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 2beh_1_I DATA FIRST_RESID 4 DATA SEQUENCE PVDIcTAKPR DIPMNPMcIY RSPEKKXXXX XXXXXXXPEA TNRRVWELSK DATA SEQUENCE ANSRFATTFY QHLADSKNDN DNIFLSPLSI STAFAMTKLG AcNDTLQQLM DATA SEQUENCE EVFKFDTISE KTSDQIHFFF AKLNcRLYRK ANKASKLVSA NRLFGDKSLT DATA SEQUENCE FNETYQDISE LVYGAKLQPL DFKENAEQSR AAINKWVSNK TEGRITDVIP DATA SEQUENCE SEAINELTVL VLVNTIYFKG LWKSKFSPEN TRKELFYKAD GEScSASMMY DATA SEQUENCE QEGKFRYRRV AEGTQVLELP FKGDDITMVL ILPKPEKSLA KVEKELTPEV DATA SEQUENCE LQEWLDELEE MMLcVHMPRF RIEDGFSLKE QLQDMGLVDL FSPEKSKLPG DATA SEQUENCE IVAXXXXDLY VSDAFHKAFL EVNEEGSEAA ASTAVVIAGR SLNPNRVcFK DATA SEQUENCE ANRPFLVFIR EVPLNTIIFM GRVANPcV 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.304 177.300 0.006 0.000 1.155 4 P CA 0.000 63.104 63.100 0.006 0.000 0.800 4 P CB 0.000 31.705 31.700 0.009 0.000 0.726 5 V N 1.835 121.756 119.914 0.010 0.000 3.364 5 V HA -0.003 4.116 4.120 -0.001 0.000 0.428 5 V C -1.032 175.070 176.094 0.013 0.000 0.674 5 V CA 0.392 62.700 62.300 0.013 0.000 1.911 5 V CB -1.854 29.975 31.823 0.009 0.000 2.379 5 V HN 0.857 nan 8.190 nan 0.000 0.487 6 D N 2.908 123.319 120.400 0.019 0.000 2.494 6 D HA 0.637 5.276 4.640 -0.001 0.000 0.259 6 D C 1.334 177.649 176.300 0.025 0.000 1.109 6 D CA -0.364 53.647 54.000 0.018 0.000 1.040 6 D CB 1.143 41.955 40.800 0.020 0.000 1.175 6 D HN 0.288 nan 8.370 nan 0.000 0.584 7 I N -0.582 119.999 120.570 0.019 0.000 2.315 7 I HA -0.268 3.901 4.170 -0.001 0.000 0.251 7 I C 0.811 176.948 176.117 0.033 0.000 1.125 7 I CA 1.084 62.395 61.300 0.019 0.000 1.392 7 I CB 0.082 38.090 38.000 0.014 0.000 1.065 7 I HN 0.442 nan 8.210 nan 0.000 0.424 8 c N 0.569 119.190 118.600 0.036 0.000 2.578 8 c HA 0.137 4.706 4.570 -0.001 0.000 0.285 8 c C 1.932 176.052 174.090 0.050 0.000 1.297 8 c CA 0.811 57.163 56.329 0.038 0.000 1.690 8 c CB -1.759 40.771 42.510 0.033 0.000 1.773 8 c HN 0.701 nan 8.230 nan 0.000 0.594 9 T N -3.674 110.917 114.554 0.061 0.000 3.080 9 T HA 0.367 4.716 4.350 -0.001 0.000 0.280 9 T C 0.615 175.372 174.700 0.094 0.000 0.926 9 T CA 0.415 62.556 62.100 0.068 0.000 0.883 9 T CB -0.097 68.798 68.868 0.045 0.000 1.194 9 T HN 0.295 nan 8.240 nan 0.000 0.541 10 A N 1.780 124.667 122.820 0.112 0.000 2.540 10 A HA 0.511 4.830 4.320 -0.001 0.000 0.239 10 A C 0.071 177.811 177.584 0.260 0.000 1.061 10 A CA 0.223 52.348 52.037 0.147 0.000 0.758 10 A CB -0.010 19.082 19.000 0.154 0.000 0.991 10 A HN 0.553 nan 8.150 nan 0.000 0.502 11 K N 3.138 123.599 120.400 0.101 0.000 2.328 11 K HA 0.461 4.780 4.320 -0.001 0.000 0.246 11 K C -1.847 174.530 176.600 -0.373 0.000 0.955 11 K CA -1.966 54.268 56.287 -0.088 0.000 0.817 11 K CB 1.983 34.442 32.500 -0.068 0.000 1.208 11 K HN 0.365 nan 8.250 nan 0.000 0.432 12 P HA -0.303 nan 4.420 nan 0.000 0.218 12 P C 0.795 177.922 177.300 -0.287 0.000 1.147 12 P CA 1.493 64.178 63.100 -0.691 0.000 0.827 12 P CB 0.286 31.549 31.700 -0.729 0.000 0.778 13 R N 0.355 120.724 120.500 -0.218 0.000 2.148 13 R HA -0.084 4.255 4.340 -0.001 0.000 0.227 13 R C 0.619 176.871 176.300 -0.080 0.000 1.103 13 R CA 1.199 57.227 56.100 -0.119 0.000 0.983 13 R CB -0.317 29.928 30.300 -0.092 0.000 0.874 13 R HN 0.078 nan 8.270 nan 0.000 0.451 14 D N 0.352 120.708 120.400 -0.073 0.000 2.538 14 D HA 0.138 4.777 4.640 -0.001 0.000 0.234 14 D C -0.329 175.958 176.300 -0.021 0.000 1.191 14 D CA 0.446 54.427 54.000 -0.032 0.000 0.828 14 D CB 0.215 41.012 40.800 -0.006 0.000 0.981 14 D HN 0.269 nan 8.370 nan 0.000 0.490 15 I N 2.252 122.801 120.570 -0.036 0.000 2.588 15 I HA 0.103 4.272 4.170 -0.001 0.000 0.278 15 I C -2.367 173.733 176.117 -0.027 0.000 1.144 15 I CA -1.681 59.606 61.300 -0.020 0.000 1.074 15 I CB 2.525 40.535 38.000 0.017 0.000 1.235 15 I HN -0.284 nan 8.210 nan 0.000 0.472 16 P HA 0.025 nan 4.420 nan 0.000 0.261 16 P C 0.851 178.145 177.300 -0.009 0.000 1.183 16 P CA 0.085 63.174 63.100 -0.019 0.000 0.761 16 P CB 0.949 32.641 31.700 -0.014 0.000 0.785 17 M N 2.497 122.094 119.600 -0.005 0.000 2.064 17 M HA -0.008 4.471 4.480 -0.001 0.000 0.260 17 M C 1.417 177.729 176.300 0.020 0.000 1.073 17 M CA 2.721 58.027 55.300 0.010 0.000 1.124 17 M CB -2.206 30.396 32.600 0.003 0.000 1.326 17 M HN 0.793 nan 8.290 nan 0.000 0.410 18 N N 0.740 119.448 118.700 0.013 0.000 2.744 18 N HA 0.099 4.839 4.740 -0.001 0.000 0.263 18 N C -1.603 173.921 175.510 0.023 0.000 1.150 18 N CA 0.209 53.270 53.050 0.018 0.000 0.668 18 N CB -2.947 35.553 38.487 0.022 0.000 0.908 18 N HN 0.745 nan 8.380 nan 0.000 0.562 19 P HA 0.389 nan 4.420 nan 0.000 0.272 19 P C 1.767 179.082 177.300 0.024 0.000 1.239 19 P CA 2.275 65.387 63.100 0.019 0.000 0.807 19 P CB 0.270 31.977 31.700 0.012 0.000 0.951 20 M N -2.900 116.715 119.600 0.025 0.000 2.884 20 M HA -0.252 4.228 4.480 -0.001 0.000 0.174 20 M C 0.699 177.023 176.300 0.039 0.000 0.656 20 M CA 2.236 57.552 55.300 0.028 0.000 0.665 20 M CB -2.885 29.727 32.600 0.020 0.000 2.408 20 M HN 0.396 nan 8.290 nan 0.000 0.274 21 c N 1.718 120.345 118.600 0.045 0.000 3.273 21 c HA 0.789 5.358 4.570 -0.001 0.000 0.227 21 c C 0.115 174.255 174.090 0.083 0.000 1.409 21 c CA -0.632 55.734 56.329 0.061 0.000 1.516 21 c CB -0.820 41.720 42.510 0.049 0.000 1.853 21 c HN 0.704 nan 8.230 nan 0.000 0.472 22 I N 1.332 121.959 120.570 0.096 0.000 2.610 22 I HA 0.282 4.451 4.170 -0.001 0.000 0.289 22 I C -1.070 175.138 176.117 0.152 0.000 1.163 22 I CA -0.518 60.850 61.300 0.114 0.000 1.044 22 I CB 2.087 40.127 38.000 0.068 0.000 1.251 22 I HN 0.335 nan 8.210 nan 0.000 0.424 23 Y N 6.599 126.931 120.300 0.054 0.000 2.453 23 Y HA 0.620 5.169 4.550 -0.001 0.000 0.326 23 Y C -0.540 175.391 175.900 0.051 0.000 1.186 23 Y CA -0.737 57.395 58.100 0.054 0.000 1.200 23 Y CB 1.304 39.805 38.460 0.069 0.000 1.247 23 Y HN 0.397 nan 8.280 nan 0.000 0.482 24 R N 3.260 123.266 120.500 -0.825 0.000 2.545 24 R HA 0.298 4.637 4.340 -0.001 0.000 0.289 24 R C -0.998 174.844 176.300 -0.763 0.000 1.327 24 R CA -0.609 55.179 56.100 -0.519 0.000 1.040 24 R CB 1.110 31.243 30.300 -0.279 0.000 1.176 24 R HN 0.804 nan 8.270 nan 0.000 0.518 25 S N 2.730 118.196 115.700 -0.390 0.000 2.560 25 S HA 0.205 4.674 4.470 -0.001 0.000 0.284 25 S C -1.378 173.197 174.600 -0.043 0.000 1.327 25 S CA -1.038 57.132 58.200 -0.049 0.000 1.055 25 S CB 0.298 63.655 63.200 0.261 0.000 0.868 25 S HN 0.351 nan 8.310 nan 0.000 0.506 26 P HA 0.026 nan 4.420 nan 0.000 0.276 26 P C -0.007 177.310 177.300 0.028 0.000 1.264 26 P CA -0.161 62.947 63.100 0.013 0.000 0.815 26 P CB 0.328 32.053 31.700 0.042 0.000 1.121 27 E N -0.207 120.008 120.200 0.025 0.000 2.284 27 E HA 0.505 4.854 4.350 -0.001 0.000 0.255 27 E C -0.761 175.859 176.600 0.033 0.000 1.052 27 E CA -1.079 55.339 56.400 0.030 0.000 0.904 27 E CB 1.075 30.788 29.700 0.022 0.000 