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 1e05_1_I DATA FIRST_RESID 3 DATA SEQUENCE SPVDIcTAKP RDIPMNPMcI YRSXXXXXXX XXXXXQKIPE ATNRRVWELS DATA SEQUENCE KANSRFATTF YQHLADSKND NDNIFLSPLS ISTAFAMTKL GAcNDTLQQL DATA SEQUENCE MEVFKFDTIS EKTSDQIHFF FAKLNcRLYR KANKSSKLVS ANRLFGDKSL DATA SEQUENCE TFNETYQDIS ELVYGAKLQP LDFKENAEQS RAAINKWVSN KTEGRITDVI DATA SEQUENCE PSEAINELTV LVLVNTIYFK GLWKSKFSPE NTRKELFYKA DGEScSASMM DATA SEQUENCE YQEGKFRYRR VAEGTQVLEL PFKGDDITMV LILPKPEKSL AKVEKELTPE DATA SEQUENCE VLQEWLDELE EMMLVVHMPR FRIEDGFSLK EQLQDMGLVD LFSPEKSKLP DATA SEQUENCE GIVAEGRDDL YVSDAFHKAF LEVNEEGSEA AASTAVVIAG RSLNPNRVTF DATA SEQUENCE KANRPFLVFI REVPLNTIIF MGRVANPcV 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.604 174.600 0.006 0.000 1.055 3 S CA 0.000 58.203 58.200 0.006 0.000 1.107 3 S CB 0.000 63.203 63.200 0.004 0.000 0.593 4 P HA 0.371 nan 4.420 nan 0.000 0.204 4 P C -0.329 176.976 177.300 0.008 0.000 1.215 4 P CA 0.856 63.959 63.100 0.005 0.000 0.908 4 P CB -0.365 31.337 31.700 0.003 0.000 0.738 5 V N 1.677 121.596 119.914 0.007 0.000 2.384 5 V HA 0.332 4.457 4.120 0.009 0.000 0.287 5 V C -0.417 175.684 176.094 0.010 0.000 1.020 5 V CA -0.763 61.544 62.300 0.011 0.000 0.850 5 V CB 0.941 32.770 31.823 0.010 0.000 0.987 5 V HN 0.481 nan 8.190 nan 0.000 0.436 6 D N 2.861 123.270 120.400 0.015 0.000 2.392 6 D HA 0.397 5.043 4.640 0.009 0.000 0.246 6 D C 1.102 177.412 176.300 0.016 0.000 1.013 6 D CA -0.858 53.151 54.000 0.015 0.000 0.993 6 D CB 1.730 42.541 40.800 0.018 0.000 1.219 6 D HN 0.336 nan 8.370 nan 0.000 0.538 7 I N -0.129 120.449 120.570 0.013 0.000 2.335 7 I HA -0.277 3.898 4.170 0.009 0.000 0.251 7 I C 1.065 177.186 176.117 0.007 0.000 1.129 7 I CA 1.230 62.533 61.300 0.006 0.000 1.402 7 I CB 0.078 38.085 38.000 0.012 0.000 1.069 7 I HN 0.555 nan 8.210 nan 0.000 0.424 8 c N -0.508 118.102 118.600 0.017 0.000 2.533 8 c HA 0.030 4.605 4.570 0.009 0.000 0.272 8 c C 2.576 176.687 174.090 0.035 0.000 1.371 8 c CA 0.713 57.052 56.329 0.018 0.000 1.758 8 c CB -1.049 41.473 42.510 0.020 0.000 1.972 8 c HN 0.483 nan 8.230 nan 0.000 0.522 9 T N 1.510 116.086 114.554 0.037 0.000 2.978 9 T HA 0.119 4.474 4.350 0.009 0.000 0.262 9 T C 1.238 175.976 174.700 0.063 0.000 1.063 9 T CA 0.855 62.981 62.100 0.044 0.000 1.140 9 T CB -0.298 68.589 68.868 0.032 0.000 0.886 9 T HN 0.564 nan 8.240 nan 0.000 0.470 10 A N 3.165 126.024 122.820 0.064 0.000 2.540 10 A HA 0.043 4.369 4.320 0.009 0.000 0.268 10 A C 0.517 178.207 177.584 0.176 0.000 1.061 10 A CA 0.593 52.685 52.037 0.091 0.000 0.821 10 A CB -0.315 18.731 19.000 0.078 0.000 0.970 10 A HN 0.438 nan 8.150 nan 0.000 0.524 11 K N 3.448 123.924 120.400 0.125 0.000 2.148 11 K HA 0.311 4.636 4.320 0.009 0.000 0.239 11 K C -1.805 174.803 176.600 0.012 0.000 1.018 11 K CA -1.875 54.477 56.287 0.108 0.000 0.923 11 K CB 0.194 32.709 32.500 0.025 0.000 1.117 11 K HN 0.207 nan 8.250 nan 0.000 0.477 12 P HA -0.257 nan 4.420 nan 0.000 0.216 12 P C 1.410 178.595 177.300 -0.191 0.000 1.154 12 P CA 1.170 64.007 63.100 -0.439 0.000 0.865 12 P CB 0.099 31.444 31.700 -0.591 0.000 0.789 13 R N 0.288 120.716 120.500 -0.120 0.000 2.139 13 R HA -0.158 4.188 4.340 0.009 0.000 0.243 13 R C 1.605 177.884 176.300 -0.035 0.000 1.145 13 R CA 2.000 58.059 56.100 -0.067 0.000 0.976 13 R CB -2.032 28.238 30.300 -0.049 0.000 0.866 13 R HN 0.297 nan 8.270 nan 0.000 0.449 14 D N -0.336 120.055 120.400 -0.015 0.000 2.312 14 D HA 0.013 4.658 4.640 0.009 0.000 0.211 14 D C 0.118 176.424 176.300 0.009 0.000 0.964 14 D CA 0.856 54.859 54.000 0.004 0.000 0.877 14 D CB -0.019 40.795 40.800 0.023 0.000 0.924 14 D HN 0.380 nan 8.370 nan 0.000 0.515 15 I N 2.812 123.388 120.570 0.010 0.000 2.428 15 I HA 0.179 4.354 4.170 0.009 0.000 0.279 15 I C -2.207 173.913 176.117 0.006 0.000 1.040 15 I CA -1.885 59.429 61.300 0.022 0.000 1.171 15 I CB 1.521 39.563 38.000 0.071 0.000 1.312 15 I HN -0.285 nan 8.210 nan 0.000 0.470 16 P HA 0.239 nan 4.420 nan 0.000 0.275 16 P C -0.293 177.017 177.300 0.016 0.000 1.227 16 P CA -0.423 62.677 63.100 -0.001 0.000 0.781 16 P CB 0.914 32.612 31.700 -0.003 0.000 0.906 17 M N 1.465 121.071 119.600 0.010 0.000 2.233 17 M HA 0.108 4.593 4.480 0.009 0.000 0.350 17 M C 0.801 177.111 176.300 0.017 0.000 1.176 17 M CA -0.557 54.757 55.300 0.023 0.000 1.150 17 M CB -1.096 31.505 32.600 0.002 0.000 1.530 17 M HN 0.308 nan 8.290 nan 0.000 0.459 18 N N 3.284 121.998 118.700 0.024 0.000 2.294 18 N HA 0.083 4.829 4.740 0.009 0.000 0.263 18 N C -2.283 173.226 175.510 -0.001 0.000 1.281 18 N CA -0.526 52.523 53.050 -0.003 0.000 0.846 18 N CB 0.061 38.539 38.487 -0.014 0.000 1.061 18 N HN 0.465 nan 8.380 nan 0.000 0.478 19 P HA 0.019 nan 4.420 nan 0.000 0.271 19 P C -0.029 177.271 177.300 0.000 0.000 1.233 19 P CA -0.031 63.068 63.100 -0.002 0.000 0.764 19 P CB 0.518 32.215 31.700 -0.004 0.000 0.825 20 M N 1.044 120.648 119.600 0.006 0.000 2.249 20 M HA -0.156 4.329 4.480 0.009 0.000 0.198 20 M C 0.005 176.314 176.300 0.014 0.000 0.394 20 M CA 0.524 55.830 55.300 0.009 0.000 0.427 20 M CB -3.133 29.470 32.600 0.005 0.000 1.307 20 M HN 0.552 nan 8.290 nan 0.000 0.924 21 c N 0.005 118.618 118.600 0.023 0.000 2.787 21 c HA 0.705 5.280 4.570 0.009 0.000 0.265 21 c C 1.287 175.417 174.090 0.066 0.000 1.190 21 c CA -0.571 55.778 56.329 0.034 0.000 1.616 21 c CB -0.989 41.536 42.510 0.025 0.000 1.732 21 c HN 0.986 nan 8.230 nan 0.000 0.433 22 I N 1.750 122.353 120.570 0.055 0.000 2.741 22 I HA 0.088 4.264 4.170 0.009 0.000 0.288 22 I C 0.768 176.947 176.117 0.103 0.000 1.192 22 I CA 0.366 61.705 61.300 0.065 0.000 1.426 22 I CB -0.551 37.463 38.000 0.024 0.000 1.367 22 I HN 0.862 nan 8.210 nan 0.000 0.563 23 Y N 5.544 125.851 120.300 0.013 0.000 2.482 23 Y HA 0.360 4.916 4.550 0.009 0.000 0.270 23 Y C 1.285 177.200 175.900 0.025 0.000 1.152 23 Y CA -0.367 57.746 58.100 0.022 0.000 1.292 23 Y CB 0.048 38.525 38.460 0.027 0.000 1.070 23 Y HN 0.726 nan 8.280 nan 0.000 0.528 24 R N 1.543 121.847 120.500 -0.328 0.000 3.084 24 R HA -0.186 4.159 4.340 0.009 0.000 0.258 24 R C 0.124 176.064 176.300 -0.599 0.000 0.914 24 R CA 0.839 56.738 56.100 -0.336 0.000 0.646 24 R CB -2.116 28.057 30.300 -0.212 0.000 1.330 24 R HN 0.467 nan 8.270 nan 0.000 0.465 39 K N -0.990 119.448 120.400 0.063 0.000 2.469 39 K HA 1.136 5.462 4.320 0.009 0.000 0.268 39 K C -0.502 175.990 176.600 -0.179 0.000 1.027 39 K CA 0.014 56.269 56.287 -0.054 0.000 0.893 39 K CB 0.887 33.341 32.500 -0.077 0.000 1.460 39 K HN 2.430 nan 8.250 nan 0.000 0.449 40 I N 1.009 121.279 120.570 -0.500 0.000 2.465 40 I HA 0.750 4.925 4.170 0.009 0.000 0.291 40 I C -2.461 173.386 176.117 -0.450 0.000 1.014 40 I CA -2.633 58.122 61.300 -0.908 0.000 1.093 40 I CB 0.930 37.898 38.000 -1.721 0.000 1.267 40 I HN 0.676 nan 8.210 nan 0.000 0.431 41 P HA 0.408 nan 4.420 nan 0.000 0.264 41 P C 0.278 177.486 177.300 -0.153 0.000 1.179 41 P CA 0.802 63.819 63.100 -0.138 0.000 0.763 41 P CB 0.284 31.955 31.700 -0.048 0.000 0.806 42 E N 1.899 122.038 120.200 -0.101 0.000 2.360 42 E HA 0.419 4.774 4.350 0.009 0.000 0.269 42 E C 0.966 177.527 176.600 -0.066 0.000 1.022 42 E CA 0.012 56.359 56.400 -0.089 0.000 0.887 42 E CB -0.248 29.415 29.700 -0.062 0.000 0.990 42 E HN 0.775 nan 8.360 nan 0.000 0.426 43 A N 0.578 123.357 122.820 -0.068 0.000 3.061 43 A HA 0.110 4.436 4.320 0.009 0.000 0.244 43 A C 1.099 178.656 177.584 -0.045 0.000 1.357 43 A CA 1.970 53.979 52.037 -0.047 0.000 0.889 43 A CB -2.302 16.682 19.000 -0.026 0.000 1.092 43 A HN 2.276 nan 8.150 nan 0.000 0.694 44 T N -0.204 114.306 114.554 -0.072 0.000 2.927 44 T HA 0.613 4.969 4.350 0.009 0.000 0.281 44 T C 0.104 174.774 174.700 -0.049 0.000 0.998 44 T CA -0.058 62.010 62.100 -0.054 0.000 1.019 44 T CB 0.353 69.174 68.868 -0.077 0.000 1.061 44 T HN 0.580 nan 8.240 nan 0.000 0.518 45 N N 0.669 119.362 118.700 -0.012 0.000 2.411 45 N HA 0.097 4.842 4.740 0.009 0.000 0.259 45 N C 0.962 176.480 175.510 0.013 0.000 1.103 45 N CA -0.153 52.892 53.050 -0.009 0.000 0.954 45 N CB 1.042 39.522 38.487 -0.012 0.000 1.085 45 N HN 0.651 nan 8.380 nan 0.000 0.485 46 R N 3.658 124.152 120.500 -0.011 0.000 2.090 46 R HA -0.001 4.344 4.340 0.009 0.000 0.228 46 R C 2.179 178.490 176.300 0.018 0.000 1.110 46 R CA 1.119 57.224 56.100 0.008 0.000 0.973 46 R CB -0.057 30.225 30.300 -0.030 0.000 0.869 46 R HN 0.607 nan 8.270 nan 0.000 0.440 47 R N -0.018 120.469 120.500 -0.021 0.000 2.080 47 R HA -0.116 4.229 4.340 0.009 0.000 0.236 47 R C 1.817 177.883 176.300 -0.391 0.000 1.137 47 R CA 2.071 58.117 56.100 -0.090 0.000 0.943 47 R CB -0.244 30.088 30.300 0.053 0.000 0.846 47 R HN 0.311 nan 8.270 nan 0.000 0.431 48 V N -1.573 118.198 119.914 -0.238 0.000 3.623 48 V HA -0.033 4.093 4.120 0.009 0.000 0.271 48 V C 1.851 177.836 176.094 -0.182 0.000 1.248 48 V CA 0.398 62.521 62.300 -0.295 0.000 1.156 48 V CB -0.749 30.963 31.823 -0.185 0.000 0.870 48 V HN 0.475 nan 8.190 nan 0.000 0.453 49 W N 1.637 122.782 121.300 -0.259 0.000 2.317 49 W HA -0.179 4.486 4.660 0.008 0.000 0.318 49 W C 2.088 178.496 176.519 -0.184 0.000 1.227 49 W CA 2.179 59.416 57.345 -0.181 0.000 1.269 49 W CB -0.038 29.341 29.460 -0.134 0.000 1.155 49 W HN 0.334 nan 8.180 nan 0.000 0.484 50 E N 0.902 120.886 120.200 -0.361 0.000 2.070 50 E HA -0.275 4.081 4.350 0.009 0.000 0.197 50 E C 2.076 178.468 176.600 -0.346 0.000 1.004 50 E CA 1.793 57.947 56.400 -0.411 0.000 0.805 50 E CB -1.081 28.460 29.700 -0.265 0.000 0.744 50 E HN 0.381 nan 8.360 nan 0.000 0.451 51 L N 1.392 122.417 121.223 -0.329 0.000 2.083 51 L HA -0.160 4.185 4.340 0.009 0.000 0.209 51 L C 2.470 179.228 176.870 -0.187 0.000 1.083 51 L CA 2.105 56.834 54.840 -0.186 0.000 0.752 51 L CB -0.602 41.325 42.059 -0.220 0.000 0.899 51 L HN 0.108 nan 8.230 nan 0.000 0.433 52 S N -1.093 114.456 115.700 -0.252 0.000 2.382 52 S HA -0.223 4.253 4.470 0.009 0.000 0.228 52 S C 2.032 176.472 174.600 -0.267 0.000 1.027 52 S CA 1.153 59.226 58.200 -0.213 0.000 0.991 52 S CB -0.582 62.529 63.200 -0.149 0.000 0.823 52 S HN 0.527 nan 8.310 nan 0.000 0.469 53 K N 1.397 121.528 120.400 -0.448 0.000 2.057 53 K HA 0.072 4.397 4.320 0.009 0.000 0.206 53 K C 2.595 179.080 176.600 -0.191 0.000 1.050 53 K CA 1.163 57.205 56.287 -0.409 0.000 0.935 53 K CB -0.589 31.572 32.500 -0.565 0.000 0.715 53 K HN 0.530 nan 8.250 nan 0.000 0.439 54 A N 2.203 124.950 122.820 -0.120 0.000 1.873 54 A HA -0.185 4.140 4.320 0.009 0.000 0.215 54 A C 1.841 179.437 177.584 0.020 0.000 1.186 54 A CA 1.565 53.588 52.037 -0.022 0.000 0.616 54 A CB -0.474 18.573 19.000 0.079 0.000 0.823 54 A HN 0.236 nan 8.150 nan 0.000 0.442 55 N N 0.502 119.233 118.700 0.053 0.000 2.104 55 N HA -0.104 4.642 4.740 0.009 0.000 0.190 55 N C 1.927 177.506 175.510 0.114 0.000 1.024 55 N CA 1.719 54.849 53.050 0.133 0.000 0.853 55 N CB -0.566 37.994 38.487 0.122 0.000 1.008 55 N HN 0.427 nan 8.380 nan 0.000 0.424 56 S N 0.658 116.371 115.700 0.022 0.000 2.402 56 S HA 0.012 4.487 4.470 0.009 0.000 0.229 56 S C 1.885 176.485 174.600 0.001 0.000 1.021 56 S CA 0.677 58.881 58.200 0.006 0.000 0.974 56 S CB 0.083 63.258 63.200 -0.041 0.000 0.800 56 S HN 0.341 nan 8.310 nan 0.000 0.484 57 R N 0.115 120.611 120.500 -0.007 0.000 2.066 57 R HA -0.048 4.297 4.340 0.009 0.000 0.232 57 R C 2.106 178.421 176.300 0.024 0.000 1.131 57 R CA 1.486 57.584 56.100 -0.004 0.000 0.955 57 R CB -0.582 29.709 30.300 -0.015 0.000 0.851 57 R HN 0.427 nan 8.270 nan 0.000 0.432 58 F N 1.920 121.832 119.950 -0.065 0.000 2.043 58 F HA -0.281 4.252 4.527 0.009 0.000 0.297 58 F C 2.268 178.076 175.800 0.014 0.000 1.121 58 F CA 1.448 59.402 58.000 -0.076 0.000 1.199 58 F CB -0.837 38.099 39.000 -0.107 0.000 0.968 58 F HN 0.027 nan 8.300 nan 0.000 0.478 59 A N 0.198 122.839 122.820 -0.298 0.000 1.869 59 A HA -0.355 3.970 4.320 0.009 0.000 0.218 59 A C 2.355 179.868 177.584 -0.119 0.000 1.203 59 A CA 3.709 55.581 52.037 -0.275 0.000 0.638 59 A CB -1.863 17.119 19.000 -0.030 0.000 0.831 59 A HN 0.643 nan 8.150 nan 0.000 0.450 60 T N -3.217 111.327 114.554 -0.017 0.000 2.746 60 T HA -0.156 4.200 4.350 0.009 0.000 0.267 60 T C 1.809 176.547 174.700 0.063 0.000 1.039 60 T CA 2.348 64.490 62.100 0.070 0.000 1.142 60 T CB -1.204 67.699 68.868 0.057 0.000 0.866 60 T HN 0.392 nan 8.240 nan 0.000 0.444 61 T N 1.295 115.837 114.554 -0.020 0.000 2.674 61 T HA -0.004 4.351 4.350 0.009 0.000 0.265 61 T C 1.356 176.026 174.700 -0.050 0.000 1.039 61 T CA 1.519 63.603 62.100 -0.026 0.000 1.150 61 T CB -0.739 68.110 68.868 -0.032 0.000 0.864 61 T HN 0.435 nan 8.240 nan 0.000 0.427 62 F N 0.793 120.524 119.950 -0.364 0.000 2.069 62 F HA -0.163 4.368 4.527 0.008 0.000 0.298 62 F C 2.236 177.928 175.800 -0.179 0.000 1.113 62 F CA 1.228 58.989 58.000 -0.397 0.000 1.214 62 F CB -0.592 37.899 39.000 -0.849 0.000 0.978 62 F HN 0.154 nan 8.300 nan 0.000 0.474 63 Y N 1.403 121.686 120.300 -0.030 0.000 2.053 63 Y HA -0.359 4.196 4.550 0.008 0.000 0.277 63 Y C 2.603 178.473 175.900 -0.049 0.000 1.159 63 Y CA 2.507 60.598 58.100 -0.014 0.000 1.125 63 Y CB -0.984 37.484 38.460 0.013 0.000 0.969 63 Y HN 0.237 nan 8.280 nan 0.000 0.492 64 Q N -1.185 118.627 119.800 0.020 0.000 2.045 64 Q HA -0.327 4.018 4.340 0.009 0.000 0.206 64 Q C 2.305 178.220 176.000 -0.141 0.000 0.991 64 Q CA 1.809 57.583 55.803 -0.049 0.000 0.851 64 Q CB -0.604 28.157 28.738 0.038 0.000 0.911 64 Q HN 0.597 nan 8.270 nan 0.000 0.418 65 H N 0.866 119.792 119.070 -0.239 0.000 2.265 65 H HA -0.186 4.376 4.556 0.009 0.000 0.295 65 H C 2.164 177.298 175.328 -0.324 0.000 1.084 65 H CA 1.949 57.837 56.048 -0.267 0.000 1.261 65 H CB -0.415 29.162 29.762 -0.308 0.000 1.360 65 H HN 0.238 nan 8.280 nan 0.000 0.487 66 L N 0.967 122.051 121.223 -0.233 0.000 1.971 66 L HA -0.172 4.174 4.340 0.009 0.000 0.215 66 L C 2.782 179.513 176.870 -0.231 0.000 1.072 66 L CA 2.686 57.374 54.840 -0.254 0.000 0.758 66 L CB -1.281 40.578 42.059 -0.335 0.000 0.889 66 L HN 0.330 nan 8.230 nan 0.000 0.433 67 A N -0.794 121.775 122.820 -0.419 0.000 1.892 67 A HA -0.338 3.987 4.320 0.009 0.000 0.218 67 A C 2.126 179.599 177.584 -0.185 0.000 1.188 67 A CA 2.180 54.000 52.037 -0.361 0.000 0.631 67 A CB -1.288 17.393 19.000 -0.532 0.000 0.822 67 A HN 0.621 nan 8.150 nan 0.000 0.447 68 D N -0.303 119.995 120.400 -0.170 0.000 2.190 68 D HA -0.135 4.510 4.640 0.009 0.000 0.200 68 D C 2.164 178.395 176.300 -0.114 0.000 0.992 68 D CA 1.745 55.665 54.000 -0.133 0.000 0.854 68 D CB -0.053 40.648 40.800 -0.165 