 0.000 1.038 168 V HN 0.874 nan 8.190 nan 0.000 0.446 169 K N 1.099 121.447 120.400 -0.085 0.000 1.978 169 K HA 0.015 4.335 4.320 0.001 0.000 0.214 169 K C 0.699 177.258 176.600 -0.068 0.000 1.049 169 K CA 1.379 57.625 56.287 -0.067 0.000 0.939 169 K CB -0.329 32.141 32.500 -0.050 0.000 0.721 169 K HN 0.612 nan 8.250 nan 0.000 0.441 170 V N 1.944 121.813 119.914 -0.076 0.000 2.546 170 V HA 0.210 4.330 4.120 0.001 0.000 0.284 170 V C 0.284 176.315 176.094 -0.105 0.000 1.050 170 V CA -0.949 61.301 62.300 -0.085 0.000 0.981 170 V CB 1.117 32.884 31.823 -0.092 0.000 0.990 170 V HN 0.318 nan 8.190 nan 0.000 0.474 171 A N 6.327 129.089 122.820 -0.096 0.000 2.546 171 A HA 0.262 4.583 4.320 0.001 0.000 0.243 171 A C -1.219 176.283 177.584 -0.138 0.000 1.063 171 A CA -0.538 51.439 52.037 -0.101 0.000 0.757 171 A CB -0.246 18.705 19.000 -0.082 0.000 0.991 171 A HN 0.765 nan 8.150 nan 0.000 0.503 172 P HA -0.162 nan 4.420 nan 0.000 0.215 172 P C 1.839 179.015 177.300 -0.207 0.000 1.157 172 P CA 1.938 64.922 63.100 -0.194 0.000 0.868 172 P CB 0.050 31.663 31.700 -0.145 0.000 0.788 173 T N -1.268 113.200 114.554 -0.142 0.000 2.737 173 T HA -0.227 4.123 4.350 0.001 0.000 0.269 173 T C 1.700 176.320 174.700 -0.134 0.000 1.040 173 T CA 1.751 63.778 62.100 -0.122 0.000 1.142 173 T CB -0.810 68.009 68.868 -0.082 0.000 0.861 173 T HN 0.005 nan 8.240 nan 0.000 0.456 174 A N 0.012 122.750 122.820 -0.137 0.000 1.929 174 A HA 0.001 4.322 4.320 0.001 0.000 0.216 174 A C 2.588 180.058 177.584 -0.190 0.000 1.176 174 A CA 2.104 54.065 52.037 -0.126 0.000 0.628 174 A CB -1.031 17.909 19.000 -0.101 0.000 0.816 174 A HN 0.554 nan 8.150 nan 0.000 0.444 175 T N 0.485 114.861 114.554 -0.297 0.000 2.812 175 T HA -0.016 4.335 4.350 0.001 0.000 0.264 175 T C 1.806 176.057 174.700 -0.749 0.000 1.042 175 T CA 1.316 63.099 62.100 -0.529 0.000 1.140 175 T CB -0.320 68.159 68.868 -0.647 0.000 0.870 175 T HN 0.355 nan 8.240 nan 0.000 0.445 176 L N 0.667 121.573 121.223 -0.528 0.000 2.056 176 L HA -0.087 4.254 4.340 0.001 0.000 0.207 176 L C 2.926 179.735 176.870 -0.103 0.000 1.078 176 L CA 1.150 55.788 54.840 -0.337 0.000 0.749 176 L CB -1.146 40.795 42.059 -0.195 0.000 0.901 176 L HN 0.257 nan 8.230 nan 0.000 0.433 177 T N -0.989 113.506 114.554 -0.098 0.000 2.684 177 T HA -0.243 4.108 4.350 0.001 0.000 0.267 177 T C 1.504 176.220 174.700 0.027 0.000 1.036 177 T CA 1.869 63.957 62.100 -0.020 0.000 1.148 177 T CB -0.282 68.568 68.868 -0.030 0.000 0.863 177 T HN 0.326 nan 8.240 nan 0.000 0.436 178 D N -0.328 120.069 120.400 -0.004 0.000 2.117 178 D HA -0.117 4.524 4.640 0.001 0.000 0.197 178 D C 1.687 178.119 176.300 0.220 0.000 0.987 178 D CA 0.926 54.968 54.000 0.070 0.000 0.829 178 D CB -0.092 40.726 40.800 0.030 0.000 0.961 178 D HN 0.366 nan 8.370 nan 0.000 0.460 179 W N 0.363 121.663 121.300 -0.000 0.000 2.338 179 W HA -0.096 4.565 4.660 0.001 0.000 0.304 179 W C 2.398 178.926 176.519 0.015 0.000 1.212 179 W CA 0.551 57.901 57.345 0.007 0.000 1.264 179 W CB -1.170 28.289 29.460 -0.002 0.000 1.142 179 W HN -0.050 nan 8.180 nan 0.000 0.512 180 V N 0.206 120.270 119.914 0.250 0.000 2.379 180 V HA -0.205 3.916 4.120 0.001 0.000 0.245 180 V C 2.537 178.696 176.094 0.109 0.000 1.044 180 V CA 1.532 63.921 62.300 0.148 0.000 1.036 180 V CB -0.785 31.104 31.823 0.109 0.000 0.664 180 V HN -0.066 nan 8.190 nan 0.000 0.453 181 K N 1.133 121.595 120.400 0.104 0.000 2.032 181 K HA -0.176 4.145 4.320 0.001 0.000 0.209 181 K C 2.276 178.921 176.600 0.075 0.000 1.048 181 K CA 2.348 58.682 56.287 0.077 0.000 0.927 181 K CB -0.748 31.792 32.500 0.066 0.000 0.712 181 K HN 0.667 nan 8.250 nan 0.000 0.441 182 T N -1.558 113.053 114.554 0.095 0.000 3.100 182 T HA 0.031 4.382 4.350 0.001 0.000 0.253 182 T C 0.216 174.955 174.700 0.065 0.000 1.118 182 T CA 0.071 62.218 62.100 0.078 0.000 1.058 182 T CB -0.096 68.827 68.868 0.091 0.000 0.953 182 T HN 0.343 nan 8.240 nan 0.000 0.515 183 Q N 0.493 120.337 119.800 0.073 0.000 2.470 183 Q HA -0.146 4.195 4.340 0.001 0.000 0.294 183 Q C -0.766 175.248 176.000 0.024 0.000 1.356 183 Q CA 0.682 56.515 55.803 0.050 0.000 0.805 183 Q CB -2.013 26.748 28.738 0.038 0.000 1.157 183 Q HN 0.776 nan 8.270 nan 0.000 0.431 184 E N -1.321 118.883 120.200 0.006 0.000 2.537 184 E HA 0.599 4.949 4.350 0.001 0.000 0.301 184 E C -1.434 175.011 176.600 -0.258 0.000 0.990 184 E CA 0.091 56.443 56.400 -0.080 0.000 0.828 184 E CB 1.582 31.263 29.700 -0.032 0.000 1.243 184 E HN 0.277 nan 8.360 nan 0.000 0.414 185 A N 1.447 123.931 122.820 -0.560 0.000 2.313 185 A HA 0.895 5.216 4.320 0.001 0.000 0.323 185 A C -0.319 176.804 177.584 -0.767 0.000 1.133 185 A CA -0.067 51.087 52.037 -1.472 0.000 0.847 185 A CB 1.221 19.055 19.000 -1.943 0.000 1.308 185 A HN 0.641 nan 8.150 nan 0.000 0.475 186 A N 0.106 122.555 122.820 -0.618 0.000 2.561 186 A HA 0.456 4.777 