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 2g5w_1_A DATA FIRST_RESID 8 DATA SEQUENCE SNETLFSSYK MGRFDLSHRV VLAPMTRCRA LNGVPNAALA EYYAQRTTPG DATA SEQUENCE GFLISEGTMV SPGSAGFPHV PGIYSDEQVE AWKQVVEAVH AKGGFIFCQL DATA SEQUENCE WHVGRASHAV YQPNGGSPIS STNKPISENR WRVLLPDGSH VKYPKPRALE DATA SEQUENCE ASEIPRVVED YCLSALNAIR AGFDGIEIHG AHGYLIDQFL KDGINDRTDQ DATA SEQUENCE YGGSIANRCR FLKQVVEGVV SAIGASKVGV RVSPAIDHLD ATDSDPLSLG DATA SEQUENCE LAVVGMLNKL QGVNGSKLAY LHVTQPRXXX XXXXXXXXXX XXXXEAKLMK DATA SEQUENCE SLRMAYNGTF MSSGGFNKEL GMQAVQQGDA DLVSYGRLFI ANPDLVSRFK DATA SEQUENCE IDGELNKYNR KTFYTQDPVV GYTDYPFLAP 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 8 S HA 0.000 nan 4.470 nan 0.000 0.327 8 S C 0.000 174.609 174.600 0.015 0.000 1.055 8 S CA 0.000 58.206 58.200 0.010 0.000 1.107 8 S CB 0.000 63.205 63.200 0.008 0.000 0.593 9 N N 2.101 120.813 118.700 0.021 0.000 2.205 9 N HA 0.253 4.993 4.740 0.001 0.000 0.201 9 N C -0.338 175.195 175.510 0.037 0.000 1.128 9 N CA 0.043 53.111 53.050 0.029 0.000 0.867 9 N CB 0.312 38.816 38.487 0.029 0.000 0.996 9 N HN 0.625 nan 8.380 nan 0.000 0.503 10 E N 0.347 120.566 120.200 0.031 0.000 2.331 10 E HA 0.260 4.610 4.350 0.001 0.000 0.272 10 E C 0.141 176.749 176.600 0.014 0.000 1.036 10 E CA 0.052 56.472 56.400 0.034 0.000 0.864 10 E CB 1.096 30.815 29.700 0.031 0.000 1.035 10 E HN 0.179 nan 8.360 nan 0.000 0.408 11 T N -1.493 113.070 114.554 0.014 0.000 2.831 11 T HA 0.301 4.652 4.350 0.001 0.000 0.287 11 T C 1.011 175.608 174.700 -0.172 0.000 1.070 11 T CA -0.889 61.181 62.100 -0.051 0.000 1.010 11 T CB 0.436 69.333 68.868 0.049 0.000 1.264 11 T HN 0.370 nan 8.240 nan 0.000 0.532 12 L N -0.418 120.540 121.223 -0.441 0.000 2.447 12 L HA 0.025 4.366 4.340 0.001 0.000 0.225 12 L C 0.984 177.506 176.870 -0.579 0.000 1.148 12 L CA 1.363 55.835 54.840 -0.614 0.000 0.808 12 L CB -0.557 40.949 42.059 -0.921 0.000 0.928 12 L HN 0.589 nan 8.230 nan 0.000 0.448 13 F N -2.129 117.867 119.950 0.077 0.000 2.682 13 F HA 0.185 4.713 4.527 0.001 0.000 0.308 13 F C 1.295 177.165 175.800 0.116 0.000 1.093 13 F CA -0.494 57.571 58.000 0.108 0.000 1.244 13 F CB -0.287 38.751 39.000 0.062 0.000 1.052 13 F HN -0.218 nan 8.300 nan 0.000 0.573 14 S N 0.875 116.684 115.700 0.181 0.000 2.565 14 S HA 0.277 4.747 4.470 0.001 0.000 0.276 14 S C 0.597 175.293 174.600 0.161 0.000 1.326 14 S CA -0.667 57.624 58.200 0.152 0.000 1.045 14 S CB 0.676 63.940 63.200 0.105 0.000 0.918 14 S HN 0.355 nan 8.310 nan 0.000 0.505 15 S N 2.196 117.987 115.700 0.151 0.000 2.589 15 S HA 0.433 4.903 4.470 0.001 0.000 0.265 15 S C -0.768 173.941 174.600 0.181 0.000 1.342 15 S CA -0.357 57.929 58.200 0.144 0.000 1.005 15 S CB 0.176 63.440 63.200 0.106 0.000 0.909 15 S HN 0.703 nan 8.310 nan 0.000 0.555 16 Y N -0.284 120.009 120.300 -0.012 0.000 2.519 16 Y HA 0.417 4.967 4.550 0.000 0.000 0.336 16 Y C -1.163 174.701 175.900 -0.060 0.000 1.089 16 Y CA -0.870 57.204 58.100 -0.043 0.000 1.025 16 Y CB 1.640 40.057 38.460 -0.072 0.000 1.318 16 Y HN 0.731 nan 8.280 nan 0.000 0.452 17 K N 6.526 126.538 120.400 -0.646 0.000 2.281 17 K HA 0.338 4.658 4.320 0.001 0.000 0.272 17 K C -0.710 175.598 176.600 -0.486 0.000 1.048 17 K CA -0.537 55.487 56.287 -0.440 0.000 0.898 17 K CB 1.317 33.611 32.500 -0.343 0.000 1.128 17 K HN 0.726 nan 8.250 nan 0.000 0.460 18 M N 3.622 123.114 119.600 -0.179 0.000 3.266 18 M HA 0.071 4.551 4.480 0.001 0.000 0.260 18 M C 0.634 176.874 176.300 -0.100 0.000 1.319 18 M CA 0.335 55.608 55.300 -0.044 0.000 1.412 18 M CB -0.244 32.358 32.600 0.003 0.000 1.113 18 M HN 0.998 nan 8.290 nan 0.000 0.588 19 G N 2.865 111.574 108.800 -0.152 0.000 3.099 19 G HA2 -0.418 3.542 3.960 0.001 0.000 0.331 19 G HA3 -0.418 3.542 3.960 0.001 0.000 0.331 19 G C 0.851 175.574 174.900 -0.294 0.000 1.216 19 G CA 0.839 45.827 45.100 -0.186 0.000 0.977 19 G HN 0.673 nan 8.290 nan 0.000 0.600 20 R N 0.059 120.239 120.500 -0.533 0.000 2.153 20 R HA 0.231 4.571 4.340 0.001 0.000 0.218 20 R C 0.421 176.325 176.300 -0.659 0.000 1.072 20 R CA 0.965 56.634 56.100 -0.719 0.000 0.990 20 R CB -0.027 29.611 30.300 -1.103 0.000 0.889 20 R HN 0.334 nan 8.270 nan 0.000 0.452 21 F N 1.525 121.365 119.950 -0.184 0.000 2.411 21 F HA 0.258 4.785 4.527 0.000 0.000 0.352 21 F C -0.167 175.418 175.800 -0.358 0.000 1.123 21 F CA -1.616 56.126 58.000 -0.431 0.000 1.044 21 F CB 0.925 39.380 39.000 -0.908 0.000 1.135 21 F HN -0.271 nan 8.300 nan 0.000 0.461 22 D N 4.986 125.369 120.400 -0.029 0.000 2.380 22 D HA 0.270 4.911 4.640 0.001 0.000 0.230 22 D C -0.011 176.350 176.300 0.101 0.000 1.154 22 D CA 0.035 54.051 54.000 0.026 0.000 0.859 22 D CB 1.080 41.926 40.800 0.078 0.000 1.045 22 D HN 0.382 nan 8.370 nan 0.000 0.495 23 L N 1.252 122.504 121.223 0.048 0.000 2.350 23 L HA 0.175 4.515 4.340 0.001 0.000 0.275 23 L C 1.578 178.500 176.870 0.086 0.000 1.099 23 L CA -0.442 54.446 54.840 0.079 0.000 0.808 23 L CB 1.285 43.350 42.059 0.009 0.000 1.149 23 L HN 0.238 nan 8.230 nan 0.000 0.442 24 S N -0.183 115.549 115.700 0.053 0.000 2.461 24 S HA -0.009 4.461 4.470 0.001 0.000 0.228 24 S C -0.029 174.681 174.600 0.184 0.000 1.005 24 S CA 0.551 58.821 58.200 0.117 0.000 0.942 24 S CB -0.145 63.166 63.200 0.185 0.000 0.776 24 S HN 0.859 nan 8.310 nan 0.000 0.514 25 H N -2.500 116.671 119.070 0.168 0.000 2.918 25 H HA 0.596 5.152 4.556 0.001 0.000 0.303 25 H C -0.102 175.265 175.328 0.065 0.000 1.380 25 H CA -1.032 55.098 56.048 0.136 0.000 1.134 25 H CB 0.480 30.360 29.762 0.197 0.000 1.842 25 H HN -0.331 nan 8.280 nan 0.000 0.533 26 R N 0.198 120.804 120.500 0.176 0.000 2.362 26 R HA 0.253 4.593 4.340 0.001 0.000 0.227 26 R C -0.250 176.110 176.300 0.099 0.000 0.905 26 R CA -0.058 56.045 56.100 0.005 0.000 1.067 26 R CB 0.251 30.476 30.300 -0.125 0.000 1.078 26 R HN 0.374 nan 8.270 nan 0.000 0.516 27 V N 2.537 122.662 119.914 0.351 0.000 2.427 27 V HA 0.145 4.266 4.120 0.001 0.000 0.268 27 V C 0.307 176.654 176.094 0.423 0.000 1.046 27 V CA -0.307 62.207 62.300 0.356 0.000 0.970 27 V CB 1.389 33.338 31.823 0.210 0.000 1.001 27 V HN -0.196 nan 8.190 nan 0.000 0.476 28 V N 6.159 126.289 119.914 0.361 0.000 2.581 28 V HA 0.417 4.538 4.120 0.001 0.000 0.303 28 V C -0.139 176.132 176.094 0.295 0.000 1.041 28 V CA -0.858 61.593 62.300 0.252 0.000 0.907 28 V CB 1.914 33.761 31.823 0.040 0.000 0.994 28 V HN 0.713 nan 8.190 nan 0.000 0.442 29 L N 4.619 125.851 121.223 0.016 0.000 2.315 29 L HA 0.665 5.006 4.340 0.001 0.000 0.283 29 L C 0.636 177.466 176.870 -0.066 0.000 1.089 29 L CA 0.424 55.105 54.840 -0.265 0.000 0.833 29 L CB 0.327 41.971 42.059 -0.691 0.000 1.170 29 L HN 0.825 nan 8.230 nan 0.000 0.442 30 A N 7.712 130.553 122.820 0.036 0.000 2.386 30 A HA 0.539 4.860 4.320 0.001 0.000 0.248 30 A C -2.310 175.272 177.584 -0.003 0.000 1.082 30 A CA -1.139 50.934 52.037 0.061 0.000 0.789 30 A CB -0.617 18.427 19.000 0.073 0.000 1.025 30 A HN 0.686 nan 8.150 nan 0.000 0.490 31 P HA 0.224 nan 4.420 nan 0.000 0.267 31 P C -0.869 176.370 177.300 -0.101 0.000 1.205 31 P CA 0.567 63.629 63.100 -0.063 0.000 0.765 31 P CB 0.492 32.093 31.700 -0.165 0.000 0.828 32 M N 1.785 121.353 119.600 -0.053 0.000 2.215 32 M HA 0.129 4.609 4.480 0.001 0.000 0.251 32 M C -0.388 175.879 176.300 -0.056 0.000 0.987 32 M CA -0.226 55.018 55.300 -0.095 0.000 1.025 32 M CB 1.980 34.514 32.600 -0.111 0.000 2.064 32 M HN 0.117 nan 8.290 nan 0.000 0.473 33 T N 3.676 118.165 114.554 -0.108 0.000 2.831 33 T HA 0.129 4.480 4.350 0.001 0.000 0.291 33 T C 1.021 175.731 174.700 0.017 0.000 0.981 33 T CA 0.235 62.316 62.100 -0.031 0.000 1.174 33 T CB 0.406 69.170 68.868 -0.174 0.000 0.929 33 T HN 0.526 nan 8.240 nan 0.000 0.532 34 R N 0.992 121.503 120.500 0.019 0.000 2.513 34 R HA 0.214 4.554 4.340 0.001 0.000 0.245 34 R C 0.802 177.079 176.300 -0.038 0.000 0.908 34 R CA -0.101 55.949 56.100 -0.082 0.000 1.023 34 R CB -0.743 29.432 30.300 -0.208 0.000 1.338 34 R HN 0.818 nan 8.270 nan 0.000 0.575 35 C N 1.575 120.908 119.300 0.054 0.000 4.497 35 C HA -0.113 4.347 4.460 0.001 0.000 0.292 35 C C 1.349 176.327 174.990 -0.020 0.000 1.366 35 C CA 0.649 59.739 59.018 0.120 0.000 1.987 35 C CB -1.836 26.073 27.740 0.280 0.000 1.241 35 C HN 0.389 nan 8.230 nan 0.000 0.788 36 R N 0.623 121.003 120.500 -0.201 0.000 2.290 36 R HA 0.381 4.722 4.340 0.001 0.000 0.197 36 R C 1.350 177.552 176.300 -0.164 0.000 0.913 36 R CA 0.944 56.855 56.100 -0.316 0.000 1.040 36 R CB 0.076 29.937 30.300 -0.732 0.000 0.992 36 R HN 0.640 nan 8.270 nan 0.000 0.500 37 A N 1.873 124.652 122.820 -0.069 0.000 3.026 37 A HA 0.167 4.488 4.320 0.001 0.000 0.272 37 A C -0.165 177.427 177.584 0.012 0.000 1.782 37 A CA -0.241 51.762 52.037 -0.057 0.000 1.451 37 A CB -0.991 17.969 19.000 -0.066 0.000 1.081 37 A HN 0.202 nan 8.150 nan 0.000 0.611 38 L N 1.294 122.495 121.223 -0.036 0.000 2.640 38 L HA -0.118 4.222 4.340 0.001 0.000 0.280 38 L C 0.705 177.650 176.870 0.125 0.000 1.229 38 L CA 0.690 55.530 54.840 -0.001 0.000 0.919 38 L CB -0.623 41.356 42.059 -0.133 0.000 1.168 38 L HN 0.908 nan 8.230 nan 0.000 0.496 39 N N 2.004 120.905 118.700 0.334 0.000 2.782 39 N HA -0.218 4.523 4.740 0.001 0.000 0.251 39 N C 0.919 176.477 175.510 0.079 0.000 1.101 39 N CA 0.285 53.437 53.050 0.169 0.000 0.764 39 N CB -0.927 37.620 38.487 0.101 0.000 1.122 39 N HN 1.112 nan 8.380 nan 0.000 0.561 40 G N -1.876 106.967 108.800 0.073 0.000 2.176 40 G HA2 -0.292 3.668 3.960 0.001 0.000 0.253 40 G HA3 -0.292 3.668 3.960 0.001 0.000 0.253 40 G C 0.005 174.871 174.900 -0.057 0.000 0.979 40 G CA 0.245 45.358 45.100 0.022 0.000 0.641 40 G HN 0.391 nan 8.290 nan 0.000 0.530 41 V N 3.450 123.317 119.914 -0.078 0.000 2.398 41 V HA 0.521 4.642 4.120 0.001 0.000 0.286 41 V C -1.374 174.583 176.094 -0.227 0.000 1.026 41 V CA -1.576 60.630 62.300 -0.158 0.000 0.868 41 V CB 1.840 33.599 31.823 -0.108 0.000 0.982 41 V HN 0.173 nan 8.190 nan 0.000 0.443 42 P HA 0.202 nan 4.420 nan 0.000 0.271 42 P C -1.108 176.037 177.300 -0.257 0.000 1.244 42 P CA -0.068 62.742 63.100 -0.484 0.000 0.793 42 P CB 0.659 31.742 31.700 -1.029 0.000 0.984 43 N N -2.058 116.544 118.700 -0.163 0.000 3.039 43 N HA 0.453 5.194 4.740 0.001 0.000 0.257 43 N C 0.583 176.087 175.510 -0.009 0.000 1.497 43 N CA -0.712 52.294 53.050 -0.073 0.000 0.861 43 N CB -0.344 38.110 38.487 -0.055 0.000 1.479 43 N HN 0.174 nan 8.380 nan 0.000 0.547 44 A N -0.200 122.625 122.820 0.009 0.000 1.948 44 A HA -0.015 4.306 4.320 0.001 0.000 0.220 44 A C 2.098 179.733 177.584 0.086 0.000 1.177 44 A CA 2.493 54.554 52.037 0.039 0.000 0.636 44 A CB -1.605 17.411 19.000 0.027 0.000 0.815 44 A HN 0.875 nan 8.150 nan 0.000 0.449 45 A N -0.718 122.165 122.820 0.105 0.000 1.908 45 A HA -0.037 4.283 4.320 0.001 0.000 0.218 45 A C 2.063 179.826 177.584 0.298 0.000 1.181 45 A CA 1.741 53.896 52.037 0.196 0.000 0.627 45 A CB -0.537 18.590 19.000 0.211 0.000 0.818 45 A HN 0.420 nan 8.150 nan 0.000 0.445 46 L N -0.443 120.954 121.223 0.289 0.000 2.017 46 L HA -0.121 4.219 4.340 0.001 0.000 0.208 46 L C 3.039 180.175 176.870 0.444 0.000 1.073 46 L CA 1.862 56.951 54.840 0.414 0.000 0.745 46 L CB -0.828 41.424 42.059 0.321 0.000 0.894 46 L HN 0.389 nan 8.230 nan 0.000 0.432 47 A N -0.515 122.461 122.820 0.260 0.000 1.873 47 A HA -0.312 4.008 4.320 0.001 0.000 0.218 47 A C 2.287 179.973 177.584 0.170 0.000 1.193 47 A CA 2.071 54.224 52.037 0.193 0.000 0.629 47 A CB -0.746 18.309 19.000 0.093 0.000 0.826 47 A HN 0.438 nan 8.150 nan 0.000 0.447 48 E N -0.905 119.376 120.200 0.136 0.000 2.070 48 E HA -0.256 4.094 4.350 0.001 0.000 0.197 48 E C 1.825 178.470 176.600 0.074 0.000 1.004 48 E CA 2.142 58.600 56.400 0.097 0.000 0.805 48 E CB -0.650 29.105 29.700 0.091 0.000 0.744 48 E HN 0.727 nan 8.360 nan 0.000 0.451 49 Y N -0.613 119.606 120.300 -0.135 0.000 2.200 49 Y HA -0.200 4.350 4.550 0.000 0.000 0.290 49 Y C 1.745 177.463 175.900 -0.303 0.000 1.137 49 Y CA 1.827 59.699 58.100 -0.380 0.000 1.163 49 Y CB -0.528 37.390 38.460 -0.904 0.000 0.988 49 Y HN 0.090 nan 8.280 nan 0.000 0.518 50 Y N 0.103 120.277 120.300 -0.210 0.000 2.220 50 Y HA -0.071 4.479 4.550 0.001 0.000 0.291 50 Y C 2.729 178.513 175.900 -0.194 0.000 1.129 50 Y CA 1.265 59.194 58.100 -0.285 0.000 1.161 50 Y CB -1.063 37.358 38.460 -0.064 0.000 0.997 50 Y HN 0.258 nan 8.280 nan 0.000 0.522 51 A N 0.173 123.032 122.820 0.065 0.000 1.865 51 A HA -0.315 4.006 4.320 0.001 0.000 0.217 51 A C 2.111 179.723 177.584 0.047 0.000 1.191 51 A CA 2.094 54.155 52.037 0.041 0.000 0.623 51 A CB -0.925 18.103 19.000 0.046 0.000 0.826 51 A HN 