0.000 0.936 68 D HN 0.538 nan 8.370 nan 0.000 0.462 69 S N -1.686 113.953 115.700 -0.102 0.000 2.593 69 S HA 0.100 4.575 4.470 0.009 0.000 0.217 69 S C 0.779 175.351 174.600 -0.048 0.000 0.966 69 S CA -0.248 57.913 58.200 -0.065 0.000 0.914 69 S CB 0.231 63.414 63.200 -0.028 0.000 0.776 69 S HN -0.004 nan 8.310 nan 0.000 0.523 70 K N 1.678 122.044 120.400 -0.057 0.000 2.118 70 K HA 0.347 4.673 4.320 0.009 0.000 0.254 70 K C -0.607 175.972 176.600 -0.034 0.000 0.961 70 K CA -0.692 55.570 56.287 -0.043 0.000 0.876 70 K CB 0.928 33.401 32.500 -0.046 0.000 1.077 70 K HN 0.246 nan 8.250 nan 0.000 0.440 71 N N 0.774 119.460 118.700 -0.023 0.000 2.508 71 N HA -0.046 4.700 4.740 0.009 0.000 0.264 71 N C 0.211 175.716 175.510 -0.008 0.000 1.216 71 N CA 0.160 53.202 53.050 -0.014 0.000 0.943 71 N CB 0.767 39.248 38.487 -0.010 0.000 1.113 71 N HN 0.397 nan 8.380 nan 0.000 0.447 72 D N 0.945 121.346 120.400 0.001 0.000 2.218 72 D HA -0.122 4.523 4.640 0.009 0.000 0.204 72 D C 0.382 176.696 176.300 0.023 0.000 0.976 72 D CA 1.061 55.070 54.000 0.014 0.000 0.853 72 D CB -0.080 40.732 40.800 0.021 0.000 0.939 72 D HN 0.554 nan 8.370 nan 0.000 0.481 73 N N 1.057 119.769 118.700 0.019 0.000 2.398 73 N HA -0.027 4.718 4.740 0.009 0.000 0.188 73 N C -0.418 175.092 175.510 -0.000 0.000 1.122 73 N CA 0.310 53.374 53.050 0.023 0.000 0.866 73 N CB 0.524 39.025 38.487 0.025 0.000 0.970 73 N HN 0.170 nan 8.380 nan 0.000 0.462 74 D N 0.838 121.233 120.400 -0.008 0.000 2.177 74 D HA 0.208 4.854 4.640 0.009 0.000 0.247 74 D C -0.012 176.273 176.300 -0.025 0.000 1.063 74 D CA -0.256 53.732 54.000 -0.020 0.000 0.867 74 D CB 0.996 41.785 40.800 -0.018 0.000 1.168 74 D HN 0.016 nan 8.370 nan 0.000 0.445 75 N N 0.720 119.396 118.700 -0.041 0.000 2.503 75 N HA 0.387 5.132 4.740 0.009 0.000 0.267 75 N C -0.330 175.198 175.510 0.030 0.000 1.214 75 N CA -0.127 52.896 53.050 -0.046 0.000 0.959 75 N CB 1.272 39.708 38.487 -0.085 0.000 1.142 75 N HN 0.291 nan 8.380 nan 0.000 0.455 76 I N 1.344 121.973 120.570 0.099 0.000 2.608 76 I HA 0.472 4.647 4.170 0.009 0.000 0.295 76 I C -1.339 175.001 176.117 0.372 0.000 1.049 76 I CA -0.678 60.758 61.300 0.227 0.000 1.063 76 I CB 1.526 39.684 38.000 0.264 0.000 1.248 76 I HN 0.419 nan 8.210 nan 0.000 0.424 77 F N 7.538 127.649 119.950 0.269 0.000 2.622 77 F HA 0.743 5.281 4.527 0.019 0.000 0.318 77 F C -1.702 174.381 175.800 0.471 0.000 1.135 77 F CA -0.616 57.555 58.000 0.284 0.000 1.015 77 F CB 1.455 40.552 39.000 0.162 0.000 1.275 77 F HN 0.311 nan 8.300 nan 0.000 0.457 78 L N 2.012 123.066 121.223 -0.282 0.000 2.838 78 L HA 0.741 5.086 4.340 0.009 0.000 0.266 78 L C -1.699 175.144 176.870 -0.045 0.000 1.040 78 L CA -0.868 53.991 54.840 0.033 0.000 0.906 78 L CB 1.852 43.947 42.059 0.060 0.000 1.501 78 L HN 0.471 nan 8.230 nan 0.000 0.407 79 S N 0.495 116.325 115.700 0.218 0.000 2.532 79 S HA 0.588 5.063 4.470 0.009 0.000 0.318 79 S C -1.990 172.478 174.600 -0.219 0.000 1.083 79 S CA -1.431 56.685 58.200 -0.141 0.000 1.131 79 S CB 0.949 63.982 63.200 -0.277 0.000 0.973 79 S HN 0.627 nan 8.310 nan 0.000 0.468 80 P HA -0.088 nan 4.420 nan 0.000 0.216 80 P C 1.666 178.986 177.300 0.034 0.000 1.153 80 P CA 0.389 63.434 63.100 -0.093 0.000 0.848 80 P CB 0.048 31.705 31.700 -0.071 0.000 0.787 81 L N -0.140 121.080 121.223 -0.004 0.000 2.013 81 L HA -0.202 4.144 4.340 0.009 0.000 0.212 81 L C 2.486 179.396 176.870 0.067 0.000 1.073 81 L CA 2.335 57.214 54.840 0.065 0.000 0.753 81 L CB -1.672 40.387 42.059 -0.000 0.000 0.890 81 L HN -0.067 nan 8.230 nan 0.000 0.432 82 S N -0.694 114.977 115.700 -0.048 0.000 2.365 82 S HA -0.218 4.257 4.470 0.009 0.000 0.225 82 S C 2.040 176.576 174.600 -0.107 0.000 1.039 82 S CA 1.925 60.093 58.200 -0.052 0.000 1.033 82 S CB -0.536 62.626 63.200 -0.063 0.000 0.887 82 S HN 0.516 nan 8.310 nan 0.000 0.447 83 I N 0.915 121.373 120.570 -0.187 0.000 2.226 83 I HA -0.147 4.028 4.170 0.009 0.000 0.245 83 I C 2.608 178.723 176.117 -0.004 0.000 1.100 83 I CA 1.217 62.473 61.300 -0.073 0.000 1.374 83 I CB -0.400 37.541 38.000 -0.099 0.000 1.057 83 I HN 0.284 nan 8.210 nan 0.000 0.413 84 S N 0.134 115.847 115.700 0.020 0.000 2.356 84 S HA -0.171 4.304 4.470 0.009 0.000 0.223 84 S C 2.064 176.628 174.600 -0.059 0.000 1.032 84 S CA 1.961 60.139 58.200 -0.038 0.000 1.005 84 S CB -0.453 62.916 63.200 0.281 0.000 0.867 84 S HN 0.455 nan 8.310 nan 0.000 0.449 85 T N 2.736 117.279 114.554 -0.018 0.000 2.635 85 T HA -0.148 4.207 4.350 0.009 0.000 0.267 85 T C 2.154 176.555 174.700 -0.498 0.000 1.040 85 T CA 1.416 63.320 62.100 -0.326 0.000 1.156 85 T CB -0.709 68.169 68.868 0.017 0.000 0.863 85 T HN 0.471 nan 8.240 nan 0.000 0.430 86 A N 0.998 123.601 122.820 -0.361 0.000 1.873 86 A HA -0.087 4.238 4.320 0.009 0.000 0.218 86 A C 2.014 179.210 177.584 -0.647 0.000 1.193 86 A CA 1.693 53.442 52.037 -0.480 0.000 0.629 86 A CB -1.118 17.638 19.000 -0.406 0.000 0.826 86 A HN 0.491 nan 8.150 nan 0.000 0.447 87 F N -0.271 119.366 119.950 -0.522 0.000 2.407 87 F HA 0.070 4.602 4.527 0.008 0.000 0.299 87 F C 2.629 178.133 175.800 -0.493 0.000 1.097 87 F CA 0.766 58.411 58.000 -0.591 0.000 1.422 87 F CB -0.166 38.166 39.000 -1.112 0.000 1.067 87 F HN 0.265 nan 8.300 nan 0.000 0.539 88 A N -0.444 122.155 122.820 -0.367 0.000 1.970 88 A HA -0.115 4.211 4.320 0.009 0.000 0.216 88 A C 2.247 179.577 177.584 -0.423 0.000 1.170 88 A CA 1.002 52.824 52.037 -0.358 0.000 0.645 88 A CB -0.515 18.163 19.000 -0.537 0.000 0.816 88 A HN 0.292 nan 8.150 nan 0.000 0.447 89 M N -0.075 119.019 119.600 -0.844 0.000 2.156 89 M HA -0.102 4.383 4.480 0.009 0.000 0.264 89 M C 1.897 177.954 176.300 -0.404 0.000 1.067 89 M CA 2.185 56.890 55.300 -0.992 0.000 1.131 89 M CB -1.051 30.785 32.600 -1.273 0.000 1.368 89 M HN 0.400 nan 8.290 nan 0.000 0.416 90 T N 1.574 115.917 114.554 -0.351 0.000 2.788 90 T HA -0.169 4.186 4.350 0.009 0.000 0.268 90 T C 1.511 176.121 174.700 -0.150 0.000 1.044 90 T CA 1.974 63.968 62.100 -0.176 0.000 1.139 90 T CB -0.388 68.320 68.868 -0.268 0.000 0.867 90 T HN 0.589 nan 8.240 nan 0.000 0.454 91 K N 1.541 121.854 120.400 -0.146 0.000 2.515 91 K HA 0.079 4.405 4.320 0.009 0.000 0.196 91 K C 1.925 178.421 176.600 -0.173 0.000 1.038 91 K CA 0.727 56.947 56.287 -0.112 0.000 0.967 91 K CB -0.533 31.950 32.500 -0.028 0.000 0.780 91 K HN 0.278 nan 8.250 nan 0.000 0.483 92 L N 0.849 121.898 121.223 -0.291 0.000 2.042 92 L HA -0.102 4.244 4.340 0.009 0.000 0.210 92 L C 2.337 178.818 176.870 -0.648 0.000 1.076 92 L CA 1.516 56.110 54.840 -0.410 0.000 0.749 92 L CB -0.476 41.339 42.059 -0.406 0.000 0.893 92 L HN 0.553 nan 8.230 nan 0.000 0.432 93 G N -1.063 107.059 108.800 -1.130 0.000 3.233 93 G HA2 0.425 4.390 3.960 0.009 0.000 0.227 93 G HA3 0.425 4.390 3.960 0.009 0.000 0.227 93 G C 0.228 174.923 174.900 -0.343 0.000 1.175 93 G CA 0.366 44.953 45.100 -0.855 0.000 0.781 93 G HN 0.309 nan 8.290 nan 0.000 0.542 94 A N -1.005 121.673 122.820 -0.236 0.000 2.320 94 A HA 0.770 5.095 4.320 0.009 0.000 0.334 94 A C -0.711 176.837 177.584 -0.059 0.000 1.147 94 A CA -0.590 51.383 52.037 -0.107 0.000 0.820 94 A CB 1.591 20.550 19.000 -0.068 0.000 1.218 94 A HN 0.299 nan 8.150 nan 0.000 0.482 95 c N 0.426 119.011 118.600 -0.025 0.000 3.336 95 c HA 0.685 5.261 4.570 0.009 0.000 0.352 95 c C 0.700 174.800 174.090 0.018 0.000 1.567 95 c CA 0.096 56.424 56.329 -0.001 0.000 1.328 95 c CB 0.606 43.111 42.510 -0.009 0.000 1.922 95 c HN 1.258 nan 8.230 nan 0.000 0.439 96 N N 1.120 119.835 118.700 0.026 0.000 1.161 96 N HA -0.233 4.513 4.740 0.009 0.000 0.111 96 N C 0.042 175.575 175.510 0.039 0.000 0.779 96 N CA 1.684 54.751 53.050 0.028 0.000 0.845 96 N CB -0.636 37.862 38.487 0.018 0.000 1.034 96 N HN 0.807 nan 8.380 nan 0.000 0.629 97 D N -0.826 119.594 120.400 0.033 0.000 2.219 97 D HA -0.024 4.622 4.640 0.009 0.000 0.205 97 D C 1.608 177.935 176.300 0.046 0.000 0.970 97 D CA 1.556 55.579 54.000 0.039 0.000 0.851 97 D CB -0.568 40.250 40.800 0.031 0.000 0.943 97 D HN 0.461 nan 8.370 nan 0.000 0.488 98 T N 0.861 115.436 114.554 0.036 0.000 2.737 98 T HA -0.129 4.226 4.350 0.009 0.000 0.265 98 T C 1.842 176.571 174.700 0.048 0.000 1.038 98 T CA 0.472 62.589 62.100 0.028 0.000 1.144 98 T CB -0.269 68.603 68.868 0.007 0.000 0.866 98 T HN 0.054 nan 8.240 nan 0.000 0.434 99 L N 1.261 122.516 121.223 0.053 0.000 2.046 99 L HA -0.041 4.305 4.340 0.009 0.000 0.208 99 L C 2.501 179.454 176.870 0.138 0.000 1.077 99 L CA 1.790 56.678 54.840 0.080 0.000 0.747 99 L CB -0.916 41.185 42.059 0.070 0.000 0.896 99 L HN 0.114 nan 8.230 nan 0.000 0.432 100 Q N -0.446 119.438 119.800 0.141 0.000 2.050 100 Q HA -0.239 4.106 4.340 0.009 0.000 0.202 100 Q C 2.261 178.355 176.000 0.156 0.000 0.980 100 Q CA 2.048 57.955 55.803 0.174 0.000 0.840 100 Q CB -0.240 28.564 28.738 0.109 0.000 0.898 100 Q HN 0.649 nan 8.270 nan 0.000 0.424 101 Q N -0.524 119.342 119.800 0.110 0.000 2.050 101 Q HA -0.149 4.197 4.340 0.009 0.000 0.202 101 Q C 2.193 178.264 176.000 0.119 0.000 0.980 101 Q CA 1.534 57.393 55.803 0.092 0.000 0.840 101 Q CB -0.195 28.584 28.738 0.069 0.000 0.898 101 Q HN 0.348 nan 8.270 nan 0.000 0.424 102 L N -0.080 121.240 121.223 0.161 0.000 1.971 102 L HA -0.282 4.063 4.340 0.009 0.000 0.215 102 L C 2.532 179.599 176.870 0.329 0.000 1.072 102 L CA 1.155 56.155 54.840 0.268 0.000 0.758 102 L CB -0.526 41.668 42.059 0.224 0.000 0.889 102 L HN 0.344 nan 8.230 nan 0.000 0.433 103 M N -0.650 119.122 119.600 0.286 0.000 2.082 103 M HA -0.266 4.220 4.480 0.009 0.000 0.258 103 M C 2.224 178.657 176.300 0.221 0.000 1.071 103 M CA 1.901 57.387 55.300 0.310 0.000 1.103 103 M CB -1.337 31.406 32.600 0.238 0.000 1.307 103 M HN 0.291 nan 8.290 nan 0.000 0.409 104 E N -0.053 120.255 120.200 0.181 0.000 2.058 104 E HA -0.162 4.194 4.350 0.009 0.000 0.194 104 E C 2.141 178.739 176.600 -0.003 0.000 0.997 104 E CA 1.490 57.949 56.400 0.098 0.000 0.801 104 E CB -0.177 29.573 29.700 0.085 0.000 0.746 104 E HN 0.265 nan 8.360 nan 0.000 0.450 105 V N 0.287 120.162 119.914 -0.065 0.000 2.427 105 V HA -0.199 3.927 4.120 0.009 0.000 0.248 105 V C 1.450 177.213 176.094 -0.552 0.000 1.051 105 V CA 1.467 63.605 62.300 -0.270 0.000 1.048 105 V CB -0.337 31.272 31.823 -0.357 0.000 0.666 105 V HN 0.205 nan 8.190 nan 0.000 0.456 106 F N 0.047 119.768 119.950 -0.382 0.000 2.692 106 F HA 0.273 4.805 4.527 0.008 0.000 0.303 106 F C 1.067 176.432 175.800 -0.724 0.000 1.114 106 F CA -0.425 57.104 58.000 -0.785 0.000 1.361 106 F CB -0.007 38.248 39.000 -1.241 0.000 1.063 106 F HN -0.023 nan 8.300 nan 0.000 0.550 107 K N -0.833 119.425 120.400 -0.236 0.000 3.035 107 K HA -0.248 4.077 4.320 0.009 0.000 0.262 107 K C 0.358 176.938 176.600 -0.033 0.000 1.024 107 K CA 0.525 56.757 56.287 -0.093 0.000 0.748 107 K CB -2.857 29.620 32.500 -0.038 0.000 1.247 107 K HN 0.294 nan 8.250 nan 0.000 0.482 108 F N 1.016 121.021 119.950 0.092 0.000 2.615 108 F HA -0.034 4.498 4.527 0.009 0.000 0.297 108 F C 2.181 177.987 175.800 0.010 0.000 1.124 108 F CA 0.895 58.919 58.000 0.039 0.000 1.451 108 F CB -0.184 38.819 39.000 0.005 0.000 1.103 108 F HN 0.222 nan 8.300 nan 0.000 0.569 109 D N -0.332 120.215 120.400 0.245 0.000 2.218 109 D HA -0.162 4.484 4.640 0.009 0.000 0.204 109 D C 1.483 177.914 176.300 0.219 0.000 0.976 109 D CA 1.646 55.831 54.000 0.308 0.000 0.853 109 D CB -1.302 39.717 40.800 0.364 0.000 0.939 109 D HN 0.331 nan 8.370 nan 0.000 0.481 110 T N -1.991 112.647 114.554 0.140 0.000 3.366 110 T HA 0.285 4.641 4.350 0.009 0.000 0.249 110 T C 1.731 176.472 174.700 0.067 0.000 1.028 110 T CA -0.452 61.700 62.100 0.086 0.000 0.938 110 T CB -0.687 68.206 68.868 0.042 0.000 1.046 110 T HN 0.118 nan 8.240 nan 0.000 0.587 111 I N 1.338 121.967 120.570 0.099 0.000 2.404 111 I HA 0.022 4.197 4.170 0.009 0.000 0.231 111 I C 2.322 178.478 176.117 0.066 0.000 1.064 111 I CA 1.129 62.475 61.300 0.076 0.000 1.383 111 I CB -0.005 38.068 38.000 0.123 0.000 1.171 111 I HN 0.536 nan 8.210 nan 0.000 0.422 112 S N -2.350 113.409 115.700 0.099 0.000 2.583 112 S HA 0.348 4.824 4.470 0.009 0.000 0.264 112 S C 0.628 175.286 174.600 0.097 0.000 1.008 112 S CA 0.619 58.873 58.200 0.089 0.000 1.435 112 S CB 0.929 64.187 63.200 0.097 0.000 1.236 112 S HN 0.498 nan 8.310 nan 0.000 0.669 113 E N -0.139 120.133 120.200 0.120 0.000 4.244 113 E HA -0.135 4.220 4.350 0.009 0.000 0.410 113 E C 0.837 177.510 176.600 0.122 0.000 0.548 113 E CA 1.576 58.050 56.400 0.123 0.000 1.450 113 E CB -2.692 27.061 29.700 0.088 0.000 1.911 113 E HN 1.618 nan 8.360 nan 0.000 0.350 114 K N 0.587 121.057 120.400 0.118 0.000 2.570 114 K HA 0.533 4.859 4.320 0.009 0.000 0.210 114 K C 0.887 177.549 176.600 0.104 0.000 1.048 114 K CA 0.807 57.158 56.287 0.107 0.000 1.167 114 K CB -0.376 32.196 32.500 0.120 0.000 0.892 114 K HN 0.662 nan 8.250 nan 0.000 0.480 115 T N 1.280 115.892 114.554 0.096 0.000 3.414 115 T HA 0.170 4.525 4.350 0.009 0.000 0.304 115 T C 0.317 175.003 174.700 -0.023 0.000 1.241 115 T CA 0.169 62.276 62.100 0.012 0.000 1.076 115 T CB 0.292 69.139 68.868 -0.035 0.000 1.134 115 T HN 0.276 nan 8.240 nan 0.000 0.759 116 S N 3.081 118.753 115.700 -0.046 0.000 2.499 116 S HA 0.211 4.687 4.470 0.009 0.000 0.238 116 S C -0.231 174.318 174.600 -0.086 0.000 1.205 116 S CA -0.630 57.552 58.200 -0.031 0.000 1.203 116 S CB -0.434 62.759 63.200 -0.012 0.000 0.954 116 S HN 0.642 nan 8.310 nan 0.000 0.484 117 D N 0.548 120.857 120.400 -0.152 0.000 2.716 117 D HA -0.150 4.495 4.640 0.009 0.000 0.239 117 D C 0.670 176.830 176.300 -0.232 0.000 1.125 117 D CA 1.361 55.236 54.000 -0.209 0.000 0.681 117 D CB -1.502 39.253 40.800 -0.075 0.000 1.070 117 D HN 0.708 nan 8.370 nan 0.000 0.432 118 Q N -0.666 118.949 119.800 -0.308 0.000 2.247 118 Q HA 0.365 4.711 4.340 0.009 0.000 0.211 118 Q C 2.163 177.790 176.000 -0.623 0.000 0.861 118 Q CA 0.374 55.904 55.803 -0.456 0.000 0.949 118 Q CB -0.107 28.312 28.738 -0.532 0.000 1.115 118 Q HN 0.570 nan 8.270 nan 0.000 0.507 119 I N 0.541 120.871 120.570 -0.400 0.000 2.226 119 I HA -0.233 3.943 4.170 0.009 0.000 0.245 119 I C 2.345 178.412 176.117 -0.084 0.000 1.100 119 I CA 1.273 62.431 61.300 -0.235 0.000 1.374 119 I CB -0.353 37.358 38.000 -0.482 0.000 1.057 119 I HN 0.478 nan 8.210 nan 0.000 0.413 120 H N 0.322 119.401 119.070 0.014 0.000 2.319 120 H HA -0.219 4.343 4.556 0.009 0.000 0.299 120 H C 2.131 177.454 175.328 -0.009 0.000 1.092 120 H CA 1.713 57.778 56.048 0.028 0.000 1.302 120 H CB -0.984 28.788 29.762 