4.320 0.001 0.000 0.234 186 A C 1.124 178.745 177.584 0.063 0.000 1.055 186 A CA 0.433 52.462 52.037 -0.013 0.000 0.756 186 A CB -0.793 18.366 19.000 0.266 0.000 0.986 186 A HN 2.382 nan 8.150 nan 0.000 0.505 187 G N 1.853 110.708 108.800 0.092 0.000 2.487 187 G HA2 0.145 4.105 3.960 0.001 0.000 0.265 187 G HA3 0.145 4.105 3.960 0.001 0.000 0.265 187 G C 0.422 175.387 174.900 0.108 0.000 0.661 187 G CA 0.937 46.087 45.100 0.084 0.000 1.031 187 G HN 1.090 nan 8.290 nan 0.000 0.296 188 D N 0.319 120.671 120.400 -0.080 0.000 2.439 188 D HA -0.185 4.456 4.640 0.001 0.000 0.172 188 D C 0.531 176.512 176.300 -0.531 0.000 1.026 188 D CA 1.570 55.410 54.000 -0.266 0.000 1.043 188 D CB -1.239 39.463 40.800 -0.163 0.000 1.098 188 D HN 0.443 nan 8.370 nan 0.000 0.467 189 F N 1.067 120.841 119.950 -0.294 0.000 2.389 189 F HA 0.365 4.892 4.527 0.001 0.000 0.337 189 F C 1.309 176.738 175.800 -0.617 0.000 1.112 189 F CA 0.269 58.102 58.000 -0.279 0.000 1.192 189 F CB 0.741 39.613 39.000 -0.213 0.000 1.185 189 F HN -0.118 nan 8.300 nan 0.000 0.552 190 H N 1.497 120.632 119.070 0.109 0.000 2.689 190 H HA 0.313 4.870 4.556 0.001 0.000 0.346 190 H C -0.917 174.418 175.328 0.012 0.000 1.037 190 H CA -0.758 55.292 56.048 0.003 0.000 1.234 190 H CB 1.639 31.392 29.762 -0.015 0.000 1.572 190 H HN 0.246 nan 8.280 nan 0.000 0.524 191 V N 5.444 125.408 119.914 0.084 0.000 2.479 191 V HA 0.017 4.137 4.120 0.001 0.000 0.281 191 V C 1.222 177.355 176.094 0.064 0.000 1.031 191 V CA 0.164 62.508 62.300 0.074 0.000 1.038 191 V CB -0.012 31.853 31.823 0.071 0.000 0.981 191 V HN 0.534 nan 8.190 nan 0.000 0.478 192 L N 3.863 125.111 121.223 0.042 0.000 2.822 192 L HA 0.343 4.684 4.340 0.001 0.000 0.153 192 L C 1.095 177.973 176.870 0.012 0.000 1.695 192 L CA -0.258 54.593 54.840 0.019 0.000 2.336 192 L CB 0.024 42.082 42.059 -0.000 0.000 2.854 192 L HN 0.779 nan 8.230 nan 0.000 0.610 193 D N -1.635 118.766 120.400 0.001 0.000 2.593 193 D HA 0.123 4.764 4.640 0.001 0.000 0.241 193 D C -0.165 176.136 176.300 0.001 0.000 1.257 193 D CA -0.155 53.847 54.000 0.003 0.000 0.828 193 D CB 0.319 41.118 40.800 -0.001 0.000 1.049 193 D HN 0.398 nan 8.370 nan 0.000 0.490 194 E N -0.139 120.060 120.200 -0.003 0.000 2.331 194 E HA 0.584 4.935 4.350 0.001 0.000 0.275 194 E C -1.381 175.213 176.600 -0.009 0.000 0.895 194 E CA -0.837 55.558 56.400 -0.007 0.000 0.753 194 E CB 2.156 31.849 29.700 -0.012 0.000 1.216 194 E HN 0.344 nan 8.360 nan 0.000 0.434 195 C N 1.101 120.393 119.300 -0.014 0.000 3.259 195 C HA 0.681 5.142 4.460 0.001 0.000 0.344 195 C C -1.425 173.545 174.990 -0.033 0.000 1.401 195 C CA -0.840 58.167 59.018 -0.018 0.000 1.219 195 C CB 1.134 28.870 27.740 -0.007 0.000 1.521 195 C HN 0.956 nan 8.230 nan 0.000 0.455 196 E N 0.857 121.032 120.200 -0.040 0.000 2.244 196 E HA 0.696 5.047 4.350 0.001 0.000 0.260 196 E C -1.535 175.023 176.600 -0.069 0.000 0.884 196 E CA -0.496 55.870 56.400 -0.056 0.000 0.777 196 E CB 1.185 30.858 29.700 -0.044 0.000 1.197 196 E HN 0.699 nan 8.360 nan 0.000 0.416 197 L N 4.678 125.839 121.223 -0.104 0.000 2.322 197 L HA 0.700 5.041 4.340 0.001 0.000 0.279 197 L C -0.050 176.755 176.870 -0.110 0.000 1.036 197 L CA -0.868 53.906 54.840 -0.110 0.000 0.807 197 L CB 1.444 43.401 42.059 -0.169 0.000 1.226 197 L HN 0.587 nan 8.230 nan 0.000 0.433 198 R N -0.291 120.157 120.500 -0.086 0.000 2.629 198 R HA 0.417 4.758 4.340 0.001 0.000 0.266 198 R C -1.694 174.548 176.300 -0.097 0.000 1.051 198 R CA -0.949 55.094 56.100 -0.095 0.000 0.895 198 R CB 1.315 31.558 30.300 -0.095 0.000 1.246 198 R HN 0.349 nan 8.270 nan 0.000 0.459 199 D N 1.390 121.702 120.400 -0.147 0.000 2.362 199 D HA 0.003 4.643 4.640 0.001 0.000 0.238 199 D C 0.918 177.093 176.300 -0.209 0.000 1.212 199 D CA 0.756 54.641 54.000 -0.191 0.000 0.902 199 D CB 1.427 41.988 40.800 -0.398 0.000 1.180 199 D HN 0.731 nan 8.370 nan 0.000 0.445 200 T N -1.783 112.716 114.554 -0.091 0.000 2.942 200 T HA -0.092 4.259 4.350 0.001 0.000 0.265 200 T C 0.924 175.619 174.700 -0.008 0.000 1.062 200 T CA 0.595 62.681 62.100 -0.023 0.000 1.139 200 T CB -0.494 68.402 68.868 0.047 0.000 0.883 200 T HN 0.567 nan 8.240 nan 0.000 0.468 201 H N 1.407 120.474 119.070 -0.006 0.000 2.745 201 H HA 0.348 4.904 4.556 0.001 0.000 0.373 201 H C 1.724 177.049 175.328 -0.006 0.000 1.226 201 H CA -0.225 55.819 56.048 -0.006 0.000 1.435 201 H CB 0.689 30.449 29.762 -0.003 0.000 1.461 201 H HN 0.367 nan 8.280 nan 0.000 0.616 202 E N 0.871 121.113 120.200 0.071 0.000 2.038 202 E HA -0.236 4.114 4.350 0.001 0.000 0.195 202 E C 0.128 176.722 176.600 -0.010 0.000 1.000 202 E CA 1.457 57.864 56.400 0.011 0.000 0.803 202 E CB -0.137 29.579 29.700 0.026 0.000 0.750 202 E HN 0.707 nan 8.360 nan 0.000 0.448 203 D N 1.708 122.134 120.400 0.043 0.000 2.538 203 D HA 0.168 4.809 4.640 0.001 0.000 0.234 203 D C 