0.541 nan 8.150 nan 0.000 0.444 52 Q N -1.079 118.756 119.800 0.058 0.000 2.173 52 Q HA -0.238 4.102 4.340 0.001 0.000 0.208 52 Q C 2.174 178.247 176.000 0.123 0.000 0.989 52 Q CA 1.974 57.898 55.803 0.201 0.000 0.872 52 Q CB -0.180 28.644 28.738 0.143 0.000 0.909 52 Q HN 0.618 nan 8.270 nan 0.000 0.420 53 R N -0.227 120.227 120.500 -0.076 0.000 2.297 53 R HA 0.061 4.402 4.340 0.001 0.000 0.197 53 R C 0.212 176.520 176.300 0.014 0.000 0.943 53 R CA 0.201 56.250 56.100 -0.085 0.000 1.038 53 R CB 0.481 30.531 30.300 -0.417 0.000 0.957 53 R HN 0.050 nan 8.270 nan 0.000 0.484 54 T N 1.148 115.718 114.554 0.027 0.000 2.884 54 T HA 0.169 4.520 4.350 0.001 0.000 0.298 54 T C 0.322 175.090 174.700 0.114 0.000 0.998 54 T CA -0.051 62.081 62.100 0.053 0.000 1.124 54 T CB 1.368 70.249 68.868 0.022 0.000 0.931 54 T HN 0.207 nan 8.240 nan 0.000 0.531 55 T N 0.848 115.498 114.554 0.160 0.000 2.916 55 T HA 0.586 4.937 4.350 0.001 0.000 0.292 55 T C -3.164 171.636 174.700 0.166 0.000 1.055 55 T CA -2.701 59.515 62.100 0.192 0.000 1.009 55 T CB 1.461 70.510 68.868 0.302 0.000 1.118 55 T HN 0.108 nan 8.240 nan 0.000 0.497 56 P HA 0.291 nan 4.420 nan 0.000 0.263 56 P C 1.150 178.527 177.300 0.129 0.000 1.195 56 P CA 1.067 64.221 63.100 0.089 0.000 0.762 56 P CB 0.117 31.867 31.700 0.084 0.000 0.799 57 G N 2.388 111.247 108.800 0.099 0.000 2.166 57 G HA2 -0.195 3.765 3.960 0.001 0.000 0.260 57 G HA3 -0.195 3.765 3.960 0.001 0.000 0.260 57 G C 0.612 175.643 174.900 0.219 0.000 0.986 57 G CA -0.059 45.207 45.100 0.276 0.000 0.683 57 G HN 0.882 nan 8.290 nan 0.000 0.527 58 G N -0.653 108.230 108.800 0.139 0.000 2.395 58 G HA2 0.568 4.528 3.960 0.001 0.000 0.283 58 G HA3 0.568 4.528 3.960 0.001 0.000 0.283 58 G C -0.568 174.490 174.900 0.263 0.000 1.178 58 G CA -0.584 44.562 45.100 0.076 0.000 0.837 58 G HN 0.508 nan 8.290 nan 0.000 0.518 59 F N 1.965 121.939 119.950 0.040 0.000 2.420 59 F HA 0.672 5.199 4.527 0.000 0.000 0.342 59 F C -0.220 175.563 175.800 -0.028 0.000 1.113 59 F CA -1.021 56.984 58.000 0.009 0.000 1.059 59 F CB 1.256 40.165 39.000 -0.151 0.000 1.128 59 F HN 0.190 nan 8.300 nan 0.000 0.475 60 L N 6.909 127.750 121.223 -0.638 0.000 2.381 60 L HA 0.584 4.924 4.340 0.001 0.000 0.268 60 L C -0.978 175.558 176.870 -0.557 0.000 0.997 60 L CA -0.956 53.616 54.840 -0.446 0.000 0.818 60 L CB 2.346 44.256 42.059 -0.250 0.000 1.310 60 L HN 0.458 nan 8.230 nan 0.000 0.416 61 I N 1.232 121.650 120.570 -0.252 0.000 2.406 61 I HA 0.263 4.433 4.170 0.001 0.000 0.290 61 I C 0.471 176.596 176.117 0.013 0.000 0.999 61 I CA -0.400 60.838 61.300 -0.103 0.000 1.124 61 I CB 2.182 40.192 38.000 0.017 0.000 1.289 61 I HN 0.703 nan 8.210 nan 0.000 0.441 62 S N 5.017 120.713 115.700 -0.007 0.000 2.593 62 S HA 0.175 4.645 4.470 0.001 0.000 0.269 62 S C 0.188 174.886 174.600 0.163 0.000 1.334 62 S CA -0.767 57.492 58.200 0.097 0.000 1.015 62 S CB 0.666 63.818 63.200 -0.080 0.000 0.912 62 S HN 0.681 nan 8.310 nan 0.000 0.541 63 E N 1.113 121.515 120.200 0.337 0.000 2.459 63 E HA 0.160 4.511 4.350 0.001 0.000 0.264 63 E C 0.682 177.355 176.600 0.121 0.000 1.055 63 E CA -0.194 56.323 56.400 0.195 0.000 0.957 63 E CB -0.303 29.569 29.700 0.286 0.000 0.952 63 E HN 0.825 nan 8.360 nan 0.000 0.448 64 G N 1.654 110.430 108.800 -0.040 0.000 2.265 64 G HA2 0.152 4.113 3.960 0.001 0.000 0.240 64 G HA3 0.152 4.113 3.960 0.001 0.000 0.240 64 G C -0.601 174.567 174.900 0.447 0.000 1.270 64 G CA -0.094 45.046 45.100 0.068 0.000 0.901 64 G HN 0.464 nan 8.290 nan 0.000 0.507 65 T N 3.835 118.622 114.554 0.388 0.000 2.848 65 T HA 0.401 4.752 4.350 0.001 0.000 0.285 65 T C 0.607 175.458 174.700 0.252 0.000 0.995 65 T CA -0.476 61.818 62.100 0.324 0.000 0.970 65 T CB 1.332 70.330 68.868 0.216 0.000 0.976 65 T HN 0.480 nan 8.240 nan 0.000 0.441 66 M N 2.634 122.358 119.600 0.207 0.000 2.250 66 M HA 0.068 4.549 4.480 0.001 0.000 0.337 66 M C 1.440 177.841 176.300 0.169 0.000 1.161 66 M CA 0.096 55.471 55.300 0.125 0.000 1.088 66 M CB 0.530 33.257 32.600 0.211 0.000 1.639 66 M HN 0.595 nan 8.290 nan 0.000 0.447 67 V N -1.204 118.710 119.914 0.001 0.000 3.635 67 V HA 0.283 4.403 4.120 0.001 0.000 0.266 67 V C 0.324 176.359 176.094 -0.098 0.000 1.316 67 V CA 0.451 62.715 62.300 -0.059 0.000 1.060 67 V CB -0.029 31.574 31.823 -0.368 0.000 0.820 67 V HN 0.882 nan 8.190 nan 0.000 0.447 68 S N -1.398 114.125 115.700 -0.295 0.000 2.552 68 S HA 0.640 5.110 4.470 0.001 0.000 0.272 68 S C -3.479 170.674 174.600 -0.745 0.000 1.150 68 S CA -1.165 56.687 58.200 -0.581 0.000 0.849 68 S CB 1.279 64.327 63.200 -0.252 0.000 1.113 68 S HN 0.046 nan 8.310 nan 0.000 0.458 69 P HA 0.357 nan 4.420 nan 0.000 0.262 69 P C 1.135 178.283 177.300 -0.254 0.000 1.182 69 P CA 1.690 64.527 63.100 -0.439 0.000 0.761 69 P CB 0.179 31.701 31.700 -0.296 0.000 0.795 70 G N 2.440 111.126 108.800 -0.190 0.000 2.238 70 G HA2 -0.274 3.686 3.960 0.001 0.000 0.217 70 G HA3 -0.274 3.686 3.960 0.001 0.000 0.217 70 G C 1.028 175.737 174.900 -0.319 0.000 0.996 70 G CA 0.345 45.355 45.100 -0.150 0.000 0.632 70 G HN 0.588 nan 8.290 nan 0.000 0.503 71 S N -0.009 115.368 115.700 -0.538 0.000 2.603 71 S HA 0.675 5.145 4.470 0.001 0.000 0.220 71 S C 1.094 175.278 174.600 -0.693 0.000 0.967 71 S CA 1.178 58.794 58.200 -0.973 0.000 0.920 71 S CB 0.403 63.057 63.200 -0.910 0.000 0.773 71 S HN 1.850 nan 8.310 nan 0.000 0.529 72 A N 0.506 123.041 122.820 -0.475 0.000 2.301 72 A HA 0.722 5.042 4.320 0.001 0.000 0.312 72 A C 0.855 178.090 177.584 -0.582 0.000 1.182 72 A CA -0.314 51.396 52.037 -0.544 0.000 0.826 72 A CB 0.804 19.558 19.000 -0.412 0.000 1.134 72 A HN 0.498 nan 8.150 nan 0.000 0.501 73 G N 0.496 108.920 108.800 -0.627 0.000 3.695 73 G HA2 0.486 4.446 3.960 0.001 0.000 0.277 73 G HA3 0.486 4.446 3.960 0.001 0.000 0.277 73 G C -0.467 174.065 174.900 -0.613 0.000 1.001 73 G CA 0.028 44.862 45.100 -0.443 0.000 0.837 73 G HN 0.408 nan 8.290 nan 0.000 0.492 74 F N 0.572 120.014 119.950 -0.846 0.000 2.599 74 F HA 0.533 5.060 4.527 0.000 0.000 0.311 74 F C -2.267 173.229 175.800 -0.507 0.000 1.076 74 F CA -2.326 55.395 58.000 -0.465 0.000 0.937 74 F CB 3.116 42.035 39.000 -0.136 0.000 1.282 74 F HN -0.206 nan 8.300 nan 0.000 0.460 75 P HA 0.170 nan 4.420 nan 0.000 0.284 75 P C -0.720 176.602 177.300 0.036 0.000 1.253 75 P CA 0.194 63.296 63.100 0.003 0.000 0.800 75 P CB 0.635 32.369 31.700 0.056 0.000 0.961 76 H N -1.843 117.289 119.070 0.102 0.000 2.820 76 H HA -0.120 4.437 4.556 0.001 0.000 0.295 76 H C 0.368 175.729 175.328 0.055 0.000 1.187 76 H CA 0.625 56.709 56.048 0.059 0.000 1.144 76 H CB -2.366 27.418 29.762 0.036 0.000 1.354 76 H HN 0.396 nan 8.280 nan 0.000 0.395 77 V N -0.699 119.291 119.914 0.126 0.000 2.732 77 V HA 0.530 4.651 4.120 0.001 0.000 0.297 77 V C -1.667 174.500 176.094 0.122 0.000 1.060 77 V CA -1.495 60.891 62.300 0.142 0.000 1.038 77 V CB 1.845 33.764 31.823 0.159 0.000 1.003 77 V HN -0.055 nan 8.190 nan 0.000 0.481 78 P HA 0.501 nan 4.420 nan 0.000 0.276 78 P C -0.056 177.369 177.300 0.208 0.000 1.252 78 P CA 0.129 63.303 63.100 0.122 0.000 0.802 78 P CB 1.410 33.183 31.700 0.121 0.000 1.035 79 G N -0.272 108.619 108.800 0.151 0.000 2.600 79 G HA2 0.563 4.523 3.960 0.001 0.000 0.303 79 G HA3 0.563 4.523 3.960 0.001 0.000 0.303 79 G C -0.935 174.090 174.900 0.207 0.000 1.253 79 G CA -0.598 44.583 45.100 0.134 0.000 0.974 79 G HN 0.472 nan 8.290 nan 0.000 0.483 80 I N -0.046 120.601 120.570 0.128 0.000 3.820 80 I HA 0.269 4.439 4.170 0.001 0.000 0.323 80 I C 0.705 176.863 176.117 0.069 0.000 1.482 80 I CA -0.657 60.721 61.300 0.131 0.000 1.048 80 I CB 0.037 38.074 38.000 0.061 0.000 1.436 80 I HN 0.575 nan 8.210 nan 0.000 0.575 81 Y N -0.723 119.619 120.300 0.069 0.000 2.503 81 Y HA 0.508 5.058 4.550 0.001 0.000 0.278 81 Y C 1.097 177.025 175.900 0.045 0.000 1.111 81 Y CA 0.106 58.227 58.100 0.034 0.000 1.270 81 Y CB -0.930 37.534 38.460 0.006 0.000 1.063 81 Y HN 0.176 nan 8.280 nan 0.000 0.548 82 S N 0.111 115.670 115.700 -0.236 0.000 2.638 82 S HA 0.268 4.739 4.470 0.001 0.000 0.298 82 S C 0.086 174.665 174.600 -0.035 0.000 1.111 82 S CA -0.473 57.673 58.200 -0.090 0.000 1.027 82 S CB 1.564 64.666 63.200 -0.163 0.000 1.064 82 S HN 0.165 nan 8.310 nan 0.000 0.525 83 D N 0.990 121.393 120.400 0.005 0.000 2.144 83 D HA -0.101 4.540 4.640 0.001 0.000 0.199 83 D C 1.645 177.952 176.300 0.011 0.000 0.984 83 D CA 1.466 55.478 54.000 0.020 0.000 0.834 83 D CB -0.344 40.471 40.800 0.025 0.000 0.955 83 D HN 0.860 nan 8.370 nan 0.000 0.465 84 E N 0.540 120.733 120.200 -0.012 0.000 2.085 84 E HA -0.256 4.095 4.350 0.001 0.000 0.194 84 E C 1.894 178.476 176.600 -0.030 0.000 0.994 84 E CA 1.152 57.538 56.400 -0.023 0.000 0.801 84 E CB 0.087 29.766 29.700 -0.036 0.000 0.743 84 E HN 0.324 nan 8.360 nan 0.000 0.453 85 Q N -0.143 119.627 119.800 -0.050 0.000 2.046 85 Q HA -0.138 4.202 4.340 0.001 0.000 0.200 85 Q C 2.381 178.475 176.000 0.156 0.000 0.975 85 Q CA 1.681 57.471 55.803 -0.021 0.000 0.836 85 Q CB 0.015 28.709 28.738 -0.073 0.000 0.896 85 Q HN 0.188 nan 8.270 nan 0.000 0.428 86 V N 1.480 121.493 119.914 0.166 0.000 2.252 86 V HA -0.292 3.828 4.120 0.001 0.000 0.249 86 V C 2.190 178.384 176.094 0.167 0.000 1.056 86 V CA 1.948 64.373 62.300 0.208 0.000 1.022 86 V CB -0.549 31.345 31.823 0.118 0.000 0.641 86 V HN 0.351 nan 8.190 nan 0.000 0.445 87 E N 0.104 120.355 120.200 0.086 0.000 2.077 87 E HA -0.172 4.179 4.350 0.001 0.000 0.193 87 E C 2.304 178.928 176.600 0.041 0.000 0.989 87 E CA 1.579 58.011 56.400 0.052 0.000 0.800 87 E CB -0.546 29.169 29.700 0.024 0.000 0.746 87 E HN 0.602 nan 8.360 nan 0.000 0.452 88 A N -0.389 122.439 122.820 0.013 0.000 2.014 88 A HA -0.112 4.208 4.320 0.001 0.000 0.218 88 A C 2.015 179.569 177.584 -0.049 0.000 1.163 88 A CA 0.650 52.655 52.037 -0.053 0.000 0.652 88 A CB -0.928 17.993 19.000 -0.131 0.000 0.808 88 A HN 0.308 nan 8.150 nan 0.000 0.449 89 W N 0.352 121.643 121.300 -0.015 0.000 2.402 89 W HA -0.072 4.589 4.660 0.001 0.000 0.286 89 W C 2.218 178.645 176.519 -0.152 0.000 1.221 89 W CA 1.257 58.577 57.345 -0.042 0.000 1.257 89 W CB 0.102 29.590 29.460 0.046 0.000 1.120 89 W HN 0.237 nan 8.180 nan 0.000 0.551 90 K N 0.458 120.927 120.400 0.116 0.000 2.089 90 K HA -0.327 3.993 4.320 0.001 0.000 0.210 90 K C 2.142 178.717 176.600 -0.041 0.000 1.048 90 K CA 2.178 58.462 56.287 -0.005 0.000 0.926 90 K CB -0.456 32.049 32.500 0.008 0.000 0.714 90 K HN 0.385 nan 8.250 nan 0.000 0.448 91 Q N 0.469 120.262 119.800 -0.011 0.000 2.084 91 Q HA -0.144 4.196 4.340 0.001 0.000 0.202 91 Q C 1.937 177.921 176.000 -0.026 0.000 0.978 91 Q CA 1.750 57.541 55.803 -0.019 0.000 0.844 91 Q CB -0.422 28.312 28.738 -0.008 0.000 0.898 91 Q HN 0.071 nan 8.270 nan 0.000 0.426 92 V N 1.299 121.215 119.914 0.004 0.000 2.295 92 V HA -0.224 3.896 4.120 0.001 0.000 0.246 92 V C 2.473 178.484 176.094 -0.139 0.000 1.049 92 V CA 1.601 63.916 62.300 0.026 0.000 1.024 92 V CB -0.426 31.514 31.823 0.194 0.000 0.648 92 V HN 0.275 nan 8.190 nan 0.000 0.447 93 V N -0.104 119.633 119.914 -0.296 0.000 2.307 93 V HA -0.251 3.869 4.120 0.001 0.000 0.245 93 V C 2.400 178.167 176.094 -0.546 0.000 1.045 93 V CA 2.043 63.986 62.300 -0.596 0.000 1.024 93 V CB -0.754 30.600 31.823 -0.782 0.000 0.651 93 V HN 0.575 nan 8.190 nan 0.000 0.449 94 E N 0.452 120.481 120.200 -0.284 0.000 2.085 94 E HA -0.230 4.121 4.350 0.001 0.000 0.194 94 E C 2.328 178.873 176.600 -0.093 0.000 0.994 94 E CA 1.383 57.704 56.400 -0.132 0.000 0.801 94 E CB -0.374 29.291 29.700 -0.059 0.000 0.743 94 E HN 0.604 nan 8.360 nan 0.000 0.453 95 A N 0.795 123.560 122.820 -0.092 0.000 1.883 95 A HA -0.171 4.149 4.320 0.001 0.000 0.217 95 A C 2.502 180.051 177.584 -0.060 0.000 1.186 95 A CA 1.363 53.371 52.037 -0.047 0.000 0.624 95 A CB -0.706 18.286 19.000 -0.012 0.000 0.822 95 A HN 0.131 nan 8.150 nan 0.000 0.444 96 V N -0.352 119.482 119.914 -0.132 0.000 2.295 96 V HA -0.240 3.880 4.120 0.001 0.000 0.246 96 V C 2.479 178.535 176.094 -0.062 0.000 1.049 96 V CA 2.203 64.426 62.300 -0.128 0.000 1.024 96 V CB -1.070 30.619 31.823 -0.224 0.000 0.648 96 V HN 0.658 nan 8.190 nan 0.000 0.447 97 H N 0.501 119.493 119.070 -0.130 0.000 2.387 97 H HA -0.054 4.502 4.556 0.001 0.000 0.299 97 H C 2.357 177.620 175.328 -0.109 0.000 1.090 97 H CA 1.424 57.385 56.048 -0.144 0.000 1.332 97 H CB -0.859 28.831 29.762 -0.122 0.000 1.386 97 H HN 0.437 nan 8.280 nan 0.000 0.516 98 A N 1.136 123.984 122.820 0.047 0.000 1.917 98 A HA -0.215 4.105 4.320 0.001 0.000 0.219 98 A C 2.080 179.662 177.584 -0.003 0.000 