0.015 0.000 1.373 120 H HN 0.304 nan 8.280 nan 0.000 0.497 121 F N 1.646 121.527 119.950 -0.116 0.000 2.095 121 F HA -0.230 4.303 4.527 0.010 0.000 0.298 121 F C 2.107 177.860 175.800 -0.079 0.000 1.104 121 F CA 1.068 58.970 58.000 -0.163 0.000 1.232 121 F CB -0.642 38.175 39.000 -0.305 0.000 0.987 121 F HN -0.100 nan 8.300 nan 0.000 0.475 122 F N -0.559 119.299 119.950 -0.154 0.000 2.134 122 F HA -0.157 4.375 4.527 0.009 0.000 0.299 122 F C 2.326 177.945 175.800 -0.302 0.000 1.097 122 F CA 1.042 58.868 58.000 -0.290 0.000 1.264 122 F CB -1.815 37.072 39.000 -0.188 0.000 1.001 122 F HN -0.051 nan 8.300 nan 0.000 0.479 123 F N 0.354 120.300 119.950 -0.007 0.000 2.161 123 F HA -0.167 4.365 4.527 0.008 0.000 0.300 123 F C 2.469 178.159 175.800 -0.184 0.000 1.089 123 F CA 1.063 59.024 58.000 -0.064 0.000 1.282 123 F CB -1.076 37.896 39.000 -0.046 0.000 1.010 123 F HN -0.038 nan 8.300 nan 0.000 0.485 124 A N 0.148 122.915 122.820 -0.088 0.000 1.865 124 A HA -0.216 4.109 4.320 0.009 0.000 0.217 124 A C 2.356 179.855 177.584 -0.142 0.000 1.191 124 A CA 1.727 53.677 52.037 -0.145 0.000 0.623 124 A CB -0.531 18.380 19.000 -0.150 0.000 0.826 124 A HN 0.146 nan 8.150 nan 0.000 0.444 125 K N -0.653 119.592 120.400 -0.258 0.000 2.063 125 K HA -0.122 4.204 4.320 0.009 0.000 0.208 125 K C 1.892 178.418 176.600 -0.122 0.000 1.048 125 K CA 1.306 57.464 56.287 -0.214 0.000 0.928 125 K CB -0.905 31.403 32.500 -0.321 0.000 0.713 125 K HN 0.449 nan 8.250 nan 0.000 0.442 126 L N 1.784 122.939 121.223 -0.114 0.000 2.056 126 L HA -0.122 4.223 4.340 0.009 0.000 0.207 126 L C 1.545 178.390 176.870 -0.042 0.000 1.078 126 L CA 1.662 56.443 54.840 -0.099 0.000 0.749 126 L CB -0.441 41.513 42.059 -0.175 0.000 0.901 126 L HN 0.229 nan 8.230 nan 0.000 0.433 127 N N -1.745 116.993 118.700 0.063 0.000 2.244 127 N HA -0.214 4.531 4.740 0.009 0.000 0.183 127 N C 2.038 177.620 175.510 0.121 0.000 1.016 127 N CA 1.122 54.277 53.050 0.175 0.000 0.866 127 N CB -0.362 38.303 38.487 0.296 0.000 0.980 127 N HN 0.546 nan 8.380 nan 0.000 0.430 128 c N 1.404 120.029 118.600 0.041 0.000 2.446 128 c HA 0.065 4.641 4.570 0.009 0.000 0.277 128 c C 2.651 176.745 174.090 0.007 0.000 1.275 128 c CA 0.664 57.013 56.329 0.033 0.000 1.727 128 c CB -0.932 41.580 42.510 0.002 0.000 2.010 128 c HN 0.336 nan 8.230 nan 0.000 0.486 129 R N 0.445 120.923 120.500 -0.037 0.000 2.062 129 R HA 0.038 4.383 4.340 0.009 0.000 0.229 129 R C 2.311 178.546 176.300 -0.108 0.000 1.128 129 R CA 1.537 57.605 56.100 -0.053 0.000 0.960 129 R CB -0.940 29.326 30.300 -0.057 0.000 0.855 129 R HN 0.631 nan 8.270 nan 0.000 0.432 130 L N -0.055 121.028 121.223 -0.233 0.000 1.971 130 L HA -0.200 4.146 4.340 0.009 0.000 0.215 130 L C 0.398 176.984 176.870 -0.472 0.000 1.072 130 L CA 1.410 55.961 54.840 -0.483 0.000 0.758 130 L CB -0.391 41.121 42.059 -0.912 0.000 0.889 130 L HN 0.127 nan 8.230 nan 0.000 0.433 131 Y N 0.623 120.961 120.300 0.063 0.000 2.700 131 Y HA 0.384 4.939 4.550 0.008 0.000 0.333 131 Y C 0.414 176.346 175.900 0.052 0.000 1.036 131 Y CA -0.911 57.230 58.100 0.067 0.000 1.287 131 Y CB -0.149 38.356 38.460 0.075 0.000 1.132 131 Y HN 0.152 nan 8.280 nan 0.000 0.510 132 R N -0.285 120.292 120.500 0.128 0.000 3.018 132 R HA 1.023 5.368 4.340 0.009 0.000 0.243 132 R C -0.971 175.382 176.300 0.088 0.000 1.315 132 R CA -1.330 54.825 56.100 0.090 0.000 1.039 132 R CB 0.817 31.148 30.300 0.052 0.000 1.315 132 R HN 0.220 nan 8.270 nan 0.000 0.492 133 K N -0.108 120.331 120.400 0.065 0.000 2.426 133 K HA 0.859 5.185 4.320 0.009 0.000 0.251 133 K C -1.019 175.608 176.600 0.044 0.000 0.941 133 K CA -0.285 56.036 56.287 0.057 0.000 0.808 133 K CB 2.024 34.555 32.500 0.052 0.000 1.265 133 K HN 1.012 nan 8.250 nan 0.000 0.432 134 A N 0.129 122.973 122.820 0.039 0.000 3.287 134 A HA 0.553 4.879 4.320 0.009 0.000 0.299 134 A C -0.714 176.887 177.584 0.029 0.000 1.086 134 A CA 0.010 52.066 52.037 0.033 0.000 0.586 134 A CB 0.300 19.320 19.000 0.034 0.000 1.539 134 A HN 0.604 nan 8.150 nan 0.000 0.694 135 N N 0.586 119.302 118.700 0.027 0.000 2.320 135 N HA 0.115 4.861 4.740 0.009 0.000 0.237 135 N C -0.560 174.966 175.510 0.027 0.000 1.129 135 N CA 0.101 53.165 53.050 0.024 0.000 0.854 135 N CB -0.143 38.357 38.487 0.022 0.000 1.083 135 N HN 0.618 nan 8.380 nan 0.000 0.504 136 K N -0.872 119.546 120.400 0.031 0.000 2.118 136 K HA 0.388 4.714 4.320 0.009 0.000 0.267 136 K C 0.795 177.411 176.600 0.027 0.000 0.991 136 K CA -0.596 55.713 56.287 0.036 0.000 0.916 136 K CB 1.491 34.018 32.500 0.045 0.000 1.041 136 K HN -0.270 nan 8.250 nan 0.000 0.455 137 S N 1.093 116.810 115.700 0.028 0.000 2.355 137 S HA -0.085 4.391 4.470 0.009 0.000 0.222 137 S C 0.467 175.047 174.600 -0.033 0.000 1.031 137 S CA 0.582 58.784 58.200 0.004 0.000 0.993 137 S CB -0.095 63.118 63.200 0.021 0.000 0.859 137 S HN 0.659 nan 8.310 nan 0.000 0.453 138 S N 2.256 117.955 115.700 -0.002 0.000 2.498 138 S HA 0.178 4.653 4.470 0.009 0.000 0.281 138 S C -0.136 174.463 174.600 -0.003 0.000 1.265 138 S CA -0.095 58.090 58.200 -0.024 0.000 1.071 138 S CB 0.367 63.640 63.200 0.122 0.000 0.894 138 S HN 0.196 nan 8.310 nan 0.000 0.491 139 K N 3.055 123.406 120.400 -0.081 0.000 2.323 139 K HA 0.495 4.820 4.320 0.009 0.000 0.259 139 K C -0.964 175.692 176.600 0.094 0.000 0.947 139 K CA -0.714 55.573 56.287 0.001 0.000 0.819 139 K CB 1.569 34.045 32.500 -0.040 0.000 1.109 139 K HN 0.438 nan 8.250 nan 0.000 0.429 140 L N 3.029 124.378 121.223 0.210 0.000 2.342 140 L HA 0.500 4.846 4.340 0.009 0.000 0.276 140 L C -0.908 176.210 176.870 0.413 0.000 0.997 140 L CA -0.593 54.451 54.840 0.341 0.000 0.838 140 L CB 1.754 43.996 42.059 0.305 0.000 1.224 140 L HN 0.500 nan 8.230 nan 0.000 0.416 141 V N 3.140 123.270 119.914 0.360 0.000 2.398 141 V HA 0.507 4.632 4.120 0.009 0.000 0.286 141 V C 0.229 176.399 176.094 0.127 0.000 1.026 141 V CA -0.498 61.946 62.300 0.240 0.000 0.868 141 V CB 1.749 33.699 31.823 0.211 0.000 0.982 141 V HN 0.777 nan 8.190 nan 0.000 0.443 142 S N 4.251 119.827 115.700 -0.206 0.000 2.457 142 S HA 0.742 5.218 4.470 0.009 0.000 0.289 142 S C -0.114 174.397 174.600 -0.148 0.000 1.163 142 S CA -0.186 57.805 58.200 -0.347 0.000 1.078 142 S CB 0.928 63.503 63.200 -1.041 0.000 0.987 142 S HN 1.089 nan 8.310 nan 0.000 0.482 143 A N 4.678 127.469 122.820 -0.049 0.000 2.360 143 A HA 0.608 4.933 4.320 0.009 0.000 0.309 143 A C -0.496 177.203 177.584 0.192 0.000 1.311 143 A CA -0.801 51.237 52.037 0.002 0.000 0.805 143 A CB 0.151 18.939 19.000 -0.353 0.000 1.144 143 A HN 0.827 nan 8.150 nan 0.000 0.486 144 N N 1.784 120.631 118.700 0.246 0.000 2.577 144 N HA 0.429 5.175 4.740 0.009 0.000 0.275 144 N C -0.984 174.515 175.510 -0.018 0.000 1.091 144 N CA -0.270 52.833 53.050 0.088 0.000 0.843 144 N CB 0.896 39.359 38.487 -0.040 0.000 1.295 144 N HN 0.660 nan 8.380 nan 0.000 0.530 145 R N 2.692 123.144 120.500 -0.080 0.000 2.725 145 R HA 0.629 4.975 4.340 0.009 0.000 0.277 145 R C -1.842 174.144 176.300 -0.524 0.000 0.987 145 R CA -0.900 54.913 56.100 -0.477 0.000 0.901 145 R CB 1.127 30.856 30.300 -0.952 0.000 1.207 145 R HN 0.444 nan 8.270 nan 0.000 0.463 146 L N 4.148 124.971 121.223 -0.665 0.000 2.325 146 L HA 0.533 4.879 4.340 0.009 0.000 0.281 146 L C -1.775 174.771 176.870 -0.540 0.000 1.004 146 L CA -0.114 54.452 54.840 -0.458 0.000 0.823 146 L CB 1.163 43.000 42.059 -0.370 0.000 1.236 146 L HN 0.519 nan 8.230 nan 0.000 0.415 147 F N 3.661 123.602 119.950 -0.016 0.000 2.411 147 F HA 0.733 5.266 4.527 0.008 0.000 0.352 147 F C 1.006 176.955 175.800 0.249 0.000 1.123 147 F CA -0.447 57.586 58.000 0.056 0.000 1.044 147 F CB 1.754 40.840 39.000 0.143 0.000 1.135 147 F HN 0.589 nan 8.300 nan 0.000 0.461 148 G N 1.652 110.691 108.800 0.398 0.000 2.432 148 G HA2 0.379 4.345 3.960 0.009 0.000 0.331 148 G HA3 0.379 4.345 3.960 0.009 0.000 0.331 148 G C -1.522 173.435 174.900 0.094 0.000 1.170 148 G CA -0.675 44.640 45.100 0.358 0.000 0.943 148 G HN 0.580 nan 8.290 nan 0.000 0.483 149 D N -0.010 120.475 120.400 0.143 0.000 2.400 149 D HA 0.080 4.726 4.640 0.009 0.000 0.238 149 D C 1.531 177.796 176.300 -0.058 0.000 1.157 149 D CA -0.019 53.976 54.000 -0.007 0.000 0.889 149 D CB 0.924 41.844 40.800 0.201 0.000 1.199 149 D HN 0.293 nan 8.370 nan 0.000 0.436 150 K N 0.589 120.933 120.400 -0.093 0.000 2.160 150 K HA -0.177 4.149 4.320 0.009 0.000 0.206 150 K C 2.045 178.617 176.600 -0.046 0.000 1.047 150 K CA 1.462 57.711 56.287 -0.064 0.000 0.930 150 K CB -0.139 32.322 32.500 -0.066 0.000 0.720 150 K HN 0.534 nan 8.250 nan 0.000 0.450 151 S N 1.042 116.722 115.700 -0.035 0.000 2.419 151 S HA -0.124 4.351 4.470 0.009 0.000 0.235 151 S C 0.859 175.419 174.600 -0.067 0.000 1.019 151 S CA 0.576 58.756 58.200 -0.034 0.000 0.982 151 S CB -0.769 62.424 63.200 -0.011 0.000 0.789 151 S HN 0.166 nan 8.310 nan 0.000 0.490 152 L N 1.265 122.423 121.223 -0.109 0.000 2.395 152 L HA 0.518 4.864 4.340 0.009 0.000 0.269 152 L C -0.103 176.605 176.870 -0.270 0.000 1.133 152 L CA -0.507 54.200 54.840 -0.221 0.000 0.812 152 L CB 0.611 42.462 42.059 -0.347 0.000 1.125 152 L HN -0.052 nan 8.230 nan 0.000 0.452 153 T N 1.373 115.744 114.554 -0.304 0.000 2.841 153 T HA 0.589 4.944 4.350 0.009 0.000 0.283 153 T C -0.657 173.855 174.700 -0.314 0.000 1.000 153 T CA -0.282 61.694 62.100 -0.206 0.000 0.977 153 T CB 0.994 69.809 68.868 -0.087 0.000 0.979 153 T HN 0.158 nan 8.240 nan 0.000 0.446 154 F N 2.693 122.610 119.950 -0.056 0.000 2.420 154 F HA 0.374 4.907 4.527 0.009 0.000 0.342 154 F C 1.142 176.936 175.800 -0.009 0.000 1.113 154 F CA -1.037 56.929 58.000 -0.056 0.000 1.059 154 F CB 0.890 39.754 39.000 -0.227 0.000 1.128 154 F HN 0.436 nan 8.300 nan 0.000 0.475 155 N N 2.889 121.735 118.700 0.243 0.000 2.329 155 N HA -0.101 4.645 4.740 0.009 0.000 0.237 155 N C 1.140 176.733 175.510 0.137 0.000 1.258 155 N CA 0.192 53.340 53.050 0.165 0.000 0.866 155 N CB 0.795 39.386 38.487 0.173 0.000 1.102 155 N HN 0.741 nan 8.380 nan 0.000 0.440 156 E N 1.811 122.057 120.200 0.077 0.000 2.072 156 E HA -0.138 4.217 4.350 0.009 0.000 0.191 156 E C 1.373 177.999 176.600 0.043 0.000 0.985 156 E CA 1.503 57.928 56.400 0.043 0.000 0.801 156 E CB -0.850 28.864 29.700 0.023 0.000 0.750 156 E HN 0.616 nan 8.360 nan 0.000 0.452 157 T N 0.994 115.583 114.554 0.057 0.000 2.821 157 T HA -0.152 4.204 4.350 0.009 0.000 0.267 157 T C 1.557 176.313 174.700 0.095 0.000 1.046 157 T CA 1.174 63.304 62.100 0.050 0.000 1.139 157 T CB -0.464 68.423 68.868 0.031 0.000 0.871 157 T HN 0.171 nan 8.240 nan 0.000 0.454 158 Y N 2.429 122.708 120.300 -0.036 0.000 2.145 158 Y HA -0.158 4.397 4.550 0.009 0.000 0.286 158 Y C 2.402 178.251 175.900 -0.085 0.000 1.145 158 Y CA 1.125 59.193 58.100 -0.054 0.000 1.148 158 Y CB -0.881 37.579 38.460 -0.001 0.000 0.981 158 Y HN 0.325 nan 8.280 nan 0.000 0.507 159 Q N -0.413 119.364 119.800 -0.038 0.000 2.050 159 Q HA -0.199 4.147 4.340 0.009 0.000 0.202 159 Q C 1.864 177.804 176.000 -0.101 0.000 0.980 159 Q CA 1.672 57.374 55.803 -0.169 0.000 0.840 159 Q CB -0.214 28.442 28.738 -0.136 0.000 0.898 159 Q HN 0.396 nan 8.270 nan 0.000 0.424 160 D N 0.502 120.877 120.400 -0.040 0.000 2.097 160 D HA -0.139 4.507 4.640 0.009 0.000 0.195 160 D C 1.872 178.157 176.300 -0.025 0.000 0.989 160 D CA 0.943 54.924 54.000 -0.031 0.000 0.827 160 D CB -0.110 40.682 40.800 -0.013 0.000 0.966 160 D HN 0.145 nan 8.370 nan 0.000 0.456 161 I N 0.891 121.455 120.570 -0.010 0.000 2.226 161 I HA -0.184 3.991 4.170 0.009 0.000 0.245 161 I C 2.323 178.452 176.117 0.020 0.000 1.100 161 I CA 0.885 62.176 61.300 -0.016 0.000 1.374 161 I CB -1.180 36.787 38.000 -0.054 0.000 1.057 161 I HN -0.094 nan 8.210 nan 0.000 0.413 162 S N 0.406 116.124 115.700 0.030 0.000 2.353 162 S HA -0.254 4.221 4.470 0.009 0.000 0.222 162 S C 1.942 176.555 174.600 0.022 0.000 1.035 162 S CA 1.601 59.832 58.200 0.051 0.000 1.025 162 S CB -0.327 62.785 63.200 -0.146 0.000 0.902 162 S HN 0.465 nan 8.310 nan 0.000 0.440 163 E N 0.357 120.525 120.200 -0.053 0.000 2.023 163 E HA -0.203 4.152 4.350 0.009 0.000 0.196 163 E C 2.134 178.715 176.600 -0.031 0.000 1.003 163 E CA 1.341 57.707 56.400 -0.055 0.000 0.809 163 E CB -0.186 29.472 29.700 -0.070 0.000 0.755 163 E HN 0.290 nan 8.360 nan 0.000 0.449 164 L N 0.159 121.362 121.223 -0.032 0.000 1.988 164 L HA -0.143 4.202 4.340 0.009 0.000 0.207 164 L C 2.291 179.121 176.870 -0.067 0.000 1.071 164 L CA 1.455 56.275 54.840 -0.035 0.000 0.744 164 L CB -0.525 41.519 42.059 -0.025 0.000 0.893 164 L HN 0.035 nan 8.230 nan 0.000 0.433 165 V N -1.247 118.590 119.914 -0.128 0.000 2.323 165 V HA -0.259 3.867 4.120 0.009 0.000 0.244 165 V C 1.981 177.801 176.094 -0.456 0.000 1.041 165 V CA 1.915 64.017 62.300 -0.330 0.000 1.025 165 V CB -0.692 30.810 31.823 -0.535 0.000 0.656 165 V HN 0.480 nan 8.190 nan 0.000 0.451 166 Y N -0.137 120.140 120.300 -0.037 0.000 2.462 166 Y HA 0.471 5.026 4.550 0.009 0.000 0.253 166 Y C 1.930 177.791 175.900 -0.065 0.000 1.095 166 Y CA 0.281 58.348 58.100 -0.055 0.000 1.283 166 Y CB 0.014 38.392 38.460 -0.136 0.000 1.138 166 Y HN 0.299 nan 8.280 nan 0.000 0.522 167 G N 0.862 109.687 108.800 0.043 0.000 2.198 167 G HA2 -0.160 3.805 3.960 0.009 0.000 0.260 167 G HA3 -0.160 3.805 3.960 0.009 0.000 0.260 167 G C 0.096 174.982 174.900 -0.023 0.000 1.025 167 G CA 0.206 45.307 45.100 0.001 0.000 0.769 167 G HN 0.623 nan 8.290 nan 0.000 0.507 168 A N -0.379 122.415 122.820 -0.043 0.000 2.317 168 A HA 0.783 5.109 4.320 0.009 0.000 0.327 168 A C 0.274 177.711 177.584 -0.245 0.000 1.178 168 A CA -0.438 51.514 52.037 -0.140 0.000 0.817 168 A CB 1.138 20.037 19.000 -0.168 0.000 1.189 168 A HN 0.322 nan 8.150 nan 0.000 0.489 169 K N 2.322 122.512 120.400 -0.350 0.000 2.182 169 K HA 0.543 4.869 4.320 0.009 0.000 0.262 169 K C -1.240 174.979 176.600 -0.635 0.000 0.957 169 K CA -0.485 55.540 56.287 -0.436 0.000 0.842 169 K CB 0.902 33.161 32.500 -0.402 0.000 1.099 169 K HN 0.706 nan 8.250 nan 0.000 0.438 170 L N 4.781 125.555 121.223 -0.748 0.000 2.302 170 L HA 0.220 4.565 4.340 0.009 0.000 0.285 170 L C 0.341 176.694 176.870 -0.863 0.000 1.090 170 L CA -0.479 53.667 54.840 -1.158 0.000 0.866 170 L CB 0.694 41.619 42.059 -1.889 0.000 1.244 170 L HN 0.342 nan 8.230 nan 0.000 0.435 171 Q N 4.524 123.924 119.800 -0.666 0.000 2.314 171 Q HA 0.299 4.645 4.340 0.009 0.000 0.257 171 Q C -2.294 173.647 176.000 -0.099 0.000 0.975 171 Q CA -1.747 53.834 55.803 -0.370 0.000 0.933 171 Q CB 1.720 