0.469 176.778 176.300 0.015 0.000 1.191 203 D CA 0.355 54.375 54.000 0.032 0.000 0.828 203 D CB 0.156 40.992 40.800 0.060 0.000 0.981 203 D HN 0.259 nan 8.370 nan 0.000 0.490 204 G N -0.159 108.536 108.800 -0.176 0.000 2.653 204 G HA2 0.393 4.354 3.960 0.001 0.000 0.265 204 G HA3 0.393 4.354 3.960 0.001 0.000 0.265 204 G C 0.680 175.456 174.900 -0.207 0.000 1.237 204 G CA -0.387 44.418 45.100 -0.492 0.000 0.946 204 G HN 0.164 nan 8.290 nan 0.000 0.522 205 G N -2.199 106.504 108.800 -0.161 0.000 2.569 205 G HA2 0.459 4.420 3.960 0.001 0.000 0.249 205 G HA3 0.459 4.420 3.960 0.001 0.000 0.249 205 G C -0.873 173.973 174.900 -0.090 0.000 1.216 205 G CA -0.150 44.908 45.100 -0.071 0.000 0.845 205 G HN 0.816 nan 8.290 nan 0.000 0.568 206 V N 0.535 120.409 119.914 -0.067 0.000 2.668 206 V HA 0.428 4.548 4.120 0.001 0.000 0.304 206 V C -0.564 175.479 176.094 -0.085 0.000 1.071 206 V CA -0.641 61.612 62.300 -0.079 0.000 0.894 206 V CB 1.892 33.677 31.823 -0.064 0.000 1.008 206 V HN 0.583 nan 8.190 nan 0.000 0.425 207 V N 5.309 125.143 119.914 -0.132 0.000 2.531 207 V HA 0.591 4.712 4.120 0.001 0.000 0.301 207 V C -0.207 175.804 176.094 -0.139 0.000 1.034 207 V CA -0.719 61.480 62.300 -0.169 0.000 0.865 207 V CB 2.088 33.678 31.823 -0.389 0.000 0.995 207 V HN 0.822 nan 8.190 nan 0.000 0.424 208 R N 2.986 123.434 120.500 -0.087 0.000 2.437 208 R HA 0.652 4.993 4.340 0.001 0.000 0.310 208 R C -1.400 174.873 176.300 -0.044 0.000 0.955 208 R CA -0.469 55.595 56.100 -0.060 0.000 0.851 208 R CB 1.831 32.108 30.300 -0.038 0.000 1.161 208 R HN 0.647 nan 8.270 nan 0.000 0.446 209 C N 2.681 121.959 119.300 -0.037 0.000 2.319 209 C HA 0.450 4.911 4.460 0.001 0.000 0.323 209 C C 0.049 175.034 174.990 -0.009 0.000 1.277 209 C CA -0.831 58.176 59.018 -0.017 0.000 1.517 209 C CB 0.754 28.487 27.740 -0.012 0.000 2.206 209 C HN 0.674 nan 8.230 nan 0.000 0.486 210 K N 1.478 121.876 120.400 -0.003 0.000 2.259 210 K HA 0.496 4.817 4.320 0.001 0.000 0.252 210 K C 0.045 176.646 176.600 0.002 0.000 0.936 210 K CA -0.634 55.652 56.287 -0.001 0.000 0.810 210 K CB 1.103 33.602 32.500 -0.001 0.000 1.143 210 K HN 0.606 nan 8.250 nan 0.000 0.427 211 R N 1.285 121.785 120.500 0.000 0.000 3.405 211 R HA -0.194 4.147 4.340 0.001 0.000 0.258 211 R C -0.484 175.818 176.300 0.004 0.000 1.030 211 R CA 0.630 56.731 56.100 0.001 0.000 0.691 211 R CB -0.939 29.361 30.300 0.000 0.000 1.093 211 R HN 0.466 nan 8.270 nan 0.000 0.448 212 Q N 0.432 120.236 119.800 0.007 0.000 2.266 212 Q HA 0.152 4.493 4.340 0.001 0.000 0.261 212 Q C -0.409 175.599 176.000 0.014 0.000 0.985 212 Q CA -0.661 55.150 55.803 0.013 0.000 0.873 212 Q CB 1.549 30.299 28.738 0.020 0.000 1.306 212 Q HN 0.042 nan 8.270 nan 0.000 0.447 213 D N 2.347 122.757 120.400 0.016 0.000 2.359 213 D HA 0.060 4.701 4.640 0.001 0.000 0.250 213 D C 0.516 176.831 176.300 0.025 0.000 1.264 213 D CA 0.038 54.047 54.000 0.016 0.000 0.911 213 D CB 0.284 41.092 40.800 0.012 0.000 1.056 213 D HN 0.455 nan 8.370 nan 0.000 0.499 214 L N 3.001 124.241 121.223 0.029 0.000 2.700 214 L HA -0.025 4.316 4.340 0.001 0.000 0.240 214 L C 1.819 178.715 176.870 0.043 0.000 1.162 214 L CA 0.806 55.671 54.840 0.040 0.000 0.874 214 L CB -0.590 41.496 42.059 0.044 0.000 1.001 214 L HN 0.478 nan 8.230 nan 0.000 0.447 215 T N -4.975 109.599 114.554 0.034 0.000 3.069 215 T HA 0.098 4.449 4.350 0.001 0.000 0.252 215 T C 0.892 175.608 174.700 0.027 0.000 1.053 215 T CA -0.095 62.024 62.100 0.032 0.000 0.964 215 T CB -0.035 68.847 68.868 0.024 0.000 1.005 215 T HN 0.249 nan 8.240 nan 0.000 0.532 216 S N 0.953 116.670 115.700 0.029 0.000 2.603 216 S HA 0.295 4.765 4.470 0.001 0.000 0.268 216 S C 1.094 175.707 174.600 0.022 0.000 1.317 216 S CA -0.462 57.752 58.200 0.023 0.000 1.012 216 S CB 1.538 64.752 63.200 0.023 0.000 0.926 216 S HN 0.213 nan 8.310 nan 0.000 0.539 217 E N 1.061 121.268 120.200 0.011 0.000 2.204 217 E HA -0.171 4.180 4.350 0.001 0.000 0.195 217 E C 1.527 178.122 176.600 -0.009 0.000 0.990 217 E CA 1.755 58.157 56.400 0.002 0.000 0.821 217 E CB -0.392 29.306 29.700 -0.004 0.000 0.750 217 E HN 0.838 nan 8.360 nan 0.000 0.477 218 E N -0.101 120.096 120.200 -0.005 0.000 2.051 218 E HA -0.174 4.177 4.350 0.001 0.000 0.192 218 E C 1.899 178.499 176.600 -0.000 0.000 0.991 218 E CA 1.271 57.658 56.400 -0.023 0.000 0.799 218 E CB -0.136 29.571 29.700 0.013 0.000 0.748 218 E HN 0.302 nan 8.360 nan 0.000 0.449 219 I N 1.374 121.992 120.570 0.080 0.000 2.252 219 I HA -0.209 3.962 4.170 0.001 0.000 0.245 219 I C 2.342 178.528 176.117 0.115 0.000 1.102 219 I CA 1.195 62.593 61.300 0.162 0.000 1.385 219 I CB -1.177 36.890 38.000 0.112 0.000 1.064 219 I HN 0.144 nan 8.210 nan 0.000 0.414 220 Q N 0.317 120.149 119.800 0.054 0.000 2.112 220 Q HA -0.206 4.134 4.340 0.001 0.000 0.206 220 Q C 2.373 178.384 176.000 0.019 0.000 0.987 220 Q CA 