1.182 98 A CA 1.929 53.973 52.037 0.012 0.000 0.633 98 A CB -0.347 18.654 19.000 0.003 0.000 0.819 98 A HN 0.347 nan 8.150 nan 0.000 0.448 99 K N -1.369 119.028 120.400 -0.006 0.000 2.476 99 K HA 0.271 4.592 4.320 0.001 0.000 0.196 99 K C 0.853 177.442 176.600 -0.019 0.000 1.025 99 K CA 0.456 56.741 56.287 -0.005 0.000 1.138 99 K CB -0.121 32.384 32.500 0.009 0.000 0.860 99 K HN 0.694 nan 8.250 nan 0.000 0.515 100 G N 0.794 109.562 108.800 -0.054 0.000 2.147 100 G HA2 -0.240 3.720 3.960 0.001 0.000 0.244 100 G HA3 -0.240 3.720 3.960 0.001 0.000 0.244 100 G C 0.294 175.053 174.900 -0.235 0.000 1.005 100 G CA -0.084 44.938 45.100 -0.131 0.000 0.713 100 G HN 0.488 nan 8.290 nan 0.000 0.515 101 G N -1.222 107.470 108.800 -0.180 0.000 2.522 101 G HA2 0.718 4.678 3.960 0.001 0.000 0.304 101 G HA3 0.718 4.678 3.960 0.001 0.000 0.304 101 G C -0.535 174.157 174.900 -0.346 0.000 1.210 101 G CA -1.068 43.920 45.100 -0.186 0.000 0.960 101 G HN 0.278 nan 8.290 nan 0.000 0.497 102 F N -0.776 119.188 119.950 0.023 0.000 2.492 102 F HA 0.658 5.185 4.527 0.001 0.000 0.327 102 F C 0.162 175.810 175.800 -0.254 0.000 1.079 102 F CA -0.735 57.247 58.000 -0.029 0.000 0.967 102 F CB 2.380 41.389 39.000 0.015 0.000 1.169 102 F HN 0.258 nan 8.300 nan 0.000 0.472 103 I N 2.335 122.921 120.570 0.026 0.000 2.607 103 I HA 0.485 4.655 4.170 0.001 0.000 0.290 103 I C -1.903 174.361 176.117 0.246 0.000 1.129 103 I CA -0.463 60.782 61.300 -0.091 0.000 1.042 103 I CB 1.160 39.068 38.000 -0.154 0.000 1.242 103 I HN 0.336 nan 8.210 nan 0.000 0.421 104 F N 6.454 126.252 119.950 -0.254 0.000 2.469 104 F HA 0.418 4.945 4.527 0.000 0.000 0.332 104 F C 0.090 175.700 175.800 -0.318 0.000 1.103 104 F CA -1.105 56.809 58.000 -0.144 0.000 0.979 104 F CB 1.523 40.520 39.000 -0.005 0.000 1.137 104 F HN 0.384 nan 8.300 nan 0.000 0.463 105 C N 5.134 124.036 119.300 -0.663 0.000 2.394 105 C HA 0.347 4.807 4.460 0.001 0.000 0.362 105 C C 0.272 175.018 174.990 -0.407 0.000 1.268 105 C CA -0.497 57.942 59.018 -0.965 0.000 1.828 105 C CB -0.729 25.869 27.740 -1.902 0.000 2.442 105 C HN 0.851 nan 8.230 nan 0.000 0.549 106 Q N 5.458 125.136 119.800 -0.204 0.000 2.293 106 Q HA 0.376 4.716 4.340 0.001 0.000 0.263 106 Q C -0.956 175.049 176.000 0.010 0.000 1.002 106 Q CA -0.019 55.751 55.803 -0.055 0.000 0.910 106 Q CB 0.560 29.265 28.738 -0.054 0.000 1.185 106 Q HN 0.820 nan 8.270 nan 0.000 0.401 107 L N 5.170 126.443 121.223 0.083 0.000 2.278 107 L HA 0.343 4.683 4.340 0.001 0.000 0.287 107 L C -0.725 176.366 176.870 0.368 0.000 1.072 107 L CA -0.521 54.419 54.840 0.167 0.000 0.819 107 L CB 0.267 42.437 42.059 0.185 0.000 1.176 107 L HN 0.682 nan 8.230 nan 0.000 0.435 108 W N 4.988 126.323 121.300 0.058 0.000 2.600 108 W HA 0.359 5.019 4.660 -0.000 0.000 0.325 108 W C -0.908 175.606 176.519 -0.008 0.000 1.034 108 W CA -0.680 56.694 57.345 0.049 0.000 1.226 108 W CB 0.895 30.353 29.460 -0.003 0.000 1.379 108 W HN 0.358 nan 8.180 nan 0.000 0.466 109 H N 5.410 124.549 119.070 0.115 0.000 2.658 109 H HA 0.280 4.837 4.556 0.002 0.000 0.337 109 H C 0.803 176.053 175.328 -0.129 0.000 1.009 109 H CA -0.026 55.963 56.048 -0.098 0.000 1.231 109 H CB 1.954 31.775 29.762 0.098 0.000 1.508 109 H HN 0.390 nan 8.280 nan 0.000 0.517 110 V N 2.560 122.322 119.914 -0.253 0.000 3.041 110 V HA 0.211 4.332 4.120 0.001 0.000 0.260 110 V C 1.427 177.704 176.094 0.306 0.000 1.105 110 V CA 1.039 63.347 62.300 0.012 0.000 1.125 110 V CB -0.818 30.872 31.823 -0.222 0.000 0.730 110 V HN 0.971 nan 8.190 nan 0.000 0.479 111 G N 2.599 111.651 108.800 0.419 0.000 2.591 111 G HA2 -0.447 3.513 3.960 0.001 0.000 0.298 111 G HA3 -0.447 3.513 3.960 0.001 0.000 0.298 111 G C 1.039 176.021 174.900 0.135 0.000 1.195 111 G CA 1.264 46.517 45.100 0.254 0.000 0.989 111 G HN 0.944 nan 8.290 nan 0.000 0.551 112 R N 0.999 121.525 120.500 0.043 0.000 2.285 112 R HA 0.408 4.748 4.340 0.001 0.000 0.213 112 R C 1.877 178.188 176.300 0.017 0.000 1.068 112 R CA 1.548 57.650 56.100 0.005 0.000 1.004 112 R CB -0.229 30.030 30.300 -0.069 0.000 0.873 112 R HN 1.249 nan 8.270 nan 0.000 0.467 113 A N 1.295 124.124 122.820 0.016 0.000 3.033 113 A HA 0.231 4.551 4.320 0.001 0.000 0.250 113 A C 0.028 177.807 177.584 0.324 0.000 1.633 113 A CA -0.230 51.820 52.037 0.022 0.000 1.290 113 A CB -0.195 18.826 19.000 0.035 0.000 1.048 113 A HN 0.397 nan 8.150 nan 0.000 0.648 114 S N -0.836 115.072 115.700 0.346 0.000 2.998 114 S HA 0.701 5.171 4.470 0.001 0.000 0.323 114 S C -1.004 173.814 174.600 0.362 0.000 1.141 114 S CA -0.478 57.900 58.200 0.297 0.000 0.873 114 S CB 1.229 64.525 63.200 0.161 0.000 1.315 114 S HN 0.706 nan 8.310 nan 0.000 0.637 115 H N -1.046 118.150 119.070 0.209 0.000 3.037 115 H HA 0.518 5.074 4.556 0.001 0.000 0.355 115 H C 0.721 176.035 175.328 -0.024 0.000 1.263 115 H CA 0.189 56.260 56.048 0.038 0.000 1.129 115 H CB 1.674 31.380 29.762 -0.094 0.000 1.861 115 H HN 0.713 nan 8.280 nan 0.000 0.546 116 A N 2.460 125.036 122.820 -0.406 0.000 1.927 116 A HA -0.171 4.149 4.320 0.001 0.000 0.220 116 A C 2.237 179.796 177.584 -0.042 0.000 1.185 116 A CA 2.291 54.214 52.037 -0.191 0.000 0.639 116 A CB -0.888 17.954 19.000 -0.263 0.000 0.820 116 A HN 0.397 nan 8.150 nan 0.000 0.451 117 V N -1.647 118.309 119.914 0.070 0.000 2.317 117 V HA -0.298 3.823 4.120 0.001 0.000 0.251 117 V C 2.036 177.976 176.094 -0.257 0.000 1.065 117 V CA 2.101 64.291 62.300 -0.185 0.000 1.049 117 V CB -0.995 30.550 31.823 -0.464 0.000 0.651 117 V HN 0.722 nan 8.190 nan 0.000 0.450 118 Y N -0.971 119.340 120.300 0.017 0.000 2.470 118 Y HA 0.301 4.851 4.550 0.000 0.000 0.284 118 Y C 1.012 176.883 175.900 -0.049 0.000 1.188 118 Y CA -0.585 57.494 58.100 -0.036 0.000 1.269 118 Y CB -0.132 38.293 38.460 -0.058 0.000 1.094 118 Y HN 0.277 nan 8.280 nan 0.000 0.518 119 Q N 1.675 121.510 119.800 0.058 0.000 2.312 119 Q HA 0.336 4.677 4.340 0.001 0.000 0.263 119 Q C -2.628 173.368 176.000 -0.005 0.000 0.995 119 Q CA -2.574 53.238 55.803 0.015 0.000 0.853 119 Q CB 1.564 30.301 28.738 -0.001 0.000 1.300 119 Q HN 0.039 nan 8.270 nan 0.000 0.448 120 P HA -0.042 nan 4.420 nan 0.000 0.265 120 P C -0.177 177.113 177.300 -0.017 0.000 1.193 120 P CA 0.276 63.366 63.100 -0.016 0.000 0.765 120 P CB 0.431 32.115 31.700 -0.027 0.000 0.823 121 N N 1.599 120.290 118.700 -0.015 0.000 2.713 121 N HA -0.226 4.514 4.740 0.001 0.000 0.251 121 N C 0.916 176.413 175.510 -0.023 0.000 1.117 121 N CA 1.495 54.535 53.050 -0.016 0.000 0.770 121 N CB -2.039 36.439 38.487 -0.015 0.000 1.137 121 N HN 0.909 nan 8.380 nan 0.000 0.566 122 G N -0.591 108.193 108.800 -0.027 0.000 2.221 122 G HA2 -0.210 3.751 3.960 0.001 0.000 0.265 122 G HA3 -0.210 3.751 3.960 0.001 0.000 0.265 122 G C 0.679 175.551 174.900 -0.046 0.000 1.041 122 G CA 1.003 46.080 45.100 -0.039 0.000 0.807 122 G HN 0.887 nan 8.290 nan 0.000 0.502 123 G N -0.588 108.190 108.800 -0.036 0.000 2.611 123 G HA2 0.500 4.461 3.960 0.001 0.000 0.273 123 G HA3 0.500 4.461 3.960 0.001 0.000 0.273 123 G C 0.486 175.359 174.900 -0.045 0.000 1.305 123 G CA 0.500 45.579 45.100 -0.036 0.000 1.010 123 G HN 0.778 nan 8.290 nan 0.000 0.509 124 S N 1.224 116.901 115.700 -0.039 0.000 2.565 124 S HA 0.407 4.877 4.470 0.001 0.000 0.274 124 S C -2.097 172.493 174.600 -0.015 0.000 1.309 124 S CA -0.656 57.521 58.200 -0.039 0.000 1.043 124 S CB 1.388 64.566 63.200 -0.037 0.000 0.939 124 S HN 0.343 nan 8.310 nan 0.000 0.504 125 P HA 0.155 nan 4.420 nan 0.000 0.269 125 P C -0.438 176.875 177.300 0.022 0.000 1.209 125 P CA -0.249 62.871 63.100 0.033 0.000 0.776 125 P CB 0.123 31.857 31.700 0.057 0.000 0.876 126 I N -1.242 119.356 120.570 0.046 0.000 2.428 126 I HA 0.728 4.898 4.170 0.001 0.000 0.296 126 I C 0.188 176.288 176.117 -0.028 0.000 0.985 126 I CA -0.215 61.085 61.300 -0.000 0.000 1.260 126 I CB 1.736 39.733 38.000 -0.006 0.000 1.389 126 I HN 0.195 nan 8.210 nan 0.000 0.484 127 S N 1.982 117.625 115.700 -0.094 0.000 2.819 127 S HA 0.428 4.899 4.470 0.001 0.000 0.299 127 S C 0.721 175.131 174.600 -0.316 0.000 1.192 127 S CA 0.021 58.120 58.200 -0.169 0.000 0.847 127 S CB 1.315 64.421 63.200 -0.157 0.000 1.224 127 S HN 0.863 nan 8.310 nan 0.000 0.537 128 S N -0.048 115.294 115.700 -0.597 0.000 2.458 128 S HA 0.194 4.664 4.470 0.001 0.000 0.223 128 S C 0.870 175.189 174.600 -0.468 0.000 1.019 128 S CA 0.698 58.346 58.200 -0.920 0.000 0.937 128 S CB -0.217 61.944 63.200 -1.731 0.000 0.788 128 S HN 0.689 nan 8.310 nan 0.000 0.511 129 T N 0.603 114.959 114.554 -0.330 0.000 2.940 129 T HA 0.426 4.777 4.350 0.001 0.000 0.288 129 T C 0.152 174.766 174.700 -0.144 0.000 1.045 129 T CA -0.820 61.157 62.100 -0.205 0.000 1.018 129 T CB 1.254 70.015 68.868 -0.178 0.000 1.151 129 T HN 0.068 nan 8.240 nan 0.000 0.529 130 N N 1.006 119.645 118.700 -0.101 0.000 2.299 130 N HA 0.115 4.856 4.740 0.001 0.000 0.187 130 N C -0.243 175.231 175.510 -0.059 0.000 1.099 130 N CA 0.176 53.182 53.050 -0.072 0.000 0.867 130 N CB 0.314 38.767 38.487 -0.056 0.000 0.974 130 N HN 0.493 nan 8.380 nan 0.000 0.477 131 K N 2.456 122.817 120.400 -0.066 0.000 2.368 131 K HA 0.149 4.469 4.320 0.001 0.000 0.282 131 K C -2.178 174.394 176.600 -0.046 0.000 1.035 131 K CA -1.210 55.047 56.287 -0.049 0.000 0.973 131 K CB 0.545 33.014 32.500 -0.052 0.000 0.957 131 K HN 0.068 nan 8.250 nan 0.000 0.474 132 P HA 0.065 nan 4.420 nan 0.000 0.274 132 P C -0.176 177.119 177.300 -0.008 0.000 1.246 132 P CA -0.208 62.892 63.100 0.001 0.000 0.795 132 P CB 0.572 32.293 31.700 0.035 0.000 1.006 133 I N 0.737 121.296 120.570 -0.018 0.000 2.648 133 I HA -0.022 4.148 4.170 0.001 0.000 0.284 133 I C 1.566 177.746 176.117 0.106 0.000 1.153 133 I CA 0.036 61.317 61.300 -0.031 0.000 1.426 133 I CB 0.216 38.080 38.000 -0.227 0.000 1.381 133 I HN 0.404 nan 8.210 nan 0.000 0.571 134 S N 4.650 120.430 115.700 0.133 0.000 2.560 134 S HA -0.039 4.432 4.470 0.001 0.000 0.276 134 S C 0.785 175.503 174.600 0.198 0.000 1.350 134 S CA -0.228 58.060 58.200 0.147 0.000 1.024 134 S CB 0.623 63.901 63.200 0.130 0.000 0.864 134 S HN 0.798 nan 8.310 nan 0.000 0.536 135 E N 0.930 121.204 120.200 0.123 0.000 2.481 135 E HA 0.073 4.423 4.350 0.001 0.000 0.198 135 E C 0.609 177.236 176.600 0.044 0.000 1.027 135 E CA -0.265 56.202 56.400 0.112 0.000 0.900 135 E CB -0.186 29.562 29.700 0.079 0.000 0.993 135 E HN 0.532 nan 8.360 nan 0.000 0.482 136 N N 1.994 120.692 118.700 -0.004 0.000 2.092 136 N HA -0.018 4.722 4.740 0.001 0.000 0.189 136 N C 1.572 176.970 175.510 -0.187 0.000 1.040 136 N CA 1.181 54.182 53.050 -0.081 0.000 0.845 136 N CB -0.027 38.406 38.487 -0.089 0.000 1.017 136 N HN 0.148 nan 8.380 nan 0.000 0.426 137 R N -1.575 118.689 120.500 -0.393 0.000 2.223 137 R HA 0.155 4.495 4.340 0.001 0.000 0.198 137 R C -0.206 175.636 176.300 -0.764 0.000 0.984 137 R CA 0.236 55.858 56.100 -0.796 0.000 1.018 137 R CB 0.290 29.755 30.300 -1.393 0.000 0.945 137 R HN 0.210 nan 8.270 nan 0.000 0.479 138 W N 0.767 122.117 121.300 0.083 0.000 2.587 138 W HA 0.500 5.161 4.660 0.001 0.000 0.324 138 W C -0.113 176.545 176.519 0.231 0.000 1.040 138 W CA -0.998 56.452 57.345 0.174 0.000 1.222 138 W CB 1.167 30.719 29.460 0.154 0.000 1.381 138 W HN -0.383 nan 8.180 nan 0.000 0.483 139 R N 1.953 122.693 120.500 0.401 0.000 2.621 139 R HA 0.425 4.766 4.340 0.001 0.000 0.284 139 R C -1.073 175.114 176.300 -0.187 0.000 0.998 139 R CA -1.232 54.881 56.100 0.021 0.000 0.895 139 R CB 2.135 32.469 30.300 0.057 0.000 1.195 139 R HN 0.468 nan 8.270 nan 0.000 0.450 140 V N 3.844 123.266 119.914 -0.819 0.000 2.637 140 V HA 0.152 4.273 4.120 0.001 0.000 0.296 140 V C -0.198 175.721 176.094 -0.293 0.000 1.046 140 V CA -0.435 61.520 62.300 -0.576 0.000 1.066 140 V CB 1.044 32.499 31.823 -0.613 0.000 0.968 140 V HN 0.572 nan 8.190 nan 0.000 0.483 141 L N 7.699 128.730 121.223 -0.320 0.000 2.276 141 L HA 0.533 4.874 4.340 0.001 0.000 0.286 141 L C -0.468 176.264 176.870 -0.230 0.000 1.061 141 L CA 0.311 54.936 54.840 -0.358 0.000 0.807 141 L CB 0.926 42.768 42.059 -0.361 0.000 1.177 141 L HN 0.602 nan 8.230 nan 0.000 0.429 142 L N 6.374 127.438 121.223 -0.265 0.000 2.352 142 L HA 0.485 4.826 4.340 0.001 0.000 0.269 142 L C -1.384 175.414 176.870 -0.120 0.000 1.034 142 L CA -1.854 52.854 54.840 -0.221 0.000 0.806 142 L CB 0.868 42.711 42.059 -0.360 0.000 1.244 142 L HN 0.444 nan 8.230 nan 0.000 0.447 143 P HA -0.203 nan 4.420 nan 0.000 0.219 143 P C 0.540 177.838 177.300 -0.004 0.000 1.144 143 P CA 1.234 64.316 63.100 -0.029 0.000 0.806 143 P CB 0.001 31.652 31.700 -0.082 0.000 0.771 144 D N -2.419 117.941 