30.217 28.738 -0.402 0.000 1.195 171 Q HN 0.259 nan 8.270 nan 0.000 0.426 172 P HA 0.202 nan 4.420 nan 0.000 0.276 172 P C -0.632 176.595 177.300 -0.120 0.000 1.253 172 P CA 0.193 63.277 63.100 -0.027 0.000 0.766 172 P CB 0.548 32.235 31.700 -0.022 0.000 0.845 173 L N 2.531 123.592 121.223 -0.271 0.000 2.388 173 L HA 0.395 4.740 4.340 0.009 0.000 0.264 173 L C 0.001 176.566 176.870 -0.509 0.000 0.998 173 L CA -0.942 53.644 54.840 -0.423 0.000 0.817 173 L CB 2.488 44.141 42.059 -0.677 0.000 1.338 173 L HN 0.193 nan 8.230 nan 0.000 0.414 174 D N 1.018 121.230 120.400 -0.313 0.000 2.402 174 D HA 0.156 4.801 4.640 0.009 0.000 0.235 174 D C 0.365 176.602 176.300 -0.105 0.000 1.226 174 D CA 0.071 53.965 54.000 -0.177 0.000 0.918 174 D CB 0.464 41.215 40.800 -0.083 0.000 1.043 174 D HN 0.182 nan 8.370 nan 0.000 0.506 175 F N 2.325 122.274 119.950 -0.002 0.000 2.317 175 F HA 0.155 4.687 4.527 0.009 0.000 0.293 175 F C 2.132 177.931 175.800 -0.001 0.000 1.085 175 F CA 0.382 58.379 58.000 -0.005 0.000 1.390 175 F CB -0.218 38.783 39.000 0.003 0.000 1.077 175 F HN 0.309 nan 8.300 nan 0.000 0.517 176 K N 0.040 120.551 120.400 0.185 0.000 2.032 176 K HA -0.159 4.167 4.320 0.009 0.000 0.209 176 K C 1.689 178.332 176.600 0.073 0.000 1.048 176 K CA 1.678 58.029 56.287 0.107 0.000 0.927 176 K CB -0.058 32.486 32.500 0.073 0.000 0.712 176 K HN 0.136 nan 8.250 nan 0.000 0.441 177 E N -0.268 119.965 120.200 0.056 0.000 2.340 177 E HA 0.035 4.391 4.350 0.009 0.000 0.198 177 E C 0.010 176.632 176.600 0.036 0.000 0.961 177 E CA 0.516 56.938 56.400 0.036 0.000 0.905 177 E CB 0.301 30.012 29.700 0.019 0.000 0.884 177 E HN 0.220 nan 8.360 nan 0.000 0.491 178 N N 0.352 119.079 118.700 0.045 0.000 2.757 178 N HA 0.269 5.015 4.740 0.009 0.000 0.296 178 N C 0.326 175.881 175.510 0.074 0.000 1.874 178 N CA 0.046 53.119 53.050 0.038 0.000 0.885 178 N CB 1.342 39.834 38.487 0.009 0.000 1.242 178 N HN 0.008 nan 8.380 nan 0.000 0.488 179 A N 0.204 123.082 122.820 0.097 0.000 1.873 179 A HA -0.166 4.159 4.320 0.009 0.000 0.215 179 A C 2.087 179.714 177.584 0.073 0.000 1.186 179 A CA 1.363 53.481 52.037 0.134 0.000 0.616 179 A CB -0.224 18.819 19.000 0.073 0.000 0.823 179 A HN 0.410 nan 8.150 nan 0.000 0.442 180 E N 0.056 120.274 120.200 0.031 0.000 2.058 180 E HA -0.250 4.105 4.350 0.009 0.000 0.194 180 E C 2.191 178.791 176.600 0.000 0.000 0.997 180 E CA 1.920 58.323 56.400 0.005 0.000 0.801 180 E CB -0.437 29.262 29.700 -0.001 0.000 0.746 180 E HN 0.694 nan 8.360 nan 0.000 0.450 181 Q N -0.360 119.443 119.800 0.005 0.000 2.124 181 Q HA -0.128 4.217 4.340 0.009 0.000 0.202 181 Q C 2.138 178.130 176.000 -0.014 0.000 0.977 181 Q CA 1.776 57.575 55.803 -0.006 0.000 0.850 181 Q CB -0.148 28.586 28.738 -0.006 0.000 0.901 181 Q HN 0.217 nan 8.270 nan 0.000 0.429 182 S N 0.395 116.097 115.700 0.003 0.000 2.368 182 S HA -0.123 4.352 4.470 0.009 0.000 0.224 182 S C 1.813 176.389 174.600 -0.039 0.000 1.029 182 S CA 1.137 59.327 58.200 -0.017 0.000 0.988 182 S CB -0.253 62.977 63.200 0.049 0.000 0.838 182 S HN 0.384 nan 8.310 nan 0.000 0.462 183 R N 0.985 121.479 120.500 -0.010 0.000 2.120 183 R HA -0.060 4.285 4.340 0.009 0.000 0.234 183 R C 2.245 178.499 176.300 -0.076 0.000 1.123 183 R CA 1.257 57.316 56.100 -0.069 0.000 0.975 183 R CB -0.361 29.898 30.300 -0.068 0.000 0.866 183 R HN 0.390 nan 8.270 nan 0.000 0.446 184 A N 0.382 123.173 122.820 -0.048 0.000 1.969 184 A HA -0.020 4.306 4.320 0.009 0.000 0.218 184 A C 2.247 179.819 177.584 -0.020 0.000 1.169 184 A CA 1.378 53.395 52.037 -0.034 0.000 0.635 184 A CB -0.463 18.523 19.000 -0.024 0.000 0.810 184 A HN 0.497 nan 8.150 nan 0.000 0.445 185 A N 0.088 122.891 122.820 -0.029 0.000 1.929 185 A HA -0.009 4.317 4.320 0.009 0.000 0.216 185 A C 2.070 179.673 177.584 0.032 0.000 1.176 185 A CA 1.343 53.379 52.037 -0.002 0.000 0.628 185 A CB -0.555 18.426 19.000 -0.031 0.000 0.816 185 A HN 0.479 nan 8.150 nan 0.000 0.444 186 I N 0.200 120.720 120.570 -0.083 0.000 2.142 186 I HA -0.280 3.895 4.170 0.009 0.000 0.240 186 I C 2.146 178.344 176.117 0.135 0.000 1.078 186 I CA 1.360 62.625 61.300 -0.058 0.000 1.343 186 I CB -0.517 37.261 38.000 -0.370 0.000 1.046 186 I HN 0.270 nan 8.210 nan 0.000 0.405 187 N N 0.874 119.593 118.700 0.032 0.000 2.120 187 N HA -0.195 4.550 4.740 0.009 0.000 0.188 187 N C 1.820 177.352 175.510 0.037 0.000 1.024 187 N CA 1.180 54.245 53.050 0.026 0.000 0.852 187 N CB -0.312 38.160 38.487 -0.025 0.000 1.003 187 N HN 0.173 nan 8.380 nan 0.000 0.424 188 K N 0.184 120.614 120.400 0.050 0.000 2.057 188 K HA -0.130 4.196 4.320 0.009 0.000 0.207 188 K C 1.787 178.442 176.600 0.090 0.000 1.049 188 K CA 0.844 57.160 56.287 0.048 0.000 0.931 188 K CB -0.516 32.014 32.500 0.050 0.000 0.714 188 K HN 0.285 nan 8.250 nan 0.000 0.440 189 W N -0.027 121.269 121.300 -0.005 0.000 2.355 189 W HA -0.161 4.507 4.660 0.012 0.000 0.309 189 W C 1.541 178.068 176.519 0.014 0.000 1.206 189 W CA 1.347 58.704 57.345 0.020 0.000 1.284 189 W CB -0.448 29.061 29.460 0.081 0.000 1.145 189 W HN -0.148 nan 8.180 nan 0.000 0.502 190 V N 0.400 120.213 119.914 -0.168 0.000 2.407 190 V HA -0.304 3.821 4.120 0.009 0.000 0.248 190 V C 2.538 178.437 176.094 -0.325 0.000 1.055 190 V CA 2.181 64.255 62.300 -0.375 0.000 1.049 190 V CB -1.338 30.431 31.823 -0.089 0.000 0.662 190 V HN 0.366 nan 8.190 nan 0.000 0.455 191 S N 0.439 116.015 115.700 -0.207 0.000 2.382 191 S HA -0.247 4.228 4.470 0.009 0.000 0.228 191 S C 1.921 176.372 174.600 -0.249 0.000 1.027 191 S CA 2.063 60.136 58.200 -0.213 0.000 0.991 191 S CB -0.504 62.615 63.200 -0.135 0.000 0.823 191 S HN 0.652 nan 8.310 nan 0.000 0.469 192 N N 0.959 119.519 118.700 -0.233 0.000 2.216 192 N HA 0.022 4.768 4.740 0.009 0.000 0.183 192 N C 1.584 176.924 175.510 -0.283 0.000 1.017 192 N CA 0.990 53.914 53.050 -0.208 0.000 0.861 192 N CB -0.126 38.288 38.487 -0.122 0.000 0.986 192 N HN 0.196 nan 8.380 nan 0.000 0.428 193 K N -0.557 119.590 120.400 -0.422 0.000 2.362 193 K HA 0.031 4.356 4.320 0.009 0.000 0.200 193 K C 1.127 177.467 176.600 -0.434 0.000 1.046 193 K CA 1.172 57.203 56.287 -0.426 0.000 0.952 193 K CB -0.297 31.806 32.500 -0.663 0.000 0.753 193 K HN 0.485 nan 8.250 nan 0.000 0.466 194 T N -3.143 111.071 114.554 -0.567 0.000 3.085 194 T HA 0.205 4.560 4.350 0.009 0.000 0.264 194 T C 0.161 174.174 174.700 -1.145 0.000 1.019 194 T CA -0.350 61.143 62.100 -1.011 0.000 0.910 194 T CB 0.213 68.724 68.868 -0.594 0.000 1.059 194 T HN 0.173 nan 8.240 nan 0.000 0.542 195 E N 0.403 120.225 120.200 -0.630 0.000 2.637 195 E HA -0.209 4.146 4.350 0.009 0.000 0.265 195 E C 0.978 177.397 176.600 -0.301 0.000 1.073 195 E CA 0.459 56.636 56.400 -0.372 0.000 0.778 195 E CB -1.658 27.885 29.700 -0.263 0.000 1.362 195 E HN 0.997 nan 8.360 nan 0.000 0.413 196 G N -0.455 108.165 108.800 -0.300 0.000 2.162 196 G HA2 -0.387 3.579 3.960 0.009 0.000 0.260 196 G HA3 -0.387 3.579 3.960 0.009 0.000 0.260 196 G C 0.866 175.591 174.900 -0.290 0.000 0.976 196 G CA 0.560 45.515 45.100 -0.241 0.000 0.655 196 G HN 0.219 nan 8.290 nan 0.000 0.533 197 R N -0.246 120.010 120.500 -0.407 0.000 2.075 197 R HA 0.225 4.570 4.340 0.009 0.000 0.226 197 R C 1.350 177.393 176.300 -0.428 0.000 1.114 197 R CA 0.887 56.639 56.100 -0.580 0.000 0.972 197 R CB -0.153 29.659 30.300 -0.813 0.000 0.869 197 R HN 0.532 nan 8.270 nan 0.000 0.437 198 I N 1.856 122.268 120.570 -0.264 0.000 2.337 198 I HA 0.090 4.266 4.170 0.009 0.000 0.285 198 I C 0.592 176.648 176.117 -0.102 0.000 1.041 198 I CA -0.133 61.102 61.300 -0.109 0.000 1.199 198 I CB 1.674 39.666 38.000 -0.013 0.000 1.370 198 I HN 0.015 nan 8.210 nan 0.000 0.470 199 T N -0.583 113.923 114.554 -0.080 0.000 3.176 199 T HA 0.162 4.518 4.350 0.009 0.000 0.263 199 T C 0.151 174.826 174.700 -0.041 0.000 1.021 199 T CA -0.297 61.762 62.100 -0.068 0.000 0.905 199 T CB -0.314 68.511 68.868 -0.073 0.000 1.057 199 T HN 0.640 nan 8.240 nan 0.000 0.558 200 D N 0.380 120.765 120.400 -0.025 0.000 3.407 200 D HA 0.085 4.730 4.640 0.009 0.000 0.291 200 D C 0.806 177.093 176.300 -0.021 0.000 1.309 200 D CA -0.446 53.536 54.000 -0.030 0.000 0.747 200 D CB -0.158 40.624 40.800 -0.029 0.000 1.343 200 D HN 0.166 nan 8.370 nan 0.000 0.631 201 V N 0.045 119.959 119.914 -0.000 0.000 2.343 201 V HA -0.070 4.055 4.120 0.009 0.000 0.247 201 V C 1.463 177.497 176.094 -0.100 0.000 1.051 201 V CA 0.924 63.253 62.300 0.048 0.000 1.036 201 V CB -0.400 31.509 31.823 0.143 0.000 0.654 201 V HN 0.469 nan 8.190 nan 0.000 0.451 202 I N 3.157 123.552 120.570 -0.291 0.000 2.312 202 I HA 0.277 4.452 4.170 0.009 0.000 0.291 202 I C -2.258 173.620 176.117 -0.398 0.000 1.031 202 I CA -1.922 58.951 61.300 -0.712 0.000 1.293 202 I CB 1.229 38.856 38.000 -0.623 0.000 1.403 202 I HN 0.149 nan 8.210 nan 0.000 0.484 203 P HA 0.092 nan 4.420 nan 0.000 0.274 203 P C -0.312 176.911 177.300 -0.128 0.000 1.237 203 P CA -0.390 62.623 63.100 -0.145 0.000 0.793 203 P CB 0.505 32.176 31.700 -0.048 0.000 0.977 204 S N 0.644 116.300 115.700 -0.072 0.000 2.626 204 S HA 0.247 4.723 4.470 0.009 0.000 0.303 204 S C 0.919 175.494 174.600 -0.041 0.000 1.256 204 S CA 1.371 59.539 58.200 -0.054 0.000 1.069 204 S CB -1.347 61.834 63.200 -0.032 0.000 0.807 204 S HN 0.725 nan 8.310 nan 0.000 0.500 205 E N -0.089 120.085 120.200 -0.044 0.000 2.287 205 E HA -0.151 4.204 4.350 0.009 0.000 0.229 205 E C 0.494 177.087 176.600 -0.012 0.000 1.194 205 E CA 1.145 57.530 56.400 -0.025 0.000 0.704 205 E CB -2.129 27.566 29.700 -0.008 0.000 1.216 205 E HN 1.194 nan 8.360 nan 0.000 0.381 206 A N -0.575 122.223 122.820 -0.036 0.000 2.287 206 A HA 0.670 4.995 4.320 0.009 0.000 0.214 206 A C 0.946 178.533 177.584 0.006 0.000 1.228 206 A CA 0.766 52.820 52.037 0.029 0.000 0.939 206 A CB 0.633 19.640 19.000 0.011 0.000 0.992 206 A HN 0.905 nan 8.150 nan 0.000 0.502 207 I N 1.823 122.347 120.570 -0.078 0.000 2.404 207 I HA 0.320 4.495 4.170 0.009 0.000 0.293 207 I C -0.557 175.496 176.117 -0.108 0.000 0.992 207 I CA -0.705 60.501 61.300 -0.157 0.000 1.149 207 I CB 1.942 39.817 38.000 -0.209 0.000 1.315 207 I HN 0.547 nan 8.210 nan 0.000 0.446 208 N N 2.979 121.607 118.700 -0.120 0.000 3.283 208 N HA 0.429 5.174 4.740 0.009 0.000 0.338 208 N C 0.471 175.963 175.510 -0.030 0.000 1.517 208 N CA -0.245 52.777 53.050 -0.047 0.000 0.733 208 N CB 0.299 38.777 38.487 -0.014 0.000 1.797 208 N HN 0.333 nan 8.380 nan 0.000 0.637 209 E N -0.374 119.836 120.200 0.018 0.000 2.274 209 E HA 0.105 4.460 4.350 0.009 0.000 0.194 209 E C 1.442 178.076 176.600 0.057 0.000 0.996 209 E CA 1.045 57.477 56.400 0.053 0.000 0.840 209 E CB -0.879 28.851 29.700 0.050 0.000 0.772 209 E HN 0.534 nan 8.360 nan 0.000 0.491 210 L N 0.884 122.129 121.223 0.035 0.000 2.592 210 L HA 0.129 4.475 4.340 0.009 0.000 0.227 210 L C 0.653 177.538 176.870 0.025 0.000 1.127 210 L CA -0.052 54.819 54.840 0.051 0.000 0.884 210 L CB 0.232 42.332 42.059 0.068 0.000 1.065 210 L HN 0.051 nan 8.230 nan 0.000 0.457 211 T N 0.545 115.053 114.554 -0.077 0.000 2.870 211 T HA 0.129 4.485 4.350 0.009 0.000 0.300 211 T C 1.154 175.777 174.700 -0.128 0.000 0.989 211 T CA -0.012 61.952 62.100 -0.227 0.000 1.139 211 T CB 1.902 70.415 68.868 -0.590 0.000 0.920 211 T HN 0.116 nan 8.240 nan 0.000 0.537 212 V N 1.449 121.303 119.914 -0.099 0.000 3.484 212 V HA 0.537 4.662 4.120 0.009 0.000 0.252 212 V C 0.144 176.335 176.094 0.161 0.000 1.282 212 V CA 0.188 62.539 62.300 0.086 0.000 1.104 212 V CB -0.087 31.742 31.823 0.009 0.000 0.868 212 V HN 0.627 nan 8.190 nan 0.000 0.457 213 L N 1.111 122.341 121.223 0.013 0.000 2.476 213 L HA 0.767 5.113 4.340 0.009 0.000 0.269 213 L C -1.500 175.426 176.870 0.093 0.000 0.965 213 L CA -0.493 54.412 54.840 0.109 0.000 0.845 213 L CB 2.567 44.634 42.059 0.014 0.000 1.259 213 L HN 0.076 nan 8.230 nan 0.000 0.403 214 V N 4.713 124.774 119.914 0.244 0.000 2.638 214 V HA 0.556 4.681 4.120 0.009 0.000 0.306 214 V C -1.372 174.908 176.094 0.311 0.000 1.052 214 V CA -0.553 61.910 62.300 0.272 0.000 0.885 214 V CB 2.431 34.438 31.823 0.306 0.000 0.999 214 V HN 0.549 nan 8.190 nan 0.000 0.424 215 L N 7.247 128.602 121.223 0.219 0.000 2.287 215 L HA 0.711 5.056 4.340 0.009 0.000 0.287 215 L C -0.753 176.259 176.870 0.236 0.000 1.022 215 L CA 0.113 55.018 54.840 0.109 0.000 0.814 215 L CB 1.671 43.660 42.059 -0.117 0.000 1.217 215 L HN 0.500 nan 8.230 nan 0.000 0.420 216 V N 6.372 126.459 119.914 0.288 0.000 2.378 216 V HA 0.526 4.651 4.120 0.009 0.000 0.288 216 V C -0.548 175.737 176.094 0.318 0.000 1.016 216 V CA -0.692 61.857 62.300 0.415 0.000 0.840 216 V CB 1.375 33.571 31.823 0.622 0.000 0.994 216 V HN 0.896 nan 8.190 nan 0.000 0.431 217 N N 2.399 121.280 118.700 0.302 0.000 2.225 217 N HA 0.657 5.403 4.740 0.009 0.000 0.298 217 N C -1.109 174.634 175.510 0.389 0.000 1.076 217 N CA -0.447 52.751 53.050 0.246 0.000 0.792 217 N CB 2.985 41.519 38.487 0.079 0.000 1.498 217 N HN 0.487 nan 8.380 nan 0.000 0.474 218 T N 0.892 115.629 114.554 0.305 0.000 2.886 218 T HA 0.493 4.848 4.350 0.009 0.000 0.330 218 T C -1.752 173.115 174.700 0.278 0.000 1.488 218 T CA -0.551 61.764 62.100 0.360 0.000 1.054 218 T CB 1.308 70.330 68.868 0.258 0.000 1.348 218 T HN 0.492 nan 8.240 nan 0.000 0.489 219 I N 3.333 124.134 120.570 0.384 0.000 2.498 219 I HA 0.477 4.653 4.170 0.009 0.000 0.290 219 I C -1.446 175.064 176.117 0.656 0.000 1.032 219 I CA -0.995 60.539 61.300 0.390 0.000 1.073 219 I CB 1.969 40.081 38.000 0.187 0.000 1.251 219 I HN 0.643 nan 8.210 nan 0.000 0.426 220 Y N 7.260 127.797 120.300 0.395 0.000 2.352 220 Y HA 0.561 5.115 4.550 0.007 0.000 0.339 220 Y C -1.563 174.601 175.900 0.439 0.000 0.992 220 Y CA -1.153 57.169 58.100 0.370 0.000 1.100 220 Y CB 1.409 39.968 38.460 0.164 0.000 1.192 220 Y HN 0.400 nan 8.280 nan 0.000 0.458 221 F N 6.222 125.991 119.950 -0.303 0.000 2.529 221 F HA 0.630 5.162 4.527 0.009 0.000 0.320 221 F C -1.560 173.880 175.800 -0.601 0.000 1.118 221 F CA -0.848 56.961 58.000 -0.320 0.000 0.915 221 F CB 1.326 40.317 39.000 -0.015 0.000 1.161 221 F HN 0.425 nan 8.300 nan 0.000 0.445 222 K N 4.352 124.009 120.400 -1.239 0.000 2.426 222 K HA 0.735 5.061 4.320 0.009 0.000 0.254 222 K C -0.844 174.917 176.600 -1.399 0.000 0.936 222 K CA -1.029 54.576 56.287 -1.136 0.000 0.801 222 K CB 2.117 34.258 32.500 -0.597 0.000 1.139 222 K HN 0.907 nan 8.250 nan 0.000 0.424 223 G N 2.327 110.347 108.800 -1.300 0.000 2.718 223 G HA2 0.550 4.515 3.960 0.009 0.000 0.295 223 G HA3 0.550 4.515 