1.217 27 E HN 0.238 nan 8.360 nan 0.000 0.438 28 K N -0.021 120.399 120.400 0.033 0.000 2.790 28 K HA 0.415 4.735 4.320 -0.001 0.000 0.253 28 K C -0.921 175.695 176.600 0.027 0.000 1.082 28 K CA -0.318 55.987 56.287 0.030 0.000 1.067 28 K CB 1.490 34.010 32.500 0.033 0.000 1.284 28 K HN 0.597 nan 8.250 nan 0.000 0.529 42 E N -0.003 120.012 120.200 -0.308 0.000 1.933 42 E HA 0.880 5.229 4.350 -0.001 0.000 0.195 42 E C -0.624 175.894 176.600 -0.136 0.000 1.449 42 E CA 0.106 56.372 56.400 -0.223 0.000 0.963 42 E CB 0.450 30.001 29.700 -0.248 0.000 1.872 42 E HN 0.875 nan 8.360 nan 0.000 0.557 43 A N -0.634 122.121 122.820 -0.109 0.000 2.367 43 A HA 0.429 4.748 4.320 -0.001 0.000 0.205 43 A C 0.379 177.926 177.584 -0.062 0.000 2.285 43 A CA 0.910 52.905 52.037 -0.070 0.000 1.302 43 A CB -0.340 18.626 19.000 -0.056 0.000 0.846 43 A HN 0.750 nan 8.150 nan 0.000 0.470 44 T N 1.618 116.121 114.554 -0.084 0.000 2.875 44 T HA 0.301 4.650 4.350 -0.001 0.000 0.284 44 T C 0.099 174.767 174.700 -0.053 0.000 0.995 44 T CA -0.522 61.542 62.100 -0.060 0.000 1.060 44 T CB 1.106 69.938 68.868 -0.060 0.000 0.967 44 T HN 0.399 nan 8.240 nan 0.000 0.476 45 N N 2.097 120.782 118.700 -0.026 0.000 2.411 45 N HA -0.041 4.698 4.740 -0.001 0.000 0.265 45 N C 1.342 176.853 175.510 0.000 0.000 1.266 45 N CA 0.022 53.057 53.050 -0.025 0.000 0.889 45 N CB 0.557 39.020 38.487 -0.039 0.000 1.069 45 N HN 0.635 nan 8.380 nan 0.000 0.476 46 R N 3.084 123.579 120.500 -0.008 0.000 2.081 46 R HA -0.144 4.195 4.340 -0.001 0.000 0.235 46 R C 1.998 178.275 176.300 -0.038 0.000 1.131 46 R CA 1.406 57.531 56.100 0.041 0.000 0.960 46 R CB 0.106 30.412 30.300 0.010 0.000 0.856 46 R HN 0.444 nan 8.270 nan 0.000 0.436 47 R N -0.450 119.925 120.500 -0.208 0.000 2.091 47 R HA -0.060 4.279 4.340 -0.001 0.000 0.238 47 R C 2.389 178.363 176.300 -0.543 0.000 1.136 47 R CA 1.439 57.176 56.100 -0.605 0.000 0.959 47 R CB -1.272 28.689 30.300 -0.566 0.000 0.856 47 R HN 0.246 nan 8.270 nan 0.000 0.437 48 V N -0.123 119.628 119.914 -0.273 0.000 2.407 48 V HA -0.217 3.902 4.120 -0.001 0.000 0.248 48 V C 2.133 178.148 176.094 -0.131 0.000 1.055 48 V CA 1.790 63.971 62.300 -0.199 0.000 1.049 48 V CB -0.775 30.987 31.823 -0.102 0.000 0.662 48 V HN 0.654 nan 8.190 nan 0.000 0.455 49 W N 1.439 122.607 121.300 -0.219 0.000 2.355 49 W HA -0.177 4.482 4.660 -0.001 0.000 0.309 49 W C 2.212 178.628 176.519 -0.172 0.000 1.206 49 W CA 2.002 59.249 57.345 -0.163 0.000 1.284 49 W CB -0.056 29.324 29.460 -0.133 0.000 1.145 49 W HN 0.345 nan 8.180 nan 0.000 0.502 50 E N 0.489 120.485 120.200 -0.340 0.000 2.051 50 E HA -0.269 4.080 4.350 -0.001 0.000 0.192 50 E C 2.102 178.479 176.600 -0.372 0.000 0.991 50 E CA 1.566 57.719 56.400 -0.412 0.000 0.799 50 E CB -0.592 28.917 29.700 -0.318 0.000 0.748 50 E HN 0.156 nan 8.360 nan 0.000 0.449 51 L N 1.307 122.305 121.223 -0.375 0.000 2.017 51 L HA -0.188 4.151 4.340 -0.001 0.000 0.208 51 L C 2.399 179.133 176.870 -0.225 0.000 1.073 51 L CA 2.251 56.933 54.840 -0.263 0.000 0.745 51 L CB -0.720 41.119 42.059 -0.368 0.000 0.894 51 L HN 0.092 nan 8.230 nan 0.000 0.432 52 S N -1.236 114.297 115.700 -0.279 0.000 2.400 52 S HA -0.250 4.219 4.470 -0.001 0.000 0.232 52 S C 2.011 176.453 174.600 -0.262 0.000 1.025 52 S CA 1.374 59.435 58.200 -0.232 0.000 0.993 52 S CB -0.624 62.443 63.200 -0.222 0.000 0.808 52 S HN 0.546 nan 8.310 nan 0.000 0.478 53 K N 1.370 121.522 120.400 -0.413 0.000 2.062 53 K HA 0.166 4.486 4.320 -0.001 0.000 0.205 53 K C 2.621 179.117 176.600 -0.173 0.000 1.051 53 K CA 1.019 57.078 56.287 -0.380 0.000 0.941 53 K CB -0.498 31.671 32.500 -0.551 0.000 0.719 53 K HN 0.479 nan 8.250 nan 0.000 0.440 54 A N 1.973 124.729 122.820 -0.106 0.000 1.902 54 A HA -0.172 4.147 4.320 -0.001 0.000 0.217 54 A C 1.798 179.429 177.584 0.078 0.000 1.181 54 A CA 1.528 53.581 52.037 0.026 0.000 0.623 54 A CB -0.416 18.672 19.000 0.148 0.000 0.818 54 A HN 0.220 nan 8.150 nan 0.000 0.443 55 N N 0.165 118.917 118.700 0.087 0.000 2.188 55 N HA -0.064 4.675 4.740 -0.001 0.000 0.184 55 N C 1.836 177.429 175.510 0.137 0.000 1.018 55 N CA 1.491 54.641 53.050 0.166 0.000 0.858 55 N CB -0.317 38.261 38.487 0.151 0.000 0.989 55 N HN 0.417 nan 8.380 nan 0.000 0.426 56 S N 0.418 116.136 115.700 0.030 0.000 2.428 56 S HA 0.033 4.503 4.470 -0.001 0.000 0.230 56 S C 1.876 176.484 174.600 0.013 0.000 1.014 56 S CA 0.356 58.565 58.200 0.015 0.000 0.957 56 S CB 0.217 63.383 63.200 -0.056 0.000 0.784 56 S HN 0.283 nan 8.310 nan 0.000 0.499 57 R N 0.130 120.635 120.500 0.008 0.000 2.081 57 R HA -0.066 4.274 4.340 -0.001 0.000 0.235 57 R C 2.007 178.320 176.300 0.023 0.000 1.131 57 R CA 1.455 57.555 56.100 0.000 0.000 0.960 57 R CB -0.302 29.997 30.300 -0.002 0.000 0.856 57 R HN 0.465 nan 8.270 nan 0.000 0.436 58 F N 0.629 120.552 119.950 -0.045 0.000 2.206 58 F HA 0.002 4.528 4.527 -0.001 0.000 0.298 58 F C 1.972 177.787 175.800 0.025 0.000 1.090 58 F CA 1.047 59.013 58.000 -0.057 0.000 1.323 58 F CB -0.439 38.506 39.000 -0.092 0.000 1.028 58 F HN 0.010 nan 8.300 nan 0.000 0.492 59 A N 0.243 122.988 122.820 -0.125 0.000 1.865 59 A HA -0.254 4.065 4.320 -0.001 0.000 0.217 59 A C 2.328 179.874 177.584 -0.063 0.000 1.191 59 A CA 2.952 54.917 52.037 -0.119 0.000 0.623 59 A CB -1.723 17.313 19.000 0.061 0.000 0.826 59 A HN 0.544 nan 8.150 nan 0.000 0.444 60 T N -3.275 111.271 114.554 -0.013 0.000 2.821 60 T HA -0.124 4.225 4.350 -0.001 0.000 0.267 60 T C 1.828 176.528 174.700 0.000 0.000 1.046 60 T CA 2.164 64.290 62.100 0.043 0.000 1.139 60 T CB -1.053 67.825 68.868 0.016 0.000 0.871 60 T HN 0.346 nan 8.240 nan 0.000 0.454 61 T N 1.382 115.873 114.554 -0.105 0.000 2.595 61 T HA -0.015 4.334 4.350 -0.001 0.000 0.264 61 T C 1.348 175.932 174.700 -0.193 0.000 1.058 61 T CA 1.562 63.582 62.100 -0.134 0.000 1.166 61 T CB -0.818 67.956 68.868 -0.157 0.000 0.863 61 T HN 0.412 nan 8.240 nan 0.000 0.415 62 F N 0.633 120.245 119.950 -0.563 0.000 2.120 62 F HA -0.189 4.337 4.527 -0.001 0.000 0.300 62 F C 2.217 177.837 175.800 -0.301 0.000 1.095 62 F CA 1.275 58.927 58.000 -0.581 0.000 1.249 62 F CB -0.438 37.901 39.000 -1.103 0.000 0.995 62 F HN 0.204 nan 8.300 nan 0.000 0.480 63 Y N 1.025 121.260 120.300 -0.108 0.000 2.181 63 Y HA -0.261 4.288 4.550 -0.001 0.000 0.288 63 Y C 2.460 178.293 175.900 -0.113 0.000 1.146 63 Y CA 2.158 60.223 58.100 -0.059 0.000 1.164 63 Y CB -0.634 37.811 38.460 -0.025 0.000 0.982 63 Y HN 0.195 nan 8.280 nan 0.000 0.515 64 Q N -1.255 118.506 119.800 -0.064 0.000 2.079 64 Q HA -0.247 4.092 4.340 -0.001 0.000 0.200 64 Q C 2.219 178.080 176.000 -0.232 0.000 0.974 64 Q CA 1.482 57.218 55.803 -0.111 0.000 0.840 64 Q CB -0.410 28.310 28.738 -0.030 0.000 0.898 64 Q HN 0.553 nan 8.270 nan 0.000 0.430 65 H N 0.565 119.430 119.070 -0.341 