120.400 -0.067 0.000 2.340 144 D HA 0.078 4.719 4.640 0.001 0.000 0.220 144 D C 1.440 177.708 176.300 -0.054 0.000 1.039 144 D CA 0.678 54.648 54.000 -0.049 0.000 0.866 144 D CB -0.778 39.980 40.800 -0.070 0.000 0.913 144 D HN 0.220 nan 8.370 nan 0.000 0.523 145 G N 0.252 109.000 108.800 -0.087 0.000 2.175 145 G HA2 -0.272 3.689 3.960 0.001 0.000 0.244 145 G HA3 -0.272 3.689 3.960 0.001 0.000 0.244 145 G C 0.378 175.149 174.900 -0.215 0.000 0.982 145 G CA 0.418 45.454 45.100 -0.108 0.000 0.641 145 G HN 0.827 nan 8.290 nan 0.000 0.527 146 S N -0.366 115.203 115.700 -0.218 0.000 2.617 146 S HA 0.674 5.144 4.470 0.001 0.000 0.269 146 S C -0.263 174.105 174.600 -0.387 0.000 1.292 146 S CA -0.356 57.720 58.200 -0.207 0.000 1.010 146 S CB 1.223 64.349 63.200 -0.124 0.000 0.944 146 S HN 0.449 nan 8.310 nan 0.000 0.536 147 H N -0.231 118.791 119.070 -0.080 0.000 2.511 147 H HA 0.628 5.184 4.556 0.001 0.000 0.328 147 H C 0.058 175.315 175.328 -0.119 0.000 1.044 147 H CA -0.610 55.375 56.048 -0.105 0.000 1.212 147 H CB 1.493 31.221 29.762 -0.057 0.000 1.428 147 H HN 0.718 nan 8.280 nan 0.000 0.483 148 V N -0.147 119.715 119.914 -0.087 0.000 3.126 148 V HA 0.541 4.661 4.120 0.001 0.000 0.314 148 V C -0.028 175.996 176.094 -0.116 0.000 1.138 148 V CA -1.420 60.827 62.300 -0.089 0.000 1.034 148 V CB 1.915 33.667 31.823 -0.118 0.000 1.075 148 V HN 0.576 nan 8.190 nan 0.000 0.442 149 K N 0.856 121.231 120.400 -0.042 0.000 2.414 149 K HA 0.306 4.626 4.320 0.001 0.000 0.272 149 K C -1.109 175.473 176.600 -0.030 0.000 0.993 149 K CA 0.075 56.356 56.287 -0.009 0.000 0.964 149 K CB 0.199 32.729 32.500 0.049 0.000 0.925 149 K HN 0.657 nan 8.250 nan 0.000 0.487 150 Y N 3.035 123.397 120.300 0.103 0.000 2.442 150 Y HA 0.063 4.614 4.550 0.001 0.000 0.330 150 Y C -1.441 174.481 175.900 0.037 0.000 1.129 150 Y CA -1.587 56.563 58.100 0.083 0.000 1.365 150 Y CB -0.039 38.460 38.460 0.066 0.000 1.233 150 Y HN 0.520 nan 8.280 nan 0.000 0.529 151 P HA 0.093 nan 4.420 nan 0.000 0.277 151 P C -1.025 176.299 177.300 0.039 0.000 1.276 151 P CA -0.767 62.350 63.100 0.028 0.000 0.788 151 P CB 0.863 32.512 31.700 -0.086 0.000 1.114 152 K N 1.399 121.800 120.400 0.001 0.000 2.349 152 K HA 0.209 4.530 4.320 0.001 0.000 0.289 152 K C -1.860 174.728 176.600 -0.020 0.000 1.064 152 K CA -1.493 54.789 56.287 -0.008 0.000 0.947 152 K CB -0.071 32.419 32.500 -0.017 0.000 1.007 152 K HN 0.349 nan 8.250 nan 0.000 0.478 153 P HA 0.170 nan 4.420 nan 0.000 0.278 153 P C -1.276 175.998 177.300 -0.043 0.000 1.266 153 P CA -0.573 62.509 63.100 -0.031 0.000 0.807 153 P CB 0.850 32.526 31.700 -0.041 0.000 1.094 154 R N 0.586 121.060 120.500 -0.044 0.000 2.255 154 R HA 0.575 4.916 4.340 0.001 0.000 0.326 154 R C -0.310 175.948 176.300 -0.070 0.000 0.986 154 R CA -0.630 55.441 56.100 -0.049 0.000 0.847 154 R CB 0.669 30.946 30.300 -0.038 0.000 1.111 154 R HN 0.579 nan 8.270 nan 0.000 0.452 155 A N 5.269 128.039 122.820 -0.083 0.000 2.462 155 A HA 0.221 4.541 4.320 0.001 0.000 0.243 155 A C -0.030 177.502 177.584 -0.088 0.000 1.076 155 A CA -0.300 51.670 52.037 -0.112 0.000 0.773 155 A CB 0.284 19.217 19.000 -0.112 0.000 1.010 155 A HN 0.752 nan 8.150 nan 0.000 0.493 156 L N 2.139 123.301 121.223 -0.101 0.000 2.395 156 L HA 0.220 4.560 4.340 0.001 0.000 0.269 156 L C 0.509 177.345 176.870 -0.056 0.000 1.133 156 L CA -0.593 54.203 54.840 -0.073 0.000 0.812 156 L CB 0.567 42.577 42.059 -0.081 0.000 1.125 156 L HN 0.662 nan 8.230 nan 0.000 0.452 157 E N 1.204 121.381 120.200 -0.037 0.000 2.390 157 E HA 0.079 4.429 4.350 0.001 0.000 0.261 157 E C 0.698 177.287 176.600 -0.019 0.000 1.076 157 E CA 0.124 56.515 56.400 -0.014 0.000 0.905 157 E CB 1.123 30.821 29.700 -0.003 0.000 0.984 157 E HN 0.690 nan 8.360 nan 0.000 0.427 158 A N 2.434 125.271 122.820 0.030 0.000 1.908 158 A HA -0.219 4.101 4.320 0.001 0.000 0.218 158 A C 2.068 179.689 177.584 0.061 0.000 1.181 158 A CA 2.202 54.287 52.037 0.079 0.000 0.627 158 A CB -0.683 18.438 19.000 0.201 0.000 0.818 158 A HN 0.609 nan 8.150 nan 0.000 0.445 159 S N -0.099 115.631 115.700 0.050 0.000 2.442 159 S HA -0.174 4.296 4.470 0.001 0.000 0.236 159 S C 1.478 176.092 174.600 0.022 0.000 1.007 159 S CA 1.399 59.624 58.200 0.041 0.000 0.965 159 S CB -0.371 62.848 63.200 0.032 0.000 0.773 159 S HN 0.717 nan 8.310 nan 0.000 0.504 160 E N 0.707 120.907 120.200 -0.000 0.000 2.230 160 E HA 0.134 4.484 4.350 0.001 0.000 0.192 160 E C 1.753 178.346 176.600 -0.012 0.000 0.987 160 E CA 0.496 56.891 56.400 -0.009 0.000 0.841 160 E CB -0.234 29.452 29.700 -0.023 0.000 0.783 160 E HN 0.545 nan 8.360 nan 0.000 0.481 161 I N 1.357 121.901 120.570 -0.042 0.000 2.179 161 I HA -0.199 3.971 4.170 0.001 0.000 0.242 161 I C -0.900 175.246 176.117 0.049 0.000 1.088 161 I CA 1.051 62.324 61.300 -0.045 0.000 1.357 161 I CB -0.947 36.911 38.000 -0.236 0.000 1.051 161 I HN 0.043 nan 8.210 nan 0.000 0.409 162 P HA -0.167 nan 4.420 nan 0.000 0.218 162 P C 1.384 178.717 177.300 0.055 0.000 1.146 162 P CA 1.481 64.617 63.100 0.060 0.000 0.813 162 P CB -0.043 31.690 31.700 0.055 0.000 0.778 163 R N -0.989 119.541 120.500 0.049 0.000 2.073 163 R HA -0.023 4.317 4.340 0.001 0.000 0.229 163 R C 2.059 178.400 176.300 0.068 0.000 1.120 163 R CA 0.987 57.115 56.100 0.047 0.000 0.967 163 R CB -1.020 29.298 30.300 0.030 0.000 0.862 163 R HN 0.072 nan 8.270 nan 0.000 0.436 164 V N 0.373 120.341 119.914 0.089 0.000 2.515 164 V HA -0.173 3.947 4.120 0.001 0.000 0.250 164 V C 2.154 178.398 176.094 0.249 0.000 1.058 164 V CA 1.336 63.725 62.300 0.148 0.000 1.064 164 V CB -0.228 31.691 31.823 0.160 0.000 0.675 164 V HN 0.124 nan 8.190 nan 0.000 0.461 165 V N 0.061 120.081 119.914 0.177 0.000 2.427 165 V HA -0.208 3.912 4.120 0.001 0.000 0.248 165 V C 2.554 178.732 176.094 0.139 0.000 1.051 165 V CA 2.038 64.415 62.300 0.128 0.000 1.048 165 V CB -0.483 31.345 31.823 0.009 0.000 0.666 165 V HN 0.577 nan 8.190 nan 0.000 0.456 166 E N 0.556 120.815 120.200 0.097 0.000 2.150 166 E HA -0.212 4.139 4.350 0.001 0.000 0.193 166 E C 1.751 178.397 176.600 0.077 0.000 0.985 166 E CA 1.294 57.738 56.400 0.073 0.000 0.814 166 E CB -0.307 29.424 29.700 0.051 0.000 0.752 166 E HN 0.559 nan 8.360 nan 0.000 0.466 167 D N -0.795 119.651 120.400 0.076 0.000 2.149 167 D HA -0.175 4.466 4.640 0.001 0.000 0.198 167 D C 1.535 177.829 176.300 -0.009 0.000 0.990 167 D CA 1.029 55.040 54.000 0.017 0.000 0.839 167 D CB -0.327 40.458 40.800 -0.026 0.000 0.948 167 D HN 0.342 nan 8.370 nan 0.000 0.460 168 Y N 0.431 120.747 120.300 0.026 0.000 2.200 168 Y HA -0.168 4.383 4.550 0.001 0.000 0.290 168 Y C 2.707 178.601 175.900 -0.010 0.000 1.137 168 Y CA 0.669 58.773 58.100 0.007 0.000 1.163 168 Y CB -0.470 37.970 38.460 -0.033 0.000 0.988 168 Y HN 0.049 nan 8.280 nan 0.000 0.518 169 C N -0.105 119.279 119.300 0.141 0.000 2.413 169 C HA -0.201 4.260 4.460 0.001 0.000 0.277 169 C C 2.734 177.752 174.990 0.048 0.000 1.228 169 C CA 1.013 60.072 59.018 0.070 0.000 1.731 169 C CB -1.411 26.359 27.740 0.050 0.000 2.042 169 C HN 0.500 nan 8.230 nan 0.000 0.468 170 L N 0.869 122.121 121.223 0.049 0.000 2.042 170 L HA -0.181 4.160 4.340 0.001 0.000 0.210 170 L C 2.647 179.542 176.870 0.041 0.000 1.076 170 L CA 1.617 56.484 54.840 0.046 0.000 0.749 170 L CB -0.760 41.332 42.059 0.056 0.000 0.893 170 L HN 0.355 nan 8.230 nan 0.000 0.432 171 S N -0.080 115.639 115.700 0.033 0.000 2.368 171 S HA -0.159 4.311 4.470 0.001 0.000 0.225 171 S C 2.223 176.804 174.600 -0.032 0.000 1.030 171 S CA 1.197 59.403 58.200 0.009 0.000 0.999 171 S CB -0.328 62.861 63.200 -0.019 0.000 0.844 171 S HN 0.506 nan 8.310 nan 0.000 0.459 172 A N 1.385 124.193 122.820 -0.020 0.000 1.902 172 A HA 0.014 4.335 4.320 0.001 0.000 0.217 172 A C 2.132 179.692 177.584 -0.040 0.000 1.181 172 A CA 1.122 53.127 52.037 -0.054 0.000 0.623 172 A CB -0.728 18.256 19.000 -0.028 0.000 0.818 172 A HN 0.438 nan 8.150 nan 0.000 0.443 173 L N -0.325 120.894 121.223 -0.006 0.000 2.093 173 L HA -0.192 4.148 4.340 0.001 0.000 0.208 173 L C 2.297 179.178 176.870 0.018 0.000 1.085 173 L CA 1.122 55.967 54.840 0.008 0.000 0.755 173 L CB -0.546 41.524 42.059 0.019 0.000 0.904 173 L HN 0.350 nan 8.230 nan 0.000 0.435 174 N N 0.201 118.914 118.700 0.022 0.000 2.142 174 N HA -0.140 4.601 4.740 0.001 0.000 0.186 174 N C 1.886 177.425 175.510 0.049 0.000 1.023 174 N CA 1.485 54.559 53.050 0.041 0.000 0.852 174 N CB -0.379 38.138 38.487 0.050 0.000 0.998 174 N HN 0.299 nan 8.380 nan 0.000 0.424 175 A N 1.605 124.419 122.820 -0.009 0.000 1.865 175 A HA -0.137 4.183 4.320 0.001 0.000 0.217 175 A C 2.103 179.783 177.584 0.160 0.000 1.191 175 A CA 1.141 53.181 52.037 0.005 0.000 0.623 175 A CB -0.595 18.214 19.000 -0.319 0.000 0.826 175 A HN 0.139 nan 8.150 nan 0.000 0.444 176 I N -0.453 120.149 120.570 0.055 0.000 2.179 176 I HA -0.201 3.969 4.170 0.001 0.000 0.242 176 I C 2.524 178.683 176.117 0.071 0.000 1.088 176 I CA 1.870 63.209 61.300 0.066 0.000 1.357 176 I CB -1.285 36.733 38.000 0.030 0.000 1.051 176 I HN 0.445 nan 8.210 nan 0.000 0.409 177 R N 1.084 121.619 120.500 0.060 0.000 2.159 177 R HA -0.115 4.225 4.340 0.001 0.000 0.237 177 R C 2.032 178.367 176.300 0.058 0.000 1.131 177 R CA 1.459 57.591 56.100 0.054 0.000 0.982 177 R CB -0.056 30.274 30.300 0.049 0.000 0.868 177 R HN 0.337 nan 8.270 nan 0.000 0.453 178 A N -1.012 121.856 122.820 0.080 0.000 2.208 178 A HA 0.241 4.561 4.320 0.001 0.000 0.209 178 A C 1.403 178.951 177.584 -0.060 0.000 1.161 178 A CA 0.774 52.844 52.037 0.055 0.000 0.782 178 A CB 0.082 19.167 19.000 0.141 0.000 0.816 178 A HN 0.559 nan 8.150 nan 0.000 0.477 179 G N -2.066 106.720 108.800 -0.024 0.000 2.218 179 G HA2 -0.193 3.767 3.960 0.001 0.000 0.216 179 G HA3 -0.193 3.767 3.960 0.001 0.000 0.216 179 G C 0.079 174.963 174.900 -0.026 0.000 0.994 179 G CA -0.185 44.892 45.100 -0.038 0.000 0.637 179 G HN 0.264 nan 8.290 nan 0.000 0.505 180 F N 2.153 122.060 119.950 -0.073 0.000 2.628 180 F HA 0.227 4.755 4.527 0.001 0.000 0.362 180 F C 1.629 177.406 175.800 -0.038 0.000 1.148 180 F CA 0.935 58.860 58.000 -0.125 0.000 1.352 180 F CB 0.553 39.387 39.000 -0.277 0.000 1.081 180 F HN 0.005 nan 8.300 nan 0.000 0.605 181 D N 0.981 121.507 120.400 0.210 0.000 2.317 181 D HA 0.165 4.805 4.640 0.001 0.000 0.211 181 D C 1.084 177.316 176.300 -0.113 0.000 0.966 181 D CA 1.096 55.202 54.000 0.177 0.000 0.876 181 D CB 0.291 41.197 40.800 0.176 0.000 0.927 181 D HN 0.654 nan 8.370 nan 0.000 0.519 182 G N 0.214 108.596 108.800 -0.695 0.000 2.335 182 G HA2 0.406 4.367 3.960 0.001 0.000 0.291 182 G HA3 0.406 4.367 3.960 0.001 0.000 0.291 182 G C -1.870 172.297 174.900 -1.222 0.000 1.261 182 G CA -0.499 43.835 45.100 -1.277 0.000 0.871 182 G HN 0.099 nan 8.290 nan 0.000 0.491 183 I N -2.496 117.524 120.570 -0.917 0.000 2.865 183 I HA 0.882 5.053 4.170 0.001 0.000 0.302 183 I C -0.779 175.343 176.117 0.008 0.000 1.140 183 I CA -1.229 59.845 61.300 -0.377 0.000 1.021 183 I CB 2.520 40.363 38.000 -0.261 0.000 1.233 183 I HN 0.695 nan 8.210 nan 0.000 0.427 184 E N 4.466 124.726 120.200 0.100 0.000 2.187 184 E HA 0.481 4.831 4.350 0.001 0.000 0.268 184 E C -1.287 175.356 176.600 0.071 0.000 0.896 184 E CA -0.843 55.640 56.400 0.138 0.000 0.766 184 E CB 1.408 31.262 29.700 0.257 0.000 1.142 184 E HN 0.617 nan 8.360 nan 0.000 0.408 185 I N 4.620 125.213 120.570 0.038 0.000 2.379 185 I HA 0.031 4.201 4.170 0.001 0.000 0.290 185 I C 0.240 176.419 176.117 0.103 0.000 1.063 185 I CA -0.221 61.118 61.300 0.065 0.000 1.351 185 I CB 0.134 38.102 38.000 -0.053 0.000 1.410 185 I HN 0.610 nan 8.210 nan 0.000 0.505 186 H N 6.385 125.501 119.070 0.076 0.000 3.109 186 H HA 0.302 4.859 4.556 0.001 0.000 0.266 186 H C 0.833 176.226 175.328 0.108 0.000 1.334 186 H CA -0.361 55.707 56.048 0.034 0.000 1.456 186 H CB 0.271 30.035 29.762 0.004 0.000 1.587 186 H HN 0.698 nan 8.280 nan 0.000 0.500 187 G N 3.070 112.026 108.800 0.260 0.000 3.936 187 G HA2 0.499 4.460 3.960 0.001 0.000 0.296 187 G HA3 0.499 4.460 3.960 0.001 0.000 0.296 187 G C 0.088 175.076 174.900 0.147 0.000 1.121 187 G CA 0.326 45.535 45.100 0.182 0.000 0.899 187 G HN 0.709 nan 8.290 nan 0.000 0.542 188 A N -0.801 122.151 122.820 0.219 0.000 2.389 188 A HA 0.722 5.043 4.320 0.001 0.000 0.293 188 A C 0.557 178.207 177.584 0.111 0.000 1.186 188 A CA -0.579 51.431 52.037 -0.044 0.000 0.828 188 A CB 0.316 18.967 19.000 -0.581 0.000 1.369 188 A HN 0.702 nan 8.150 nan 0.000 0.446 189 H N -1.172 118.004 119.070 0.175 0.000 2.921 189 H HA -0.198 4.359 4.556 0.001 0.000 0.281 189 H C 