3.960 0.009 0.000 0.295 223 G C -1.603 173.099 174.900 -0.330 0.000 1.421 223 G CA -0.707 43.868 45.100 -0.875 0.000 0.902 223 G HN 0.362 nan 8.290 nan 0.000 0.501 224 L N 0.519 121.752 121.223 0.016 0.000 2.329 224 L HA 0.465 4.811 4.340 0.009 0.000 0.279 224 L C -0.172 176.909 176.870 0.352 0.000 1.014 224 L CA -0.831 54.074 54.840 0.108 0.000 0.814 224 L CB 1.797 43.904 42.059 0.080 0.000 1.257 224 L HN 0.634 nan 8.230 nan 0.000 0.424 225 W N 2.892 124.347 121.300 0.257 0.000 2.209 225 W HA -0.013 4.642 4.660 -0.009 0.000 0.344 225 W C 1.525 178.094 176.519 0.082 0.000 1.285 225 W CA -0.223 57.179 57.345 0.095 0.000 1.267 225 W CB 0.714 30.215 29.460 0.069 0.000 1.167 225 W HN 0.603 nan 8.180 nan 0.000 0.574 226 K N 1.162 121.762 120.400 0.333 0.000 2.097 226 K HA -0.135 4.191 4.320 0.009 0.000 0.205 226 K C 0.811 177.472 176.600 0.102 0.000 1.050 226 K CA 1.263 57.658 56.287 0.181 0.000 0.938 226 K CB -0.000 32.578 32.500 0.131 0.000 0.718 226 K HN 0.231 nan 8.250 nan 0.000 0.442 227 S N 1.204 116.945 115.700 0.069 0.000 2.532 227 S HA 0.250 4.726 4.470 0.009 0.000 0.256 227 S C -1.058 173.493 174.600 -0.081 0.000 1.298 227 S CA -0.954 57.218 58.200 -0.047 0.000 1.166 227 S CB 0.433 63.532 63.200 -0.169 0.000 1.022 227 S HN 0.161 nan 8.310 nan 0.000 0.480 228 K N 2.591 123.024 120.400 0.055 0.000 2.336 228 K HA 0.237 4.562 4.320 0.009 0.000 0.262 228 K C -0.653 175.949 176.600 0.004 0.000 0.992 228 K CA 0.171 56.559 56.287 0.168 0.000 0.927 228 K CB 0.313 32.945 32.500 0.221 0.000 0.956 228 K HN 0.447 nan 8.250 nan 0.000 0.495 229 F N -0.079 119.919 119.950 0.079 0.000 2.432 229 F HA 0.181 4.725 4.527 0.029 0.000 0.329 229 F C 0.980 176.822 175.800 0.070 0.000 1.076 229 F CA -0.673 57.344 58.000 0.028 0.000 1.018 229 F CB 1.619 40.626 39.000 0.011 0.000 1.201 229 F HN 0.350 nan 8.300 nan 0.000 0.489 230 S N 2.936 118.786 115.700 0.250 0.000 2.480 230 S HA 0.376 4.851 4.470 0.009 0.000 0.286 230 S C -1.719 172.978 174.600 0.161 0.000 1.180 230 S CA -1.674 56.627 58.200 0.169 0.000 1.075 230 S CB 1.217 64.490 63.200 0.120 0.000 0.996 230 S HN 0.356 nan 8.310 nan 0.000 0.487 231 P HA -0.083 nan 4.420 nan 0.000 0.222 231 P C 0.682 178.025 177.300 0.071 0.000 1.147 231 P CA 1.036 64.188 63.100 0.086 0.000 0.790 231 P CB 0.012 31.752 31.700 0.066 0.000 0.780 232 E N -0.050 120.192 120.200 0.070 0.000 2.204 232 E HA -0.124 4.232 4.350 0.009 0.000 0.195 232 E C 1.315 177.951 176.600 0.060 0.000 0.990 232 E CA 0.704 57.138 56.400 0.057 0.000 0.821 232 E CB -0.506 29.224 29.700 0.050 0.000 0.750 232 E HN 0.387 nan 8.360 nan 0.000 0.477 233 N N 0.629 119.387 118.700 0.096 0.000 2.412 233 N HA -0.011 4.734 4.740 0.009 0.000 0.184 233 N C 0.094 175.660 175.510 0.093 0.000 1.101 233 N CA 0.374 53.487 53.050 0.105 0.000 0.881 233 N CB 0.382 39.014 38.487 0.241 0.000 0.969 233 N HN -0.014 nan 8.380 nan 0.000 0.459 234 T N 2.242 116.845 114.554 0.083 0.000 2.919 234 T HA 0.318 4.673 4.350 0.009 0.000 0.302 234 T C 0.664 175.387 174.700 0.040 0.000 1.031 234 T CA -0.136 62.000 62.100 0.060 0.000 1.127 234 T CB 0.717 69.608 68.868 0.039 0.000 0.952 234 T HN 0.378 nan 8.240 nan 0.000 0.540 235 R N 0.432 120.958 120.500 0.043 0.000 2.629 235 R HA 0.428 4.773 4.340 0.009 0.000 0.266 235 R C -1.488 174.840 176.300 0.046 0.000 1.051 235 R CA -1.287 54.833 56.100 0.034 0.000 0.895 235 R CB 0.986 31.297 30.300 0.018 0.000 1.246 235 R HN 0.151 nan 8.270 nan 0.000 0.459 236 K N 2.100 122.521 120.400 0.035 0.000 2.447 236 K HA 0.112 4.438 4.320 0.009 0.000 0.281 236 K C -0.622 176.007 176.600 0.048 0.000 1.031 236 K CA 0.521 56.831 56.287 0.038 0.000 1.019 236 K CB 0.639 33.153 32.500 0.023 0.000 0.918 236 K HN 0.634 nan 8.250 nan 0.000 0.476 237 E N 1.718 121.957 120.200 0.065 0.000 2.383 237 E HA 0.303 4.659 4.350 0.009 0.000 0.275 237 E C -0.653 175.980 176.600 0.056 0.000 0.918 237 E CA -0.816 55.628 56.400 0.073 0.000 0.764 237 E CB 1.842 31.612 29.700 0.117 0.000 1.252 237 E HN 0.290 nan 8.360 nan 0.000 0.449 238 L N 2.579 123.804 121.223 0.002 0.000 2.462 238 L HA 0.205 4.550 4.340 0.009 0.000 0.272 238 L C -0.412 176.370 176.870 -0.146 0.000 1.166 238 L CA 0.205 54.955 54.840 -0.151 0.000 0.880 238 L CB 0.083 41.937 42.059 -0.341 0.000 1.142 238 L HN 0.388 nan 8.230 nan 0.000 0.473 239 F N 3.577 123.360 119.950 -0.278 0.000 2.444 239 F HA 0.371 4.905 4.527 0.013 0.000 0.342 239 F C -0.643 174.995 175.800 -0.271 0.000 1.121 239 F CA -0.574 57.340 58.000 -0.143 0.000 0.997 239 F CB 0.851 39.836 39.000 -0.025 0.000 1.130 239 F HN 0.185 nan 8.300 nan 0.000 0.454 240 Y N 5.741 125.850 120.300 -0.318 0.000 2.518 240 Y HA 0.331 4.888 4.550 0.012 0.000 0.344 240 Y C 0.318 176.156 175.900 -0.104 0.000 0.982 240 Y CA -0.679 57.332 58.100 -0.149 0.000 1.234 240 Y CB 0.485 38.843 38.460 -0.171 0.000 1.114 240 Y HN 0.435 nan 8.280 nan 0.000 0.515 241 K N 1.070 121.574 120.400 0.174 0.000 2.149 241 K HA 0.350 4.676 4.320 0.009 0.000 0.245 241 K C 1.147 177.816 176.600 0.114 0.000 1.024 241 K CA 0.209 56.608 56.287 0.188 0.000 0.899 241 K CB 0.621 33.223 32.500 0.171 0.000 1.038 241 K HN 0.727 nan 8.250 nan 0.000 0.496 242 A N 1.634 124.511 122.820 0.095 0.000 1.940 242 A HA -0.239 4.086 4.320 0.009 0.000 0.219 242 A C 1.663 179.276 177.584 0.049 0.000 1.176 242 A CA 2.292 54.366 52.037 0.061 0.000 0.631 242 A CB -0.849 18.182 19.000 0.052 0.000 0.814 242 A HN 0.950 nan 8.150 nan 0.000 0.446 243 D N -2.090 118.341 120.400 0.051 0.000 2.182 243 D HA 0.167 4.813 4.640 0.009 0.000 0.201 243 D C 1.335 177.660 176.300 0.043 0.000 0.986 243 D CA 1.882 55.906 54.000 0.040 0.000 0.847 243 D CB -0.513 40.309 40.800 0.035 0.000 0.942 243 D HN 0.904 nan 8.370 nan 0.000 0.467 244 G N -1.186 107.651 108.800 0.061 0.000 2.318 244 G HA2 -0.171 3.795 3.960 0.009 0.000 0.172 244 G HA3 -0.171 3.795 3.960 0.009 0.000 0.172 244 G C 0.088 175.043 174.900 0.091 0.000 1.002 244 G CA -0.103 45.038 45.100 0.068 0.000 0.697 244 G HN 0.290 nan 8.290 nan 0.000 0.483 245 E N 0.784 121.029 120.200 0.075 0.000 2.322 245 E HA 0.635 4.990 4.350 0.009 0.000 0.257 245 E C 0.269 176.894 176.600 0.043 0.000 1.155 245 E CA 0.345 56.780 56.400 0.057 0.000 0.936 245 E CB 1.548 31.269 29.700 0.035 0.000 1.130 245 E HN 0.664 nan 8.360 nan 0.000 0.465 246 S N -0.885 114.796 115.700 -0.033 0.000 2.548 246 S HA 0.668 5.144 4.470 0.009 0.000 0.286 246 S C -0.078 174.467 174.600 -0.092 0.000 1.098 246 S CA -0.899 57.197 58.200 -0.174 0.000 0.930 246 S CB 0.744 63.662 63.200 -0.470 0.000 1.070 246 S HN 0.712 nan 8.310 nan 0.000 0.480 247 c N -0.042 118.523 118.600 -0.058 0.000 3.161 247 c HA 0.893 5.469 4.570 0.009 0.000 0.330 247 c C 0.197 174.279 174.090 -0.014 0.000 1.396 247 c CA -0.836 55.481 56.329 -0.020 0.000 1.536 247 c CB 0.910 43.421 42.510 0.002 0.000 1.978 247 c HN 0.812 nan 8.230 nan 0.000 0.454 248 S N 0.828 116.524 115.700 -0.007 0.000 2.410 248 S HA 0.678 5.153 4.470 0.009 0.000 0.304 248 S C 0.147 174.756 174.600 0.016 0.000 1.095 248 S CA -0.049 58.154 58.200 0.005 0.000 1.089 248 S CB -0.095 63.104 63.200 -0.001 0.000 0.968 248 S HN 1.209 nan 8.310 nan 0.000 0.480 249 A N 3.427 126.277 122.820 0.050 0.000 2.281 249 A HA 0.732 5.058 4.320 0.009 0.000 0.329 249 A C 0.032 177.651 177.584 0.057 0.000 1.122 249 A CA -0.652 51.412 52.037 0.045 0.000 0.850 249 A CB 0.839 19.898 19.000 0.098 0.000 1.207 249 A HN 0.609 nan 8.150 nan 0.000 0.495 250 S N 1.025 116.752 115.700 0.046 0.000 2.464 250 S HA 0.323 4.799 4.470 0.009 0.000 0.313 250 S C -0.235 174.402 174.600 0.060 0.000 1.078 250 S CA -0.137 58.088 58.200 0.043 0.000 1.096 250 S CB -0.347 62.864 63.200 0.019 0.000 1.032 250 S HN 0.569 nan 8.310 nan 0.000 0.498 251 M N 5.003 124.656 119.600 0.088 0.000 2.120 251 M HA 0.370 4.856 4.480 0.009 0.000 0.354 251 M C -0.378 175.969 176.300 0.077 0.000 1.287 251 M CA 0.140 55.511 55.300 0.118 0.000 1.103 251 M CB 0.131 32.841 32.600 0.183 0.000 1.623 251 M HN 0.497 nan 8.290 nan 0.000 0.471 252 M N 4.348 123.945 119.600 -0.005 0.000 2.291 252 M HA 0.379 4.864 4.480 0.009 0.000 0.324 252 M C -1.027 175.348 176.300 0.125 0.000 1.148 252 M CA -0.543 54.714 55.300 -0.071 0.000 1.104 252 M CB 1.072 33.331 32.600 -0.570 0.000 1.483 252 M HN 0.668 nan 8.290 nan 0.000 0.467 253 Y N 1.345 121.723 120.300 0.131 0.000 2.534 253 Y HA 0.547 5.097 4.550 0.001 0.000 0.345 253 Y C -1.456 174.541 175.900 0.162 0.000 1.031 253 Y CA -0.568 57.560 58.100 0.047 0.000 1.022 253 Y CB 1.807 40.196 38.460 -0.118 0.000 1.292 253 Y HN 0.775 nan 8.280 nan 0.000 0.459 254 Q N 2.905 122.264 119.800 -0.735 0.000 2.617 254 Q HA 0.417 4.763 4.340 0.009 0.000 0.270 254 Q C -2.350 173.267 176.000 -0.637 0.000 0.967 254 Q CA -1.023 54.403 55.803 -0.629 0.000 0.887 254 Q CB 1.865 30.301 28.738 -0.502 0.000 1.516 254 Q HN 0.734 nan 8.270 nan 0.000 0.395 255 E N 0.711 120.655 120.200 -0.428 0.000 2.187 255 E HA 0.781 5.136 4.350 0.009 0.000 0.268 255 E C -0.595 175.890 176.600 -0.192 0.000 0.896 255 E CA -0.819 55.428 56.400 -0.255 0.000 0.766 255 E CB 2.058 31.645 29.700 -0.188 0.000 1.142 255 E HN 0.808 nan 8.360 nan 0.000 0.408 256 G N 1.739 110.435 108.800 -0.173 0.000 2.488 256 G HA2 0.253 4.219 3.960 0.009 0.000 0.301 256 G HA3 0.253 4.219 3.960 0.009 0.000 0.301 256 G C -1.574 172.994 174.900 -0.554 0.000 1.339 256 G CA -0.924 43.931 45.100 -0.409 0.000 0.803 256 G HN 0.332 nan 8.290 nan 0.000 0.482 257 K N 0.143 120.120 120.400 -0.705 0.000 2.267 257 K HA 0.623 4.948 4.320 0.009 0.000 0.282 257 K C -1.446 174.692 176.600 -0.769 0.000 1.078 257 K CA -0.367 55.600 56.287 -0.534 0.000 0.903 257 K CB 0.177 32.481 32.500 -0.327 0.000 1.111 257 K HN 0.197 nan 8.250 nan 0.000 0.475 258 F N 2.199 122.069 119.950 -0.134 0.000 2.576 258 F HA 0.444 4.976 4.527 0.009 0.000 0.313 258 F C 0.155 175.922 175.800 -0.055 0.000 1.078 258 F CA -1.015 56.908 58.000 -0.128 0.000 0.921 258 F CB 1.670 40.554 39.000 -0.193 0.000 1.232 258 F HN 0.312 nan 8.300 nan 0.000 0.459 259 R N 1.763 122.357 120.500 0.157 0.000 2.442 259 R HA 0.348 4.693 4.340 0.009 0.000 0.291 259 R C -1.362 175.041 176.300 0.171 0.000 1.069 259 R CA -0.079 56.094 56.100 0.121 0.000 1.022 259 R CB 0.482 30.828 30.300 0.076 0.000 0.976 259 R HN 0.725 nan 8.270 nan 0.000 0.443 260 Y N 1.154 121.457 120.300 0.004 0.000 2.638 260 Y HA 0.579 5.135 4.550 0.009 0.000 0.335 260 Y C -1.474 174.419 175.900 -0.012 0.000 1.155 260 Y CA -1.260 56.832 58.100 -0.014 0.000 1.046 260 Y CB 1.901 40.359 38.460 -0.004 0.000 1.303 260 Y HN 0.546 nan 8.280 nan 0.000 0.460 261 R N 2.513 122.452 120.500 -0.935 0.000 2.644 261 R HA 0.375 4.721 4.340 0.009 0.000 0.257 261 R C -2.199 173.520 176.300 -0.968 0.000 1.082 261 R CA -0.684 54.928 56.100 -0.814 0.000 0.927 261 R CB 1.366 31.465 30.300 -0.335 0.000 1.258 261 R HN 0.851 nan 8.270 nan 0.000 0.459 262 R N 3.208 123.327 120.500 -0.634 0.000 2.221 262 R HA 0.483 4.828 4.340 0.009 0.000 0.327 262 R C 0.058 176.190 176.300 -0.280 0.000 1.033 262 R CA -0.399 55.486 56.100 -0.358 0.000 0.887 262 R CB 0.598 30.824 30.300 -0.124 0.000 1.057 262 R HN 0.509 nan 8.270 nan 0.000 0.455 263 V N 1.106 120.812 119.914 -0.346 0.000 3.485 263 V HA 0.669 4.794 4.120 0.009 0.000 0.293 263 V C 0.167 176.168 176.094 -0.155 0.000 1.253 263 V CA -1.084 61.035 62.300 -0.302 0.000 0.991 263 V CB 0.663 32.091 31.823 -0.659 0.000 1.252 263 V HN 0.803 nan 8.190 nan 0.000 0.473 264 A N 0.184 122.999 122.820 -0.009 0.000 2.581 264 A HA 0.149 4.474 4.320 0.009 0.000 0.257 264 A C 0.824 178.427 177.584 0.032 0.000 1.022 264 A CA 1.363 53.449 52.037 0.083 0.000 0.812 264 A CB -1.628 17.520 19.000 0.246 0.000 0.918 264 A HN 1.475 nan 8.150 nan 0.000 0.516 265 E N 0.960 121.170 120.200 0.016 0.000 2.553 265 E HA -0.196 4.159 4.350 0.009 0.000 0.264 265 E C 0.982 177.567 176.600 -0.025 0.000 1.068 265 E CA 1.252 57.655 56.400 0.006 0.000 0.774 265 E CB -1.582 28.137 29.700 0.032 0.000 1.349 265 E HN 2.598 nan 8.360 nan 0.000 0.404 266 G N -0.870 107.900 108.800 -0.050 0.000 2.168 266 G HA2 -0.351 3.614 3.960 0.009 0.000 0.263 266 G HA3 -0.351 3.614 3.960 0.009 0.000 0.263 266 G C 0.339 175.178 174.900 -0.102 0.000 0.977 266 G CA 0.559 45.619 45.100 -0.066 0.000 0.659 266 G HN 0.410 nan 8.290 nan 0.000 0.533 267 T N 1.442 115.907 114.554 -0.148 0.000 2.853 267 T HA 0.393 4.749 4.350 0.009 0.000 0.298 267 T C 0.486 175.030 174.700 -0.260 0.000 0.978 267 T CA 0.400 62.376 62.100 -0.207 0.000 1.152 267 T CB 0.965 69.655 68.868 -0.297 0.000 0.914 267 T HN 0.425 nan 8.240 nan 0.000 0.539 268 Q N 2.202 121.911 119.800 -0.151 0.000 2.303 268 Q HA 0.465 4.810 4.340 0.009 0.000 0.257 268 Q C -0.786 175.214 176.000 0.000 0.000 0.941 268 Q CA -0.586 55.179 55.803 -0.062 0.000 0.931 268 Q CB 1.418 30.255 28.738 0.165 0.000 1.215 268 Q HN 0.401 nan 8.270 nan 0.000 0.437 269 V N 4.226 124.026 119.914 -0.189 0.000 2.435 269 V HA 0.453 4.578 4.120 0.009 0.000 0.290 269 V C -0.720 175.342 176.094 -0.055 0.000 1.030 269 V CA -0.725 61.507 62.300 -0.114 0.000 0.881 269 V CB 1.509 33.184 31.823 -0.247 0.000 0.983 269 V HN 0.544 nan 8.190 nan 0.000 0.445 270 L N 4.007 125.200 121.223 -0.050 0.000 2.381 270 L HA 0.651 4.997 4.340 0.009 0.000 0.268 270 L C -0.536 176.256 176.870 -0.130 0.000 0.997 270 L CA -0.138 54.589 54.840 -0.188 0.000 0.818 270 L CB 2.105 43.702 42.059 -0.771 0.000 1.310 270 L HN 0.782 nan 8.230 nan 0.000 0.416 271 E N 4.595 124.746 120.200 -0.082 0.000 2.185 271 E HA 0.472 4.828 4.350 0.009 0.000 0.261 271 E C -1.780 174.795 176.600 -0.041 0.000 0.879 271 E CA -0.534 55.858 56.400 -0.013 0.000 0.756 271 E CB 1.071 30.803 29.700 0.053 0.000 1.152 271 E HN 0.649 nan 8.360 nan 0.000 0.416 272 L N 7.113 128.287 121.223 -0.081 0.000 2.301 272 L HA 0.476 4.821 4.340 0.009 0.000 0.278 272 L C -2.213 174.652 176.870 -0.008 0.000 1.022 272 L CA -2.067 52.679 54.840 -0.157 0.000 0.854 272 L CB 1.143 42.886 42.059 -0.527 0.000 1.226 272 L HN 0.366 nan 8.230 nan 0.000 0.429 273 P HA 0.281 nan 4.420 nan 0.000 0.281 273 P C -0.946 176.436 177.300 0.135 0.000 1.249 273 P CA -0.260 62.917 63.100 0.128 0.000 0.810 273 P CB 0.994 32.777 31.700 0.140 0.000 1.008 274 F N 0.468 120.618 119.950 0.334 0.000 2.403 274 F HA 0.332 4.861 4.527 0.004 0.000 0.326 274 F C 1.566 177.488 175.800 0.204 0.000 1.081 274 F CA -0.682 57.501 58.000 0.304 0.000 1.041 274 F CB 0.736 39.913 39.000 0.295 0.000 1.234 274 F HN 0.093 nan 8.300 nan 0.000 0.503 275 K N 1.016 121.633 120.400 0.361 0.000 2.530 275 K HA 0.141 