1.384 57.209 55.803 0.038 0.000 0.858 220 Q CB -0.687 28.064 28.738 0.022 0.000 0.905 220 Q HN 0.349 nan 8.270 nan 0.000 0.420 221 L N 0.428 121.630 121.223 -0.035 0.000 2.079 221 L HA -0.189 4.152 4.340 0.001 0.000 0.210 221 L C 2.325 179.153 176.870 -0.069 0.000 1.081 221 L CA 1.660 56.452 54.840 -0.081 0.000 0.752 221 L CB -0.762 41.206 42.059 -0.152 0.000 0.896 221 L HN 0.324 nan 8.230 nan 0.000 0.433 222 H N -1.570 117.507 119.070 0.011 0.000 2.387 222 H HA -0.097 4.459 4.556 0.001 0.000 0.299 222 H C 2.150 177.484 175.328 0.010 0.000 1.090 222 H CA 1.442 57.496 56.048 0.010 0.000 1.332 222 H CB 0.016 29.782 29.762 0.007 0.000 1.386 222 H HN 0.176 nan 8.280 nan 0.000 0.516 223 L N 0.415 121.720 121.223 0.137 0.000 2.072 223 L HA -0.106 4.235 4.340 0.001 0.000 0.205 223 L C 2.644 179.546 176.870 0.053 0.000 1.079 223 L CA 1.969 56.857 54.840 0.080 0.000 0.752 223 L CB -1.034 41.065 42.059 0.067 0.000 0.906 223 L HN 0.372 nan 8.230 nan 0.000 0.436 224 T N -3.976 110.602 114.554 0.040 0.000 3.118 224 T HA 0.068 4.419 4.350 0.001 0.000 0.260 224 T C 1.566 176.283 174.700 0.027 0.000 1.139 224 T CA 0.651 62.767 62.100 0.027 0.000 1.085 224 T CB -0.225 68.651 68.868 0.015 0.000 0.934 224 T HN 0.202 nan 8.240 nan 0.000 0.518 225 A N 0.462 123.305 122.820 0.039 0.000 2.238 225 A HA 0.660 4.980 4.320 0.001 0.000 0.210 225 A C 2.001 179.619 177.584 0.057 0.000 1.179 225 A CA 0.516 52.579 52.037 0.044 0.000 0.827 225 A CB -0.651 18.380 19.000 0.051 0.000 0.856 225 A HN 1.128 nan 8.150 nan 0.000 0.488 226 G N -0.817 108.016 108.800 0.055 0.000 2.231 226 G HA2 -0.185 3.776 3.960 0.001 0.000 0.206 226 G HA3 -0.185 3.776 3.960 0.001 0.000 0.206 226 G C 0.256 175.183 174.900 0.046 0.000 0.996 226 G CA 0.033 45.165 45.100 0.053 0.000 0.645 226 G HN 0.467 nan 8.290 nan 0.000 0.498 227 K N 0.536 120.968 120.400 0.052 0.000 2.355 227 K HA 0.584 4.905 4.320 0.001 0.000 0.270 227 K C 0.230 176.836 176.600 0.010 0.000 1.003 227 K CA 0.181 56.482 56.287 0.023 0.000 0.957 227 K CB 0.687 33.203 32.500 0.028 0.000 0.939 227 K HN 0.256 nan 8.250 nan 0.000 0.482 228 L N 1.940 123.153 121.223 -0.016 0.000 2.342 228 L HA 0.364 4.705 4.340 0.001 0.000 0.271 228 L C -0.442 176.408 176.870 -0.035 0.000 1.008 228 L CA -1.406 53.420 54.840 -0.022 0.000 0.818 228 L CB 1.965 44.005 42.059 -0.031 0.000 1.296 228 L HN 0.276 nan 8.230 nan 0.000 0.427 229 V N 1.084 120.979 119.914 -0.033 0.000 2.397 229 V HA 0.004 4.125 4.120 0.001 0.000 0.262 229 V C 1.098 177.163 176.094 -0.049 0.000 1.047 229 V CA 0.400 62.679 62.300 -0.035 0.000 1.003 229 V CB 0.772 32.582 31.823 -0.021 0.000 1.037 229 V HN 0.972 nan 8.190 nan 0.000 0.480 230 T N 3.852 118.378 114.554 -0.048 0.000 3.022 230 T HA 0.190 4.541 4.350 0.001 0.000 0.250 230 T C 0.555 175.232 174.700 -0.037 0.000 1.060 230 T CA 0.505 62.577 62.100 -0.047 0.000 1.013 230 T CB 0.086 68.926 68.868 -0.047 0.000 0.982 230 T HN 0.676 nan 8.240 nan 0.000 0.508 231 Q N 0.595 120.375 119.800 -0.033 0.000 2.315 231 Q HA 0.619 4.959 4.340 0.001 0.000 0.273 231 Q C -2.191 173.795 176.000 -0.023 0.000 1.053 231 Q CA -0.848 54.941 55.803 -0.024 0.000 0.817 231 Q CB 2.756 31.482 28.738 -0.020 0.000 1.326 231 Q HN 0.282 nan 8.270 nan 0.000 0.423 232 L N 0.652 121.859 121.223 -0.027 0.000 2.526 232 L HA 0.437 4.778 4.340 0.001 0.000 0.263 232 L C -1.279 175.543 176.870 -0.081 0.000 0.943 232 L CA -0.036 54.790 54.840 -0.023 0.000 0.859 232 L CB 2.589 44.662 42.059 0.024 0.000 1.313 232 L HN 0.517 nan 8.230 nan 0.000 0.406 233 S N 5.111 120.769 115.700 -0.070 0.000 2.499 233 S HA 0.771 5.242 4.470 0.001 0.000 0.275 233 S C -0.523 173.997 174.600 -0.133 0.000 1.257 233 S CA -0.265 57.862 58.200 -0.122 0.000 1.050 233 S CB 0.238 63.403 63.200 -0.058 0.000 0.937 233 S HN 0.492 nan 8.310 nan 0.000 0.490 234 L N 2.047 123.089 121.223 -0.301 0.000 2.409 234 L HA 0.816 5.157 4.340 0.001 0.000 0.262 234 L C -0.251 176.618 176.870 -0.001 0.000 0.992 234 L CA -0.830 53.918 54.840 -0.153 0.000 0.817 234 L CB 2.021 43.969 42.059 -0.185 0.000 1.350 234 L HN 0.677 nan 8.230 nan 0.000 0.411 235 A N 0.922 123.873 122.820 0.218 0.000 2.354 235 A HA 0.753 5.074 4.320 0.001 0.000 0.321 235 A C -2.216 175.575 177.584 0.344 0.000 1.125 235 A CA -0.356 51.838 52.037 0.262 0.000 0.799 235 A CB 1.500 20.610 19.000 0.183 0.000 1.293 235 A HN 0.716 nan 8.150 nan 0.000 0.452 236 W N 1.771 123.078 121.300 0.012 0.000 2.554 236 W HA 0.514 5.175 4.660 0.001 0.000 0.324 236 W C 0.597 177.024 176.519 -0.154 0.000 1.018 236 W CA 0.551 57.756 57.345 -0.233 0.000 1.243 236 W CB 1.354 30.642 29.460 -0.287 0.000 1.345 236 W HN 1.549 nan 8.180 nan 0.000 0.441 237 S N 3.198 118.452 115.700 -0.744 0.000 4.112 237 S HA -0.355 4.116 4.470 0.001 0.000 0.602 237 S C 0.438 174.849 174.600 -0.315 0.000 1.939 237 S CA 2.356 60.163 58.200 -0.654 0.000 4.230 237 S CB -1.211 61.254 63.200 -1.226 0.000 0.245 237 S HN 0.956 nan 8.310 nan 0.000 0.530 238 D N -0.280 119.899 120.400 -0.368 0.000 2.760 238 D HA 0.359 5.000 4.640 0.001 0.000 0.314 238 D C 0.648 176.819 176.300 -0.214 0.000 1.464 238 D CA -0.495 53.371 54.000 -0.223 0.000 0.797 238 D CB 0.285 40.975 40.800 -0.183 0.000 1.149 238 D HN 0.324 nan 8.370 nan 0.000 0.455 239 K N 0.071 120.319 120.400 -0.253 0.000 2.190 239 K HA 0.307 4.627 4.320 0.001 0.000 0.202 239 K C 0.853 177.383 176.600 -0.117 0.000 1.045 239 K CA 0.716 56.913 56.287 -0.149 0.000 0.976 239 K CB 0.557 33.005 32.500 -0.086 0.000 0.849 239 K HN 0.359 nan 8.250 nan 0.000 0.468 240 L N -2.904 118.245 121.223 -0.124 0.000 2.838 240 L HA 0.529 4.870 4.340 0.001 0.000 0.266 240 L C -0.886 175.943 176.870 -0.068 0.000 1.040 240 L CA -0.958 53.747 54.840 -0.225 0.000 0.906 240 L CB 1.780 43.486 42.059 -0.587 0.000 1.501 240 L HN -0.001 nan 8.230 nan 0.000 0.407 241 S N -0.204 115.471 115.700 -0.040 0.000 2.599 241 S HA 0.992 5.463 4.470 0.001 0.000 0.287 241 S C -0.848 173.900 174.600 0.246 0.000 1.105 241 S CA -0.372 57.910 58.200 0.137 0.000 0.899 241 S CB 2.077 65.297 63.200 0.034 0.000 1.100 241 S HN 1.728 nan 8.310 nan 0.000 0.482 242 F N -1.758 118.188 119.950 -0.006 0.000 2.926 242 F HA 0.804 5.332 4.527 0.001 0.000 0.321 242 F C -2.202 173.646 175.800 0.080 0.000 1.168 242 F CA -1.420 56.592 58.000 0.021 0.000 0.890 242 F CB 0.417 39.435 39.000 0.030 0.000 1.357 242 F HN 0.497 nan 8.300 nan 0.000 0.468 243 V N 2.569 122.467 119.914 -0.027 0.000 2.555 243 V HA 0.578 4.699 4.120 0.001 0.000 0.302 243 V C -0.852 175.264 176.094 0.037 0.000 1.038 243 V CA -0.735 61.500 62.300 -0.109 0.000 0.887 243 V CB 1.691 33.516 31.823 0.004 0.000 0.991 243 V HN 0.823 nan 8.190 nan 0.000 0.434 244 L N 4.738 125.937 121.223 -0.041 0.000 2.362 244 L HA 0.640 4.980 4.340 0.001 0.000 0.275 244 L C -0.883 176.010 176.870 0.039 0.000 0.998 244 L CA -0.444 54.462 54.840 0.109 0.000 0.820 244 L CB 1.991 44.147 42.059 0.161 0.000 1.270 244 L HN 0.900 nan 8.230 nan 0.000 0.415 245 D N 1.463 121.891 120.400 0.046 0.000 2.494 245 D HA 0.180 4.821 4.640 0.001 0.000 0.259 245 D C -0.129 176.161 176.300 -0.016 0.000 1.109 245 D CA -0.553 53.451 54.000 0.007 0.000 1.040 245 D CB 0.839 41.646 40.800 0.012 0.000 1.175 245 D HN 0.495 nan 8.370 nan 0.000 0.584 246 D N -1.466 118.914 120.400 -0.033 0.000 2.504 246 D HA 0.071 4.712 4.640 0.001 0.000 0.243 246 D C 0.111 176.383 176.300 -0.047 0.000 1.203 246 D CA -0.127 53.842 54.000 -0.052 0.000 0.847 246 D CB -0.208 40.557 40.800 -0.059 0.000 0.973 246 D HN 0.413 nan 8.370 nan 0.000 0.490 247 K N 0.006 120.386 120.400 -0.034 0.000 2.586 247 K HA 0.225 4.546 4.320 0.001 0.000 0.198 247 K C 0.392 176.969 176.600 -0.038 0.000 1.170 247 K CA -0.337 55.927 56.287 -0.039 0.000 1.069 247 K CB 1.059 33.543 32.500 -0.027 0.000 0.944 247 K HN -0.030 nan 8.250 nan 0.000 0.572 248 L N -0.194 121.016 121.223 -0.021 0.000 4.884 248 L HA -0.252 4.088 4.340 0.001 0.000 0.430 248 L C 0.433 177.331 176.870 0.046 0.000 1.087 248 L CA 0.606 55.448 54.840 0.004 0.000 1.033 248 L CB -1.851 40.185 42.059 -0.038 0.000 2.030 248 L HN 0.250 nan 8.230 nan 0.000 0.762 249 A N 0.575 123.424 122.820 0.048 0.000 2.520 249 A HA 0.461 4.782 4.320 0.001 0.000 0.245 249 A C 0.294 177.970 177.584 0.154 0.000 1.072 249 A CA 0.181 52.267 52.037 0.081 0.000 0.761 249 A CB 0.410 19.449 19.000 0.065 0.000 1.004 249 A HN 0.085 nan 8.150 nan 0.000 0.499 250 V N 4.776 124.803 119.914 0.188 0.000 2.333 250 V HA 0.269 4.390 4.120 0.001 0.000 0.274 250 V C 0.262 176.508 176.094 0.254 0.000 1.028 250 V CA -0.153 62.328 62.300 0.302 0.000 0.851 250 V CB 0.610 32.579 31.823 0.243 0.000 1.000 250 V HN 0.944 nan 8.190 nan 0.000 0.456 251 K N 3.102 123.656 120.400 0.257 0.000 2.281 251 K HA 0.634 4.955 4.320 0.001 0.000 0.242 251 K C 0.356 177.069 176.600 0.189 0.000 0.971 251 K CA -1.106 55.291 56.287 0.183 0.000 0.834 251 K CB 1.486 34.060 32.500 0.123 0.000 1.181 251 K HN 0.457 nan 8.250 nan 0.000 0.435 252 R N 1.542 122.130 120.500 0.146 0.000 3.264 252 R HA -0.198 4.143 4.340 0.001 0.000 0.251 252 R C -1.074 175.308 176.300 0.137 0.000 0.971 252 R CA -0.136 56.038 56.100 0.124 0.000 0.658 252 R CB -1.034 29.318 30.300 0.087 0.000 1.095 252 R HN 0.437 nan 8.270 nan 0.000 0.443 253 L N 1.979 123.293 121.223 0.153 0.000 2.433 253 L HA 0.232 4.573 4.340 0.001 0.000 0.275 253 L C 0.163 177.010 176.870 -0.038 0.000 1.128 253 L CA 0.835 55.712 54.840 0.062 0.000 0.875 253 L CB 0.667 42.804 42.059 0.131 0.000 1.171 253 L HN 0.234 nan 8.230 nan 0.000 0.463 254 R N 4.192 124.585 120.500 -0.179 0.000 2.473 254 R HA 0.442 4.783 4.340 0.001 0.000 0.303 254 R C -1.277 174.822 176.300 -0.335 0.000 1.002 254 R CA -0.315 55.693 56.100 -0.153 0.000 0.884 254 R CB 0.746 31.016 30.300 -0.051 0.000 1.173 254 