1.179 176.398 175.328 -0.182 0.000 1.165 189 H CA 1.250 57.348 56.048 0.082 0.000 1.151 189 H CB -1.514 28.384 29.762 0.227 0.000 1.311 189 H HN 2.260 nan 8.280 nan 0.000 0.361 190 G N -1.740 107.011 108.800 -0.082 0.000 2.143 190 G HA2 -0.359 3.601 3.960 0.001 0.000 0.248 190 G HA3 -0.359 3.601 3.960 0.001 0.000 0.248 190 G C -0.007 174.695 174.900 -0.330 0.000 0.991 190 G CA 0.459 45.410 45.100 -0.249 0.000 0.689 190 G HN 0.531 nan 8.290 nan 0.000 0.522 191 Y N -1.259 119.115 120.300 0.123 0.000 2.344 191 Y HA 0.563 5.113 4.550 0.000 0.000 0.330 191 Y C 1.781 177.773 175.900 0.152 0.000 1.330 191 Y CA -0.570 57.614 58.100 0.140 0.000 1.479 191 Y CB -0.113 38.478 38.460 0.219 0.000 1.428 191 Y HN 0.062 nan 8.280 nan 0.000 0.544 192 L N 0.878 122.332 121.223 0.384 0.000 2.026 192 L HA -0.327 4.014 4.340 0.001 0.000 0.231 192 L C 1.863 178.965 176.870 0.386 0.000 1.095 192 L CA 2.017 57.038 54.840 0.301 0.000 0.810 192 L CB -1.008 41.214 42.059 0.272 0.000 0.909 192 L HN 0.745 nan 8.230 nan 0.000 0.444 193 I N -0.809 120.056 120.570 0.491 0.000 2.163 193 I HA -0.318 3.852 4.170 0.001 0.000 0.243 193 I C 2.250 178.598 176.117 0.386 0.000 1.085 193 I CA 1.792 63.411 61.300 0.532 0.000 1.347 193 I CB -0.637 37.551 38.000 0.314 0.000 1.044 193 I HN 0.387 nan 8.210 nan 0.000 0.408 194 D N 0.614 121.167 120.400 0.255 0.000 2.221 194 D HA -0.198 4.442 4.640 0.001 0.000 0.204 194 D C 2.186 178.553 176.300 0.112 0.000 0.982 194 D CA 1.212 55.306 54.000 0.156 0.000 0.857 194 D CB -0.016 40.843 40.800 0.098 0.000 0.934 194 D HN 0.373 nan 8.370 nan 0.000 0.475 195 Q N -1.528 118.330 119.800 0.097 0.000 2.364 195 Q HA -0.054 4.286 4.340 0.001 0.000 0.207 195 Q C 1.385 177.312 176.000 -0.121 0.000 0.970 195 Q CA 0.628 56.405 55.803 -0.044 0.000 0.888 195 Q CB 0.027 28.700 28.738 -0.108 0.000 0.951 195 Q HN 0.365 nan 8.270 nan 0.000 0.469 196 F N -0.722 119.221 119.950 -0.013 0.000 2.374 196 F HA 0.046 4.572 4.527 -0.003 0.000 0.291 196 F C 1.674 177.511 175.800 0.061 0.000 1.084 196 F CA 0.412 58.418 58.000 0.009 0.000 1.413 196 F CB 0.170 39.197 39.000 0.045 0.000 1.099 196 F HN -0.037 nan 8.300 nan 0.000 0.534 197 L N -0.372 121.009 121.223 0.263 0.000 2.056 197 L HA -0.102 4.238 4.340 0.001 0.000 0.207 197 L C 0.802 177.731 176.870 0.099 0.000 1.078 197 L CA 1.006 55.948 54.840 0.169 0.000 0.749 197 L CB -0.408 41.736 42.059 0.142 0.000 0.901 197 L HN -0.171 nan 8.230 nan 0.000 0.433 198 K N 1.391 121.831 120.400 0.066 0.000 2.276 198 K HA 0.027 4.347 4.320 0.001 0.000 0.283 198 K C 0.310 176.918 176.600 0.013 0.000 1.044 198 K CA -0.073 56.234 56.287 0.033 0.000 0.944 198 K CB 1.258 33.766 32.500 0.013 0.000 1.012 198 K HN 0.100 nan 8.250 nan 0.000 0.472 199 D N 1.510 121.920 120.400 0.017 0.000 2.347 199 D HA -0.071 4.570 4.640 0.001 0.000 0.215 199 D C 1.263 177.559 176.300 -0.007 0.000 0.976 199 D CA 0.513 54.517 54.000 0.006 0.000 0.884 199 D CB -0.118 40.691 40.800 0.015 0.000 0.915 199 D HN 0.645 nan 8.370 nan 0.000 0.526 200 G N -0.112 108.685 108.800 -0.006 0.000 2.744 200 G HA2 0.096 4.057 3.960 0.001 0.000 0.211 200 G HA3 0.096 4.057 3.960 0.001 0.000 0.211 200 G C 1.419 176.299 174.900 -0.034 0.000 1.143 200 G CA 0.296 45.389 45.100 -0.012 0.000 0.788 200 G HN 0.385 nan 8.290 nan 0.000 0.534 201 I N -1.027 119.512 120.570 -0.052 0.000 3.739 201 I HA 0.135 4.305 4.170 0.001 0.000 0.272 201 I C 0.456 176.506 176.117 -0.113 0.000 1.167 201 I CA -0.348 60.898 61.300 -0.089 0.000 1.386 201 I CB 0.122 38.053 38.000 -0.114 0.000 1.490 201 I HN -0.104 nan 8.210 nan 0.000 0.452 202 N N 3.397 122.031 118.700 -0.110 0.000 2.400 202 N HA -0.047 4.693 4.740 0.001 0.000 0.278 202 N C -0.554 174.905 175.510 -0.085 0.000 1.247 202 N CA 0.293 53.260 53.050 -0.138 0.000 0.970 202 N CB 0.009 38.438 38.487 -0.096 0.000 1.312 202 N HN 0.258 nan 8.380 nan 0.000 0.488 203 D N 1.978 122.320 120.400 -0.097 0.000 2.895 203 D HA 0.102 4.742 4.640 0.001 0.000 0.258 203 D C 0.010 176.278 176.300 -0.052 0.000 1.311 203 D CA -0.296 53.668 54.000 -0.060 0.000 0.843 203 D CB -0.176 40.590 40.800 -0.056 0.000 1.055 203 D HN 0.266 nan 8.370 nan 0.000 0.486 204 R N -0.556 119.917 120.500 -0.046 0.000 2.490 204 R HA 0.346 4.686 4.340 0.001 0.000 0.278 204 R C 0.734 177.041 176.300 0.013 0.000 1.069 204 R CA -0.189 55.900 56.100 -0.018 0.000 1.080 204 R CB 1.029 31.334 30.300 0.009 0.000 1.030 204 R HN 0.040 nan 8.270 nan 0.000 0.491 205 T N 0.121 114.686 114.554 0.019 0.000 3.009 205 T HA -0.077 4.273 4.350 0.001 0.000 0.258 205 T C 0.477 175.201 174.700 0.040 0.000 1.063 205 T CA 0.685 62.799 62.100 0.023 0.000 1.139 205 T CB -0.106 68.772 68.868 0.016 0.000 0.890 205 T HN 0.701 nan 8.240 nan 0.000 0.471 206 D N 1.634 122.075 120.400 0.069 0.000 2.453 206 D HA -0.004 4.636 4.640 0.001 0.000 0.282 206 D C 1.523 177.869 176.300 0.076 0.000 1.222 206 D CA -0.459 53.592 54.000 0.085 0.000 1.079 206 D CB 0.071 40.950 40.800 0.133 0.000 1.128 206 D HN 0.089 nan 8.370 nan 0.000 0.568 207 Q N -0.950 118.874 119.800 0.039 0.000 2.515 207 Q HA -0.133 4.207 4.340 0.001 0.000 0.212 207 Q C 0.393 176.298 176.000 -0.157 0.000 0.970 207 Q CA 0.970 56.723 55.803 -0.084 0.000 0.941 207 Q CB -0.563 28.073 28.738 -0.170 0.000 0.998 207 Q HN 0.619 nan 8.270 nan 0.000 0.518 208 Y N 0.393 120.756 120.300 0.106 0.000 2.524 208 Y HA 0.498 5.051 4.550 0.005 0.000 0.266 208 Y C 1.041 177.050 175.900 0.182 0.000 1.180 208 Y CA 0.156 58.368 58.100 0.187 0.000 1.244 208 Y CB 0.970 39.614 38.460 0.306 0.000 1.125 208 Y HN 0.203 nan 8.280 nan 0.000 0.524 209 G N -2.239 106.675 108.800 0.191 0.000 2.682 209 G HA2 0.513 4.473 3.960 0.001 0.000 0.290 209 G HA3 0.513 4.473 3.960 0.001 0.000 0.290 209 G C 0.096 175.034 174.900 0.064 0.000 1.425 209 G CA -0.138 45.031 45.100 0.115 0.000 0.807 209 G HN 0.349 nan 8.290 nan 0.000 0.482 210 G N -0.057 108.769 108.800 0.044 0.000 3.076 210 G HA2 0.054 4.015 3.960 0.001 0.000 0.256 210 G HA3 0.054 4.015 3.960 0.001 0.000 0.256 210 G C 1.029 175.947 174.900 0.030 0.000 1.589 210 G CA 0.743 45.860 45.100 0.029 0.000 1.044 210 G HN 2.381 nan 8.290 nan 0.000 0.563 211 S N 1.186 116.901 115.700 0.026 0.000 2.573 211 S HA 0.479 4.949 4.470 0.001 0.000 0.277 211 S C 1.684 176.304 174.600 0.033 0.000 1.346 211 S CA 0.280 58.494 58.200 0.024 0.000 1.034 211 S CB 0.950 64.159 63.200 0.015 0.000 0.879 211 S HN 0.857 nan 8.310 nan 0.000 0.528 212 I N 1.660 122.249 120.570 0.032 0.000 2.264 212 I HA -0.214 3.956 4.170 0.001 0.000 0.248 212 I C 2.829 178.971 176.117 0.041 0.000 1.111 212 I CA 1.594 62.918 61.300 0.040 0.000 1.382 212 I CB -0.993 37.029 38.000 0.036 0.000 1.060 212 I HN 0.864 nan 8.210 nan 0.000 0.418 213 A N 1.030 123.867 122.820 0.027 0.000 1.902 213 A HA -0.226 4.094 4.320 0.001 0.000 0.217 213 A C 2.065 179.659 177.584 0.016 0.000 1.181 213 A CA 2.036 54.083 52.037 0.018 0.000 0.623 213 A CB -0.657 18.345 19.000 0.004 0.000 0.818 213 A HN 0.397 nan 8.150 nan 0.000 0.443 214 N N -0.245 118.466 118.700 0.019 0.000 2.188 214 N HA -0.093 4.647 4.740 0.001 0.000 0.184 214 N C 1.768 177.337 175.510 0.098 0.000 1.018 214 N CA 1.085 54.147 53.050 0.020 0.000 0.858 214 N CB -0.371 38.129 38.487 0.020 0.000 0.989 214 N HN 0.507 nan 8.380 nan 0.000 0.426 215 R N -0.452 120.119 120.500 0.119 0.000 2.148 215 R HA 0.079 4.420 4.340 0.001 0.000 0.227 215 R C 1.715 178.139 176.300 0.206 0.000 1.103 215 R CA 0.692 56.904 56.100 0.187 0.000 0.983 215 R CB -0.320 30.061 30.300 0.134 0.000 0.874 215 R HN 0.276 nan 8.270 nan 0.000 0.451 216 C N -0.066 119.310 119.300 0.127 0.000 2.514 216 C HA 0.102 4.563 4.460 0.001 0.000 0.271 216 C C 2.498 177.535 174.990 0.078 0.000 1.399 216 C CA -0.267 58.808 59.018 0.095 0.000 1.765 216 C CB -0.823 26.947 27.740 0.050 0.000 1.893 216 C HN 0.451 nan 8.230 nan 0.000 0.531 217 R N 0.370 120.919 120.500 0.080 0.000 2.117 217 R HA -0.199 4.141 4.340 0.001 0.000 0.243 217 R C 2.018 178.382 176.300 0.108 0.000 1.143 217 R CA 1.731 57.844 56.100 0.021 0.000 0.968 217 R CB -0.434 29.779 30.300 -0.145 0.000 0.863 217 R HN 0.526 nan 8.270 nan 0.000 0.444 218 F N 0.943 120.905 119.950 0.020 0.000 2.084 218 F HA -0.189 4.338 4.527 -0.001 0.000 0.296 218 F C 1.905 177.589 175.800 -0.192 0.000 1.111 218 F CA 1.345 59.241 58.000 -0.174 0.000 1.224 218 F CB -0.738 37.814 39.000 -0.746 0.000 0.991 218 F HN 0.053 nan 8.300 nan 0.000 0.471 219 L N 1.237 122.301 121.223 -0.266 0.000 2.012 219 L HA -0.220 4.120 4.340 0.001 0.000 0.210 219 L C 2.483 179.180 176.870 -0.288 0.000 1.073 219 L CA 2.310 56.944 54.840 -0.344 0.000 0.748 219 L CB -1.198 40.788 42.059 -0.121 0.000 0.891 219 L HN 0.275 nan 8.230 nan 0.000 0.431 220 K N -0.911 119.395 120.400 -0.156 0.000 2.034 220 K HA -0.291 4.029 4.320 0.001 0.000 0.214 220 K C 2.113 178.624 176.600 -0.149 0.000 1.051 220 K CA 2.406 58.624 56.287 -0.116 0.000 0.931 220 K CB -0.234 32.228 32.500 -0.063 0.000 0.715 220 K HN 0.561 nan 8.250 nan 0.000 0.446 221 Q N -0.166 119.535 119.800 -0.164 0.000 2.050 221 Q HA -0.142 4.198 4.340 0.001 0.000 0.202 221 Q C 2.178 178.032 176.000 -0.242 0.000 0.980 221 Q CA 1.709 57.419 55.803 -0.155 0.000 0.840 221 Q CB -0.032 28.654 28.738 -0.087 0.000 0.898 221 Q HN 0.164 nan 8.270 nan 0.000 0.424 222 V N 0.329 119.978 119.914 -0.441 0.000 2.287 222 V HA -0.254 3.867 4.120 0.001 0.000 0.248 222 V C 2.249 178.138 176.094 -0.343 0.000 1.053 222 V CA 1.610 63.587 62.300 -0.540 0.000 1.027 222 V CB -0.542 30.688 31.823 -0.989 0.000 0.646 222 V HN 0.201 nan 8.190 nan 0.000 0.447 223 V N -0.350 119.392 119.914 -0.286 0.000 2.343 223 V HA -0.280 3.841 4.120 0.001 0.000 0.247 223 V C 2.400 178.422 176.094 -0.120 0.000 1.051 223 V CA 2.113 64.306 62.300 -0.177 0.000 1.036 223 V CB -0.658 31.081 31.823 -0.141 0.000 0.654 223 V HN 0.605 nan 8.190 nan 0.000 0.451 224 E N 0.234 120.366 120.200 -0.114 0.000 2.051 224 E HA -0.164 4.187 4.350 0.001 0.000 0.192 224 E C 2.344 178.907 176.600 -0.062 0.000 0.991 224 E CA 1.329 57.684 56.400 -0.074 0.000 0.799 224 E CB -0.535 29.126 29.700 -0.065 0.000 0.748 224 E HN 0.636 nan 8.360 nan 0.000 0.449 225 G N 0.562 109.318 108.800 -0.074 0.000 2.418 225 G HA2 -0.232 3.729 3.960 0.001 0.000 0.217 225 G HA3 -0.232 3.729 3.960 0.001 0.000 0.217 225 G C 1.718 176.599 174.900 -0.032 0.000 1.158 225 G CA 0.741 45.814 45.100 -0.045 0.000 0.771 225 G HN 0.127 nan 8.290 nan 0.000 0.545 226 V N 0.396 120.281 119.914 -0.047 0.000 2.307 226 V HA -0.157 3.963 4.120 0.001 0.000 0.245 226 V C 3.031 179.105 176.094 -0.033 0.000 1.045 226 V CA 1.425 63.706 62.300 -0.031 0.000 1.024 226 V CB -0.320 31.478 31.823 -0.041 0.000 0.651 226 V HN 0.238 nan 8.190 nan 0.000 0.449 227 V N -0.160 119.730 119.914 -0.040 0.000 2.332 227 V HA -0.267 3.853 4.120 0.001 0.000 0.248 227 V C 2.590 178.672 176.094 -0.021 0.000 1.055 227 V CA 2.390 64.673 62.300 -0.029 0.000 1.038 227 V CB -0.683 31.122 31.823 -0.030 0.000 0.651 227 V HN 0.564 nan 8.190 nan 0.000 0.450 228 S N -0.004 115.683 115.700 -0.021 0.000 2.370 228 S HA -0.224 4.247 4.470 0.001 0.000 0.226 228 S C 2.172 176.767 174.600 -0.009 0.000 1.033 228 S CA 1.574 59.766 58.200 -0.014 0.000 1.011 228 S CB -0.481 62.711 63.200 -0.013 0.000 0.852 228 S HN 0.681 nan 8.310 nan 0.000 0.457 229 A N 1.347 124.162 122.820 -0.008 0.000 1.873 229 A HA 0.058 4.378 4.320 0.001 0.000 0.215 229 A C 2.028 179.609 177.584 -0.004 0.000 1.186 229 A CA 1.517 53.553 52.037 -0.003 0.000 0.616 229 A CB -0.455 18.546 19.000 0.001 0.000 0.823 229 A HN 0.677 nan 8.150 nan 0.000 0.442 230 I N -5.498 115.066 120.570 -0.011 0.000 4.240 230 I HA 0.570 4.740 4.170 0.001 0.000 0.331 230 I C 0.648 176.761 176.117 -0.006 0.000 1.381 230 I CA 0.199 61.493 61.300 -0.010 0.000 1.136 230 I CB 0.431 38.416 38.000 -0.025 0.000 1.137 230 I HN 0.524 nan 8.210 nan 0.000 0.411 231 G N 1.472 110.267 108.800 -0.007 0.000 2.895 231 G HA2 0.024 3.985 3.960 0.001 0.000 0.686 231 G HA3 0.024 3.985 3.960 0.001 0.000 0.686 231 G C 0.481 175.381 174.900 0.000 0.000 1.108 231 G CA -0.326 44.771 45.100 -0.004 0.000 0.761 231 G HN 0.587 nan 8.290 nan 0.000 0.611 232 A N 1.579 124.399 122.820 -0.000 0.000 1.940 232 A HA 0.074 4.394 4.320 0.001 0.000 0.219 232 A C 2.809 180.412 177.584 0.032 0.000 1.176 232 A CA 3.012 55.053 52.037 0.008 0.000 0.631 232 A CB -0.764 18.239 19.000 0.005 0.000 0.814 232 A HN 2.368 nan 8.150 nan 0.000 0.446 233 S N -0.217 115.501 115.700 0.030 0.000 2.465 233 S HA -0.117 4.353 4.470 0.001 0.000 0.241 233 S C 1.203 175.906 174.600 0.172 0.000 1.000 233 S CA 1.452 59.681 58.200 0.049 