0.000 2.321 65 H HA -0.130 4.426 4.556 -0.001 0.000 0.300 65 H C 2.105 177.189 175.328 -0.407 0.000 1.087 65 H CA 1.456 57.289 56.048 -0.359 0.000 1.319 65 H CB -0.012 29.494 29.762 -0.427 0.000 1.379 65 H HN 0.189 nan 8.280 nan 0.000 0.501 66 L N 0.895 121.877 121.223 -0.401 0.000 2.046 66 L HA -0.072 4.268 4.340 -0.001 0.000 0.208 66 L C 2.630 179.327 176.870 -0.288 0.000 1.077 66 L CA 2.073 56.700 54.840 -0.355 0.000 0.747 66 L CB -1.072 40.737 42.059 -0.417 0.000 0.896 66 L HN 0.239 nan 8.230 nan 0.000 0.432 67 A N -0.922 121.625 122.820 -0.455 0.000 1.902 67 A HA -0.232 4.088 4.320 -0.001 0.000 0.217 67 A C 2.087 179.554 177.584 -0.195 0.000 1.181 67 A CA 1.872 53.691 52.037 -0.365 0.000 0.623 67 A CB -0.916 17.816 19.000 -0.446 0.000 0.818 67 A HN 0.544 nan 8.150 nan 0.000 0.443 68 D N -0.083 120.196 120.400 -0.201 0.000 2.221 68 D HA -0.118 4.521 4.640 -0.001 0.000 0.204 68 D C 2.276 178.500 176.300 -0.127 0.000 0.982 68 D CA 1.669 55.571 54.000 -0.163 0.000 0.857 68 D CB -0.119 40.545 40.800 -0.227 0.000 0.934 68 D HN 0.589 nan 8.370 nan 0.000 0.475 69 S N -0.850 114.782 115.700 -0.113 0.000 2.562 69 S HA 0.027 4.497 4.470 -0.001 0.000 0.221 69 S C 0.897 175.473 174.600 -0.040 0.000 0.975 69 S CA 0.103 58.267 58.200 -0.059 0.000 0.918 69 S CB 0.446 63.633 63.200 -0.020 0.000 0.772 69 S HN 0.009 nan 8.310 nan 0.000 0.531 70 K N 1.703 122.072 120.400 -0.052 0.000 2.211 70 K HA 0.306 4.625 4.320 -0.001 0.000 0.237 70 K C -0.560 176.025 176.600 -0.025 0.000 1.002 70 K CA -0.817 55.452 56.287 -0.029 0.000 0.885 70 K CB 0.731 33.217 32.500 -0.023 0.000 1.136 70 K HN 0.215 nan 8.250 nan 0.000 0.448 71 N N 1.450 120.144 118.700 -0.011 0.000 2.499 71 N HA -0.025 4.714 4.740 -0.001 0.000 0.281 71 N C -0.149 175.363 175.510 0.004 0.000 1.098 71 N CA -0.066 52.981 53.050 -0.003 0.000 0.979 71 N CB 1.096 39.584 38.487 0.002 0.000 1.121 71 N HN 0.426 nan 8.380 nan 0.000 0.466 72 D N 2.071 122.477 120.400 0.010 0.000 2.172 72 D HA -0.181 4.458 4.640 -0.001 0.000 0.196 72 D C 0.663 176.984 176.300 0.034 0.000 0.999 72 D CA 1.352 55.366 54.000 0.023 0.000 0.856 72 D CB -0.019 40.797 40.800 0.027 0.000 0.934 72 D HN 0.613 nan 8.370 nan 0.000 0.453 73 N N 1.245 119.965 118.700 0.033 0.000 2.515 73 N HA -0.041 4.698 4.740 -0.001 0.000 0.191 73 N C -0.465 175.058 175.510 0.022 0.000 1.182 73 N CA 0.486 53.560 53.050 0.041 0.000 0.879 73 N CB 0.343 38.855 38.487 0.041 0.000 0.984 73 N HN 0.241 nan 8.380 nan 0.000 0.453 74 D N 0.833 121.242 120.400 0.015 0.000 2.217 74 D HA 0.219 4.858 4.640 -0.001 0.000 0.243 74 D C 0.245 176.549 176.300 0.007 0.000 1.054 74 D CA -0.397 53.607 54.000 0.007 0.000 0.838 74 D CB 1.085 41.890 40.800 0.009 0.000 1.162 74 D HN -0.078 nan 8.370 nan 0.000 0.472 75 N N 1.081 119.776 118.700 -0.008 0.000 2.288 75 N HA 0.377 5.117 4.740 -0.001 0.000 0.237 75 N C 0.026 175.576 175.510 0.067 0.000 1.311 75 N CA 0.155 53.198 53.050 -0.011 0.000 0.909 75 N CB 1.055 39.517 38.487 -0.041 0.000 1.167 75 N HN 0.406 nan 8.380 nan 0.000 0.476 76 I N -0.376 120.277 120.570 0.139 0.000 2.841 76 I HA 0.421 4.591 4.170 -0.001 0.000 0.298 76 I C -1.518 174.863 176.117 0.440 0.000 1.304 76 I CA -0.673 60.790 61.300 0.271 0.000 1.019 76 I CB 2.255 40.424 38.000 0.281 0.000 1.282 76 I HN 0.276 nan 8.210 nan 0.000 0.432 77 F N 6.410 126.562 119.950 0.336 0.000 2.652 77 F HA 0.719 5.246 4.527 -0.001 0.000 0.320 77 F C -1.890 174.260 175.800 0.583 0.000 1.115 77 F CA -0.595 57.620 58.000 0.358 0.000 1.053 77 F CB 1.451 40.592 39.000 0.235 0.000 1.297 77 F HN 0.338 nan 8.300 nan 0.000 0.471 78 L N 1.822 123.027 121.223 -0.030 0.000 2.720 78 L HA 0.798 5.137 4.340 -0.001 0.000 0.261 78 L C -1.398 175.513 176.870 0.068 0.000 1.046 78 L CA -0.993 54.011 54.840 0.273 0.000 0.886 78 L CB 1.852 43.996 42.059 0.142 0.000 1.493 78 L HN 0.490 nan 8.230 nan 0.000 0.407 79 S N 1.008 116.880 115.700 0.286 0.000 2.516 79 S HA 0.505 4.975 4.470 -0.001 0.000 0.268 79 S C -1.704 172.812 174.600 -0.140 0.000 1.251 79 S CA -1.326 56.875 58.200 0.002 0.000 1.153 79 S CB 0.701 63.944 63.200 0.073 0.000 1.009 79 S HN 0.647 nan 8.310 nan 0.000 0.479 80 P HA -0.128 nan 4.420 nan 0.000 0.219 80 P C 1.548 178.888 177.300 0.067 0.000 1.146 80 P CA 0.513 63.591 63.100 -0.037 0.000 0.808 80 P CB 0.118 31.837 31.700 0.032 0.000 0.779 81 L N -0.120 121.114 121.223 0.018 0.000 2.131 81 L HA -0.075 4.264 4.340 -0.001 0.000 0.210 81 L C 2.599 179.536 176.870 0.111 0.000 1.092 81 L CA 1.803 56.696 54.840 0.088 0.000 0.759 81 L CB -1.531 40.536 42.059 0.014 0.000 0.903 81 L HN -0.082 nan 8.230 nan 0.000 0.435 82 S N -0.243 115.484 115.700 0.045 0.000 2.380 82 S HA -0.189 4.280 4.470 -0.001 0.000 0.213 82 S C 2.009 176.637 174.600 0.046 0.000 1.037 82 S CA 1.770 60.025 58.200 0.091 0.000 1.034 82 S CB -0.505 62.806 63.200 0.185 0.000 1.022 82 S HN 0.474 nan 8.310 nan 0.000 0.418 83 I N 1.132 121.673 120.570 -0.048 0.000 2.121 83 I HA -0.274 3.896 4.170 -0.001 0.000 0.243 83 I C 2.742 178.896 176.117 0.062 0.000 1.047 83 I CA 1.726 63.048 61.300 0.038 0.000 1.308 83 I CB -0.804 37.133 38.000 -0.106 0.000 1.015 83 I HN 0.325 nan 8.210 nan 0.000 0.410 84 S N -0.152 115.555 115.700 0.011 0.000 2.370 84 S HA -0.190 4.279 4.470 -0.001 0.000 0.226 84 S C 2.006 176.567 174.600 -0.065 0.000 1.033 84 S CA 2.213 60.364 58.200 -0.082 0.000 1.011 84 S CB -0.289 63.040 63.200 0.214 0.000 0.852 84 S HN 0.513 nan 8.310 nan 0.000 0.457 85 T N 1.598 116.148 114.554 -0.007 0.000 2.942 85 T HA 0.141 4.490 4.350 -0.001 0.000 0.265 85 T C 2.039 176.512 174.700 -0.379 0.000 1.062 85 T CA 0.969 62.929 62.100 -0.233 0.000 1.139 85 T CB -0.449 68.436 68.868 0.028 0.000 0.883 85 T HN 0.442 nan 8.240 nan 0.000 0.468 86 A N 1.260 123.937 122.820 -0.238 0.000 1.877 86 A HA 0.012 4.331 4.320 -0.001 0.000 0.216 86 A C 1.808 179.077 177.584 -0.526 0.000 1.186 86 A CA 1.270 53.108 52.037 -0.332 0.000 0.620 86 A CB -1.016 17.854 19.000 -0.217 0.000 0.822 86 A HN 0.499 nan 8.150 nan 0.000 0.443 87 F N -0.264 119.368 119.950 -0.530 0.000 2.748 87 F HA 0.156 4.682 4.527 -0.001 0.000 0.299 87 F C 2.404 177.856 175.800 -0.581 0.000 1.154 87 F CA 0.495 58.124 58.000 -0.619 0.000 1.446 87 F CB 0.028 38.402 39.000 -1.043 0.000 1.112 87 F HN 0.276 nan 8.300 nan 0.000 0.584 88 A N 0.520 123.052 122.820 -0.480 0.000 1.935 88 A HA -0.077 4.242 4.320 -0.001 0.000 0.214 88 A C 2.218 179.440 177.584 -0.604 0.000 1.178 88 A CA 1.122 52.892 52.037 -0.446 0.000 0.640 88 A CB -0.564 17.981 19.000 -0.759 0.000 0.825 88 A HN 0.431 nan 8.150 nan 0.000 0.447 89 M N -1.325 117.600 119.600 -1.125 0.000 2.349 89 M HA -0.024 4.455 4.480 -0.001 0.000 0.266 89 M C 1.628 177.707 176.300 -0.369 0.000 1.076 89 M CA 2.110 56.722 55.300 -1.146 0.000 1.126 89 M CB -1.012 30.844 32.600 -1.240 0.000 