4.467 4.320 0.009 0.000 0.280 275 K C 0.876 177.591 176.600 0.191 0.000 1.004 275 K CA 1.385 57.803 56.287 0.217 0.000 1.071 275 K CB -0.184 32.413 32.500 0.161 0.000 0.876 275 K HN 0.974 nan 8.250 nan 0.000 0.487 276 G N 2.786 111.670 108.800 0.141 0.000 2.284 276 G HA2 -0.244 3.722 3.960 0.009 0.000 0.216 276 G HA3 -0.244 3.722 3.960 0.009 0.000 0.216 276 G C 0.282 175.251 174.900 0.115 0.000 1.009 276 G CA 0.216 45.386 45.100 0.115 0.000 0.625 276 G HN 0.828 nan 8.290 nan 0.000 0.501 277 D N 0.358 120.847 120.400 0.149 0.000 2.792 277 D HA -0.182 4.463 4.640 0.009 0.000 0.192 277 D C 1.237 177.620 176.300 0.139 0.000 1.007 277 D CA 1.877 55.959 54.000 0.137 0.000 1.020 277 D CB -1.379 39.474 40.800 0.089 0.000 1.089 277 D HN 0.707 nan 8.370 nan 0.000 0.438 278 D N 0.676 121.159 120.400 0.138 0.000 2.234 278 D HA -0.040 4.606 4.640 0.009 0.000 0.205 278 D C 1.183 177.565 176.300 0.136 0.000 0.962 278 D CA 0.462 54.529 54.000 0.113 0.000 0.855 278 D CB 0.285 41.135 40.800 0.083 0.000 0.951 278 D HN 0.346 nan 8.370 nan 0.000 0.500 279 I N 1.229 121.924 120.570 0.208 0.000 2.406 279 I HA 0.241 4.416 4.170 0.009 0.000 0.290 279 I C -0.157 176.221 176.117 0.434 0.000 0.999 279 I CA -0.500 60.948 61.300 0.247 0.000 1.124 279 I CB 2.039 40.150 38.000 0.185 0.000 1.289 279 I HN -0.075 nan 8.210 nan 0.000 0.441 280 T N 2.884 117.659 114.554 0.369 0.000 2.916 280 T HA 0.657 5.013 4.350 0.009 0.000 0.292 280 T C -0.628 174.314 174.700 0.404 0.000 1.064 280 T CA -0.915 61.404 62.100 0.363 0.000 1.011 280 T CB 2.173 71.172 68.868 0.218 0.000 1.152 280 T HN 0.513 nan 8.240 nan 0.000 0.510 281 M N 2.811 122.615 119.600 0.341 0.000 2.072 281 M HA 0.592 5.077 4.480 0.009 0.000 0.331 281 M C -1.693 174.769 176.300 0.269 0.000 1.004 281 M CA -0.585 54.949 55.300 0.389 0.000 0.952 281 M CB 0.768 33.658 32.600 0.484 0.000 1.511 281 M HN 0.566 nan 8.290 nan 0.000 0.422 282 V N 6.722 126.829 119.914 0.322 0.000 2.394 282 V HA 0.461 4.586 4.120 0.009 0.000 0.282 282 V C -0.253 176.052 176.094 0.352 0.000 1.031 282 V CA -0.605 61.851 62.300 0.260 0.000 0.881 282 V CB 1.306 33.256 31.823 0.212 0.000 0.982 282 V HN 0.791 nan 8.190 nan 0.000 0.451 283 L N 5.860 127.225 121.223 0.237 0.000 2.322 283 L HA 0.624 4.970 4.340 0.009 0.000 0.281 283 L C -0.736 176.333 176.870 0.331 0.000 1.014 283 L CA -0.494 54.544 54.840 0.329 0.000 0.815 283 L CB 2.058 44.234 42.059 0.196 0.000 1.247 283 L HN 0.488 nan 8.230 nan 0.000 0.421 284 I N 4.320 125.135 120.570 0.407 0.000 2.354 284 I HA 0.295 4.471 4.170 0.009 0.000 0.286 284 I C -0.857 175.432 176.117 0.287 0.000 1.007 284 I CA -0.315 61.159 61.300 0.289 0.000 1.167 284 I CB 1.802 39.994 38.000 0.320 0.000 1.320 284 I HN 0.326 nan 8.210 nan 0.000 0.458 285 L N 10.498 131.821 121.223 0.167 0.000 2.345 285 L HA 0.657 5.003 4.340 0.009 0.000 0.274 285 L C -2.478 174.370 176.870 -0.038 0.000 0.999 285 L CA -1.782 53.086 54.840 0.046 0.000 0.849 285 L CB 1.124 43.034 42.059 -0.249 0.000 1.220 285 L HN 0.227 nan 8.230 nan 0.000 0.422 286 P HA 0.179 nan 4.420 nan 0.000 0.274 286 P C -1.031 176.233 177.300 -0.060 0.000 1.237 286 P CA -0.542 62.544 63.100 -0.022 0.000 0.793 286 P CB 0.580 32.296 31.700 0.026 0.000 0.977 287 K N 1.970 122.332 120.400 -0.062 0.000 2.234 287 K HA 0.083 4.408 4.320 0.009 0.000 0.251 287 K C -1.875 174.678 176.600 -0.078 0.000 1.011 287 K CA -0.955 55.285 56.287 -0.077 0.000 0.889 287 K CB -0.970 31.492 32.500 -0.063 0.000 1.011 287 K HN 0.127 nan 8.250 nan 0.000 0.505 288 P HA -0.231 nan 4.420 nan 0.000 0.216 288 P C 0.779 178.029 177.300 -0.084 0.000 1.153 288 P CA 1.500 64.532 63.100 -0.114 0.000 0.858 288 P CB -0.028 31.586 31.700 -0.143 0.000 0.789 289 E N -0.107 120.053 120.200 -0.066 0.000 2.482 289 E HA -0.082 4.274 4.350 0.009 0.000 0.196 289 E C 0.684 177.267 176.600 -0.028 0.000 1.047 289 E CA 0.594 56.966 56.400 -0.046 0.000 0.869 289 E CB -0.305 29.369 29.700 -0.042 0.000 0.836 289 E HN 0.277 nan 8.360 nan 0.000 0.520 290 K N 2.081 122.467 120.400 -0.023 0.000 2.358 290 K HA 0.196 4.521 4.320 0.009 0.000 0.260 290 K C -0.313 176.292 176.600 0.008 0.000 0.956 290 K CA -0.449 55.837 56.287 -0.002 0.000 0.834 290 K CB 1.387 33.891 32.500 0.007 0.000 1.102 290 K HN 0.023 nan 8.250 nan 0.000 0.431 291 S N 3.416 119.127 115.700 0.018 0.000 2.589 291 S HA 0.021 4.496 4.470 0.009 0.000 0.265 291 S C 1.092 175.724 174.600 0.053 0.000 1.342 291 S CA -0.722 57.495 58.200 0.029 0.000 1.005 291 S CB 0.897 64.113 63.200 0.026 0.000 0.909 291 S HN 0.684 nan 8.310 nan 0.000 0.555 292 L N 1.797 123.059 121.223 0.066 0.000 2.156 292 L HA 0.143 4.488 4.340 0.009 0.000 0.208 292 L C 2.581 179.516 176.870 0.107 0.000 1.095 292 L CA 2.020 56.919 54.840 0.099 0.000 0.770 292 L CB -1.608 40.514 42.059 0.105 0.000 0.914 292 L HN 0.959 nan 8.230 nan 0.000 0.439 293 A N -0.269 122.598 122.820 0.077 0.000 1.892 293 A HA -0.266 4.059 4.320 0.009 0.000 0.218 293 A C 2.283 179.909 177.584 0.069 0.000 1.188 293 A CA 2.124 54.200 52.037 0.064 0.000 0.631 293 A CB -0.500 18.521 19.000 0.036 0.000 0.822 293 A HN 0.507 nan 8.150 nan 0.000 0.447 294 K N -0.472 119.967 120.400 0.065 0.000 2.009 294 K HA -0.111 4.214 4.320 0.009 0.000 0.210 294 K C 1.915 178.573 176.600 0.098 0.000 1.049 294 K CA 1.554 57.881 56.287 0.067 0.000 0.929 294 K CB -0.677 31.857 32.500 0.056 0.000 0.714 294 K HN 0.315 nan 8.250 nan 0.000 0.440 295 V N 2.298 122.289 119.914 0.127 0.000 2.287 295 V HA -0.265 3.861 4.120 0.009 0.000 0.248 295 V C 2.144 178.356 176.094 0.197 0.000 1.053 295 V CA 1.889 64.300 62.300 0.185 0.000 1.027 295 V CB -0.580 31.368 31.823 0.210 0.000 0.646 295 V HN 0.361 nan 8.190 nan 0.000 0.447 296 E N 0.148 120.463 120.200 0.192 0.000 2.085 296 E HA -0.274 4.081 4.350 0.009 0.000 0.194 296 E C 2.228 178.920 176.600 0.153 0.000 0.994 296 E CA 1.479 58.011 56.400 0.222 0.000 0.801 296 E CB -0.216 29.620 29.700 0.225 0.000 0.743 296 E HN 0.630 nan 8.360 nan 0.000 0.453 297 K N 0.760 121.219 120.400 0.097 0.000 2.211 297 K HA -0.123 4.202 4.320 0.009 0.000 0.203 297 K C 1.776 178.410 176.600 0.057 0.000 1.050 297 K CA 1.131 57.454 56.287 0.059 0.000 0.945 297 K CB 0.032 32.552 32.500 0.034 0.000 0.732 297 K HN 0.156 nan 8.250 nan 0.000 0.451 298 E N 0.681 120.926 120.200 0.075 0.000 2.385 298 E HA 0.046 4.402 4.350 0.009 0.000 0.194 298 E C -0.009 176.603 176.600 0.021 0.000 1.013 298 E CA -0.172 56.260 56.400 0.053 0.000 0.866 298 E CB 0.145 29.893 29.700 0.081 0.000 0.832 298 E HN 0.168 nan 8.360 nan 0.000 0.500 299 L N 2.433 123.689 121.223 0.055 0.000 2.559 299 L HA 0.008 4.353 4.340 0.009 0.000 0.282 299 L C 0.380 177.229 176.870 -0.035 0.000 1.232 299 L CA 0.484 55.330 54.840 0.009 0.000 0.885 299 L CB 0.154 42.283 42.059 0.118 0.000 1.131 299 L HN 0.158 nan 8.230 nan 0.000 0.498 300 T N -0.339 114.146 114.554 -0.116 0.000 2.868 300 T HA 0.372 4.727 4.350 0.009 0.000 0.306 300 T C -2.321 172.292 174.700 -0.146 0.000 1.224 300 T CA -1.508 60.531 62.100 -0.102 0.000 1.012 300 T CB 1.942 70.746 68.868 -0.108 0.000 1.221 300 T HN 0.168 nan 8.240 nan 0.000 0.499 301 P HA -0.109 nan 4.420 nan 0.000 0.216 301 P C 1.490 178.704 177.300 -0.142 0.000 1.150 301 P CA 1.163 64.192 63.100 -0.118 0.000 0.837 301 P CB 0.120 31.766 31.700 -0.091 0.000 0.786 302 E N -0.338 119.782 120.200 -0.133 0.000 2.106 302 E HA -0.075 4.280 4.350 0.009 0.000 0.192 302 E C 2.111 178.579 176.600 -0.220 0.000 0.984 302 E CA 0.889 57.213 56.400 -0.126 0.000 0.806 302 E CB -1.513 28.138 29.700 -0.082 0.000 0.750 302 E HN 0.100 nan 8.360 nan 0.000 0.458 303 V N 1.466 121.182 119.914 -0.330 0.000 2.295 303 V HA -0.237 3.888 4.120 0.009 0.000 0.246 303 V C 2.506 178.055 176.094 -0.909 0.000 1.049 303 V CA 1.418 63.351 62.300 -0.611 0.000 1.024 303 V CB -0.517 30.915 31.823 -0.652 0.000 0.648 303 V HN 0.116 nan 8.190 nan 0.000 0.447 304 L N -0.270 120.549 121.223 -0.674 0.000 2.012 304 L HA -0.223 4.122 4.340 0.009 0.000 0.210 304 L C 2.529 179.275 176.870 -0.206 0.000 1.073 304 L CA 2.115 56.686 54.840 -0.449 0.000 0.748 304 L CB -0.926 40.927 42.059 -0.342 0.000 0.891 304 L HN 0.382 nan 8.230 nan 0.000 0.431 305 Q N -0.322 119.383 119.800 -0.157 0.000 2.096 305 Q HA -0.251 4.094 4.340 0.009 0.000 0.204 305 Q C 2.212 178.204 176.000 -0.013 0.000 0.982 305 Q CA 2.021 57.799 55.803 -0.043 0.000 0.850 305 Q CB -0.328 28.415 28.738 0.010 0.000 0.901 305 Q HN 0.566 nan 8.270 nan 0.000 0.422 306 E N -1.281 118.881 120.200 -0.063 0.000 2.077 306 E HA -0.179 4.176 4.350 0.009 0.000 0.193 306 E C 1.394 178.075 176.600 0.136 0.000 0.989 306 E CA 1.227 57.629 56.400 0.003 0.000 0.800 306 E CB -0.213 29.461 29.700 -0.044 0.000 0.746 306 E HN 0.478 nan 8.360 nan 0.000 0.452 307 W N 1.122 122.400 121.300 -0.037 0.000 2.338 307 W HA -0.120 4.545 4.660 0.009 0.000 0.304 307 W C 2.344 178.833 176.519 -0.051 0.000 1.212 307 W CA 0.548 57.864 57.345 -0.050 0.000 1.264 307 W CB -1.093 28.330 29.460 -0.061 0.000 1.142 307 W HN 0.145 nan 8.180 nan 0.000 0.512 308 L N -0.103 121.235 121.223 0.191 0.000 2.083 308 L HA -0.221 4.125 4.340 0.009 0.000 0.209 308 L C 2.025 178.936 176.870 0.068 0.000 1.083 308 L CA 1.422 56.319 54.840 0.096 0.000 0.752 308 L CB -0.925 41.170 42.059 0.061 0.000 0.899 308 L HN -0.118 nan 8.230 nan 0.000 0.433 309 D N 0.077 120.516 120.400 0.064 0.000 2.218 309 D HA -0.177 4.469 4.640 0.009 0.000 0.204 309 D C 1.958 178.283 176.300 0.041 0.000 0.976 309 D CA 1.089 55.114 54.000 0.042 0.000 0.853 309 D CB -0.013 40.807 40.800 0.033 0.000 0.939 309 D HN 0.459 nan 8.370 nan 0.000 0.481 310 E N -0.299 119.935 120.200 0.057 0.000 2.371 310 E HA -0.024 4.332 4.350 0.009 0.000 0.194 310 E C 0.205 176.811 176.600 0.010 0.000 1.012 310 E CA -0.315 56.105 56.400 0.035 0.000 0.860 310 E CB 0.289 30.015 29.700 0.044 0.000 0.811 310 E HN 0.076 nan 8.360 nan 0.000 0.502 311 L N 1.852 123.083 121.223 0.014 0.000 2.525 311 L HA 0.027 4.373 4.340 0.009 0.000 0.278 311 L C 0.005 176.891 176.870 0.027 0.000 1.218 311 L CA 0.941 55.787 54.840 0.009 0.000 0.878 311 L CB 0.327 42.401 42.059 0.025 0.000 1.127 311 L HN -0.052 nan 8.230 nan 0.000 0.492 312 E N 2.141 122.367 120.200 0.044 0.000 2.331 312 E HA 0.312 4.668 4.350 0.009 0.000 0.275 312 E C -1.046 175.591 176.600 0.061 0.000 0.895 312 E CA -0.641 55.786 56.400 0.045 0.000 0.753 312 E CB 1.218 30.941 29.700 0.038 0.000 1.216 312 E HN 0.505 nan 8.360 nan 0.000 0.434 313 E N 2.730 122.949 120.200 0.031 0.000 2.481 313 E HA 0.118 4.473 4.350 0.009 0.000 0.263 313 E C -0.351 176.255 176.600 0.011 0.000 0.992 313 E CA 0.728 57.133 56.400 0.009 0.000 0.938 313 E CB 0.570 30.255 29.700 -0.025 0.000 0.933 313 E HN 0.403 nan 8.360 nan 0.000 0.453 314 M N 2.815 122.409 119.600 -0.009 0.000 2.426 314 M HA 0.170 4.656 4.480 0.009 0.000 0.289 314 M C -1.579 174.678 176.300 -0.071 0.000 1.168 314 M CA -0.719 54.568 55.300 -0.021 0.000 0.933 314 M CB 1.661 34.277 32.600 0.027 0.000 1.750 314 M HN 0.383 nan 8.290 nan 0.000 0.494 315 M N 4.218 123.769 119.600 -0.082 0.000 2.219 315 M HA 0.471 4.957 4.480 0.009 0.000 0.353 315 M C -0.997 175.249 176.300 -0.089 0.000 1.304 315 M CA 0.257 55.496 55.300 -0.102 0.000 1.115 315 M CB 0.354 32.902 32.600 -0.087 0.000 1.664 315 M HN 0.752 nan 8.290 nan 0.000 0.459 316 L N 2.654 123.832 121.223 -0.075 0.000 2.622 316 L HA 0.559 4.905 4.340 0.009 0.000 0.258 316 L C -1.526 175.314 176.870 -0.050 0.000 0.996 316 L CA -0.712 54.080 54.840 -0.079 0.000 0.858 316 L CB 2.229 44.228 42.059 -0.099 0.000 1.449 316 L HN 0.362 nan 8.230 nan 0.000 0.411 317 V N 3.414 123.302 119.914 -0.044 0.000 2.350 317 V HA 0.418 4.543 4.120 0.009 0.000 0.276 317 V C -0.237 175.870 176.094 0.021 0.000 1.028 317 V CA -0.557 61.718 62.300 -0.042 0.000 0.860 317 V CB 1.236 33.113 31.823 0.089 0.000 0.990 317 V HN 0.418 nan 8.190 nan 0.000 0.453 318 V N 5.235 125.074 119.914 -0.124 0.000 2.394 318 V HA 0.447 4.572 4.120 0.009 0.000 0.282 318 V C -0.636 175.479 176.094 0.036 0.000 1.031 318 V CA -0.564 61.710 62.300 -0.044 0.000 0.881 318 V CB 1.335 32.962 31.823 -0.328 0.000 0.982 318 V HN 0.931 nan 8.190 nan 0.000 0.451 319 H N 4.574 123.749 119.070 0.176 0.000 2.708 319 H HA 0.681 5.242 4.556 0.009 0.000 0.320 319 H C -0.423 175.012 175.328 0.179 0.000 0.991 319 H CA -0.345 55.823 56.048 0.200 0.000 1.243 319 H CB 1.325 31.195 29.762 0.181 0.000 1.446 319 H HN 0.518 nan 8.280 nan 0.000 0.502 320 M N 4.659 124.382 119.600 0.205 0.000 2.271 320 M HA 0.318 4.803 4.480 0.009 0.000 0.285 320 M C -2.969 173.386 176.300 0.091 0.000 1.059 320 M CA -1.890 53.485 55.300 0.125 0.000 0.940 320 M CB 2.926 35.528 32.600 0.003 0.000 1.636 320 M HN 0.357 nan 8.290 nan 0.000 0.460 321 P HA 0.251 nan 4.420 nan 0.000 0.279 321 P C -1.502 175.935 177.300 0.229 0.000 1.239 321 P CA -0.341 62.897 63.100 0.230 0.000 0.789 321 P CB 0.410 32.301 31.700 0.317 0.000 0.933 322 R N 2.713 123.250 120.500 0.062 0.000 2.438 322 R HA 0.633 4.979 4.340 0.009 0.000 0.287 322 R C -0.156 176.164 176.300 0.034 0.000 1.077 322 R CA -0.294 55.772 56.100 -0.056 0.000 1.034 322 R CB -0.149 30.096 30.300 -0.093 0.000 0.993 322 R HN 0.424 nan 8.270 nan 0.000 0.459 323 F N -1.437 118.494 119.950 -0.032 0.000 2.643 323 F HA 0.625 5.161 4.527 0.015 0.000 0.314 323 F C -0.883 174.823 175.800 -0.158 0.000 1.096 323 F CA -1.601 56.343 58.000 -0.093 0.000 0.953 323 F CB 1.853 40.795 39.000 -0.096 0.000 1.345 323 F HN 0.476 nan 8.300 nan 0.000 0.468 324 R N 2.465 122.990 120.500 0.041 0.000 2.502 324 R HA 0.689 5.034 4.340 0.009 0.000 0.298 324 R C -2.273 173.921 176.300 -0.175 0.000 1.018 324 R CA -0.515 55.485 56.100 -0.168 0.000 0.899 324 R CB 1.418 31.634 30.300 -0.140 0.000 1.181 324 R HN 0.916 nan 8.270 nan 0.000 0.444 325 I N 2.916 123.283 120.570 -0.338 0.000 2.418 325 I HA 0.312 4.488 4.170 0.009 0.000 0.287 325 I C -0.469 175.442 176.117 -0.344 0.000 1.008 325 I CA -0.549 60.593 61.300 -0.263 0.000 1.104 325 I CB 2.143 40.045 38.000 -0.164 0.000 1.264 325 I HN 0.527 nan 8.210 nan 0.000 0.438 326 E N 5.000 125.136 120.200 -0.107 0.000 2.186 326 E HA 0.328 4.683 4.350 0.009 0.000 0.255 326 E C -1.629 175.040 176.600 0.115 0.000 0.881 326 E CA -0.527 55.922 56.400 0.081 0.000 0.752 326 E CB 1.130 30.942 29.700 0.186 0.000 1.176 326 E HN 0.466 nan 8.360 nan 0.000 0.421 327 D N 2.847 123.360 120.400 0.190 0.000 2.481 327 D HA 0.410 5.056 4.640 0.009 0.000 0.246 327 D C -0.804 175.496 176.300 0.001 0.000 1.109 327 D CA -0.248 53.787 54.000 0.058 0.000 0.845 327 