0.000 0.964 233 S CB -0.274 62.909 63.200 -0.029 0.000 0.763 233 S HN 0.672 nan 8.310 nan 0.000 0.512 234 K N 0.779 121.271 120.400 0.155 0.000 2.455 234 K HA 0.373 4.693 4.320 0.001 0.000 0.206 234 K C -0.968 175.658 176.600 0.045 0.000 1.027 234 K CA -0.111 56.290 56.287 0.189 0.000 1.113 234 K CB 1.111 33.646 32.500 0.059 0.000 0.850 234 K HN 0.185 nan 8.250 nan 0.000 0.503 235 V N 0.851 120.837 119.914 0.120 0.000 2.487 235 V HA 0.517 4.637 4.120 0.001 0.000 0.298 235 V C 0.225 176.300 176.094 -0.033 0.000 1.028 235 V CA -1.023 61.296 62.300 0.033 0.000 0.860 235 V CB 1.686 33.492 31.823 -0.028 0.000 0.991 235 V HN 0.299 nan 8.190 nan 0.000 0.427 236 G N 2.728 111.444 108.800 -0.140 0.000 2.454 236 G HA2 0.711 4.672 3.960 0.001 0.000 0.329 236 G HA3 0.711 4.672 3.960 0.001 0.000 0.329 236 G C -1.405 173.319 174.900 -0.293 0.000 1.177 236 G CA -0.664 44.046 45.100 -0.650 0.000 0.951 236 G HN 0.563 nan 8.290 nan 0.000 0.485 237 V N 0.698 120.455 119.914 -0.261 0.000 2.531 237 V HA 0.544 4.664 4.120 0.001 0.000 0.301 237 V C -0.077 175.987 176.094 -0.050 0.000 1.034 237 V CA -0.876 61.352 62.300 -0.120 0.000 0.865 237 V CB 1.735 33.480 31.823 -0.131 0.000 0.995 237 V HN 0.776 nan 8.190 nan 0.000 0.424 238 R N 3.362 123.836 120.500 -0.044 0.000 2.338 238 R HA 0.805 5.146 4.340 0.001 0.000 0.317 238 R C -0.993 175.232 176.300 -0.126 0.000 0.968 238 R CA -0.336 55.694 56.100 -0.116 0.000 0.849 238 R CB 1.760 31.885 30.300 -0.291 0.000 1.128 238 R HN 0.712 nan 8.270 nan 0.000 0.448 239 V N 0.485 120.320 119.914 -0.132 0.000 3.040 239 V HA 0.736 4.857 4.120 0.001 0.000 0.312 239 V C -0.709 175.323 176.094 -0.102 0.000 1.115 239 V CA -0.801 61.445 62.300 -0.090 0.000 0.998 239 V CB 2.160 33.959 31.823 -0.039 0.000 1.042 239 V HN 0.817 nan 8.190 nan 0.000 0.433 240 S N 0.818 116.481 115.700 -0.061 0.000 2.496 240 S HA 0.554 5.024 4.470 0.001 0.000 0.221 240 S C -2.406 172.218 174.600 0.039 0.000 1.260 240 S CA -0.974 57.222 58.200 -0.006 0.000 1.181 240 S CB 1.420 64.627 63.200 0.010 0.000 1.136 240 S HN 0.635 nan 8.310 nan 0.000 0.467 241 P HA 0.190 nan 4.420 nan 0.000 0.220 241 P C 0.721 178.058 177.300 0.060 0.000 1.152 241 P CA 0.735 63.868 63.100 0.054 0.000 0.812 241 P CB 0.125 31.860 31.700 0.058 0.000 0.792 242 A N -0.521 122.340 122.820 0.068 0.000 2.965 242 A HA 0.421 4.741 4.320 0.001 0.000 0.304 242 A C 0.080 177.714 177.584 0.083 0.000 1.214 242 A CA -0.203 51.876 52.037 0.069 0.000 0.977 242 A CB -0.867 18.171 19.000 0.064 0.000 1.127 242 A HN 0.071 nan 8.150 nan 0.000 0.572 243 I N 0.705 121.332 120.570 0.095 0.000 2.439 243 I HA 0.201 4.372 4.170 0.001 0.000 0.285 243 I C 0.090 176.276 176.117 0.116 0.000 1.021 243 I CA -0.668 60.705 61.300 0.122 0.000 1.091 243 I CB 2.218 40.319 38.000 0.168 0.000 1.242 243 I HN 0.403 nan 8.210 nan 0.000 0.439 244 D N 4.355 124.834 120.400 0.132 0.000 2.355 244 D HA -0.121 4.519 4.640 0.001 0.000 0.218 244 D C 0.871 177.220 176.300 0.081 0.000 1.004 244 D CA 0.183 54.256 54.000 0.121 0.000 0.880 244 D CB -0.087 40.813 40.800 0.166 0.000 0.911 244 D HN 0.471 nan 8.370 nan 0.000 0.528 245 H N 2.035 121.063 119.070 -0.070 0.000 3.209 245 H HA -0.134 4.422 4.556 0.000 0.000 0.297 245 H C 0.803 175.667 175.328 -0.773 0.000 0.936 245 H CA 0.693 56.480 56.048 -0.435 0.000 1.392 245 H CB 0.214 29.812 29.762 -0.273 0.000 1.349 245 H HN 0.157 nan 8.280 nan 0.000 0.568 246 L N 5.489 125.483 121.223 -2.048 0.000 3.634 246 L HA -0.319 4.021 4.340 0.001 0.000 0.423 246 L C 0.038 176.470 176.870 -0.731 0.000 1.253 246 L CA 0.841 54.658 54.840 -1.704 0.000 0.885 246 L CB -1.401 39.888 42.059 -1.284 0.000 1.789 246 L HN 0.871 nan 8.230 nan 0.000 0.904 247 D N -2.412 117.780 120.400 -0.346 0.000 2.870 247 D HA -0.201 4.440 4.640 0.001 0.000 0.228 247 D C 0.828 177.072 176.300 -0.093 0.000 1.147 247 D CA 1.438 55.400 54.000 -0.063 0.000 0.757 247 D CB -0.832 39.958 40.800 -0.017 0.000 1.091 247 D HN 0.735 nan 8.370 nan 0.000 0.429 248 A N 0.771 123.521 122.820 -0.118 0.000 3.126 248 A HA 0.477 4.798 4.320 0.001 0.000 0.268 248 A C 0.949 178.530 177.584 -0.005 0.000 1.605 248 A CA 0.165 52.160 52.037 -0.070 0.000 1.305 248 A CB -0.183 18.767 19.000 -0.084 0.000 1.160 248 A HN 0.204 nan 8.150 nan 0.000 0.609 249 T N -1.985 112.573 114.554 0.008 0.000 2.928 249 T HA 0.625 4.975 4.350 0.001 0.000 0.284 249 T C -0.735 173.979 174.700 0.024 0.000 1.008 249 T CA -0.600 61.518 62.100 0.029 0.000 1.057 249 T CB 1.844 70.734 68.868 0.038 0.000 1.018 249 T HN 0.340 nan 8.240 nan 0.000 0.493 250 D N -0.599 119.820 120.400 0.032 0.000 2.575 250 D HA 0.440 5.081 4.640 0.001 0.000 0.236 250 D C 1.278 177.595 176.300 0.030 0.000 1.075 250 D CA -0.441 53.577 54.000 0.030 0.000 0.860 250 D CB 2.052 42.874 40.800 0.036 0.000 1.475 250 D HN 0.541 nan 8.370 nan 0.000 0.474 251 S N 1.834 117.549 115.700 0.026 0.000 2.399 251 S HA -0.108 4.363 4.470 0.001 0.000 0.231 251 S C 0.614 175.229 174.600 0.026 0.000 1.022 251 S CA 0.710 58.925 58.200 0.024 0.000 0.983 251 S CB 0.079 63.291 63.200 0.020 0.000 0.803 251 S HN 0.515 nan 8.310 nan 0.000 0.480 252 D N 1.084 121.501 120.400 0.029 0.000 2.330 252 D HA 0.407 5.048 4.640 0.001 0.000 0.249 252 D C -2.521 173.800 176.300 0.035 0.000 1.306 252 D CA -2.162 51.856 54.000 0.030 0.000 0.956 252 D CB 1.735 42.551 40.800 0.027 0.000 1.261 252 D HN -0.060 nan 8.370 nan 0.000 0.544 253 P HA -0.084 nan 4.420 nan 0.000 0.218 253 P C 1.579 178.906 177.300 0.046 0.000 1.149 253 P CA 0.232 63.358 63.100 0.044 0.000 0.817 253 P CB 0.507 32.235 31.700 0.047 0.000 0.785 254 L N -0.695 120.553 121.223 0.042 0.000 2.056 254 L HA -0.057 4.283 4.340 0.001 0.000 0.207 254 L C 2.105 179.000 176.870 0.042 0.000 1.078 254 L CA 1.985 56.851 54.840 0.042 0.000 0.749 254 L CB -1.302 40.778 42.059 0.035 0.000 0.901 254 L HN -0.163 nan 8.230 nan 0.000 0.433 255 S N -0.576 115.147 115.700 0.037 0.000 2.402 255 S HA -0.108 4.362 4.470 0.001 0.000 0.229 255 S C 1.756 176.380 174.600 0.041 0.000 1.021 255 S CA 1.303 59.524 58.200 0.036 0.000 0.974 255 S CB -0.423 62.795 63.200 0.031 0.000 0.800 255 S HN 0.433 nan 8.310 nan 0.000 0.484 256 L N 2.160 123.410 121.223 0.044 0.000 2.005 256 L HA 0.077 4.417 4.340 0.001 0.000 0.207 256 L C 2.328 179.229 176.870 0.051 0.000 1.072 256 L CA 2.101 56.970 54.840 0.048 0.000 0.744 256 L CB -1.415 40.673 42.059 0.049 0.000 0.895 256 L HN 0.289 nan 8.230 nan 0.000 0.433 257 G N -0.261 108.572 108.800 0.055 0.000 2.476 257 G HA2 -0.281 3.680 3.960 0.001 0.000 0.218 257 G HA3 -0.281 3.680 3.960 0.001 0.000 0.218 257 G C 1.624 176.565 174.900 0.069 0.000 1.164 257 G CA 1.290 46.428 45.100 0.064 0.000 0.768 257 G HN 0.440 nan 8.290 nan 0.000 0.560 258 L N 0.542 121.803 121.223 0.064 0.000 2.201 258 L HA 0.025 4.366 4.340 0.001 0.000 0.212 258 L C 3.285 180.190 176.870 0.059 0.000 1.105 258 L CA 0.714 55.592 54.840 0.064 0.000 0.775 258 L CB -0.215 41.875 42.059 0.052 0.000 0.913 258 L HN 0.331 nan 8.230 nan 0.000 0.440 259 A N -0.651 122.199 122.820 0.051 0.000 1.970 259 A HA -0.065 4.255 4.320 0.001 0.000 0.216 259 A C 2.271 179.883 177.584 0.046 0.000 1.170 259 A CA 1.071 53.135 52.037 0.045 0.000 0.645 259 A CB -0.409 18.615 19.000 0.041 0.000 0.816 259 A HN 0.172 nan 8.150 nan 0.000 0.447 260 V N -0.574 119.369 119.914 0.048 0.000 2.323 260 V HA -0.178 3.942 4.120 0.001 0.000 0.244 260 V C 2.556 178.681 176.094 0.051 0.000 1.041 260 V CA 1.770 64.093 62.300 0.038 0.000 1.025 260 V CB -0.720 31.119 31.823 0.027 0.000 0.656 260 V HN 0.335 nan 8.190 nan 0.000 0.451 261 V N 1.167 121.126 119.914 0.076 0.000 2.282 261 V HA -0.252 3.868 4.120 0.001 0.000 0.249 261 V C 2.674 178.859 176.094 0.151 0.000 1.057 261 V CA 2.438 64.821 62.300 0.137 0.000 1.032 261 V CB -1.484 30.440 31.823 0.168 0.000 0.645 261 V HN 0.621 nan 8.190 nan 0.000 0.447 262 G N -0.983 107.877 108.800 0.100 0.000 2.440 262 G HA2 -0.329 3.631 3.960 0.001 0.000 0.218 262 G HA3 -0.329 3.631 3.960 0.001 0.000 0.218 262 G C 1.597 176.535 174.900 0.063 0.000 1.154 262 G CA 1.156 46.301 45.100 0.075 0.000 0.767 262 G HN 0.373 nan 8.290 nan 0.000 0.552 263 M N 0.215 119.847 119.600 0.053 0.000 2.117 263 M HA 0.042 4.522 4.480 0.001 0.000 0.262 263 M C 2.475 178.801 176.300 0.044 0.000 1.065 263 M CA 1.349 56.670 55.300 0.035 0.000 1.114 263 M CB -0.452 32.161 32.600 0.020 0.000 1.361 263 M HN 0.257 nan 8.290 nan 0.000 0.408 264 L N 0.027 121.296 121.223 0.077 0.000 2.109 264 L HA -0.213 4.127 4.340 0.001 0.000 0.207 264 L C 2.130 179.083 176.870 0.138 0.000 1.086 264 L CA 0.747 55.654 54.840 0.112 0.000 0.760 264 L CB -0.967 41.184 42.059 0.154 0.000 0.910 264 L HN 0.306 nan 8.230 nan 0.000 0.437 265 N N 0.866 119.648 118.700 0.136 0.000 2.058 265 N HA -0.162 4.578 4.740 0.001 0.000 0.191 265 N C 1.642 177.168 175.510 0.027 0.000 1.037 265 N CA 1.325 54.412 53.050 0.061 0.000 0.848 265 N CB -0.170 38.344 38.487 0.044 0.000 1.021 265 N HN 0.289 nan 8.380 nan 0.000 0.422 266 K N 0.092 120.508 120.400 0.028 0.000 2.515 266 K HA -0.022 4.299 4.320 0.001 0.000 0.196 266 K C 1.360 177.964 176.600 0.007 0.000 1.038 266 K CA 0.211 56.505 56.287 0.012 0.000 0.967 266 K CB 0.088 32.595 32.500 0.011 0.000 0.780 266 K HN 0.047 nan 8.250 nan 0.000 0.483 267 L N 0.960 122.192 121.223 0.014 0.000 2.249 267 L HA -0.024 4.316 4.340 0.001 0.000 0.207 267 L C 1.875 178.747 176.870 0.004 0.000 1.090 267 L CA 1.427 56.270 54.840 0.006 0.000 0.802 267 L CB -0.015 42.048 42.059 0.006 0.000 0.947 267 L HN 0.054 nan 8.230 nan 0.000 0.453 268 Q N -0.858 118.948 119.800 0.010 0.000 2.226 268 Q HA -0.100 4.241 4.340 0.001 0.000 0.204 268 Q C 1.995 177.988 176.000 -0.012 0.000 0.975 268 Q CA 1.207 57.010 55.803 -0.000 0.000 0.866 268 Q CB -0.360 28.376 28.738 -0.004 0.000 0.915 268 Q HN 0.647 nan 8.270 nan 0.000 0.440 269 G N -0.028 108.765 108.800 -0.012 0.000 2.394 269 G HA2 -0.176 3.784 3.960 0.001 0.000 0.215 269 G HA3 -0.176 3.784 3.960 0.001 0.000 0.215 269 G C 1.467 176.359 174.900 -0.013 0.000 1.165 269 G CA 0.536 45.627 45.100 -0.015 0.000 0.784 269 G HN 0.200 nan 8.290 nan 0.000 0.535 270 V N 1.236 121.144 119.914 -0.011 0.000 2.407 270 V HA -0.194 3.926 4.120 0.001 0.000 0.248 270 V C 2.488 178.574 176.094 -0.012 0.000 1.055 270 V CA 2.193 64.487 62.300 -0.011 0.000 1.049 270 V CB -0.438 31.379 31.823 -0.011 0.000 0.662 270 V HN 0.494 nan 8.190 nan 0.000 0.455 271 N N -0.651 118.042 118.700 -0.012 0.000 2.336 271 N HA 0.111 4.851 4.740 0.001 0.000 0.177 271 N C 1.396 176.898 175.510 -0.014 0.000 1.018 271 N CA 1.396 54.438 53.050 -0.012 0.000 0.878 271 N CB 0.588 39.069 38.487 -0.011 0.000 0.997 271 N HN 0.429 nan 8.380 nan 0.000 0.433 272 G N -1.324 107.467 108.800 -0.015 0.000 2.194 272 G HA2 -0.203 3.757 3.960 0.001 0.000 0.236 272 G HA3 -0.203 3.757 3.960 0.001 0.000 0.236 272 G C 0.006 174.893 174.900 -0.022 0.000 0.987 272 G CA 0.371 45.460 45.100 -0.019 0.000 0.635 272 G HN 0.570 nan 8.290 nan 0.000 0.520 273 S N -0.393 115.296 115.700 -0.019 0.000 2.570 273 S HA 0.673 5.144 4.470 0.001 0.000 0.286 273 S C -0.150 174.443 174.600 -0.011 0.000 1.099 273 S CA -0.569 57.619 58.200 -0.020 0.000 0.913 273 S CB 1.309 64.497 63.200 -0.021 0.000 1.085 273 S HN 0.393 nan 8.310 nan 0.000 0.480 274 K N 2.298 122.691 120.400 -0.013 0.000 2.237 274 K HA 0.407 4.728 4.320 0.001 0.000 0.270 274 K C -0.289 176.333 176.600 0.037 0.000 1.015 274 K CA -0.350 55.941 56.287 0.007 0.000 0.949 274 K CB 0.476 32.970 32.500 -0.009 0.000 0.976 274 K HN 0.529 nan 8.250 nan 0.000 0.472 275 L N 1.858 123.129 121.223 0.081 0.000 2.473 275 L HA -0.011 4.329 4.340 0.001 0.000 0.268 275 L C 1.680 178.605 176.870 0.091 0.000 1.215 275 L CA -0.086 54.800 54.840 0.076 0.000 0.823 275 L CB 0.425 42.530 42.059 0.077 0.000 1.099 275 L HN 0.850 nan 8.230 nan 0.000 0.483 276 A N 2.021 124.882 122.820 0.068 0.000 1.873 276 A HA -0.113 4.207 4.320 0.001 0.000 0.218 276 A C 0.413 178.077 177.584 0.134 0.000 1.193 276 A CA 2.038 54.141 52.037 0.110 0.000 0.629 276 A CB -0.426 18.688 19.000 0.190 0.000 0.826 276 A HN 0.786 nan 8.150 nan 0.000 0.447 277 Y N -5.215 115.106 120.300 0.035 0.000 2.779 277 Y HA 0.630 5.181 4.550 0.001 0.000 0.340 277 Y C -1.351 174.464 175.900 -0.141 0.000 1.252 277 Y CA -2.089 55.993 58.100 -0.031 0.000 1.072 277 Y CB 0.491 38.833 38.460 -0.198 0.000 1.343 277 Y HN 0.248 nan 8.280 nan 0.000 0.450 278 L N 2.117 123.293 121.223 -0.078 0.000 2.333 278 L HA 0.559 4.899 4.340 0.001 0.000 0.280 278 L C -1.389 175.355 176.870 -0.210 0.000 1.004 278 L CA -0.395 54.254 54.840 -0.318 0.000 