1.392 89 M HN 0.125 nan 8.290 nan 0.000 0.440 90 T N 1.475 115.830 114.554 -0.332 0.000 2.737 90 T HA -0.118 4.231 4.350 -0.001 0.000 0.265 90 T C 1.803 176.453 174.700 -0.084 0.000 1.038 90 T CA 1.833 63.818 62.100 -0.192 0.000 1.144 90 T CB -0.283 68.407 68.868 -0.296 0.000 0.866 90 T HN 0.490 nan 8.240 nan 0.000 0.434 91 K N 1.069 121.432 120.400 -0.061 0.000 2.211 91 K HA -0.042 4.277 4.320 -0.001 0.000 0.204 91 K C 2.261 178.928 176.600 0.113 0.000 1.047 91 K CA 0.795 57.117 56.287 0.058 0.000 0.935 91 K CB -0.427 32.148 32.500 0.125 0.000 0.728 91 K HN 0.293 nan 8.250 nan 0.000 0.452 92 L N 0.020 121.279 121.223 0.060 0.000 2.103 92 L HA -0.193 4.147 4.340 -0.001 0.000 0.215 92 L C 1.594 178.494 176.870 0.049 0.000 1.080 92 L CA 1.814 56.580 54.840 -0.123 0.000 0.764 92 L CB -0.306 41.684 42.059 -0.114 0.000 0.890 92 L HN 0.457 nan 8.230 nan 0.000 0.435 93 G N -1.846 107.003 108.800 0.081 0.000 3.993 93 G HA2 0.494 4.454 3.960 -0.001 0.000 0.294 93 G HA3 0.494 4.454 3.960 -0.001 0.000 0.294 93 G C 0.082 174.955 174.900 -0.046 0.000 1.043 93 G CA 0.345 45.436 45.100 -0.015 0.000 0.839 93 G HN 0.381 nan 8.290 nan 0.000 0.516 94 A N -0.745 122.075 122.820 -0.001 0.000 2.242 94 A HA 0.808 5.127 4.320 -0.001 0.000 0.304 94 A C -0.401 177.198 177.584 0.025 0.000 1.100 94 A CA -0.535 51.502 52.037 -0.000 0.000 0.860 94 A CB 1.263 20.270 19.000 0.012 0.000 1.168 94 A HN 0.629 nan 8.150 nan 0.000 0.503 95 c N -0.391 118.222 118.600 0.022 0.000 3.288 95 c HA 0.580 5.149 4.570 -0.001 0.000 0.318 95 c C 0.374 174.485 174.090 0.035 0.000 1.356 95 c CA -0.139 56.212 56.329 0.037 0.000 1.359 95 c CB 0.315 42.841 42.510 0.026 0.000 1.688 95 c HN 1.232 nan 8.230 nan 0.000 0.467 96 N N 1.793 120.526 118.700 0.054 0.000 1.133 96 N HA -0.253 4.487 4.740 -0.001 0.000 0.111 96 N C 0.528 176.058 175.510 0.034 0.000 0.713 96 N CA 1.763 54.846 53.050 0.055 0.000 0.831 96 N CB -0.729 37.782 38.487 0.039 0.000 1.095 96 N HN 0.884 nan 8.380 nan 0.000 0.648 97 D N -0.959 119.455 120.400 0.022 0.000 2.191 97 D HA -0.168 4.471 4.640 -0.001 0.000 0.190 97 D C 1.730 178.019 176.300 -0.019 0.000 1.007 97 D CA 2.386 56.388 54.000 0.003 0.000 0.865 97 D CB -0.578 40.224 40.800 0.005 0.000 0.929 97 D HN 0.535 nan 8.370 nan 0.000 0.447 98 T N -0.144 114.403 114.554 -0.013 0.000 2.708 98 T HA -0.151 4.198 4.350 -0.001 0.000 0.266 98 T C 1.790 176.474 174.700 -0.026 0.000 1.037 98 T CA 0.919 63.004 62.100 -0.024 0.000 1.146 98 T CB -0.385 68.472 68.868 -0.018 0.000 0.865 98 T HN 0.066 nan 8.240 nan 0.000 0.435 99 L N 1.247 122.464 121.223 -0.010 0.000 2.046 99 L HA -0.076 4.263 4.340 -0.001 0.000 0.208 99 L C 2.531 179.340 176.870 -0.102 0.000 1.077 99 L CA 1.891 56.730 54.840 -0.002 0.000 0.747 99 L CB -0.873 41.216 42.059 0.050 0.000 0.896 99 L HN 0.287 nan 8.230 nan 0.000 0.432 100 Q N -0.957 118.732 119.800 -0.185 0.000 2.020 100 Q HA -0.280 4.060 4.340 -0.001 0.000 0.202 100 Q C 2.239 178.046 176.000 -0.322 0.000 0.982 100 Q CA 2.191 57.710 55.803 -0.474 0.000 0.838 100 Q CB -0.238 28.312 28.738 -0.313 0.000 0.899 100 Q HN 0.664 nan 8.270 nan 0.000 0.423 101 Q N 0.120 119.825 119.800 -0.158 0.000 2.152 101 Q HA -0.188 4.151 4.340 -0.001 0.000 0.206 101 Q C 2.262 178.222 176.000 -0.067 0.000 0.985 101 Q CA 1.520 57.261 55.803 -0.104 0.000 0.863 101 Q CB -0.140 28.556 28.738 -0.069 0.000 0.904 101 Q HN 0.452 nan 8.270 nan 0.000 0.422 102 L N -0.287 120.927 121.223 -0.015 0.000 2.046 102 L HA -0.209 4.130 4.340 -0.001 0.000 0.208 102 L C 2.418 179.386 176.870 0.162 0.000 1.077 102 L CA 0.742 55.658 54.840 0.127 0.000 0.747 102 L CB -0.250 41.880 42.059 0.118 0.000 0.896 102 L HN 0.382 nan 8.230 nan 0.000 0.432 103 M N -0.775 118.845 119.600 0.035 0.000 2.156 103 M HA -0.158 4.321 4.480 -0.001 0.000 0.264 103 M C 2.104 178.407 176.300 0.004 0.000 1.067 103 M CA 1.675 57.024 55.300 0.082 0.000 1.131 103 M CB -0.886 31.658 32.600 -0.093 0.000 1.368 103 M HN 0.269 nan 8.290 nan 0.000 0.416 104 E N -0.281 119.862 120.200 -0.094 0.000 2.072 104 E HA -0.090 4.260 4.350 -0.001 0.000 0.190 104 E C 2.161 178.704 176.600 -0.097 0.000 0.982 104 E CA 0.925 57.283 56.400 -0.069 0.000 0.803 104 E CB -0.067 29.585 29.700 -0.081 0.000 0.755 104 E HN 0.223 nan 8.360 nan 0.000 0.453 105 V N 0.684 120.507 119.914 -0.151 0.000 2.358 105 V HA -0.202 3.917 4.120 -0.001 0.000 0.246 105 V C 1.533 177.363 176.094 -0.440 0.000 1.047 105 V CA 1.540 63.669 62.300 -0.285 0.000 1.035 105 V CB -0.378 31.201 31.823 -0.406 0.000 0.658 105 V HN 0.190 nan 8.190 nan 0.000 0.452 106 F N 0.237 119.944 119.950 -0.405 0.000 2.731 106 F HA 0.236 4.763 4.527 -0.001 0.000 0.304 106 F C 1.327 176.710 175.800 -0.695 0.000 1.133 106 F CA -0.202 57.324 58.000 -0.791 0.000 1.380 106 F CB -0.149 38.054 39.000 -1.328 0.000 1.079 106 F HN 0.018 nan 8.300 nan 0.000 0.550 107 K N -1.894 118.380 120.400 -0.209 0.000 3.363 107 K HA -0.268 4.051 4.320 -0.001 0.000 0.313 107 K C 0.868 177.490 176.600 0.036 0.000 1.259 107 K CA 0.851 57.101 56.287 -0.062 0.000 0.942 107 K CB -2.671 29.827 32.500 -0.002 0.000 1.229 107 K HN 0.303 nan 8.250 nan 0.000 0.440 108 F N 2.007 122.043 119.950 0.143 0.000 2.333 108 F HA -0.121 4.405 4.527 -0.001 0.000 0.300 108 F C 2.188 178.073 175.800 0.142 0.000 1.083 108 F CA 1.565 59.645 58.000 0.134 0.000 1.395 108 F CB -0.508 38.573 39.000 0.136 0.000 1.056 108 F HN 0.228 nan 8.300 nan 0.000 0.529 109 D N -0.373 120.204 120.400 0.296 0.000 2.363 109 D HA -0.099 4.540 4.640 -0.001 0.000 0.226 109 D C 1.424 177.846 176.300 0.202 0.000 1.020 109 D CA 1.241 55.415 54.000 0.290 0.000 0.892 109 D CB -0.987 39.986 40.800 0.289 0.000 0.900 109 D HN 0.374 nan 8.370 nan 0.000 0.531 110 T N -1.773 112.876 114.554 0.158 0.000 3.144 110 T HA 0.236 4.585 4.350 -0.001 0.000 0.249 110 T C 1.010 175.767 174.700 0.094 0.000 1.089 110 T CA -0.490 61.672 62.100 0.103 0.000 0.989 110 T CB -0.427 68.478 68.868 0.061 0.000 0.992 110 T HN 0.101 nan 8.240 nan 0.000 0.540 111 I N 2.416 123.068 120.570 0.136 0.000 2.291 111 I HA 0.240 4.410 4.170 -0.001 0.000 0.290 111 I C 0.256 176.447 176.117 0.124 0.000 1.050 111 I CA -0.763 60.608 61.300 0.117 0.000 1.245 111 I CB 0.982 39.085 38.000 0.172 0.000 1.405 111 I HN 0.055 nan 8.210 nan 0.000 0.478 112 S N 5.054 120.807 115.700 0.088 0.000 3.116 112 S HA -0.125 4.344 4.470 -0.001 0.000 0.367 112 S C 0.969 175.619 174.600 0.084 0.000 1.202 112 S CA 0.521 58.768 58.200 0.077 0.000 1.018 112 S CB -0.256 62.980 63.200 0.061 0.000 0.726 112 S HN 0.764 nan 8.310 nan 0.000 0.506 113 E N -0.067 120.170 120.200 0.062 0.000 3.049 113 E HA -0.258 4.091 4.350 -0.001 0.000 0.272 113 E C -0.097 176.540 176.600 0.061 0.000 1.051 113 E CA 1.164 57.590 56.400 0.043 0.000 0.813 113 E CB -0.459 29.263 29.700 0.036 0.000 1.409 113 E HN 0.384 