D CB 1.599 42.477 40.800 0.130 0.000 1.160 327 D HN 0.460 nan 8.370 nan 0.000 0.534 328 G N 2.322 111.040 108.800 -0.137 0.000 2.335 328 G HA2 0.546 4.511 3.960 0.009 0.000 0.316 328 G HA3 0.546 4.511 3.960 0.009 0.000 0.316 328 G C -0.891 173.904 174.900 -0.176 0.000 1.129 328 G CA -0.391 44.691 45.100 -0.030 0.000 0.899 328 G HN 0.303 nan 8.290 nan 0.000 0.448 329 F N 0.531 120.611 119.950 0.216 0.000 2.538 329 F HA 0.641 5.173 4.527 0.008 0.000 0.325 329 F C 0.660 176.632 175.800 0.287 0.000 1.066 329 F CA -0.865 57.287 58.000 0.254 0.000 0.946 329 F CB 2.894 42.090 39.000 0.327 0.000 1.199 329 F HN 0.355 nan 8.300 nan 0.000 0.473 330 S N 2.380 118.311 115.700 0.385 0.000 2.542 330 S HA 0.391 4.867 4.470 0.009 0.000 0.245 330 S C 0.698 175.370 174.600 0.121 0.000 1.325 330 S CA -0.499 57.796 58.200 0.158 0.000 1.176 330 S CB -0.043 63.252 63.200 0.159 0.000 1.045 330 S HN 0.670 nan 8.310 nan 0.000 0.481 331 L N 3.295 124.602 121.223 0.140 0.000 2.265 331 L HA -0.033 4.312 4.340 0.009 0.000 0.215 331 L C 2.645 179.527 176.870 0.020 0.000 1.117 331 L CA 0.850 55.800 54.840 0.184 0.000 0.782 331 L CB -0.271 41.953 42.059 0.275 0.000 0.914 331 L HN 0.545 nan 8.230 nan 0.000 0.441 332 K N 0.968 121.254 120.400 -0.190 0.000 2.032 332 K HA -0.286 4.039 4.320 0.009 0.000 0.209 332 K C 2.024 178.392 176.600 -0.386 0.000 1.048 332 K CA 2.090 58.038 56.287 -0.565 0.000 0.927 332 K CB -0.028 32.027 32.500 -0.742 0.000 0.712 332 K HN 0.386 nan 8.250 nan 0.000 0.441 333 E N 0.545 120.627 120.200 -0.197 0.000 2.038 333 E HA -0.303 4.053 4.350 0.009 0.000 0.195 333 E C 2.205 178.744 176.600 -0.103 0.000 1.000 333 E CA 1.822 58.151 56.400 -0.119 0.000 0.803 333 E CB -0.106 29.561 29.700 -0.054 0.000 0.750 333 E HN 0.412 nan 8.360 nan 0.000 0.448 334 Q N 0.143 119.883 119.800 -0.101 0.000 2.084 334 Q HA -0.161 4.184 4.340 0.009 0.000 0.202 334 Q C 2.359 178.252 176.000 -0.177 0.000 0.978 334 Q CA 1.569 57.245 55.803 -0.212 0.000 0.844 334 Q CB -0.087 28.484 28.738 -0.277 0.000 0.898 334 Q HN 0.390 nan 8.270 nan 0.000 0.426 335 L N 0.185 121.378 121.223 -0.050 0.000 2.046 335 L HA -0.229 4.116 4.340 0.009 0.000 0.208 335 L C 2.656 179.531 176.870 0.007 0.000 1.077 335 L CA 1.505 56.339 54.840 -0.010 0.000 0.747 335 L CB -0.437 41.649 42.059 0.045 0.000 0.896 335 L HN 0.333 nan 8.230 nan 0.000 0.432 336 Q N -0.324 119.473 119.800 -0.005 0.000 2.096 336 Q HA -0.272 4.074 4.340 0.009 0.000 0.204 336 Q C 1.850 177.862 176.000 0.018 0.000 0.982 336 Q CA 1.934 57.762 55.803 0.042 0.000 0.850 336 Q CB -0.136 28.599 28.738 -0.004 0.000 0.901 336 Q HN 0.377 nan 8.270 nan 0.000 0.422 337 D N -0.137 120.255 120.400 -0.014 0.000 2.218 337 D HA -0.125 4.521 4.640 0.009 0.000 0.204 337 D C 1.326 177.647 176.300 0.035 0.000 0.976 337 D CA 1.070 55.083 54.000 0.021 0.000 0.853 337 D CB 0.127 40.958 40.800 0.050 0.000 0.939 337 D HN 0.193 nan 8.370 nan 0.000 0.481 338 M N -1.791 117.796 119.600 -0.023 0.000 2.561 338 M HA 0.217 4.703 4.480 0.009 0.000 0.238 338 M C 1.345 177.639 176.300 -0.010 0.000 1.131 338 M CA 0.704 55.994 55.300 -0.016 0.000 1.046 338 M CB 0.978 33.533 32.600 -0.075 0.000 1.532 338 M HN 0.237 nan 8.290 nan 0.000 0.497 339 G N 0.276 109.081 108.800 0.009 0.000 2.617 339 G HA2 -0.171 3.795 3.960 0.009 0.000 0.197 339 G HA3 -0.171 3.795 3.960 0.009 0.000 0.197 339 G C -0.246 174.682 174.900 0.046 0.000 1.017 339 G CA -0.699 44.413 45.100 0.020 0.000 0.713 339 G HN 0.216 nan 8.290 nan 0.000 0.481 340 L N 3.296 124.552 121.223 0.056 0.000 2.536 340 L HA 0.591 4.936 4.340 0.009 0.000 0.282 340 L C 1.316 178.328 176.870 0.237 0.000 1.174 340 L CA 0.487 55.398 54.840 0.120 0.000 0.989 340 L CB 0.767 42.900 42.059 0.124 0.000 1.311 340 L HN 0.136 nan 8.230 nan 0.000 0.455 341 V N 2.343 122.360 119.914 0.171 0.000 2.743 341 V HA 0.045 4.170 4.120 0.009 0.000 0.237 341 V C 1.594 177.790 176.094 0.171 0.000 1.113 341 V CA 0.627 63.049 62.300 0.203 0.000 1.141 341 V CB -0.395 31.498 31.823 0.117 0.000 0.873 341 V HN 0.537 nan 8.190 nan 0.000 0.486 342 D N 0.996 121.447 120.400 0.085 0.000 2.133 342 D HA -0.214 4.431 4.640 0.009 0.000 0.195 342 D C 1.934 178.245 176.300 0.018 0.000 0.997 342 D CA 1.441 55.471 54.000 0.049 0.000 0.840 342 D CB -0.432 40.388 40.800 0.033 0.000 0.947 342 D HN 0.288 nan 8.370 nan 0.000 0.452 343 L N -0.297 120.879 121.223 -0.078 0.000 2.089 343 L HA -0.181 4.165 4.340 0.009 0.000 0.213 343 L C 1.339 178.064 176.870 -0.241 0.000 1.079 343 L CA 1.595 56.296 54.840 -0.233 0.000 0.758 343 L CB -0.436 41.340 42.059 -0.471 0.000 0.891 343 L HN -0.039 nan 8.230 nan 0.000 0.433 344 F N -0.789 119.274 119.950 0.188 0.000 2.693 344 F HA 0.256 4.788 4.527 0.009 0.000 0.303 344 F C 0.990 176.894 175.800 0.174 0.000 1.143 344 F CA 0.092 58.240 58.000 0.246 0.000 1.389 344 F CB -0.741 38.360 39.000 0.168 0.000 1.060 344 F HN 0.156 nan 8.300 nan 0.000 0.535 345 S N -1.283 114.521 115.700 0.172 0.000 2.594 345 S HA 0.460 4.936 4.470 0.009 0.000 0.296 345 S C -2.239 172.288 174.600 -0.121 0.000 1.124 345 S CA -1.578 56.588 58.200 -0.055 0.000 1.011 345 S CB 2.529 65.728 63.200 -0.002 0.000 1.016 345 S HN -0.236 nan 8.310 nan 0.000 0.485 346 P HA -0.175 nan 4.420 nan 0.000 0.215 346 P C 1.309 178.578 177.300 -0.053 0.000 1.157 346 P CA 1.463 64.441 63.100 -0.204 0.000 0.874 346 P CB 0.110 31.633 31.700 -0.294 0.000 0.790 347 E N 0.418 120.581 120.200 -0.062 0.000 2.028 347 E HA -0.155 4.200 4.350 0.009 0.000 0.191 347 E C 1.754 178.351 176.600 -0.004 0.000 0.988 347 E CA 1.404 57.789 56.400 -0.025 0.000 0.799 347 E CB -0.802 28.881 29.700 -0.028 0.000 0.755 347 E HN 0.419 nan 8.360 nan 0.000 0.447 348 K N 1.425 121.825 120.400 0.001 0.000 2.211 348 K HA 0.055 4.381 4.320 0.009 0.000 0.201 348 K C 1.198 177.811 176.600 0.023 0.000 1.052 348 K CA 0.407 56.702 56.287 0.014 0.000 0.973 348 K CB -0.023 32.489 32.500 0.020 0.000 0.766 348 K HN 0.070 nan 8.250 nan 0.000 0.466 349 S N 2.144 117.864 115.700 0.034 0.000 2.573 349 S HA -0.014 4.461 4.470 0.009 0.000 0.297 349 S C 0.014 174.632 174.600 0.030 0.000 1.280 349 S CA -0.044 58.180 58.200 0.040 0.000 1.061 349 S CB 0.381 63.630 63.200 0.081 0.000 0.812 349 S HN -0.010 nan 8.310 nan 0.000 0.500 350 K N 2.932 123.343 120.400 0.017 0.000 2.530 350 K HA 0.393 4.718 4.320 0.009 0.000 0.230 350 K C -1.476 175.123 176.600 -0.003 0.000 1.002 350 K CA -0.478 55.814 56.287 0.009 0.000 1.014 350 K CB 1.029 33.533 32.500 0.007 0.000 1.286 350 K HN 0.521 nan 8.250 nan 0.000 0.480 351 L N 5.059 126.282 121.223 0.000 0.000 2.457 351 L HA 0.299 4.644 4.340 0.009 0.000 0.252 351 L C -1.487 175.375 176.870 -0.013 0.000 1.132 351 L CA -1.832 52.999 54.840 -0.014 0.000 0.938 351 L CB 1.397 43.463 42.059 0.011 0.000 1.246 351 L HN 0.185 nan 8.230 nan 0.000 0.476 352 P HA -0.004 nan 4.420 nan 0.000 0.233 352 P C 1.304 178.597 177.300 -0.011 0.000 1.167 352 P CA 0.553 63.641 63.100 -0.019 0.000 0.770 352 P CB 0.545 32.232 31.700 -0.021 0.000 0.837 353 G N -0.097 108.689 108.800 -0.023 0.000 2.534 353 G HA2 0.022 3.987 3.960 0.009 0.000 0.217 353 G HA3 0.022 3.987 3.960 0.009 0.000 0.217 353 G C 0.728 175.744 174.900 0.193 0.000 1.128 353 G CA 0.152 45.291 45.100 0.065 0.000 0.784 353 G HN 0.259 nan 8.290 nan 0.000 0.542 354 I N -0.218 120.402 120.570 0.083 0.000 2.562 354 I HA 0.597 4.773 4.170 0.009 0.000 0.301 354 I C -0.819 175.239 176.117 -0.098 0.000 1.003 354 I CA -0.941 60.312 61.300 -0.078 0.000 1.127 354 I CB 2.560 40.496 38.000 -0.106 0.000 1.304 354 I HN -0.245 nan 8.210 nan 0.000 0.446 355 V N 3.608 123.428 119.914 -0.157 0.000 3.048 355 V HA 0.870 4.996 4.120 0.009 0.000 0.303 355 V C -1.294 174.737 176.094 -0.106 0.000 1.214 355 V CA -0.388 61.856 62.300 -0.094 0.000 0.984 355 V CB 2.262 34.049 31.823 -0.061 0.000 1.054 355 V HN 0.869 nan 8.190 nan 0.000 0.430 356 A N 2.677 125.459 122.820 -0.063 0.000 2.465 356 A HA 0.729 5.054 4.320 0.009 0.000 0.292 356 A C -0.820 176.749 177.584 -0.026 0.000 1.041 356 A CA -0.599 51.408 52.037 -0.050 0.000 0.718 356 A CB 1.533 20.506 19.000 -0.044 0.000 1.266 356 A HN 0.880 nan 8.150 nan 0.000 0.403 357 E N 1.401 121.587 120.200 -0.023 0.000 2.729 357 E HA 0.318 4.673 4.350 0.009 0.000 0.246 357 E C 1.287 177.884 176.600 -0.005 0.000 0.984 357 E CA 1.938 58.330 56.400 -0.013 0.000 0.951 357 E CB -0.154 29.539 29.700 -0.011 0.000 0.914 357 E HN 2.061 nan 8.360 nan 0.000 0.509 358 G N 4.693 113.491 108.800 -0.003 0.000 2.305 358 G HA2 -0.322 3.643 3.960 0.009 0.000 0.287 358 G HA3 -0.322 3.643 3.960 0.009 0.000 0.287 358 G C -0.344 174.560 174.900 0.007 0.000 1.036 358 G CA 0.720 45.821 45.100 0.002 0.000 0.887 358 G HN 0.713 nan 8.290 nan 0.000 0.505 359 R N -1.224 119.280 120.500 0.007 0.000 2.523 359 R HA 0.499 4.845 4.340 0.009 0.000 0.278 359 R C -1.353 174.958 176.300 0.018 0.000 1.150 359 R CA -1.009 55.101 56.100 0.017 0.000 0.987 359 R CB 1.231 31.546 30.300 0.025 0.000 1.232 359 R HN -0.035 nan 8.270 nan 0.000 0.424 360 D N 3.112 123.525 120.400 0.022 0.000 2.755 360 D HA 0.026 4.672 4.640 0.009 0.000 0.257 360 D C -0.326 175.997 176.300 0.039 0.000 1.291 360 D CA 0.056 54.071 54.000 0.024 0.000 0.836 360 D CB 0.761 41.571 40.800 0.015 0.000 1.059 360 D HN 0.685 nan 8.370 nan 0.000 0.486 361 D N 0.036 120.472 120.400 0.060 0.000 2.696 361 D HA 0.024 4.670 4.640 0.009 0.000 0.269 361 D C 0.297 176.714 176.300 0.194 0.000 1.319 361 D CA -0.346 53.709 54.000 0.093 0.000 0.826 361 D CB 0.102 40.944 40.800 0.071 0.000 1.086 361 D HN 0.129 nan 8.370 nan 0.000 0.481 362 L N 1.668 122.979 121.223 0.146 0.000 2.367 362 L HA 0.299 4.645 4.340 0.009 0.000 0.275 362 L C -0.380 176.630 176.870 0.234 0.000 1.129 362 L CA -0.427 54.503 54.840 0.150 0.000 0.839 362 L CB 0.110 42.195 42.059 0.044 0.000 1.133 362 L HN 0.163 nan 8.230 nan 0.000 0.453 363 Y N 0.947 121.269 120.300 0.038 0.000 2.638 363 Y HA 0.578 5.133 4.550 0.009 0.000 0.335 363 Y C -1.037 174.905 175.900 0.070 0.000 1.155 363 Y CA -1.497 56.627 58.100 0.040 0.000 1.046 363 Y CB 0.852 39.346 38.460 0.056 0.000 1.303 363 Y HN 0.068 nan 8.280 nan 0.000 0.460 364 V N 2.799 122.695 119.914 -0.030 0.000 2.455 364 V HA 0.127 4.252 4.120 0.009 0.000 0.273 364 V C 0.827 176.987 176.094 0.109 0.000 1.045 364 V CA 0.489 62.771 62.300 -0.030 0.000 0.976 364 V CB 0.759 32.589 31.823 0.011 0.000 0.993 364 V HN 1.046 nan 8.190 nan 0.000 0.475 365 S N 2.828 118.474 115.700 -0.089 0.000 2.387 365 S HA -0.012 4.463 4.470 0.009 0.000 0.226 365 S C 0.581 175.289 174.600 0.180 0.000 1.026 365 S CA 0.987 59.217 58.200 0.050 0.000 0.972 365 S CB -0.059 63.101 63.200 -0.067 0.000 0.814 365 S HN 0.936 nan 8.310 nan 0.000 0.477 366 D N -2.408 118.084 120.400 0.153 0.000 2.764 366 D HA 0.467 5.113 4.640 0.009 0.000 0.293 366 D C -1.952 174.332 176.300 -0.027 0.000 1.287 366 D CA -0.293 53.688 54.000 -0.033 0.000 0.768 366 D CB 1.853 42.434 40.800 -0.365 0.000 1.288 366 D HN 0.110 nan 8.370 nan 0.000 0.426 367 A N 1.418 124.126 122.820 -0.187 0.000 2.375 367 A HA 0.634 4.959 4.320 0.009 0.000 0.291 367 A C -1.440 176.039 177.584 -0.175 0.000 1.160 367 A CA -0.473 51.559 52.037 -0.010 0.000 0.747 367 A CB 0.171 19.385 19.000 0.357 0.000 1.170 367 A HN 0.249 nan 8.150 nan 0.000 0.458 368 F N 1.839 121.947 119.950 0.264 0.000 2.410 368 F HA 0.532 5.064 4.527 0.009 0.000 0.349 368 F C 0.461 176.472 175.800 0.351 0.000 1.117 368 F CA 0.151 58.319 58.000 0.281 0.000 1.104 368 F CB 1.412 40.541 39.000 0.217 0.000 1.122 368 F HN 0.723 nan 8.300 nan 0.000 0.483 369 H N 2.807 122.142 119.070 0.442 0.000 2.782 369 H HA 0.523 5.085 4.556 0.010 0.000 0.347 369 H C -1.455 174.163 175.328 0.483 0.000 1.038 369 H CA -1.020 55.257 56.048 0.381 0.000 1.255 369 H CB 1.506 31.423 29.762 0.258 0.000 1.623 369 H HN 0.632 nan 8.280 nan 0.000 0.525 370 K N 3.822 124.176 120.400 -0.078 0.000 2.482 370 K HA 0.808 5.134 4.320 0.009 0.000 0.251 370 K C -1.819 174.770 176.600 -0.019 0.000 0.936 370 K CA -0.782 55.515 56.287 0.017 0.000 0.791 370 K CB 1.612 34.196 32.500 0.140 0.000 1.213 370 K HN 0.663 nan 8.250 nan 0.000 0.428 371 A N 3.487 126.407 122.820 0.168 0.000 2.401 371 A HA 0.756 5.081 4.320 0.009 0.000 0.310 371 A C -1.883 176.055 177.584 0.589 0.000 1.075 371 A CA -0.618 51.676 52.037 0.429 0.000 0.746 371 A CB 0.792 20.062 19.000 0.451 0.000 1.277 371 A HN 0.658 nan 8.150 nan 0.000 0.425 372 F N 1.933 122.131 119.950 0.413 0.000 2.539 372 F HA 0.696 5.225 4.527 0.003 0.000 0.318 372 F C -1.417 174.347 175.800 -0.061 0.000 1.135 372 F CA -0.887 57.218 58.000 0.176 0.000 0.915 372 F CB 1.868 40.956 39.000 0.146 0.000 1.176 372 F HN 0.538 nan 8.300 nan 0.000 0.440 373 L N 5.602 126.229 121.223 -0.993 0.000 2.436 373 L HA 0.531 4.877 4.340 0.009 0.000 0.268 373 L C -1.473 174.895 176.870 -0.837 0.000 0.974 373 L CA -0.243 54.057 54.840 -0.900 0.000 0.826 373 L CB 1.997 43.260 42.059 -1.327 0.000 1.291 373 L HN 0.698 nan 8.230 nan 0.000 0.406 374 E N 4.105 124.014 120.200 -0.484 0.000 2.279 374 E HA 0.499 4.855 4.350 0.009 0.000 0.252 374 E C -1.846 174.538 176.600 -0.361 0.000 0.894 374 E CA -0.552 55.630 56.400 -0.363 0.000 0.785 374 E CB 1.733 31.381 29.700 -0.087 0.000 1.237 374 E HN 0.496 nan 8.360 nan 0.000 0.418 375 V N 5.881 125.462 119.914 -0.556 0.000 2.394 375 V HA 0.390 4.516 4.120 0.009 0.000 0.282 375 V C 0.200 176.107 176.094 -0.312 0.000 1.031 375 V CA -0.334 61.668 62.300 -0.497 0.000 0.881 375 V CB 1.115 32.465 31.823 -0.789 0.000 0.982 375 V HN 0.793 nan 8.190 nan 0.000 0.451 376 N N 2.321 120.937 118.700 -0.139 0.000 3.439 376 N HA 0.400 5.146 4.740 0.009 0.000 0.343 376 N C 0.204 175.791 175.510 0.127 0.000 1.597 376 N CA -0.783 52.237 53.050 -0.049 0.000 0.733 376 N CB 1.543 40.000 38.487 -0.049 0.000 1.973 376 N HN 0.258 nan 8.380 nan 0.000 0.646 377 E N 0.001 120.277 120.200 0.127 0.000 2.204 377 E HA -0.075 4.280 4.350 0.009 0.000 0.194 377 E C 1.017 177.893 176.600 0.460 0.000 0.989 377 E CA 1.077 57.657 56.400 0.300 0.000 0.824 377 E CB 0.047 29.871 29.700 0.206 0.000 0.756 377 E HN 0.433 nan 8.360 nan 0.000 0.477 378 E N -0.461 119.882 120.200 0.239 0.000 2.230 378 E HA 0.124 4.480 4.350 0.009 0.000 0.192 378 E C 1.011 177.605 176.600 -0.010 0.000 0.987 378 E CA 0.887 57.389 56.400 0.169 0.000 0.841 378 E CB 0.725 30.455 29.700 0.050 0.000 0.783 378 E HN 0.232 nan 8.360 nan 0.000 0.481 379 G N 0.556 109.146 108.800 -0.349 0.000 2.288 379 G HA2 -0.127 3.838 3.960 0.009 0.000 0.227 379 G HA3 -0.127 3.838 3.960 0.009 