0.820 278 L CB 1.405 42.952 42.059 -0.853 0.000 1.247 278 L HN 0.899 nan 8.230 nan 0.000 0.416 279 H N 4.216 123.175 119.070 -0.185 0.000 2.551 279 H HA 0.700 5.256 4.556 0.001 0.000 0.321 279 H C -1.511 173.637 175.328 -0.300 0.000 1.028 279 H CA -0.879 55.028 56.048 -0.236 0.000 1.215 279 H CB 1.387 31.149 29.762 -0.001 0.000 1.414 279 H HN 0.528 nan 8.280 nan 0.000 0.480 280 V N 5.107 124.933 119.914 -0.147 0.000 2.487 280 V HA 0.224 4.345 4.120 0.001 0.000 0.298 280 V C -0.073 176.029 176.094 0.014 0.000 1.028 280 V CA -0.722 61.509 62.300 -0.114 0.000 0.860 280 V CB 1.921 33.678 31.823 -0.111 0.000 0.991 280 V HN 0.830 nan 8.190 nan 0.000 0.427 281 T N 4.725 119.283 114.554 0.006 0.000 2.829 281 T HA 0.474 4.824 4.350 0.001 0.000 0.282 281 T C -0.308 174.450 174.700 0.097 0.000 0.990 281 T CA -0.488 61.654 62.100 0.071 0.000 1.028 281 T CB 1.295 70.226 68.868 0.106 0.000 0.951 281 T HN 0.653 nan 8.240 nan 0.000 0.460 282 Q N 2.833 122.692 119.800 0.098 0.000 2.230 282 Q HA 0.379 4.719 4.340 0.001 0.000 0.248 282 Q C -2.159 173.869 176.000 0.048 0.000 0.915 282 Q CA -2.058 53.782 55.803 0.062 0.000 0.900 282 Q CB 0.949 29.692 28.738 0.009 0.000 1.229 282 Q HN 0.409 nan 8.270 nan 0.000 0.439 283 P HA 0.299 nan 4.420 nan 0.000 0.276 283 P C -0.865 176.444 177.300 0.016 0.000 1.244 283 P CA -0.318 62.809 63.100 0.045 0.000 0.801 283 P CB 1.183 32.919 31.700 0.062 0.000 1.006 303 A N 0.755 123.580 122.820 0.009 0.000 2.216 303 A HA -0.060 4.261 4.320 0.001 0.000 0.214 303 A C 1.362 178.952 177.584 0.010 0.000 1.160 303 A CA 1.060 53.102 52.037 0.009 0.000 0.725 303 A CB -0.366 18.633 19.000 -0.003 0.000 0.784 303 A HN 0.316 nan 8.150 nan 0.000 0.472 304 K N -0.447 119.958 120.400 0.008 0.000 2.057 304 K HA -0.124 4.196 4.320 0.001 0.000 0.206 304 K C 1.864 178.470 176.600 0.009 0.000 1.050 304 K CA 1.226 57.516 56.287 0.004 0.000 0.935 304 K CB -0.699 31.804 32.500 0.005 0.000 0.715 304 K HN 0.509 nan 8.250 nan 0.000 0.439 305 L N 1.323 122.560 121.223 0.023 0.000 2.043 305 L HA -0.198 4.142 4.340 0.001 0.000 0.212 305 L C 2.110 179.010 176.870 0.051 0.000 1.075 305 L CA 1.778 56.641 54.840 0.038 0.000 0.752 305 L CB -0.511 41.576 42.059 0.048 0.000 0.891 305 L HN 0.089 nan 8.230 nan 0.000 0.432 306 M N -0.363 119.273 119.600 0.059 0.000 2.064 306 M HA -0.182 4.298 4.480 0.001 0.000 0.260 306 M C 2.246 178.519 176.300 -0.045 0.000 1.073 306 M CA 1.751 57.105 55.300 0.089 0.000 1.124 306 M CB -1.089 31.587 32.600 0.128 0.000 1.326 306 M HN 0.279 nan 8.290 nan 0.000 0.410 307 K N -0.174 120.190 120.400 -0.060 0.000 2.113 307 K HA -0.130 4.190 4.320 0.001 0.000 0.208 307 K C 2.174 178.703 176.600 -0.118 0.000 1.047 307 K CA 1.677 57.894 56.287 -0.116 0.000 0.928 307 K CB -0.277 32.185 32.500 -0.062 0.000 0.716 307 K HN 0.224 nan 8.250 nan 0.000 0.446 308 S N 1.472 117.138 115.700 -0.056 0.000 2.356 308 S HA -0.069 4.402 4.470 0.001 0.000 0.223 308 S C 1.963 176.547 174.600 -0.026 0.000 1.032 308 S CA 1.058 59.241 58.200 -0.029 0.000 1.005 308 S CB -0.225 62.977 63.200 0.003 0.000 0.867 308 S HN 0.208 nan 8.310 nan 0.000 0.449 309 L N 0.965 122.185 121.223 -0.004 0.000 2.131 309 L HA -0.066 4.274 4.340 0.001 0.000 0.210 309 L C 2.830 179.691 176.870 -0.015 0.000 1.092 309 L CA 0.944 55.826 54.840 0.070 0.000 0.759 309 L CB -0.562 41.625 42.059 0.213 0.000 0.903 309 L HN 0.205 nan 8.230 nan 0.000 0.435 310 R N 0.972 121.245 120.500 -0.379 0.000 2.070 310 R HA -0.130 4.211 4.340 0.001 0.000 0.233 310 R C 2.221 178.405 176.300 -0.194 0.000 1.137 310 R CA 1.809 57.524 56.100 -0.640 0.000 0.945 310 R CB -0.430 29.325 30.300 -0.910 0.000 0.845 310 R HN 0.331 nan 8.270 nan 0.000 0.430 311 M N -0.132 119.384 119.600 -0.140 0.000 2.149 311 M HA -0.161 4.320 4.480 0.001 0.000 0.261 311 M C 2.355 178.646 176.300 -0.015 0.000 1.064 311 M CA 2.044 57.306 55.300 -0.064 0.000 1.102 311 M CB -0.324 32.245 32.600 -0.052 0.000 1.369 311 M HN 0.210 nan 8.290 nan 0.000 0.408 312 A N -0.958 121.873 122.820 0.018 0.000 2.016 312 A HA -0.093 4.227 4.320 0.001 0.000 0.217 312 A C 0.810 178.468 177.584 0.123 0.000 1.162 312 A CA 0.530 52.604 52.037 0.061 0.000 0.662 312 A CB -0.427 18.617 19.000 0.074 0.000 0.812 312 A HN 0.467 nan 8.150 nan 0.000 0.450 313 Y N 1.138 121.464 120.300 0.043 0.000 2.336 313 Y HA 0.442 4.992 4.550 -0.000 0.000 0.335 313 Y C -0.031 175.907 175.900 0.064 0.000 1.046 313 Y CA -1.809 56.342 58.100 0.084 0.000 1.198 313 Y CB 0.280 38.852 38.460 0.186 0.000 1.182 313 Y HN 0.197 nan 8.280 nan 0.000 0.502 314 N N 4.428 122.770 118.700 -0.598 0.000 2.868 314 N HA 0.489 5.229 4.740 0.001 0.000 0.252 314 N C -0.322 174.687 175.510 -0.835 0.000 1.130 314 N CA 0.808 53.545 53.050 -0.521 0.000 1.026 314 N CB -0.100 38.217 38.487 -0.284 0.000 1.335 314 N HN 1.001 nan 8.380 nan 0.000 0.516 315 G N 0.103 108.511 108.800 -0.654 0.000 2.351 315 G HA2 0.023 3.983 3.960 0.001 0.000 0.279 315 G HA3 0.023 3.983 3.960 0.001 0.000 0.279 315 G C -1.262 173.761 174.900 0.206 0.000 1.297 315 G CA -0.843 44.085 45.100 -0.286 0.000 0.886 315 G HN 0.195 nan 8.290 nan 0.000 0.493 316 T N 0.726 115.517 114.554 0.395 0.000 2.870 316 T HA 0.457 4.807 4.350 0.001 0.000 0.300 316 T C -0.906 174.039 174.700 0.408 0.000 0.989 316 T CA 0.585 62.904 62.100 0.363 0.000 1.139 316 T CB 0.684 69.722 68.868 0.283 0.000 0.920 316 T HN 0.538 nan 8.240 nan 0.000 0.537 317 F N 4.201 124.201 119.950 0.085 0.000 2.403 317 F HA 0.543 5.070 4.527 -0.000 0.000 0.355 317 F C -0.216 175.491 175.800 -0.155 0.000 1.119 317 F CA -1.071 56.935 58.000 0.011 0.000 1.007 317 F CB 1.142 40.174 39.000 0.054 0.000 1.194 317 F HN 0.407 nan 8.300 nan 0.000 0.443 318 M N 6.763 126.039 119.600 -0.539 0.000 2.088 318 M HA 0.372 4.853 4.480 0.001 0.000 0.346 318 M C -0.808 175.130 176.300 -0.602 0.000 1.111 318 M CA -0.335 54.593 55.300 -0.619 0.000 1.017 318 M CB 0.709 32.735 32.600 -0.956 0.000 1.568 318 M HN 0.656 nan 8.290 nan 0.000 0.445 319 S N 3.443 118.938 115.700 -0.341 0.000 2.549 319 S HA 0.778 5.249 4.470 0.001 0.000 0.297 319 S C -0.588 173.956 174.600 -0.094 0.000 1.115 319 S CA -0.644 57.501 58.200 -0.092 0.000 1.059 319 S CB 2.000 65.354 63.200 0.256 0.000 1.046 319 S HN 0.716 nan 8.310 nan 0.000 0.506 320 S N 0.975 116.800 115.700 0.208 0.000 2.588 320 S HA 0.845 5.315 4.470 0.001 0.000 0.275 320 S C -0.380 174.425 174.600 0.342 0.000 1.130 320 S CA 0.228 58.576 58.200 0.247 0.000 0.855 320 S CB 1.082 64.410 63.200 0.215 0.000 1.116 320 S HN 2.480 nan 8.310 nan 0.000 0.472 321 G N 0.894 109.860 108.800 0.277 0.000 3.373 321 G HA2 0.438 4.399 3.960 0.001 0.000 0.685 321 G HA3 0.438 4.399 3.960 0.001 0.000 0.685 321 G C 0.844 175.703 174.900 -0.069 0.000 1.166 321 G CA 0.271 45.424 45.100 0.088 0.000 1.063 321 G HN 2.128 nan 8.290 nan 0.000 0.481 322 G N 0.155 108.938 108.800 -0.027 0.000 2.179 322 G HA2 -0.125 3.836 3.960 0.001 0.000 0.257 322 G HA3 -0.125 3.836 3.960 0.001 0.000 0.257 322 G C 0.477 175.295 174.900 -0.136 0.000 1.010 322 G CA 0.747 45.802 45.100 -0.074 0.000 0.736 322 G HN 1.486 nan 8.290 nan 0.000 0.513 323 F N 1.273 121.189 119.950 -0.057 0.000 2.389 323 F HA 0.512 5.040 4.527 0.000 0.000 0.337 323 F C 1.052 176.950 175.800 0.163 0.000 1.112 323 F CA 0.146 58.107 58.000 -0.066 0.000 1.192 323 F CB 0.927 39.693 39.000 -0.390 0.000 1.185 323 F HN 0.410 nan 8.300 nan 0.000 0.552 324 N N 0.950 119.882 118.700 0.387 0.000 3.255 324 N HA 0.262 5.002 4.740 0.001 0.000 0.359 324 N C 0.496 176.054 175.510 0.081 0.000 1.463 324 N CA -0.656 52.587 53.050 0.321 0.000 0.695 324 N CB 0.344 38.924 38.487 0.156 0.000 1.581 324 N HN 0.401 nan 8.380 nan 0.000 0.622 325 K N -0.083 120.118 120.400 -0.331 0.000 2.007 325 K HA -0.078 4.242 4.320 0.001 0.000 0.206 325 K C 1.532 177.971 176.600 -0.268 0.000 1.047 325 K CA 1.127 56.987 56.287 -0.712 0.000 0.937 325 K CB -0.252 31.790 32.500 -0.763 0.000 0.718 325 K HN 0.652 nan 8.250 nan 0.000 0.438 326 E N 0.706 120.835 120.200 -0.118 0.000 2.058 326 E HA -0.204 4.147 4.350 0.001 0.000 0.194 326 E C 2.209 178.810 176.600 0.002 0.000 0.997 326 E CA 1.156 57.529 56.400 -0.045 0.000 0.801 326 E CB -0.051 29.640 29.700 -0.015 0.000 0.746 326 E HN 0.278 nan 8.360 nan 0.000 0.450 327 L N -0.046 121.211 121.223 0.057 0.000 2.083 327 L HA -0.117 4.223 4.340 0.001 0.000 0.209 327 L C 2.590 179.614 176.870 0.256 0.000 1.083 327 L CA 1.262 56.187 54.840 0.141 0.000 0.752 327 L CB -0.480 41.648 42.059 0.115 0.000 0.899 327 L HN 0.286 nan 8.230 nan 0.000 0.433 328 G N -0.986 107.945 108.800 0.219 0.000 2.408 328 G HA2 -0.203 3.758 3.960 0.001 0.000 0.217 328 G HA3 -0.203 3.758 3.960 0.001 0.000 0.217 328 G C 1.619 176.472 174.900 -0.079 0.000 1.150 328 G CA 0.276 45.397 45.100 0.034 0.000 0.776 328 G HN 0.072 nan 8.290 nan 0.000 0.542 329 M N 1.008 120.547 119.600 -0.101 0.000 2.132 329 M HA -0.082 4.399 4.480 0.001 0.000 0.263 329 M C 2.804 179.071 176.300 -0.055 0.000 1.065 329 M CA 1.590 56.817 55.300 -0.121 0.000 1.122 329 M CB -0.833 31.703 32.600 -0.107 0.000 1.365 329 M HN 0.598 nan 8.290 nan 0.000 0.411 330 Q N -0.437 119.356 119.800 -0.011 0.000 2.245 330 Q HA 0.039 4.380 4.340 0.001 0.000 0.201 330 Q C 1.876 177.885 176.000 0.016 0.000 0.955 330 Q CA 1.265 57.072 55.803 0.006 0.000 0.870 330 Q CB -0.423 28.326 28.738 0.018 0.000 0.945 330 Q HN 0.356 nan 8.270 nan 0.000 0.461 331 A N 1.238 124.081 122.820 0.037 0.000 1.902 331 A HA -0.097 4.224 4.320 0.001 0.000 0.217 331 A C 2.297 179.870 177.584 -0.017 0.000 1.181 331 A CA 1.568 53.630 52.037 0.042 0.000 0.623 331 A CB -0.719 18.333 19.000 0.086 0.000 0.818 331 A HN 0.247 nan 8.150 nan 0.000 0.443 332 V N -0.368 119.513 119.914 -0.055 0.000 2.323 332 V HA -0.276 3.844 4.120 0.001 0.000 0.244 332 V C 2.586 178.658 176.094 -0.037 0.000 1.041 332 V CA 2.106 64.365 62.300 -0.068 0.000 1.025 332 V CB -0.939 30.820 31.823 -0.107 0.000 0.656 332 V HN 0.621 nan 8.190 nan 0.000 0.451 333 Q N -0.370 119.414 119.800 -0.027 0.000 2.181 333 Q HA -0.267 4.073 4.340 0.001 0.000 0.205 333 Q C 2.154 178.150 176.000 -0.007 0.000 0.980 333 Q CA 1.736 57.532 55.803 -0.011 0.000 0.862 333 Q CB -0.110 28.624 28.738 -0.006 0.000 0.905 333 Q HN 0.680 nan 8.270 nan 0.000 0.429 334 Q N -1.654 118.141 119.800 -0.008 0.000 2.356 334 Q HA 0.126 4.466 4.340 0.001 0.000 0.205 334 Q C 0.695 176.685 176.000 -0.017 0.000 0.901 334 Q CA 0.379 56.177 55.803 -0.009 0.000 0.938 334 Q CB 0.989 29.725 28.738 -0.004 0.000 1.081 334 Q HN 0.502 nan 8.270 nan 0.000 0.517 335 G N 1.208 109.995 108.800 -0.021 0.000 2.143 335 G HA2 -0.262 3.698 3.960 0.001 0.000 0.248 335 G HA3 -0.262 3.698 3.960 0.001 0.000 0.248 335 G C 0.301 175.169 174.900 -0.053 0.000 0.991 335 G CA 0.475 45.557 45.100 -0.029 0.000 0.689 335 G HN 0.316 nan 8.290 nan 0.000 0.522 336 D N 0.224 120.596 120.400 -0.046 0.000 2.178 336 D HA 0.333 4.974 4.640 0.001 0.000 0.202 336 D C 1.480 177.738 176.300 -0.069 0.000 0.974 336 D CA 1.786 55.745 54.000 -0.068 0.000 0.841 336 D CB 0.120 40.920 40.800 -0.001 0.000 0.953 336 D HN 1.141 nan 8.370 nan 0.000 0.478 337 A N -0.085 122.728 122.820 -0.010 0.000 2.572 337 A HA 0.374 4.694 4.320 0.001 0.000 0.295 337 A C -0.100 177.448 177.584 -0.059 0.000 1.072 337 A CA -0.681 51.390 52.037 0.056 0.000 0.691 337 A CB 1.544 20.569 19.000 0.042 0.000 1.291 337 A HN -0.259 nan 8.150 nan 0.000 0.404 338 D N 0.175 120.514 120.400 -0.103 0.000 2.201 338 D HA 0.170 4.811 4.640 0.001 0.000 0.209 338 D C 0.191 176.198 176.300 -0.488 0.000 0.961 338 D CA 1.358 55.141 54.000 -0.361 0.000 0.861 338 D CB 0.248 40.749 40.800 -0.498 0.000 0.997 338 D HN 0.451 nan 8.370 nan 0.000 0.486 339 L N 0.356 121.335 121.223 -0.407 0.000 2.388 339 L HA 0.479 4.819 4.340 0.001 0.000 0.264 339 L C -1.008 175.622 176.870 -0.400 0.000 0.998 339 L CA -0.899 53.688 54.840 -0.423 0.000 0.817 339 L CB 3.256 44.994 42.059 -0.535 0.000 1.338 339 L HN -0.362 nan 8.230 nan 0.000 0.414 340 V N 0.499 120.194 119.914 -0.365 0.000 2.482 340 V HA 0.409 4.530 4.120 0.001 0.000 0.295 340 V C -0.149 175.742 176.094 -0.339 0.000 1.026 340 V CA -0.616 61.372 62.300 -0.520 0.000 0.856 340 V CB 1.726 33.151 31.823 -0.663 0.000 1.001 340 V HN 0.843 nan 8.190 nan 0.000 0.424 341 S N 4.295 119.765 115.700 -0.384 0.000 2.541 341 S HA 0.786 5.257 4.470 0.001 0.000 0.283 341 S C -1.174 173.341 174.600 -0.141 0.000 1.196 341 S CA -0.518 57.617 58.200 -0.107 0.000 1.062 341 S CB 0.983 64.153 63.200 -0.051 0.000 1.009 341 S HN 0.481 nan 8.310 nan 0.000 0.502 342 Y N 1.146 121.548 120.300 0.170 0.000 2.376 342 Y HA 0.631 