nan 8.360 nan 0.000 0.454 114 K N 0.509 120.974 120.400 0.108 0.000 2.219 114 K HA 0.219 4.538 4.320 -0.001 0.000 0.258 114 K C 0.326 176.973 176.600 0.078 0.000 1.008 114 K CA 0.134 56.501 56.287 0.134 0.000 0.928 114 K CB 0.811 33.455 32.500 0.240 0.000 0.983 114 K HN -0.086 nan 8.250 nan 0.000 0.484 115 T N 0.723 115.301 114.554 0.040 0.000 2.829 115 T HA 0.057 4.407 4.350 -0.001 0.000 0.282 115 T C 1.460 176.175 174.700 0.026 0.000 0.990 115 T CA -0.295 61.819 62.100 0.024 0.000 1.028 115 T CB 0.972 69.841 68.868 0.001 0.000 0.951 115 T HN 0.595 nan 8.240 nan 0.000 0.460 116 S N 2.008 117.771 115.700 0.104 0.000 2.423 116 S HA -0.204 4.266 4.470 -0.001 0.000 0.238 116 S C 1.763 176.398 174.600 0.058 0.000 1.028 116 S CA 1.997 60.263 58.200 0.109 0.000 1.000 116 S CB -0.965 62.361 63.200 0.209 0.000 0.797 116 S HN 0.869 nan 8.310 nan 0.000 0.487 117 D N 1.111 121.553 120.400 0.071 0.000 2.123 117 D HA -0.044 4.595 4.640 -0.001 0.000 0.200 117 D C 2.118 178.407 176.300 -0.018 0.000 0.976 117 D CA 1.196 55.261 54.000 0.108 0.000 0.831 117 D CB -0.955 39.873 40.800 0.048 0.000 0.974 117 D HN 0.733 nan 8.370 nan 0.000 0.469 118 Q N -0.455 119.237 119.800 -0.181 0.000 2.170 118 Q HA -0.070 4.270 4.340 -0.001 0.000 0.203 118 Q C 2.427 177.851 176.000 -0.959 0.000 0.976 118 Q CA 0.823 56.338 55.803 -0.481 0.000 0.858 118 Q CB -0.101 28.336 28.738 -0.501 0.000 0.907 118 Q HN 0.487 nan 8.270 nan 0.000 0.433 119 I N 0.934 121.101 120.570 -0.671 0.000 2.118 119 I HA -0.308 3.861 4.170 -0.001 0.000 0.241 119 I C 2.222 178.105 176.117 -0.390 0.000 1.070 119 I CA 1.779 62.720 61.300 -0.598 0.000 1.327 119 I CB -1.471 36.176 38.000 -0.588 0.000 1.034 119 I HN 0.354 nan 8.210 nan 0.000 0.405 120 H N -0.764 118.271 119.070 -0.057 0.000 2.422 120 H HA -0.201 4.354 4.556 -0.001 0.000 0.298 120 H C 2.088 177.427 175.328 0.019 0.000 1.098 120 H CA 1.438 57.522 56.048 0.061 0.000 1.315 120 H CB -0.582 29.219 29.762 0.064 0.000 1.382 120 H HN 0.310 nan 8.280 nan 0.000 0.523 121 F N 1.164 121.043 119.950 -0.120 0.000 2.259 121 F HA -0.108 4.418 4.527 -0.001 0.000 0.298 121 F C 1.764 177.592 175.800 0.046 0.000 1.088 121 F CA 0.434 58.383 58.000 -0.085 0.000 1.358 121 F CB -0.413 38.496 39.000 -0.151 0.000 1.040 121 F HN -0.129 nan 8.300 nan 0.000 0.505 122 F N -0.356 119.441 119.950 -0.256 0.000 2.113 122 F HA -0.090 4.436 4.527 -0.001 0.000 0.297 122 F C 2.270 177.844 175.800 -0.376 0.000 1.103 122 F CA 0.855 58.603 58.000 -0.421 0.000 1.248 122 F CB -1.861 36.928 39.000 -0.351 0.000 0.999 122 F HN -0.072 nan 8.300 nan 0.000 0.475 123 F N 0.429 120.331 119.950 -0.079 0.000 2.269 123 F HA -0.142 4.384 4.527 -0.001 0.000 0.301 123 F C 2.426 178.107 175.800 -0.198 0.000 1.082 123 F CA 0.940 58.858 58.000 -0.136 0.000 1.360 123 F CB -1.041 37.845 39.000 -0.190 0.000 1.041 123 F HN -0.042 nan 8.300 nan 0.000 0.512 124 A N 0.090 122.877 122.820 -0.054 0.000 1.865 124 A HA -0.212 4.107 4.320 -0.001 0.000 0.217 124 A C 2.368 179.889 177.584 -0.106 0.000 1.191 124 A CA 2.204 54.185 52.037 -0.092 0.000 0.623 124 A CB -0.895 18.078 19.000 -0.044 0.000 0.826 124 A HN 0.227 nan 8.150 nan 0.000 0.444 125 K N -0.913 119.350 120.400 -0.228 0.000 2.026 125 K HA -0.096 4.224 4.320 -0.001 0.000 0.208 125 K C 2.107 178.638 176.600 -0.115 0.000 1.048 125 K CA 1.318 57.485 56.287 -0.200 0.000 0.929 125 K CB -1.255 31.057 32.500 -0.313 0.000 0.713 125 K HN 0.518 nan 8.250 nan 0.000 0.439 126 L N 2.001 123.156 121.223 -0.115 0.000 1.994 126 L HA -0.101 4.239 4.340 -0.001 0.000 0.208 126 L C 1.754 178.609 176.870 -0.026 0.000 1.071 126 L CA 1.930 56.718 54.840 -0.087 0.000 0.745 126 L CB -0.913 41.070 42.059 -0.127 0.000 0.892 126 L HN 0.208 nan 8.230 nan 0.000 0.431 127 N N -0.602 118.143 118.700 0.075 0.000 2.149 127 N HA -0.237 4.502 4.740 -0.001 0.000 0.188 127 N C 2.131 177.733 175.510 0.154 0.000 1.019 127 N CA 1.563 54.732 53.050 0.199 0.000 0.857 127 N CB -1.150 37.478 38.487 0.234 0.000 0.997 127 N HN 0.665 nan 8.380 nan 0.000 0.426 128 c N 1.678 120.315 118.600 0.062 0.000 2.398 128 c HA -0.050 4.520 4.570 -0.001 0.000 0.276 128 c C 2.594 176.703 174.090 0.031 0.000 1.222 128 c CA 0.934 57.293 56.329 0.050 0.000 1.746 128 c CB -0.853 41.664 42.510 0.013 0.000 2.039 128 c HN 0.393 nan 8.230 nan 0.000 0.470 129 R N -0.063 120.427 120.500 -0.017 0.000 2.119 129 R HA 0.115 4.455 4.340 -0.001 0.000 0.222 129 R C 2.355 178.600 176.300 -0.093 0.000 1.088 129 R CA 1.048 57.124 56.100 -0.040 0.000 0.984 129 R CB -0.302 29.970 30.300 -0.047 0.000 0.884 129 R HN 0.555 nan 8.270 nan 0.000 0.447 130 L N -0.628 120.476 121.223 -0.198 0.000 2.056 130 L HA -0.170 4.170 4.340 -0.001 0.000 0.207 130 L C 1.394 177.977 176.870 -0.478 0.000 1.078 130 L CA 1.492 56.062 54.840 -0.450 0.000 0.749 130 L CB -0.042 41.523 42.059 -0.823 0.000 0.901 130 L HN 0.240 nan 8.230 nan 0.000 0.433 131 Y N -2.119 118.208 120.300 0.044 0.000 2.462 131 Y HA 0.143 4.692 4.550 -0.001 0.000 0.253 131 Y C 2.433 178.361 175.900 0.047 0.000 1.095 131 Y CA 0.547 58.680 58.100 0.054 0.000 1.283 131 Y CB -0.364 38.131 38.460 0.059 0.000 1.138 131 Y HN -0.036 nan 8.280 nan 0.000 0.522 132 R N 0.641 121.233 120.500 0.155 0.000 2.009 132 R HA 0.080 4.419 4.340 -0.001 0.000 0.206 132 R C 1.891 178.230 176.300 0.066 0.000 1.356 132 R CA 1.027 57.190 56.100 0.105 0.000 1.088 132 R CB -1.089 29.264 30.300 0.087 0.000 0.959 132 R HN 0.019 nan 8.270 nan 0.000 0.469 133 K N 1.061 121.487 120.400 0.043 0.000 2.589 133 K HA 0.273 4.592 4.320 -0.001 0.000 0.195 133 K C 1.119 177.735 176.600 0.027 0.000 1.040 133 K CA 0.365 56.670 56.287 0.030 0.000 0.950 133 K CB -1.416 31.094 32.500 0.017 0.000 0.781 133 K HN 0.827 nan 8.250 nan 0.000 0.486 134 A N 2.259 125.098 122.820 0.032 0.000 2.327 134 A HA 0.436 4.756 4.320 -0.001 0.000 0.255 134 A C 0.526 178.139 177.584 0.049 0.000 1.099 134 A CA -0.423 51.634 52.037 0.033 0.000 0.801 134 A CB 0.026 19.044 19.000 0.031 0.000 1.062 134 A HN 0.621 nan 8.150 nan 0.000 0.496 135 N N -0.401 118.332 118.700 0.055 0.000 2.405 135 N HA 0.513 5.252 4.740 -0.001 0.000 0.269 135 N C 0.893 176.446 175.510 0.071 0.000 1.249 135 N CA 0.071 53.157 53.050 0.060 0.000 0.974 135 N CB 0.196 38.720 38.487 0.061 0.000 1.204 135 N HN 0.635 nan 8.380 nan 0.000 0.565 136 K N -0.465 119.974 120.400 0.064 0.000 2.002 136 K HA 0.031 4.350 4.320 -0.001 0.000 0.209 136 K C 2.164 178.807 176.600 0.072 0.000 1.048 136 K CA 1.921 58.245 56.287 0.063 0.000 0.930 136 K CB -1.694 30.836 32.500 0.050 0.000 0.714 136 K HN 0.718 nan 8.250 nan 0.000 0.438 137 A N 1.021 123.890 122.820 0.081 0.000 1.978 137 A HA -0.038 4.281 4.320 -0.001 0.000 0.220 137 A C 2.052 179.723 177.584 0.145 0.000 1.170 137 A CA 1.645 53.740 52.037 0.097 0.000 0.636 137 A CB -0.578 18.496 19.000 