0.000 0.227 379 G C -1.043 173.516 174.900 -0.568 0.000 1.339 379 G CA -0.169 44.359 45.100 -0.953 0.000 1.057 379 G HN 0.066 nan 8.290 nan 0.000 0.470 380 S N 0.726 116.168 115.700 -0.430 0.000 2.452 380 S HA 0.480 4.956 4.470 0.009 0.000 0.284 380 S C 0.366 174.726 174.600 -0.401 0.000 1.171 380 S CA 0.826 58.792 58.200 -0.391 0.000 1.064 380 S CB 0.294 63.255 63.200 -0.398 0.000 0.967 380 S HN 0.893 nan 8.310 nan 0.000 0.484 381 E N 1.380 121.430 120.200 -0.251 0.000 2.273 381 E HA -0.218 4.138 4.350 0.009 0.000 0.177 381 E C -0.566 175.928 176.600 -0.175 0.000 1.511 381 E CA 1.070 57.373 56.400 -0.161 0.000 0.675 381 E CB -1.512 28.066 29.700 -0.204 0.000 1.094 381 E HN 1.002 nan 8.360 nan 0.000 0.348 382 A N 0.233 122.975 122.820 -0.130 0.000 2.549 382 A HA 0.635 4.961 4.320 0.009 0.000 0.306 382 A C -1.087 176.460 177.584 -0.062 0.000 1.053 382 A CA 0.102 52.079 52.037 -0.099 0.000 0.892 382 A CB 1.307 20.230 19.000 -0.129 0.000 1.329 382 A HN 0.673 nan 8.150 nan 0.000 0.388 383 A N 1.450 124.251 122.820 -0.032 0.000 2.375 383 A HA 1.028 5.354 4.320 0.009 0.000 0.291 383 A C -0.037 177.548 177.584 0.003 0.000 1.160 383 A CA 0.391 52.421 52.037 -0.012 0.000 0.747 383 A CB 0.657 19.651 19.000 -0.010 0.000 1.170 383 A HN 2.674 nan 8.150 nan 0.000 0.458 384 A N 1.021 123.852 122.820 0.018 0.000 2.594 384 A HA 0.899 5.224 4.320 0.009 0.000 0.307 384 A C -0.409 177.198 177.584 0.038 0.000 1.203 384 A CA 0.109 52.160 52.037 0.024 0.000 0.644 384 A CB 0.469 19.482 19.000 0.021 0.000 1.349 384 A HN 1.707 nan 8.150 nan 0.000 0.510 385 S N -0.140 115.583 115.700 0.038 0.000 2.474 385 S HA 0.621 5.096 4.470 0.009 0.000 0.321 385 S C -0.990 173.642 174.600 0.052 0.000 1.080 385 S CA -0.060 58.168 58.200 0.045 0.000 1.106 385 S CB 0.440 63.661 63.200 0.036 0.000 0.984 385 S HN 0.752 nan 8.310 nan 0.000 0.464 386 T N 4.434 119.030 114.554 0.069 0.000 3.317 386 T HA 0.478 4.834 4.350 0.009 0.000 0.361 386 T C 0.169 174.914 174.700 0.074 0.000 1.499 386 T CA -0.348 61.794 62.100 0.071 0.000 1.529 386 T CB 0.493 69.410 68.868 0.082 0.000 0.997 386 T HN 0.826 nan 8.240 nan 0.000 0.624 387 A N 2.034 124.889 122.820 0.059 0.000 2.520 387 A HA 0.551 4.876 4.320 0.009 0.000 0.235 387 A C 0.235 177.848 177.584 0.049 0.000 1.065 387 A CA -0.077 51.993 52.037 0.056 0.000 0.764 387 A CB 0.288 19.314 19.000 0.043 0.000 1.002 387 A HN 0.552 nan 8.150 nan 0.000 0.502 388 V N 2.555 122.498 119.914 0.049 0.000 2.495 388 V HA 0.440 4.566 4.120 0.009 0.000 0.298 388 V C -0.444 175.666 176.094 0.027 0.000 1.031 388 V CA -0.472 61.848 62.300 0.034 0.000 0.871 388 V CB 1.708 33.549 31.823 0.030 0.000 0.988 388 V HN 0.627 nan 8.190 nan 0.000 0.432 389 V N 6.471 126.395 119.914 0.016 0.000 2.350 389 V HA 0.508 4.633 4.120 0.009 0.000 0.285 389 V C -0.332 175.764 176.094 0.002 0.000 1.014 389 V CA -0.267 62.040 62.300 0.012 0.000 0.831 389 V CB 1.520 33.350 31.823 0.011 0.000 1.000 389 V HN 0.697 nan 8.190 nan 0.000 0.433 390 I N 4.704 125.275 120.570 0.001 0.000 2.390 390 I HA 0.700 4.875 4.170 0.009 0.000 0.283 390 I C 0.340 176.453 176.117 -0.006 0.000 1.016 390 I CA -0.307 60.988 61.300 -0.009 0.000 1.151 390 I CB 1.570 39.560 38.000 -0.016 0.000 1.293 390 I HN 0.648 nan 8.210 nan 0.000 0.458 391 A N 4.163 126.978 122.820 -0.009 0.000 2.337 391 A HA 0.753 5.078 4.320 0.009 0.000 0.329 391 A C 0.751 178.329 177.584 -0.011 0.000 1.146 391 A CA -0.040 51.993 52.037 -0.007 0.000 0.800 391 A CB 1.187 20.185 19.000 -0.004 0.000 1.220 391 A HN 1.083 nan 8.150 nan 0.000 0.472 392 G N 0.690 109.485 108.800 -0.009 0.000 2.225 392 G HA2 -0.204 3.762 3.960 0.009 0.000 0.264 392 G HA3 -0.204 3.762 3.960 0.009 0.000 0.264 392 G C 0.136 175.027 174.900 -0.015 0.000 1.060 392 G CA 0.655 45.749 45.100 -0.011 0.000 0.833 392 G HN 1.067 nan 8.290 nan 0.000 0.498 393 R N -0.332 120.160 120.500 -0.015 0.000 2.338 393 R HA 0.654 4.999 4.340 0.009 0.000 0.317 393 R C -0.526 175.766 176.300 -0.014 0.000 0.968 393 R CA -0.161 55.927 56.100 -0.021 0.000 0.849 393 R CB 1.299 31.583 30.300 -0.027 0.000 1.128 393 R HN 0.173 nan 8.270 nan 0.000 0.448 394 S N 6.003 121.693 115.700 -0.017 0.000 2.389 394 S HA 0.338 4.813 4.470 0.009 0.000 0.201 394 S C -0.583 174.008 174.600 -0.016 0.000 1.422 394 S CA -0.707 57.486 58.200 -0.011 0.000 1.216 394 S CB 0.199 63.394 63.200 -0.009 0.000 1.130 394 S HN 0.540 nan 8.310 nan 0.000 0.465 395 L N 2.954 124.168 121.223 -0.015 0.000 2.436 395 L HA 0.398 4.743 4.340 0.009 0.000 0.265 395 L C 0.945 177.807 176.870 -0.014 0.000 1.168 395 L CA -0.823 54.004 54.840 -0.021 0.000 0.815 395 L CB 0.270 42.313 42.059 -0.027 0.000 1.109 395 L HN 0.549 nan 8.230 nan 0.000 0.462 396 N N 3.110 121.799 118.700 -0.018 0.000 2.356 396 N HA -0.024 4.722 4.740 0.009 0.000 0.252 396 N C -1.702 173.805 175.510 -0.006 0.000 1.241 396 N CA -0.873 52.169 53.050 -0.012 0.000 0.861 396 N CB 0.661 39.139 38.487 -0.015 0.000 1.075 396 N HN 0.283 nan 8.380 nan 0.000 0.461 397 P HA -0.036 nan 4.420 nan 0.000 0.230 397 P C -0.412 176.890 177.300 0.003 0.000 1.158 397 P CA 1.108 64.210 63.100 0.004 0.000 0.769 397 P CB 0.187 31.889 31.700 0.004 0.000 0.807 398 N N -0.560 118.140 118.700 -0.001 0.000 2.273 398 N HA 0.055 4.801 4.740 0.009 0.000 0.231 398 N C 0.280 175.785 175.510 -0.008 0.000 1.134 398 N CA -0.379 52.670 53.050 -0.002 0.000 0.856 398 N CB -0.086 38.400 38.487 -0.001 0.000 1.068 398 N HN 0.207 nan 8.380 nan 0.000 0.510 399 R N -0.492 120.001 120.500 -0.013 0.000 2.734 399 R HA 0.197 4.542 4.340 0.009 0.000 0.266 399 R C -0.164 176.112 176.300 -0.040 0.000 1.044 399 R CA -0.323 55.758 56.100 -0.031 0.000 1.128 399 R CB 0.323 30.601 30.300 -0.036 0.000 1.010 399 R HN -0.235 nan 8.270 nan 0.000 0.461 400 V N 1.916 121.780 119.914 -0.084 0.000 3.051 400 V HA 0.097 4.222 4.120 0.009 0.000 0.306 400 V C 0.404 176.439 176.094 -0.098 0.000 1.083 400 V CA 0.153 62.386 62.300 -0.112 0.000 1.104 400 V CB 1.491 33.168 31.823 -0.244 0.000 1.027 400 V HN 0.889 nan 8.190 nan 0.000 0.483 401 T N 3.862 118.386 114.554 -0.050 0.000 2.824 401 T HA 0.467 4.822 4.350 0.009 0.000 0.282 401 T C -0.905 173.823 174.700 0.048 0.000 0.993 401 T CA -0.121 61.992 62.100 0.022 0.000 0.967 401 T CB 1.006 69.894 68.868 0.034 0.000 0.960 401 T HN 0.429 nan 8.240 nan 0.000 0.441 402 F N 3.663 123.580 119.950 -0.054 0.000 2.332 402 F HA 0.540 5.070 4.527 0.005 0.000 0.368 402 F C 0.060 175.867 175.800 0.011 0.000 1.110 402 F CA -0.889 57.089 58.000 -0.036 0.000 1.087 402 F CB 0.656 39.619 39.000 -0.062 0.000 1.235 402 F HN 0.312 nan 8.300 nan 0.000 0.470 403 K N 5.386 125.654 120.400 -0.220 0.000 2.389 403 K HA 0.668 4.993 4.320 0.009 0.000 0.261 403 K C -0.868 175.565 176.600 -0.278 0.000 1.014 403 K CA -0.627 55.542 56.287 -0.197 0.000 0.920 403 K CB 1.127 33.404 32.500 -0.372 0.000 1.149 403 K HN 0.675 nan 8.250 nan 0.000 0.444 404 A N 4.771 127.524 122.820 -0.112 0.000 3.015 404 A HA 0.121 4.446 4.320 0.009 0.000 0.293 404 A C -0.048 177.609 177.584 0.121 0.000 1.572 404 A CA -0.576 51.377 52.037 -0.139 0.000 1.274 404 A CB -0.499 18.349 19.000 -0.253 0.000 1.156 404 A HN 0.846 nan 8.150 nan 0.000 0.562 405 N N 1.391 120.065 118.700 -0.043 0.000 2.351 405 N HA 0.123 4.868 4.740 0.009 0.000 0.254 405 N C -0.264 174.842 175.510 -0.673 0.000 1.241 405 N CA -0.390 52.563 53.050 -0.161 0.000 0.883 405 N CB 0.073 38.567 38.487 0.011 0.000 1.202 405 N HN 0.722 nan 8.380 nan 0.000 0.512 406 R N -1.966 118.132 120.500 -0.671 0.000 2.634 406 R HA 0.497 4.843 4.340 0.009 0.000 0.263 406 R C -3.299 172.952 176.300 -0.083 0.000 1.060 406 R CA -1.260 54.483 56.100 -0.595 0.000 0.898 406 R CB 0.239 30.388 30.300 -0.253 0.000 1.253 406 R HN -0.236 nan 8.270 nan 0.000 0.461 407 P HA -0.105 nan 4.420 nan 0.000 0.266 407 P C -1.117 176.346 177.300 0.272 0.000 1.162 407 P CA 0.591 63.830 63.100 0.231 0.000 0.758 407 P CB 0.049 31.830 31.700 0.136 0.000 0.774 408 F N -0.097 119.936 119.950 0.138 0.000 2.662 408 F HA 0.612 5.140 4.527 0.002 0.000 0.312 408 F C -1.525 174.348 175.800 0.122 0.000 1.113 408 F CA -1.564 56.513 58.000 0.128 0.000 0.951 408 F CB 0.791 39.885 39.000 0.157 0.000 1.344 408 F HN -0.036 nan 8.300 nan 0.000 0.462 409 L N 2.552 123.971 121.223 0.327 0.000 2.334 409 L HA 0.743 5.089 4.340 0.009 0.000 0.277 409 L C -0.747 176.308 176.870 0.308 0.000 1.075 409 L CA -1.284 53.677 54.840 0.202 0.000 0.804 409 L CB 1.692 43.910 42.059 0.265 0.000 1.174 409 L HN 0.562 nan 8.230 nan 0.000 0.438 410 V N 2.765 122.733 119.914 0.090 0.000 2.483 410 V HA 0.431 4.556 4.120 0.009 0.000 0.297 410 V C -0.755 175.333 176.094 -0.009 0.000 1.027 410 V CA -0.468 61.972 62.300 0.234 0.000 0.855 410 V CB 1.598 33.611 31.823 0.316 0.000 0.995 410 V HN 0.375 nan 8.190 nan 0.000 0.424 411 F N 4.575 124.687 119.950 0.270 0.000 2.482 411 F HA 0.651 5.183 4.527 0.009 0.000 0.331 411 F C 0.042 176.007 175.800 0.274 0.000 1.115 411 F CA -0.626 57.508 58.000 0.224 0.000 0.955 411 F CB 1.857 40.953 39.000 0.161 0.000 1.136 411 F HN 0.264 nan 8.300 nan 0.000 0.452 412 I N 5.154 125.972 120.570 0.414 0.000 2.359 412 I HA 0.424 4.599 4.170 0.009 0.000 0.284 412 I C -0.380 175.879 176.117 0.237 0.000 1.018 412 I CA -0.557 60.947 61.300 0.340 0.000 1.173 412 I CB 0.812 38.989 38.000 0.294 0.000 1.326 412 I HN 0.599 nan 8.210 nan 0.000 0.462 413 R N 4.241 124.868 120.500 0.213 0.000 2.873 413 R HA 0.611 4.957 4.340 0.009 0.000 0.264 413 R C -0.739 175.618 176.300 0.094 0.000 1.026 413 R CA -0.901 55.284 56.100 0.141 0.000 1.002 413 R CB 1.941 32.331 30.300 0.150 0.000 1.174 413 R HN 0.259 nan 8.270 nan 0.000 0.488 414 E N 1.912 122.145 120.200 0.055 0.000 2.109 414 E HA 0.126 4.481 4.350 0.009 0.000 0.278 414 E C 0.573 177.204 176.600 0.053 0.000 0.954 414 E CA -0.457 55.966 56.400 0.038 0.000 0.779 414 E CB 1.967 31.661 29.700 -0.009 0.000 1.093 414 E HN 0.556 nan 8.360 nan 0.000 0.401 415 V N 6.906 126.861 119.914 0.067 0.000 2.237 415 V HA -0.155 3.970 4.120 0.009 0.000 0.245 415 V C -0.989 175.132 176.094 0.046 0.000 1.046 415 V CA 1.702 64.040 62.300 0.064 0.000 1.007 415 V CB -1.238 30.627 31.823 0.071 0.000 0.638 415 V HN 0.566 nan 8.190 nan 0.000 0.445 416 P HA -0.153 nan 4.420 nan 0.000 0.216 416 P C 1.723 179.035 177.300 0.020 0.000 1.153 416 P CA 1.652 64.763 63.100 0.019 0.000 0.858 416 P CB -0.123 31.585 31.700 0.012 0.000 0.789 417 L N -2.389 118.844 121.223 0.016 0.000 2.492 417 L HA 0.108 4.453 4.340 0.009 0.000 0.223 417 L C 0.561 177.462 176.870 0.053 0.000 1.132 417 L CA 0.182 55.031 54.840 0.015 0.000 0.850 417 L CB -1.265 40.778 42.059 -0.026 0.000 0.966 417 L HN 0.048 nan 8.230 nan 0.000 0.454 418 N N 0.577 119.320 118.700 0.071 0.000 2.671 418 N HA -0.153 4.592 4.740 0.009 0.000 0.261 418 N C -0.770 174.778 175.510 0.064 0.000 1.053 418 N CA 0.248 53.361 53.050 0.105 0.000 0.732 418 N CB -0.308 38.313 38.487 0.225 0.000 0.887 418 N HN 0.191 nan 8.380 nan 0.000 0.546 419 T N 1.854 116.432 114.554 0.040 0.000 2.881 419 T HA 0.371 4.727 4.350 0.009 0.000 0.291 419 T C 0.199 174.925 174.700 0.044 0.000 0.990 419 T CA -0.474 61.637 62.100 0.018 0.000 0.976 419 T CB 1.105 69.965 68.868 -0.013 0.000 0.970 419 T HN 0.163 nan 8.240 nan 0.000 0.438 420 I N 4.948 125.556 120.570 0.063 0.000 2.347 420 I HA 0.178 4.353 4.170 0.009 0.000 0.294 420 I C 1.289 177.429 176.117 0.038 0.000 1.090 420 I CA -0.077 61.293 61.300 0.117 0.000 1.314 420 I CB 0.424 38.535 38.000 0.185 0.000 1.423 420 I HN 0.695 nan 8.210 nan 0.000 0.503 421 I N 5.379 125.951 120.570 0.002 0.000 2.206 421 I HA -0.038 4.137 4.170 0.009 0.000 0.239 421 I C 0.211 176.118 176.117 -0.351 0.000 1.078 421 I CA 1.237 62.428 61.300 -0.182 0.000 1.367 421 I CB -0.006 37.872 38.000 -0.204 0.000 1.078 421 I HN 0.282 nan 8.210 nan 0.000 0.413 422 F N 1.265 121.208 119.950 -0.011 0.000 2.551 422 F HA 0.557 5.093 4.527 0.016 0.000 0.316 422 F C -0.023 175.696 175.800 -0.134 0.000 1.089 422 F CA -0.881 57.046 58.000 -0.122 0.000 0.915 422 F CB 1.779 40.746 39.000 -0.054 0.000 1.186 422 F HN -0.135 nan 8.300 nan 0.000 0.456 423 M N 1.788 121.325 119.600 -0.105 0.000 2.550 423 M HA 1.000 5.485 4.480 0.009 0.000 0.292 423 M C -0.856 175.330 176.300 -0.189 0.000 1.221 423 M CA -0.339 54.766 55.300 -0.325 0.000 0.873 423 M CB 2.618 34.868 32.600 -0.583 0.000 1.727 423 M HN 0.696 nan 8.290 nan 0.000 0.459 424 G N 1.282 109.972 108.800 -0.183 0.000 2.494 424 G HA2 0.616 4.581 3.960 0.009 0.000 0.308 424 G HA3 0.616 4.581 3.960 0.009 0.000 0.308 424 G C -2.228 172.700 174.900 0.046 0.000 1.263 424 G CA -0.924 44.259 45.100 0.138 0.000 0.840 424 G HN 0.884 nan 8.290 nan 0.000 0.479 425 R N -0.531 120.015 120.500 0.077 0.000 2.535 425 R HA 0.521 4.866 4.340 0.009 0.000 0.274 425 R C -1.944 174.188 176.300 -0.281 0.000 1.090 425 R CA -0.467 55.596 56.100 -0.061 0.000 0.930 425 R CB 2.241 32.608 30.300 0.111 0.000 1.223 425 R HN 0.417 nan 8.270 nan 0.000 0.441 426 V N 4.357 123.888 119.914 -0.639 0.000 2.311 426 V HA 0.367 4.492 4.120 0.009 0.000 0.275 426 V C 0.686 176.500 176.094 -0.467 0.000 1.022 426 V CA 0.168 61.973 62.300 -0.824 0.000 0.830 426 V CB 0.984 31.854 31.823 -1.589 0.000 1.012 426 V HN 0.951 nan 8.190 nan 0.000 0.452 427 A N 4.456 127.133 122.820 -0.239 0.000 2.167 427 A HA 0.321 4.647 4.320 0.009 0.000 0.208 427 A C 0.847 178.421 177.584 -0.016 0.000 1.198 427 A CA 0.281 52.304 52.037 -0.023 0.000 0.863 427 A CB 0.176 19.171 19.000 -0.007 0.000 0.904 427 A HN 0.616 nan 8.150 nan 0.000 0.484 428 N N -0.418 118.138 118.700 -0.239 0.000 2.664 428 N HA 0.255 5.000 4.740 0.009 0.000 0.268 428 N C -2.789 172.486 175.510 -0.393 0.000 1.222 428 N CA -1.200 51.659 53.050 -0.320 0.000 0.805 428 N CB 1.988 40.397 38.487 -0.131 0.000 1.399 428 N HN -0.043 nan 8.380 nan 0.000 0.547 429 P HA 0.197 nan 4.420 nan 0.000 0.252 429 P C 0.047 177.223 177.300 -0.208 0.000 1.218 429 P CA 0.032 62.923 63.100 -0.348 0.000 0.807 429 P CB 0.142 31.605 31.700 -0.395 0.000 1.072 430 c N 0.970 119.430 118.600 -0.233 0.000 2.665 430 c HA 0.127 4.702 4.570 0.009 0.000 0.416 430 c C 1.650 175.698 174.090 -0.069 0.000 1.305 430 c CA -0.463 55.796 56.329 -0.117 0.000 1.903 430 c CB -0.191 42.266 42.510 -0.089 0.000 2.704 430 c HN 0.057 nan 8.230 nan 0.000 0.629 431 V N 0.000 119.890 119.914 -0.041 0.000 2.409 431 V HA 0.000 4.125 4.120 0.009 0.000 0.244 431 V CA 0.000 62.285 62.300 -0.025 0.000 1.235 431 V CB 0.000 31.814 31.823 -0.014 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556