R HN 0.376 nan 8.270 nan 0.000 0.464 255 F N 2.233 122.011 119.950 -0.286 0.000 2.412 255 F HA 0.216 4.744 4.527 0.002 0.000 0.348 255 F C 1.049 176.602 175.800 -0.413 0.000 1.102 255 F CA -0.339 57.389 58.000 -0.452 0.000 1.196 255 F CB 0.692 39.156 39.000 -0.893 0.000 1.144 255 F HN 0.212 nan 8.300 nan 0.000 0.541 256 E N 2.367 122.469 120.200 -0.164 0.000 2.437 256 E HA -0.080 4.270 4.350 0.001 0.000 0.263 256 E C 0.669 177.168 176.600 -0.169 0.000 1.030 256 E CA 0.134 56.444 56.400 -0.148 0.000 0.934 256 E CB 0.435 30.060 29.700 -0.125 0.000 0.943 256 E HN 0.574 nan 8.360 nan 0.000 0.444 257 D N 1.825 122.151 120.400 -0.124 0.000 2.133 257 D HA -0.220 4.421 4.640 0.001 0.000 0.192 257 D C 1.909 178.158 176.300 -0.085 0.000 1.001 257 D CA 0.959 54.899 54.000 -0.100 0.000 0.844 257 D CB -0.109 40.652 40.800 -0.065 0.000 0.944 257 D HN 0.412 nan 8.370 nan 0.000 0.447 258 L N 0.156 121.332 121.223 -0.078 0.000 2.043 258 L HA -0.222 4.119 4.340 0.001 0.000 0.212 258 L C 2.258 179.097 176.870 -0.052 0.000 1.075 258 L CA 1.217 56.022 54.840 -0.058 0.000 0.752 258 L CB -0.137 41.884 42.059 -0.063 0.000 0.891 258 L HN 0.030 nan 8.230 nan 0.000 0.432 259 L N -0.566 120.603 121.223 -0.090 0.000 2.217 259 L HA -0.160 4.181 4.340 0.001 0.000 0.211 259 L C 2.437 179.290 176.870 -0.028 0.000 1.107 259 L CA 1.553 56.347 54.840 -0.076 0.000 0.783 259 L CB -0.386 41.585 42.059 -0.147 0.000 0.919 259 L HN 0.361 nan 8.230 nan 0.000 0.442 260 Q N -0.882 118.848 119.800 -0.116 0.000 2.096 260 Q HA -0.140 4.201 4.340 0.001 0.000 0.197 260 Q C 1.916 177.999 176.000 0.139 0.000 0.964 260 Q CA 1.441 57.279 55.803 0.057 0.000 0.838 260 Q CB -0.013 28.657 28.738 -0.114 0.000 0.906 260 Q HN 0.593 nan 8.270 nan 0.000 0.444 261 E N 0.830 121.059 120.200 0.047 0.000 2.204 261 E HA -0.212 4.139 4.350 0.001 0.000 0.194 261 E C 1.914 178.543 176.600 0.049 0.000 0.989 261 E CA 0.636 57.061 56.400 0.041 0.000 0.824 261 E CB 0.044 29.750 29.700 0.010 0.000 0.756 261 E HN 0.317 nan 8.360 nan 0.000 0.477 262 Q N 0.890 120.723 119.800 0.054 0.000 1.917 262 Q HA -0.167 4.174 4.340 0.001 0.000 0.205 262 Q C 2.291 178.331 176.000 0.067 0.000 0.988 262 Q CA 1.492 57.326 55.803 0.051 0.000 0.851 262 Q CB -0.246 28.520 28.738 0.048 0.000 0.916 262 Q HN 0.249 nan 8.270 nan 0.000 0.424 263 A N 1.255 124.145 122.820 0.115 0.000 2.042 263 A HA -0.280 4.041 4.320 0.001 0.000 0.222 263 A C 1.748 179.348 177.584 0.027 0.000 1.167 263 A CA 2.023 54.102 52.037 0.071 0.000 0.649 263 A CB -0.962 18.086 19.000 0.080 0.000 0.809 263 A HN 0.748 nan 8.150 nan 0.000 0.457 264 E N 0.013 120.249 120.200 0.059 0.000 2.472 264 E HA -0.116 4.235 4.350 0.001 0.000 0.200 264 E C 0.575 177.179 176.600 0.007 0.000 1.046 264 E CA 0.842 57.256 56.400 0.024 0.000 0.871 264 E CB -0.132 29.596 29.700 0.047 0.000 0.806 264 E HN 0.518 nan 8.360 nan 0.000 0.533 265 K N 0.954 121.362 120.400 0.013 0.000 3.129 265 K HA 0.132 4.453 4.320 0.001 0.000 0.224 265 K C -1.093 175.510 176.600 0.004 0.000 1.249 265 K CA 0.027 56.319 56.287 0.007 0.000 1.177 265 K CB 0.557 33.063 32.500 0.011 0.000 1.393 265 K HN 0.097 nan 8.250 nan 0.000 0.459 266 D N -1.126 119.272 120.400 -0.003 0.000 2.682 266 D HA 0.062 4.703 4.640 0.001 0.000 0.291 266 D C 0.852 177.148 176.300 -0.007 0.000 1.585 266 D CA -0.068 53.931 54.000 -0.001 0.000 0.845 266 D CB 1.281 42.081 40.800 -0.000 0.000 1.323 266 D HN 0.382 nan 8.370 nan 0.000 0.438 267 G N -0.779 108.012 108.800 -0.015 0.000 2.578 267 G HA2 0.440 4.401 3.960 0.001 0.000 0.184 267 G HA3 0.440 4.401 3.960 0.001 0.000 0.184 267 G C 1.169 176.058 174.900 -0.018 0.000 1.289 267 G CA 0.432 45.519 45.100 -0.022 0.000 0.847 267 G HN 0.417 nan 8.290 nan 0.000 0.880 268 G N 1.218 110.010 108.800 -0.014 0.000 3.099 268 G HA2 -0.403 3.558 3.960 0.001 0.000 0.331 268 G HA3 -0.403 3.558 3.960 0.001 0.000 0.331 268 G C 0.942 175.834 174.900 -0.013 0.000 1.216 268 G CA 1.266 46.360 45.100 -0.010 0.000 0.977 268 G HN 0.489 nan 8.290 nan 0.000 0.600 269 E N 1.213 121.405 120.200 -0.013 0.000 2.434 269 E HA 0.161 4.511 4.350 0.001 0.000 0.207 269 E C 0.310 176.899 176.600 -0.019 0.000 0.929 269 E CA 0.287 56.679 56.400 -0.014 0.000 1.001 269 E CB 0.287 29.981 29.700 -0.009 0.000 1.016 269 E HN 0.705 nan 8.360 nan 0.000 0.502 270 D N -0.147 120.241 120.400 -0.020 0.000 2.312 270 D HA 0.171 4.812 4.640 0.001 0.000 0.248 270 D C 0.808 177.081 176.300 -0.044 0.000 1.086 270 D CA -0.034 53.951 54.000 -0.024 0.000 0.948 270 D CB 1.526 42.318 40.800 -0.014 0.000 1.162 270 D HN -0.058 nan 8.370 nan 0.000 0.446 271 A N 1.416 124.205 122.820 -0.052 0.000 1.825 271 A HA -0.139 4.182 4.320 0.001 0.000 0.214 271 A C 2.077 179.580 177.584 -0.135 0.000 1.206 271 A CA 0.882 52.864 52.037 -0.092 0.000 0.609 271 A CB -0.931 18.022 19.000 -0.079 0.000 0.851 271 A HN 0.623 nan 8.150 nan 0.000 