0.123 0.000 0.810 137 A HN 0.422 nan 8.150 nan 0.000 0.448 138 S N 0.982 116.777 115.700 0.159 0.000 3.870 138 S HA 0.333 4.802 4.470 -0.001 0.000 0.198 138 S C 0.684 175.416 174.600 0.220 0.000 1.336 138 S CA 0.556 58.882 58.200 0.209 0.000 1.049 138 S CB -0.729 62.540 63.200 0.114 0.000 1.412 138 S HN 0.643 nan 8.310 nan 0.000 0.448 139 K N 1.729 122.253 120.400 0.207 0.000 2.021 139 K HA 0.175 4.494 4.320 -0.001 0.000 0.238 139 K C -0.349 176.414 176.600 0.272 0.000 1.149 139 K CA 0.079 56.454 56.287 0.146 0.000 1.105 139 K CB -0.650 31.838 32.500 -0.020 0.000 1.246 139 K HN 0.375 nan 8.250 nan 0.000 0.307 140 L N 2.524 123.926 121.223 0.298 0.000 2.295 140 L HA 0.411 4.751 4.340 -0.001 0.000 0.281 140 L C -0.727 176.407 176.870 0.441 0.000 1.018 140 L CA -0.977 54.085 54.840 0.371 0.000 0.841 140 L CB 1.894 44.100 42.059 0.245 0.000 1.218 140 L HN 0.304 nan 8.230 nan 0.000 0.424 141 V N 3.299 123.444 119.914 0.385 0.000 2.398 141 V HA 0.425 4.545 4.120 -0.001 0.000 0.286 141 V C 0.264 176.469 176.094 0.185 0.000 1.026 141 V CA -0.538 61.913 62.300 0.252 0.000 0.868 141 V CB 1.697 33.652 31.823 0.220 0.000 0.982 141 V HN 0.749 nan 8.190 nan 0.000 0.443 142 S N 4.173 119.824 115.700 -0.082 0.000 2.411 142 S HA 0.573 5.042 4.470 -0.001 0.000 0.294 142 S C 0.395 174.968 174.600 -0.045 0.000 1.115 142 S CA -0.195 57.929 58.200 -0.126 0.000 1.071 142 S CB 0.540 63.410 63.200 -0.550 0.000 0.967 142 S HN 0.993 nan 8.310 nan 0.000 0.488 143 A N 5.689 128.529 122.820 0.035 0.000 3.249 143 A HA 0.469 4.788 4.320 -0.001 0.000 0.297 143 A C -0.332 177.362 177.584 0.184 0.000 1.302 143 A CA -0.744 51.282 52.037 -0.018 0.000 1.074 143 A CB -0.241 18.694 19.000 -0.108 0.000 1.132 143 A HN 0.717 nan 8.150 nan 0.000 0.575 144 N N 1.189 120.028 118.700 0.230 0.000 2.354 144 N HA 0.547 5.286 4.740 -0.001 0.000 0.287 144 N C -0.585 175.018 175.510 0.155 0.000 1.016 144 N CA -0.272 52.895 53.050 0.195 0.000 0.871 144 N CB 1.901 40.430 38.487 0.070 0.000 1.299 144 N HN 0.657 nan 8.380 nan 0.000 0.482 145 R N 1.251 121.791 120.500 0.068 0.000 2.739 145 R HA 0.484 4.823 4.340 -0.001 0.000 0.271 145 R C -1.655 174.387 176.300 -0.429 0.000 1.010 145 R CA -0.738 55.179 56.100 -0.306 0.000 0.897 145 R CB 1.521 31.380 30.300 -0.735 0.000 1.236 145 R HN 0.283 nan 8.270 nan 0.000 0.466 146 L N 2.809 123.687 121.223 -0.574 0.000 2.295 146 L HA 0.554 4.893 4.340 -0.001 0.000 0.285 146 L C -1.489 174.987 176.870 -0.656 0.000 1.035 146 L CA -0.203 54.374 54.840 -0.440 0.000 0.806 146 L CB 1.203 43.079 42.059 -0.305 0.000 1.214 146 L HN 0.497 nan 8.230 nan 0.000 0.426 147 F N 2.714 122.620 119.950 -0.074 0.000 2.493 147 F HA 0.751 5.277 4.527 -0.001 0.000 0.329 147 F C 0.690 176.574 175.800 0.140 0.000 1.126 147 F CA -0.557 57.444 58.000 0.001 0.000 0.937 147 F CB 2.118 41.205 39.000 0.145 0.000 1.146 147 F HN 0.519 nan 8.300 nan 0.000 0.442 148 G N 1.660 110.602 108.800 0.237 0.000 2.619 148 G HA2 0.400 4.360 3.960 -0.001 0.000 0.296 148 G HA3 0.400 4.360 3.960 -0.001 0.000 0.296 148 G C -1.856 173.315 174.900 0.451 0.000 1.334 148 G CA -0.775 44.569 45.100 0.408 0.000 0.934 148 G HN 0.498 nan 8.290 nan 0.000 0.476 149 D N -0.181 120.579 120.400 0.599 0.000 2.443 149 D HA 0.133 4.773 4.640 -0.001 0.000 0.239 149 D C 1.591 178.044 176.300 0.255 0.000 1.136 149 D CA 0.034 54.232 54.000 0.331 0.000 0.879 149 D CB 0.960 42.002 40.800 0.403 0.000 1.195 149 D HN 0.317 nan 8.370 nan 0.000 0.443 150 K N 1.089 121.550 120.400 0.102 0.000 2.103 150 K HA -0.181 4.138 4.320 -0.001 0.000 0.207 150 K C 2.042 178.677 176.600 0.058 0.000 1.048 150 K CA 1.366 57.713 56.287 0.101 0.000 0.930 150 K CB -0.238 32.274 32.500 0.021 0.000 0.716 150 K HN 0.524 nan 8.250 nan 0.000 0.444 151 S N 0.946 116.667 115.700 0.036 0.000 2.440 151 S HA -0.120 4.350 4.470 -0.001 0.000 0.240 151 S C 1.126 175.674 174.600 -0.086 0.000 1.014 151 S CA 0.922 59.116 58.200 -0.009 0.000 0.980 151 S CB -1.178 62.030 63.200 0.014 0.000 0.775 151 S HN 0.243 nan 8.310 nan 0.000 0.499 152 L N 1.829 122.961 121.223 -0.152 0.000 2.350 152 L HA 0.728 5.068 4.340 -0.001 0.000 0.275 152 L C 0.528 176.917 176.870 -0.802 0.000 1.099 152 L CA -0.465 54.097 54.840 -0.462 0.000 0.808 152 L CB -0.070 41.662 42.059 -0.545 0.000 1.149 152 L HN 0.387 nan 8.230 nan 0.000 0.442 153 T N 3.290 117.445 114.554 -0.666 0.000 2.738 153 T HA 0.649 4.999 4.350 -0.001 0.000 0.298 153 T C -0.445 173.897 174.700 -0.597 0.000 0.962 153 T CA 0.037 61.842 62.100 -0.491 0.000 0.972 153 T CB -0.271 68.457 68.868 -0.233 0.000 0.928 153 T HN 0.411 nan 8.240 nan 0.000 0.474 154 F N 2.337 122.271 119.950 -0.027 0.000 2.385 154 F HA 0.344 4.871 4.527 -0.001 0.000 0.336 154 F C 1.102 176.896 175.800 -0.011 0.000 1.100 154 F CA -1.393 56.586 58.000 -0.034 0.000 1.116 154 F CB 0.631 39.615 39.000 -0.028 0.000 1.166 154 F HN 0.409 nan 8.300 nan 0.000 0.511 155 N N 2.266 121.059 118.700 0.155 0.000 2.492 155 N HA -0.037 4.702 4.740 -0.001 0.000 0.262 155 N C 0.571 176.176 175.510 0.158 0.000 1.202 155 N CA 0.302 53.421 53.050 0.116 0.000 0.926 155 N CB 0.734 39.276 38.487 0.091 0.000 1.078 155 N HN 0.722 nan 8.380 nan 0.000 0.454 156 E N 1.445 121.703 120.200 0.098 0.000 2.442 156 E HA -0.022 4.327 4.350 -0.001 0.000 0.195 156 E C 0.901 177.533 176.600 0.053 0.000 1.030 156 E CA 0.648 57.092 56.400 0.073 0.000 0.869 156 E CB 0.251 29.975 29.700 0.041 0.000 0.857 156 E HN 0.642 nan 8.360 nan 0.000 0.505 157 T N 0.635 115.227 114.554 0.064 0.000 2.851 157 T HA -0.140 4.210 4.350 -0.001 0.000 0.262 157 T C 1.610 176.332 174.700 0.037 0.000 1.043 157 T CA 0.738 62.859 62.100 0.036 0.000 1.140 157 T CB -0.365 68.524 68.868 0.036 0.000 0.872 157 T HN 0.272 nan 8.240 nan 0.000 0.446 158 Y N 2.459 122.742 120.300 -0.029 0.000 2.049 158 Y HA -0.265 4.284 4.550 -0.001 0.000 0.277 158 Y C 2.719 178.587 175.900 -0.053 0.000 1.143 158 Y CA 1.564 59.635 58.100 -0.048 0.000 1.115 158 Y CB -0.365 38.072 38.460 -0.039 0.000 0.975 158 Y HN -0.006 nan 8.280 nan 0.000 0.487 159 Q N 0.494 120.269 119.800 -0.041 0.000 2.096 159 Q HA -0.257 4.082 4.340 -0.001 0.000 0.208 159 Q C 1.870 177.759 176.000 -0.185 0.000 0.993 159 Q CA 2.088 57.803 55.803 -0.147 0.000 0.862 159 Q CB -0.815 27.922 28.738 -0.000 0.000 0.915 159 Q HN 0.620 nan 8.270 nan 0.000 0.416 160 D N 0.017 120.353 120.400 -0.107 0.000 2.182 160 D HA -0.089 4.550 4.640 -0.001 0.000 0.201 160 D C 2.024 178.254 176.300 -0.116 0.000 0.986 160 D CA 0.813 54.759 54.000 -0.090 0.000 0.847 160 D CB -0.129 40.642 40.800 -0.049 0.000 0.942 160 D HN 0.329 nan 8.370 nan 0.000 0.467 161 I N -0.172 120.301 120.570 -0.161 0.000 2.400 161 I HA -0.133 4.036 4.170 -0.001 0.000 0.248 161 I C 2.390 178.396 176.117 -0.185 0.000 1.109 161 I CA 0.433 61.639 61.300 -0.156 0.000 1.425 161 