5.182 4.550 0.001 0.000 0.340 342 Y C 1.095 177.108 175.900 0.188 0.000 0.965 342 Y CA -0.484 57.742 58.100 0.210 0.000 1.078 342 Y CB 2.148 40.748 38.460 0.233 0.000 1.193 342 Y HN 0.897 nan 8.280 nan 0.000 0.452 343 G N 2.069 110.994 108.800 0.208 0.000 2.571 343 G HA2 0.021 3.981 3.960 0.001 0.000 0.225 343 G HA3 0.021 3.981 3.960 0.001 0.000 0.225 343 G C 1.280 176.169 174.900 -0.018 0.000 1.731 343 G CA -0.177 44.957 45.100 0.058 0.000 0.858 343 G HN 0.588 nan 8.290 nan 0.000 0.611 344 R N -0.061 120.366 120.500 -0.122 0.000 2.103 344 R HA 0.019 4.360 4.340 0.001 0.000 0.242 344 R C 2.638 178.834 176.300 -0.173 0.000 1.142 344 R CA 1.105 56.998 56.100 -0.344 0.000 0.960 344 R CB -0.523 29.397 30.300 -0.634 0.000 0.858 344 R HN 0.274 nan 8.270 nan 0.000 0.439 345 L N -0.937 120.298 121.223 0.019 0.000 2.201 345 L HA -0.131 4.210 4.340 0.001 0.000 0.212 345 L C 1.968 178.775 176.870 -0.104 0.000 1.105 345 L CA 0.680 55.535 54.840 0.026 0.000 0.775 345 L CB -0.203 41.907 42.059 0.084 0.000 0.913 345 L HN 0.112 nan 8.230 nan 0.000 0.440 346 F N 0.071 119.941 119.950 -0.134 0.000 2.456 346 F HA -0.037 4.490 4.527 0.001 0.000 0.298 346 F C 2.148 177.786 175.800 -0.270 0.000 1.104 346 F CA 0.636 58.511 58.000 -0.208 0.000 1.435 346 F CB -0.135 38.783 39.000 -0.137 0.000 1.078 346 F HN -0.073 nan 8.300 nan 0.000 0.546 347 I N -0.565 119.972 120.570 -0.056 0.000 2.142 347 I HA -0.307 3.863 4.170 0.001 0.000 0.240 347 I C 2.540 178.331 176.117 -0.543 0.000 1.078 347 I CA 1.466 62.650 61.300 -0.192 0.000 1.343 347 I CB -0.789 37.066 38.000 -0.243 0.000 1.046 347 I HN 0.052 nan 8.210 nan 0.000 0.405 348 A N 0.011 122.473 122.820 -0.598 0.000 2.066 348 A HA -0.026 4.295 4.320 0.001 0.000 0.218 348 A C 0.844 178.135 177.584 -0.489 0.000 1.157 348 A CA 0.917 52.405 52.037 -0.915 0.000 0.670 348 A CB -0.305 18.507 19.000 -0.314 0.000 0.804 348 A HN 0.463 nan 8.150 nan 0.000 0.453 349 N N 0.075 118.563 118.700 -0.353 0.000 2.716 349 N HA 0.184 4.924 4.740 0.001 0.000 0.253 349 N C -2.535 172.758 175.510 -0.362 0.000 1.170 349 N CA -1.176 51.664 53.050 -0.349 0.000 0.807 349 N CB 1.675 39.925 38.487 -0.396 0.000 1.183 349 N HN 0.119 nan 8.380 nan 0.000 0.524 350 P HA -0.128 nan 4.420 nan 0.000 0.218 350 P C 0.231 177.331 177.300 -0.333 0.000 1.148 350 P CA 1.453 64.318 63.100 -0.393 0.000 0.822 350 P CB 0.205 31.457 31.700 -0.747 0.000 0.784 351 D N -0.702 119.402 120.400 -0.494 0.000 2.895 351 D HA 0.034 4.674 4.640 0.001 0.000 0.258 351 D C 1.408 177.484 176.300 -0.373 0.000 1.311 351 D CA -0.654 53.188 54.000 -0.264 0.000 0.843 351 D CB -0.619 40.136 40.800 -0.076 0.000 1.055 351 D HN -0.012 nan 8.370 nan 0.000 0.486 352 L N 0.350 121.200 121.223 -0.621 0.000 2.079 352 L HA -0.201 4.139 4.340 0.001 0.000 0.210 352 L C 1.901 178.203 176.870 -0.947 0.000 1.081 352 L CA 1.490 55.739 54.840 -0.985 0.000 0.752 352 L CB -0.233 40.888 42.059 -1.563 0.000 0.896 352 L HN 0.039 nan 8.230 nan 0.000 0.433 353 V N -1.275 118.264 119.914 -0.625 0.000 2.332 353 V HA -0.285 3.835 4.120 0.001 0.000 0.248 353 V C 2.571 178.551 176.094 -0.189 0.000 1.055 353 V CA 1.934 64.019 62.300 -0.358 0.000 1.038 353 V CB -0.905 30.726 31.823 -0.321 0.000 0.651 353 V HN 0.491 nan 8.190 nan 0.000 0.450 354 S N -0.611 114.977 115.700 -0.186 0.000 2.368 354 S HA -0.161 4.309 4.470 0.001 0.000 0.224 354 S C 2.136 176.664 174.600 -0.120 0.000 1.029 354 S CA 1.439 59.566 58.200 -0.122 0.000 0.988 354 S CB -0.264 62.894 63.200 -0.070 0.000 0.838 354 S HN 0.539 nan 8.310 nan 0.000 0.462 355 R N 0.132 120.518 120.500 -0.190 0.000 2.081 355 R HA -0.030 4.310 4.340 0.001 0.000 0.235 355 R C 1.926 178.238 176.300 0.021 0.000 1.131 355 R CA 1.384 57.401 56.100 -0.140 0.000 0.960 355 R CB -0.405 29.746 30.300 -0.248 0.000 0.856 355 R HN 0.303 nan 8.270 nan 0.000 0.436 356 F N 1.383 121.284 119.950 -0.083 0.000 2.134 356 F HA -0.152 4.376 4.527 0.001 0.000 0.299 356 F C 2.214 178.056 175.800 0.069 0.000 1.097 356 F CA 1.023 59.045 58.000 0.036 0.000 1.264 356 F CB -0.670 38.382 39.000 0.088 0.000 1.001 356 F HN -0.059 nan 8.300 nan 0.000 0.479 357 K N 0.477 120.908 120.400 0.050 0.000 2.032 357 K HA -0.159 4.161 4.320 0.001 0.000 0.209 357 K C 1.670 178.122 176.600 -0.247 0.000 1.048 357 K CA 1.859 57.865 56.287 -0.468 0.000 0.927 357 K CB -0.347 31.882 32.500 -0.451 0.000 0.712 357 K HN 0.397 nan 8.250 nan 0.000 0.441 358 I N -2.500 118.004 120.570 -0.111 0.000 3.861 358 I HA 0.114 4.284 4.170 0.001 0.000 0.329 358 I C -0.744 175.365 176.117 -0.014 0.000 1.321 358 I CA -0.061 61.198 61.300 -0.067 0.000 1.126 358 I CB 0.243 38.209 38.000 -0.056 0.000 1.018 358 I HN 0.050 nan 8.210 nan 0.000 0.407 359 D N 2.448 122.866 120.400 0.030 0.000 2.751 359 D HA -0.146 4.494 4.640 0.001 0.000 0.233 359 D C 0.894 177.222 176.300 0.047 0.000 1.149 359 D CA 1.134 55.171 54.000 0.062 0.000 0.682 359 D CB -0.941 39.884 40.800 0.041 0.000 1.068 359 D HN 0.713 nan 8.370 nan 0.000 0.429 360 G N -0.134 108.687 108.800 0.034 0.000 2.611 360 G HA2 0.266 4.226 3.960 0.001 0.000 0.273 360 G HA3 0.266 4.226 3.960 0.001 0.000 0.273 360 G C 0.307 175.218 174.900 0.019 0.000 1.305 360 G CA -0.450 44.658 45.100 0.012 0.000 1.010 360 G HN 0.112 nan 8.290 nan 0.000 0.509 361 E N -1.101 119.101 120.200 0.004 0.000 2.349 361 E HA 0.320 4.670 4.350 0.001 0.000 0.262 361 E C -0.539 176.053 176.600 -0.013 0.000 1.088 361 E CA -0.074 56.330 56.400 0.007 0.000 0.899 361 E CB 1.324 31.028 29.700 0.007 0.000 1.044 361 E HN 0.153 nan 8.360 nan 0.000 0.420 362 L N 2.640 123.861 121.223 -0.003 0.000 2.333 362 L HA 0.310 4.650 4.340 0.001 0.000 0.280 362 L C -0.040 176.826 176.870 -0.007 0.000 1.004 362 L CA -1.060 53.765 54.840 -0.025 0.000 0.820 362 L CB 1.157 43.218 42.059 0.003 0.000 1.247 362 L HN 0.321 nan 8.230 nan 0.000 0.416 363 N N 2.938 121.628 118.700 -0.017 0.000 2.454 363 N HA 0.081 4.821 4.740 0.001 0.000 0.254 363 N C -0.309 175.225 175.510 0.039 0.000 1.228 363 N CA -0.069 53.000 53.050 0.031 0.000 0.900 363 N CB 0.740 39.269 38.487 0.069 0.000 1.089 363 N HN 0.359 nan 8.380 nan 0.000 0.449 364 K N 1.980 122.411 120.400 0.051 0.000 2.218 364 K HA 0.122 4.443 4.320 0.001 0.000 0.276 364 K C -0.139 176.516 176.600 0.091 0.000 1.022 364 K CA -0.355 55.927 56.287 -0.009 0.000 0.946 364 K CB 0.331 32.783 32.500 -0.079 0.000 1.000 364 K HN 0.499 nan 8.250 nan 0.000 0.468 365 Y N -0.377 119.989 120.300 0.111 0.000 2.309 365 Y HA 0.296 4.846 4.550 0.001 0.000 0.327 365 Y C 0.188 176.222 175.900 0.225 0.000 1.172 365 Y CA -1.237 56.978 58.100 0.192 0.000 1.280 365 Y CB 0.417 39.007 38.460 0.216 0.000 1.234 365 Y HN 0.415 nan 8.280 nan 0.000 0.512 366 N N 3.158 122.143 118.700 0.475 0.000 2.439 366 N HA 0.224 4.964 4.740 0.001 0.000 0.249 366 N C 0.510 176.057 175.510 0.062 0.000 1.003 366 N CA -0.497 52.683 53.050 0.217 0.000 0.942 366 N CB 0.726 39.324 38.487 0.186 0.000 1.115 366 N HN 0.802 nan 8.380 nan 0.000 0.505 367 R N 2.584 122.953 120.500 -0.219 0.000 2.091 367 R HA -0.138 4.202 4.340 0.001 0.000 0.238 367 R C 1.436 177.475 176.300 -0.434 0.000 1.136 367 R CA 1.321 56.978 56.100 -0.737 0.000 0.959 367 R CB 0.024 30.091 30.300 -0.388 0.000 0.856 367 R HN 0.552 nan 8.270 nan 0.000 0.437 368 K N 0.465 120.794 120.400 -0.118 0.000 2.211 368 K HA -0.103 4.218 4.320 0.001 0.000 0.204 368 K C 0.966 177.617 176.600 0.086 0.000 1.047 368 K CA 1.694 57.987 56.287 0.009 0.000 0.935 368 K CB 0.153 32.669 32.500 0.026 0.000 0.728 368 K HN 0.258 nan 8.250 nan 0.000 0.452 369 T N -1.581 113.046 114.554 0.123 0.000 3.223 369 T HA 0.135 4.486 4.350 0.001 0.000 0.259 369 T C 0.967 175.841 174.700 0.290 0.000 1.015 369 T CA -0.514 61.695 62.100 0.182 0.000 0.908 369 T CB -0.082 68.874 68.868 0.147 0.000 1.054 369 T HN -0.084 nan 8.240 nan 0.000 0.567 370 F N 1.831 121.762 119.950 -0.031 0.000 2.113 370 F HA 0.141 4.669 4.527 0.001 0.000 0.297 370 F C 0.839 176.398 175.800 -0.402 0.000 1.103 370 F CA 0.107 57.927 58.000 -0.301 0.000 1.248 370 F CB -0.444 38.220 39.000 -0.560 0.000 0.999 370 F HN 0.313 nan 8.300 nan 0.000 0.475 371 Y N -0.406 120.093 120.300 0.332 0.000 2.669 371 Y HA 0.269 4.820 4.550 0.001 0.000 0.302 371 Y C 0.711 176.708 175.900 0.163 0.000 1.000 371 Y CA -1.121 57.122 58.100 0.237 0.000 1.222 371 Y CB -0.767 37.900 38.460 0.345 0.000 1.209 371 Y HN -0.181 nan 8.280 nan 0.000 0.571 372 T N -3.466 111.200 114.554 0.187 0.000 2.897 372 T HA 0.274 4.624 4.350 0.001 0.000 0.278 372 T C 0.747 175.452 174.700 0.008 0.000 0.981 372 T CA -0.629 61.534 62.100 0.105 0.000 0.973 372 T CB 1.524 70.437 68.868 0.076 0.000 1.092 372 T HN 0.033 nan 8.240 nan 0.000 0.543 373 Q N -0.235 119.546 119.800 -0.030 0.000 2.282 373 Q HA 0.255 4.595 4.340 0.001 0.000 0.206 373 Q C 0.080 175.990 176.000 -0.149 0.000 0.878 373 Q CA -0.014 55.714 55.803 -0.125 0.000 0.944 373 Q CB 0.095 28.728 28.738 -0.176 0.000 1.100 373 Q HN 0.648 nan 8.270 nan 0.000 0.509 374 D N 0.484 120.826 120.400 -0.098 0.000 2.458 374 D HA -0.024 4.617 4.640 0.001 0.000 0.243 374 D C -1.711 174.540 176.300 -0.083 0.000 1.146 374 D CA -1.407 52.553 54.000 -0.067 0.000 0.877 374 D CB 1.440 42.228 40.800 -0.020 0.000 1.176 374 D HN 0.000 nan 8.370 nan 0.000 0.461 375 P HA -0.084 nan 4.420 nan 0.000 0.221 375 P C 1.124 178.529 177.300 0.174 0.000 1.150 375 P CA 0.467 63.594 63.100 0.045 0.000 0.800 375 P CB 0.546 32.267 31.700 0.035 0.000 0.787 376 V N -1.922 118.056 119.914 0.106 0.000 2.840 376 V HA 0.047 4.168 4.120 0.001 0.000 0.234 376 V C 0.912 177.058 176.094 0.086 0.000 1.159 376 V CA 0.283 62.646 62.300 0.106 0.000 1.194 376 V CB -0.331 31.526 31.823 0.056 0.000 0.971 376 V HN -0.268 nan 8.190 nan 0.000 0.494 377 V N 2.383 122.322 119.914 0.042 0.000 2.450 377 V HA 0.441 4.561 4.120 0.001 0.000 0.281 377 V C 1.465 177.569 176.094 0.017 0.000 1.019 377 V CA 1.235 63.537 62.300 0.003 0.000 1.062 377 V CB -0.371 31.450 31.823 -0.005 0.000 0.979 377 V HN 0.798 nan 8.190 nan 0.000 0.477 378 G N 3.752 112.511 108.800 -0.069 0.000 2.162 378 G HA2 -0.360 3.601 3.960 0.001 0.000 0.260 378 G HA3 -0.360 3.601 3.960 0.001 0.000 0.260 378 G C 0.361 175.399 174.900 0.229 0.000 0.976 378 G CA 0.930 46.002 45.100 -0.047 0.000 0.655 378 G HN 0.821 nan 8.290 nan 0.000 0.533 379 Y N 0.348 120.667 120.300 0.031 0.000 2.697 379 Y HA 0.245 4.796 4.550 0.001 0.000 0.268 379 Y C 2.631 178.655 175.900 0.207 0.000 1.092 379 Y CA 2.238 60.382 58.100 0.074 0.000 1.304 379 Y CB 0.152 38.576 38.460 -0.060 0.000 1.446 379 Y HN 0.439 nan 8.280 nan 0.000 0.491 380 T N -2.667 111.952 114.554 0.109 0.000 3.003 380 T HA 0.113 4.463 4.350 0.001 0.000 0.261 380 T C 0.595 175.355 174.700 0.101 0.000 1.003 380 T CA 0.470 62.609 62.100 0.065 0.000 0.917 380 T CB -0.115 68.786 68.868 0.055 0.000 1.084 380 T HN 0.336 nan 8.240 nan 0.000 0.522 381 D N 0.034 120.466 120.400 0.052 0.000 2.325 381 D HA 0.023 4.663 4.640 0.001 0.000 0.225 381 D C -0.373 175.911 176.300 -0.027 0.000 1.096 381 D CA -0.609 53.396 54.000 0.009 0.000 0.844 381 D CB -0.839 39.941 40.800 -0.033 0.000 0.925 381 D HN 0.387 nan 8.370 nan 0.000 0.513 382 Y N 2.329 122.651 120.300 0.037 0.000 2.496 382 Y HA 0.220 4.770 4.550 0.001 0.000 0.334 382 Y C -1.641 174.243 175.900 -0.026 0.000 1.080 382 Y CA -1.949 56.153 58.100 0.004 0.000 1.355 382 Y CB 0.335 38.784 38.460 -0.018 0.000 1.193 382 Y HN -0.013 nan 8.280 nan 0.000 0.523 383 P HA 0.045 nan 4.420 nan 0.000 0.275 383 P C -0.577 176.772 177.300 0.082 0.000 1.227 383 P CA -0.111 63.071 63.100 0.135 0.000 0.781 383 P CB 0.643 32.406 31.700 0.106 0.000 0.906 384 F N 1.509 121.475 119.950 0.027 0.000 2.485 384 F HA 0.080 4.607 4.527 0.001 0.000 0.327 384 F C 1.388 177.185 175.800 -0.006 0.000 1.203 384 F CA -0.050 57.950 58.000 0.001 0.000 1.295 384 F CB 0.009 39.005 39.000 -0.006 0.000 1.191 384 F HN 0.169 nan 8.300 nan 0.000 0.588 385 L N 2.296 123.614 121.223 0.157 0.000 2.453 385 L HA 0.347 4.687 4.340 0.001 0.000 0.272 385 L C 0.162 177.086 176.870 0.090 0.000 1.182 385 L CA -0.116 54.772 54.840 0.080 0.000 0.858 385 L CB -0.002 42.077 42.059 0.033 0.000 1.120 385 L HN 0.653 nan 8.230 nan 0.000 0.474 386 A N 6.633 129.487 122.820 0.056 0.000 2.407 386 A HA 0.544 4.864 4.320 0.001 0.000 0.248 386 A C -1.707 175.891 177.584 0.024 0.000 1.082 386 A CA -1.056 51.004 52.037 0.039 0.000 0.785 386 A CB -0.990 18.027 19.000 0.029 0.000 1.020 386 A HN 0.785 nan 8.150 nan 0.000 0.489 387 P HA 0.000 nan 4.420 nan 0.000 0.216 387 P CA 0.000 63.102 63.100 0.004 0.000 0.800 387 P CB 0.000 31.698 31.700 -0.003 0.000 0.726