0.445 272 L N 0.168 121.337 121.223 -0.089 0.000 2.270 272 L HA -0.178 4.162 4.340 0.001 0.000 0.217 272 L C 2.115 178.958 176.870 -0.045 0.000 1.107 272 L CA 2.272 57.074 54.840 -0.065 0.000 0.772 272 L CB -1.490 40.597 42.059 0.047 0.000 0.902 272 L HN 0.453 nan 8.230 nan 0.000 0.439 273 G N -1.373 107.400 108.800 -0.046 0.000 2.396 273 G HA2 -0.211 3.750 3.960 0.001 0.000 0.214 273 G HA3 -0.211 3.750 3.960 0.001 0.000 0.214 273 G C 1.358 176.215 174.900 -0.071 0.000 1.166 273 G CA -0.014 45.070 45.100 -0.028 0.000 0.793 273 G HN 0.350 nan 8.290 nan 0.000 0.533 274 Q N -0.174 119.557 119.800 -0.115 0.000 2.119 274 Q HA 0.008 4.349 4.340 0.001 0.000 0.201 274 Q C 2.690 178.541 176.000 -0.250 0.000 0.972 274 Q CA 0.720 56.435 55.803 -0.147 0.000 0.847 274 Q CB -0.329 28.331 28.738 -0.131 0.000 0.903 274 Q HN 0.369 nan 8.270 nan 0.000 0.433 275 L N 0.798 121.791 121.223 -0.385 0.000 2.027 275 L HA -0.165 4.176 4.340 0.001 0.000 0.206 275 L C 2.123 178.788 176.870 -0.342 0.000 1.074 275 L CA 1.962 56.394 54.840 -0.679 0.000 0.745 275 L CB -1.040 40.079 42.059 -1.567 0.000 0.898 275 L HN 0.226 nan 8.230 nan 0.000 0.433 276 D N -0.547 119.792 120.400 -0.102 0.000 2.133 276 D HA -0.230 4.411 4.640 0.001 0.000 0.195 276 D C 2.147 178.502 176.300 0.092 0.000 0.997 276 D CA 1.414 55.519 54.000 0.174 0.000 0.840 276 D CB 0.080 41.035 40.800 0.257 0.000 0.947 276 D HN 0.277 nan 8.370 nan 0.000 0.452 277 A N -0.398 122.404 122.820 -0.031 0.000 1.933 277 A HA -0.112 4.209 4.320 0.001 0.000 0.218 277 A C 2.376 179.825 177.584 -0.224 0.000 1.175 277 A CA 1.815 53.808 52.037 -0.073 0.000 0.628 277 A CB -0.592 18.366 19.000 -0.070 0.000 0.814 277 A HN 0.263 nan 8.150 nan 0.000 0.444 278 S N -1.206 114.256 115.700 -0.396 0.000 2.355 278 S HA -0.094 4.377 4.470 0.001 0.000 0.222 278 S C 1.615 175.684 174.600 -0.886 0.000 1.031 278 S CA 1.302 58.946 58.200 -0.926 0.000 0.993 278 S CB -0.482 62.057 63.200 -1.102 0.000 0.859 278 S HN 0.670 nan 8.310 nan 0.000 0.453 279 F N 2.584 122.203 119.950 -0.552 0.000 2.408 279 F HA -0.099 4.429 4.527 0.002 0.000 0.300 279 F C 2.037 177.631 175.800 -0.343 0.000 1.090 279 F CA 1.119 58.868 58.000 -0.418 0.000 1.427 279 F CB -0.453 38.435 39.000 -0.186 0.000 1.070 279 F HN 0.105 nan 8.300 nan 0.000 0.549 280 T N 0.751 115.212 114.554 -0.156 0.000 2.755 280 T HA -0.096 4.255 4.350 0.001 0.000 0.251 280 T C 1.782 176.355 174.700 -0.212 0.000 1.044 280 T CA 1.103 63.149 62.100 -0.090 0.000 1.154 280 T CB -0.661 68.251 68.868 0.073 0.000 0.866 280 T HN 0.228 nan 8.240 nan 0.000 0.416 281 L N 1.271 122.364 121.223 -0.217 0.000 2.127 281 L HA 0.033 4.373 4.340 0.001 0.000 0.211 281 L C 2.266 179.028 176.870 -0.181 0.000 1.089 281 L CA 1.618 56.384 54.840 -0.122 0.000 0.757 281 L CB -0.681 41.376 42.059 -0.003 0.000 0.899 281 L HN 0.280 nan 8.230 nan 0.000 0.434 282 M N -1.883 117.441 119.600 -0.460 0.000 2.064 282 M HA -0.212 4.269 4.480 0.001 0.000 0.260 282 M C 2.104 177.993 176.300 -0.684 0.000 1.073 282 M CA 1.749 56.682 55.300 -0.612 0.000 1.124 282 M CB -0.070 31.989 32.600 -0.902 0.000 1.326 282 M HN 0.229 nan 8.290 nan 0.000 0.410 283 M N 0.523 119.679 119.600 -0.739 0.000 2.144 283 M HA -0.192 4.289 4.480 0.001 0.000 0.260 283 M C 2.073 178.115 176.300 -0.430 0.000 1.067 283 M CA 1.508 56.322 55.300 -0.810 0.000 1.095 283 M CB -1.574 29.995 32.600 -1.719 0.000 1.365 283 M HN 0.328 nan 8.290 nan 0.000 0.406 284 L N -0.388 120.713 121.223 -0.203 0.000 2.109 284 L HA -0.086 4.255 4.340 0.001 0.000 0.207 284 L C 2.429 179.332 176.870 0.056 0.000 1.086 284 L CA 1.640 56.504 54.840 0.040 0.000 0.760 284 L CB -1.287 40.817 42.059 0.075 0.000 0.910 284 L HN 0.278 nan 8.230 nan 0.000 0.437 285 T N -1.170 113.381 114.554 -0.005 0.000 2.904 285 T HA -0.110 4.241 4.350 0.001 0.000 0.267 285 T C 1.666 176.464 174.700 0.164 0.000 1.059 285 T CA 0.851 63.012 62.100 0.101 0.000 1.137 285 T CB -0.257 68.652 68.868 0.068 0.000 0.879 285 T HN 0.028 nan 8.240 nan 0.000 0.467 286 F N 1.848 121.830 119.950 0.053 0.000 2.234 286 F HA 0.167 4.695 4.527 0.001 0.000 0.299 286 F C 2.588 178.355 175.800 -0.055 0.000 1.087 286 F CA -0.130 57.886 58.000 0.028 0.000 1.340 286 F CB -1.173 37.775 39.000 -0.087 0.000 1.031 286 F HN 0.138 nan 8.300 nan 0.000 0.500 287 A N -0.542 122.375 122.820 0.162 0.000 1.940 287 A HA -0.248 4.073 4.320 0.001 0.000 0.219 287 A C 2.241 179.852 177.584 0.045 0.000 1.176 287 A CA 2.119 54.222 52.037 0.110 0.000 0.631 287 A CB -0.675 18.426 19.000 0.170 0.000 0.814 287 A HN 0.471 nan 8.150 nan 0.000 0.446 288 E N -2.113 118.132 120.200 0.076 0.000 2.251 288 E HA -0.012 4.339 4.350 0.001 0.000 0.194 288 E C 1.677 178.173 176.600 -0.174 0.000 0.964 288 E CA 0.380 56.820 56.400 0.065 0.000 0.868 288 E CB -0.148 29.706 29.700 0.257 0.000 0.828 288 E HN 0.544 nan 8.360 nan 0.000 0.481 289 F N 1.277 