I CB -0.212 37.692 38.000 -0.160 0.000 1.094 161 I HN -0.125 nan 8.210 nan 0.000 0.425 162 S N 0.495 115.992 115.700 -0.339 0.000 2.419 162 S HA -0.251 4.218 4.470 -0.001 0.000 0.235 162 S C 1.946 176.460 174.600 -0.144 0.000 1.019 162 S CA 1.823 59.842 58.200 -0.301 0.000 0.982 162 S CB -0.227 62.521 63.200 -0.755 0.000 0.789 162 S HN 0.494 nan 8.310 nan 0.000 0.490 163 E N -0.066 120.037 120.200 -0.162 0.000 2.021 163 E HA -0.105 4.244 4.350 -0.001 0.000 0.189 163 E C 2.145 178.698 176.600 -0.079 0.000 0.980 163 E CA 1.119 57.455 56.400 -0.106 0.000 0.803 163 E CB -0.385 29.256 29.700 -0.098 0.000 0.766 163 E HN 0.460 nan 8.360 nan 0.000 0.449 164 L N 0.925 122.099 121.223 -0.082 0.000 1.971 164 L HA -0.190 4.150 4.340 -0.001 0.000 0.215 164 L C 2.285 179.100 176.870 -0.092 0.000 1.072 164 L CA 1.767 56.567 54.840 -0.067 0.000 0.758 164 L CB -0.654 41.371 42.059 -0.057 0.000 0.889 164 L HN 0.105 nan 8.230 nan 0.000 0.433 165 V N -1.337 118.484 119.914 -0.155 0.000 2.255 165 V HA -0.255 3.864 4.120 -0.001 0.000 0.243 165 V C 2.014 177.853 176.094 -0.426 0.000 1.038 165 V CA 1.884 63.990 62.300 -0.324 0.000 1.008 165 V CB -0.775 30.732 31.823 -0.527 0.000 0.645 165 V HN 0.471 nan 8.190 nan 0.000 0.449 166 Y N 0.646 120.886 120.300 -0.101 0.000 2.466 166 Y HA 0.443 4.993 4.550 -0.001 0.000 0.272 166 Y C 1.782 177.610 175.900 -0.119 0.000 1.169 166 Y CA 0.216 58.243 58.100 -0.121 0.000 1.285 166 Y CB -0.498 37.846 38.460 -0.193 0.000 1.078 166 Y HN 0.360 nan 8.280 nan 0.000 0.523 167 G N 1.051 109.840 108.800 -0.018 0.000 2.366 167 G HA2 -0.004 3.955 3.960 -0.001 0.000 0.299 167 G HA3 -0.004 3.955 3.960 -0.001 0.000 0.299 167 G C -0.096 174.790 174.900 -0.024 0.000 1.020 167 G CA 0.388 45.469 45.100 -0.031 0.000 1.026 167 G HN 0.832 nan 8.290 nan 0.000 0.512 168 A N -0.763 122.022 122.820 -0.057 0.000 2.572 168 A HA 0.661 4.981 4.320 -0.001 0.000 0.303 168 A C -0.347 177.123 177.584 -0.189 0.000 1.059 168 A CA -0.439 51.534 52.037 -0.107 0.000 0.788 168 A CB 0.904 19.859 19.000 -0.075 0.000 1.282 168 A HN 0.464 nan 8.150 nan 0.000 0.397 169 K N 0.921 121.184 120.400 -0.229 0.000 2.095 169 K HA 0.600 4.919 4.320 -0.001 0.000 0.252 169 K C -0.265 176.135 176.600 -0.333 0.000 0.977 169 K CA -0.946 55.196 56.287 -0.242 0.000 0.900 169 K CB 1.512 33.900 32.500 -0.187 0.000 1.060 169 K HN 0.596 nan 8.250 nan 0.000 0.449 170 L N 2.245 123.294 121.223 -0.290 0.000 2.462 170 L HA 0.050 4.389 4.340 -0.001 0.000 0.272 170 L C -0.494 176.074 176.870 -0.503 0.000 1.166 170 L CA 0.369 54.943 54.840 -0.442 0.000 0.880 170 L CB 0.377 42.157 42.059 -0.466 0.000 1.142 170 L HN 0.476 nan 8.230 nan 0.000 0.473 171 Q N 7.316 126.764 119.800 -0.587 0.000 2.303 171 Q HA 0.548 4.887 4.340 -0.001 0.000 0.257 171 Q C -2.575 173.303 176.000 -0.203 0.000 0.941 171 Q CA -2.117 53.459 55.803 -0.379 0.000 0.931 171 Q CB 1.512 30.024 28.738 -0.376 0.000 1.215 171 Q HN 0.462 nan 8.270 nan 0.000 0.437 172 P HA 0.267 nan 4.420 nan 0.000 0.281 172 P C -1.031 176.210 177.300 -0.098 0.000 1.252 172 P CA -0.085 62.980 63.100 -0.059 0.000 0.778 172 P CB 0.774 32.520 31.700 0.077 0.000 0.895 173 L N 2.097 123.166 121.223 -0.257 0.000 2.354 173 L HA 0.397 4.737 4.340 -0.001 0.000 0.264 173 L C 0.241 176.759 176.870 -0.586 0.000 1.008 173 L CA -0.841 53.714 54.840 -0.475 0.000 0.819 173 L CB 2.176 43.805 42.059 -0.717 0.000 1.339 173 L HN 0.191 nan 8.230 nan 0.000 0.420 174 D N 1.037 121.205 120.400 -0.386 0.000 2.608 174 D HA 0.109 4.748 4.640 -0.001 0.000 0.224 174 D C 0.770 176.955 176.300 -0.191 0.000 1.123 174 D CA 0.067 53.934 54.000 -0.223 0.000 1.030 174 D CB 0.130 40.861 40.800 -0.116 0.000 1.093 174 D HN 0.210 nan 8.370 nan 0.000 0.497 175 F N 1.399 121.361 119.950 0.019 0.000 2.084 175 F HA -0.082 4.444 4.527 -0.001 0.000 0.296 175 F C 2.284 178.093 175.800 0.015 0.000 1.111 175 F CA 0.912 58.920 58.000 0.014 0.000 1.224 175 F CB -0.410 38.605 39.000 0.025 0.000 0.991 175 F HN 0.182 nan 8.300 nan 0.000 0.471 176 K N -0.149 120.382 120.400 0.218 0.000 2.059 176 K HA -0.204 4.115 4.320 -0.001 0.000 0.212 176 K C 1.870 178.518 176.600 0.080 0.000 1.050 176 K CA 1.819 58.182 56.287 0.127 0.000 0.927 176 K CB -0.226 32.332 32.500 0.096 0.000 0.714 176 K HN 0.264 nan 8.250 nan 0.000 0.447 177 E N 0.622 120.853 120.200 0.052 0.000 2.066 177 E HA 0.020 4.370 4.350 -0.001 0.000 0.207 177 E C 0.843 177.456 176.600 0.022 0.000 0.937 177 E CA 0.343 56.759 56.400 0.027 0.000 0.906 177 E CB -0.497 29.208 29.700 0.008 0.000 0.986 177 E HN 0.199 nan 8.360 nan 0.000 0.490 178 N N 2.092 120.790 118.700 -0.003 0.000 3.115 178 N HA 0.101 4.840 4.740 -0.001 0.000 0.305 178 N C 0.846 176.356 175.510 -0.001 0.000 1.305 178 N CA 0.283 53.325 53.050 -0.013 0.000 1.154 178 N CB 0.327 38.789 38.487 -0.041 0.000 1.454 178 N HN 0.182 nan 8.380 nan 0.000 0.551 179 A N 0.888 123.739 122.820 0.052 0.000 1.884 179 A HA -0.246 4.073 4.320 -0.001 0.000 0.219 179 A C 2.181 179.812 177.584 0.079 0.000 1.197 179 A CA 1.570 53.680 52.037 0.121 0.000 0.637 179 A CB -0.288 18.785 19.000 0.122 0.000 0.827 179 A HN 0.326 nan 8.150 nan 0.000 0.450 180 E N -0.485 119.735 120.200 0.033 0.000 2.208 180 E HA -0.162 4.188 4.350 -0.001 0.000 0.193 180 E C 2.094 178.683 176.600 -0.019 0.000 0.988 180 E CA 1.377 57.780 56.400 0.006 0.000 0.828 180 E CB -0.332 29.367 29.700 -0.001 0.000 0.763 180 E HN 0.736 nan 8.360 nan 0.000 0.478 181 Q N -0.522 119.263 119.800 -0.025 0.000 2.167 181 Q HA -0.088 4.251 4.340 -0.001 0.000 0.202 181 Q C 1.821 177.777 176.000 -0.073 0.000 0.970 181 Q CA 1.457 57.233 55.803 -0.045 0.000 0.855 181 Q CB 0.039 28.750 28.738 -0.045 0.000 0.911 181 Q HN 0.203 nan 8.270 nan 0.000 0.438 182 S N 0.679 116.327 115.700 -0.086 0.000 2.345 182 S HA -0.165 4.304 4.470 -0.001 0.000 0.220 182 S C 1.764 176.280 174.600 -0.139 0.000 1.031 182 S CA 1.227 59.335 58.200 -0.154 0.000 0.996 182 S CB -0.382 62.690 63.200 -0.214 0.000 0.882 182 S HN 0.432 nan 8.310 nan 0.000 0.445 183 R N 1.549 122.011 120.500 -0.064 0.000 2.134 183 R HA -0.213 4.126 4.340 -0.001 0.000 0.248 183 R C 2.193 178.424 176.300 -0.115 0.000 1.143 183 R CA 1.779 57.826 56.100 -0.088 0.000 0.957 183 R CB -0.586 29.676 30.300 -0.064 0.000 0.867 183 R HN 0.389 nan 8.270 nan 0.000 0.441 184 A N 0.192 122.959 122.820 -0.088 0.000 2.015 184 A HA 0.016 4.335 4.320 -0.001 0.000 0.219 184 A C 2.299 179.839 177.584 -0.074 0.000 1.163 184 A CA 1.371 53.364 52.037 -0.073 0.000 0.646 184 A CB -0.528 18.439 19.000 -0.055 0.000 0.806 184 A HN 0.594 nan 8.150 nan 0.000 0.448 185 A N 0.196 122.954 122.820 -0.104 0.000 1.873 185 A HA -0.041 4.278 4.320 -0.001 0.000 0.215 185 A C 2.093 179.619 177.584 -0.097 0.000 1.186 185 A CA 1.398 53.379 52.037 -0.094 0.000 0.616 185 A CB -0.537 18.382 19.000 -0.136 