120.891 119.950 -0.560 0.000 2.128 289 F HA -0.098 4.429 4.527 0.001 0.000 0.295 289 F C 1.749 177.076 175.800 -0.788 0.000 1.100 289 F CA 0.795 58.020 58.000 -1.292 0.000 1.260 289 F CB -0.372 37.958 39.000 -1.116 0.000 1.009 289 F HN 0.043 nan 8.300 nan 0.000 0.476 290 L N 1.713 122.367 121.223 -0.948 0.000 2.042 290 L HA -0.120 4.221 4.340 0.001 0.000 0.210 290 L C -0.395 175.507 176.870 -1.612 0.000 1.076 290 L CA 2.227 56.329 54.840 -1.231 0.000 0.749 290 L CB -2.234 39.410 42.059 -0.691 0.000 0.893 290 L HN 0.140 nan 8.230 nan 0.000 0.432 291 P HA -0.117 nan 4.420 nan 0.000 0.217 291 P C 1.397 178.427 177.300 -0.451 0.000 1.151 291 P CA 1.783 64.477 63.100 -0.677 0.000 0.828 291 P CB 0.022 31.589 31.700 -0.221 0.000 0.788 292 A N -0.170 122.419 122.820 -0.386 0.000 1.972 292 A HA -0.151 4.170 4.320 0.001 0.000 0.219 292 A C 2.243 179.820 177.584 -0.011 0.000 1.169 292 A CA 1.330 53.297 52.037 -0.117 0.000 0.635 292 A CB -1.605 17.345 19.000 -0.084 0.000 0.810 292 A HN 0.179 nan 8.150 nan 0.000 0.446 293 L N -1.057 119.959 121.223 -0.346 0.000 2.044 293 L HA -0.006 4.335 4.340 0.001 0.000 0.205 293 L C 2.278 179.099 176.870 -0.082 0.000 1.075 293 L CA 1.713 56.413 54.840 -0.234 0.000 0.747 293 L CB -0.600 41.092 42.059 -0.611 0.000 0.903 293 L HN 0.479 nan 8.230 nan 0.000 0.435 294 F N -0.083 119.776 119.950 -0.152 0.000 2.126 294 F HA -0.274 4.254 4.527 0.001 0.000 0.299 294 F C 2.591 178.357 175.800 -0.056 0.000 1.096 294 F CA 1.261 59.196 58.000 -0.108 0.000 1.255 294 F CB -0.354 38.587 39.000 -0.098 0.000 0.997 294 F HN 0.281 nan 8.300 nan 0.000 0.479 295 E N 0.965 121.258 120.200 0.156 0.000 2.152 295 E HA -0.157 4.194 4.350 0.001 0.000 0.192 295 E C 2.241 178.915 176.600 0.124 0.000 0.983 295 E CA 0.832 57.307 56.400 0.125 0.000 0.818 295 E CB -0.069 29.703 29.700 0.119 0.000 0.758 295 E HN 0.321 nan 8.360 nan 0.000 0.467 296 A N 1.152 124.044 122.820 0.120 0.000 1.898 296 A HA -0.077 4.244 4.320 0.001 0.000 0.216 296 A C 1.995 179.651 177.584 0.121 0.000 1.181 296 A CA 0.819 52.941 52.037 0.142 0.000 0.620 296 A CB -0.457 18.434 19.000 -0.182 0.000 0.819 296 A HN 0.317 nan 8.150 nan 0.000 0.442 297 L N -0.221 120.997 121.223 -0.007 0.000 2.660 297 L HA 0.200 4.541 4.340 0.001 0.000 0.238 297 L C 1.156 177.989 176.870 -0.062 0.000 1.161 297 L CA 0.304 55.081 54.840 -0.106 0.000 0.937 297 L CB -0.871 41.126 42.059 -0.103 0.000 1.122 297 L HN 0.571 nan 8.230 nan 0.000 0.435 298 G N 0.479 109.282 108.800 0.006 0.000 2.417 298 G HA2 -0.028 3.933 3.960 0.001 0.000 0.291 298 G HA3 -0.028 3.933 3.960 0.001 0.000 0.291 298 G C 0.557 175.459 174.900 0.004 0.000 1.094 298 G CA -0.030 45.076 45.100 0.009 0.000 1.146 298 G HN 0.771 nan 8.290 nan 0.000 0.519 299 G N -0.788 108.032 108.800 0.033 0.000 3.051 299 G HA2 0.141 4.102 3.960 0.001 0.000 0.686 299 G HA3 0.141 4.102 3.960 0.001 0.000 0.686 299 G C 0.059 174.943 174.900 -0.027 0.000 1.461 299 G CA 0.728 45.842 45.100 0.023 0.000 1.129 299 G HN 1.604 nan 8.290 nan 0.000 0.601 300 E N 0.319 120.482 120.200 -0.061 0.000 2.369 300 E HA 0.508 4.859 4.350 0.001 0.000 0.255 300 E C 0.374 176.891 176.600 -0.139 0.000 1.172 300 E CA -0.231 56.055 56.400 -0.190 0.000 0.932 300 E CB 0.685 30.168 29.700 -0.362 0.000 1.040 300 E HN 0.598 nan 8.360 nan 0.000 0.454 301 E N 1.856 121.960 120.200 -0.161 0.000 2.359 301 E HA 0.394 4.745 4.350 0.001 0.000 0.266 301 E C -1.214 175.321 176.600 -0.108 0.000 0.920 301 E CA -0.770 55.563 56.400 -0.112 0.000 0.788 301 E CB 1.281 30.924 29.700 -0.097 0.000 1.279 301 E HN 0.474 nan 8.360 nan 0.000 0.438 302 I N 4.019 124.543 120.570 -0.075 0.000 2.448 302 I HA 0.316 4.487 4.170 0.001 0.000 0.281 302 I C -2.108 173.981 176.117 -0.048 0.000 1.027 302 I CA -2.004 59.259 61.300 -0.061 0.000 1.111 302 I CB 1.561 39.534 38.000 -0.046 0.000 1.236 302 I HN 0.342 nan 8.210 nan 0.000 0.452 303 P HA 0.172 nan 4.420 nan 0.000 0.274 303 P C -0.593 176.692 177.300 -0.026 0.000 1.260 303 P CA 0.009 63.086 63.100 -0.037 0.000 0.793 303 P CB 1.521 33.198 31.700 -0.038 0.000 1.048 304 Q N -0.460 119.327 119.800 -0.021 0.000 2.580 304 Q HA 0.208 4.549 4.340 0.001 0.000 0.239 304 Q C 1.693 177.686 176.000 -0.011 0.000 0.873 304 Q CA 0.917 56.711 55.803 -0.015 0.000 0.951 304 Q CB -0.843 27.886 28.738 -0.015 0.000 1.172 304 Q HN 0.640 nan 8.270 nan 0.000 0.616 305 G N 1.740 110.532 108.800 -0.012 0.000 3.084 305 G HA2 0.272 4.233 3.960 0.001 0.000 0.254 305 G HA3 0.272 4.233 3.960 0.001 0.000 0.254 305 G C 0.253 175.150 174.900 -0.006 0.000 0.834 305 G CA -0.208 44.886 45.100 -0.009 0.000 1.999 305 G HN 0.008 nan 8.290 nan 0.000 0.611 306 V N 0.000 119.912 119.914 -0.004 0.000 2.409 306 V HA 0.000 4.121 4.120 0.001 0.000 0.244 306 V CA 0.000 62.300 62.300 0.000 0.000 1.235 306 V CB 0.000 31.824 31.823 0.002 0.000 1.184 306 V HN 0.000 nan 8.190 nan 0.000 0.556