0.000 0.823 185 A HN 0.475 nan 8.150 nan 0.000 0.442 186 I N 0.102 120.515 120.570 -0.263 0.000 2.076 186 I HA -0.300 3.869 4.170 -0.001 0.000 0.237 186 I C 2.174 178.291 176.117 -0.001 0.000 1.059 186 I CA 1.553 62.658 61.300 -0.325 0.000 1.317 186 I CB -0.590 37.085 38.000 -0.542 0.000 1.037 186 I HN 0.292 nan 8.210 nan 0.000 0.398 187 N N 1.302 119.974 118.700 -0.046 0.000 2.137 187 N HA -0.236 4.503 4.740 -0.001 0.000 0.190 187 N C 1.940 177.455 175.510 0.010 0.000 1.017 187 N CA 2.190 55.231 53.050 -0.015 0.000 0.859 187 N CB -0.717 37.737 38.487 -0.054 0.000 1.002 187 N HN 0.413 nan 8.380 nan 0.000 0.428 188 K N 0.018 120.430 120.400 0.021 0.000 2.147 188 K HA -0.117 4.202 4.320 -0.001 0.000 0.205 188 K C 1.904 178.560 176.600 0.093 0.000 1.049 188 K CA 1.333 57.640 56.287 0.033 0.000 0.936 188 K CB -1.371 31.149 32.500 0.033 0.000 0.722 188 K HN 0.452 nan 8.250 nan 0.000 0.446 189 W N 0.293 121.584 121.300 -0.015 0.000 2.443 189 W HA -0.015 4.644 4.660 -0.001 0.000 0.296 189 W C 1.777 178.317 176.519 0.035 0.000 1.202 189 W CA 1.003 58.367 57.345 0.032 0.000 1.312 189 W CB 0.105 29.633 29.460 0.114 0.000 1.120 189 W HN 0.015 nan 8.180 nan 0.000 0.536 190 V N -0.055 119.872 119.914 0.022 0.000 2.295 190 V HA -0.301 3.818 4.120 -0.001 0.000 0.246 190 V C 2.416 178.364 176.094 -0.244 0.000 1.049 190 V CA 2.219 64.419 62.300 -0.166 0.000 1.024 190 V CB -1.374 30.477 31.823 0.046 0.000 0.648 190 V HN 0.250 nan 8.190 nan 0.000 0.447 191 S N 0.041 115.648 115.700 -0.155 0.000 2.399 191 S HA -0.233 4.237 4.470 -0.001 0.000 0.231 191 S C 2.037 176.498 174.600 -0.232 0.000 1.022 191 S CA 1.776 59.869 58.200 -0.178 0.000 0.983 191 S CB -0.607 62.520 63.200 -0.122 0.000 0.803 191 S HN 0.740 nan 8.310 nan 0.000 0.480 192 N N 0.892 119.444 118.700 -0.246 0.000 2.062 192 N HA -0.121 4.618 4.740 -0.001 0.000 0.191 192 N C 1.725 177.045 175.510 -0.317 0.000 1.042 192 N CA 1.596 54.499 53.050 -0.245 0.000 0.845 192 N CB -0.327 38.039 38.487 -0.202 0.000 1.024 192 N HN 0.241 nan 8.380 nan 0.000 0.424 193 K N -0.223 119.902 120.400 -0.460 0.000 2.147 193 K HA -0.049 4.270 4.320 -0.001 0.000 0.205 193 K C 1.896 178.280 176.600 -0.360 0.000 1.049 193 K CA 1.498 57.542 56.287 -0.404 0.000 0.936 193 K CB -1.190 30.977 32.500 -0.556 0.000 0.722 193 K HN 0.773 nan 8.250 nan 0.000 0.446 194 T N -1.595 112.703 114.554 -0.428 0.000 3.324 194 T HA 0.143 4.493 4.350 -0.001 0.000 0.250 194 T C 0.472 174.568 174.700 -1.007 0.000 1.059 194 T CA 0.427 62.117 62.100 -0.684 0.000 0.951 194 T CB -0.680 67.964 68.868 -0.374 0.000 1.030 194 T HN 0.486 nan 8.240 nan 0.000 0.576 195 E N -0.257 119.551 120.200 -0.654 0.000 2.660 195 E HA -0.266 4.084 4.350 -0.001 0.000 0.260 195 E C 1.181 177.573 176.600 -0.346 0.000 1.122 195 E CA 0.778 56.909 56.400 -0.448 0.000 0.755 195 E CB -1.523 27.912 29.700 -0.441 0.000 1.345 195 E HN 0.995 nan 8.360 nan 0.000 0.421 196 G N -2.434 106.170 108.800 -0.327 0.000 2.225 196 G HA2 -0.445 3.515 3.960 -0.001 0.000 0.254 196 G HA3 -0.445 3.515 3.960 -0.001 0.000 0.254 196 G C 0.881 175.616 174.900 -0.275 0.000 0.988 196 G CA 0.641 45.594 45.100 -0.245 0.000 0.625 196 G HN 0.292 nan 8.290 nan 0.000 0.527 197 R N -0.320 119.970 120.500 -0.349 0.000 2.081 197 R HA 0.211 4.550 4.340 -0.001 0.000 0.235 197 R C 1.715 177.786 176.300 -0.381 0.000 1.131 197 R CA 1.360 57.216 56.100 -0.407 0.000 0.960 197 R CB -0.466 29.701 30.300 -0.222 0.000 0.856 197 R HN 0.619 nan 8.270 nan 0.000 0.436 198 I N 1.772 122.206 120.570 -0.227 0.000 2.257 198 I HA 0.098 4.267 4.170 -0.001 0.000 0.290 198 I C 1.524 177.568 176.117 -0.121 0.000 1.137 198 I CA -0.144 61.085 61.300 -0.118 0.000 1.255 198 I CB 0.857 38.850 38.000 -0.012 0.000 1.485 198 I HN 0.238 nan 8.210 nan 0.000 0.534 199 T N 3.542 118.014 114.554 -0.136 0.000 3.269 199 T HA -0.099 4.250 4.350 -0.001 0.000 0.216 199 T C 0.590 175.246 174.700 -0.074 0.000 1.111 199 T CA 0.679 62.713 62.100 -0.110 0.000 2.053 199 T CB -0.022 68.778 68.868 -0.114 0.000 1.224 199 T HN 0.659 nan 8.240 nan 0.000 0.352 200 D N 0.845 121.205 120.400 -0.067 0.000 2.525 200 D HA 0.105 4.744 4.640 -0.001 0.000 0.235 200 D C 0.804 177.079 176.300 -0.042 0.000 1.137 200 D CA 0.058 54.021 54.000 -0.061 0.000 0.868 200 D CB 0.841 41.604 40.800 -0.061 0.000 1.180 200 D HN 0.261 nan 8.370 nan 0.000 0.465 201 V N 0.785 120.670 119.914 -0.048 0.000 3.350 201 V HA 0.160 4.280 4.120 -0.001 0.000 0.246 201 V C 0.805 176.849 176.094 -0.083 0.000 1.363 201 V CA 0.013 62.313 62.300 0.002 0.000 1.162 201 V CB 0.017 31.874 31.823 0.056 0.000 0.947 201 V HN 0.542 nan 8.190 nan 0.000 0.454 202 I N 2.296 122.724 120.570 -0.236 0.000 2.389 202 I HA 0.426 4.595 4.170 -0.001 0.000 0.288 202 I C -2.636 173.246 176.117 -0.392 0.000 0.999 202 I CA -1.914 59.028 61.300 -0.596 0.000 1.129 202 I CB 2.220 39.877 38.000 -0.572 0.000 1.288 202 I HN 0.074 nan 8.210 nan 0.000 0.444 203 P HA 0.039 nan 4.420 nan 0.000 0.271 203 P C -0.342 176.867 177.300 -0.152 0.000 1.244 203 P CA -0.352 62.641 63.100 -0.179 0.000 0.793 203 P CB 0.421 32.064 31.700 -0.094 0.000 0.984 204 S N -0.482 115.167 115.700 -0.085 0.000 2.572 204 S HA 0.377 4.847 4.470 -0.001 0.000 0.279 204 S C 0.916 175.489 174.600 -0.044 0.000 1.341 204 S CA 0.253 58.416 58.200 -0.062 0.000 1.043 204 S CB -0.586 62.590 63.200 -0.039 0.000 0.887 204 S HN 0.741 nan 8.310 nan 0.000 0.516 205 E N -0.532 119.649 120.200 -0.032 0.000 2.722 205 E HA -0.256 4.093 4.350 -0.001 0.000 0.265 205 E C 1.008 177.606 176.600 -0.003 0.000 1.081 205 E CA 1.771 58.165 56.400 -0.010 0.000 0.781 205 E CB -2.368 27.332 29.700 0.001 0.000 1.372 205 E HN 1.694 nan 8.360 nan 0.000 0.423 206 A N -0.985 121.812 122.820 -0.038 0.000 1.984 206 A HA 0.598 4.918 4.320 -0.001 0.000 0.214 206 A C 1.295 178.895 177.584 0.025 0.000 1.173 206 A CA 1.155 53.183 52.037 -0.014 0.000 0.673 206 A CB 0.446 19.306 19.000 -0.233 0.000 0.830 206 A HN 0.885 nan 8.150 nan 0.000 0.453 207 I N 0.853 121.412 120.570 -0.019 0.000 2.493 207 I HA 0.351 4.521 4.170 -0.001 0.000 0.298 207 I C -0.517 175.614 176.117 0.024 0.000 0.998 207 I CA -0.764 60.536 61.300 -0.001 0.000 1.137 207 I CB 2.005 40.020 38.000 0.025 0.000 1.310 207 I HN 0.555 nan 8.210 nan 0.000 0.445 208 N N 2.997 121.706 118.700 0.016 0.000 3.418 208 N HA 0.200 4.939 4.740 -0.001 0.000 0.316 208 N C 0.424 175.978 175.510 0.073 0.000 1.601 208 N CA -0.758 52.320 53.050 0.048 0.000 0.805 208 N CB 0.231 38.738 38.487 0.033 0.000 1.873 208 N HN 0.458 nan 8.380 nan 0.000 0.615 209 E N 0.366 120.611 120.200 0.075 0.000 2.118 209 E HA -0.147 4.202 4.350 -0.001 0.000 0.195 209 E C 1.407 178.056 176.600 0.081 0.000 0.992 209 E CA 1.338 57.793 56.400 0.091 0.000 0.804 209 E CB -0.640 29.100 29.700 0.067 0.000 0.741 209 E HN 0.647 nan 8.360 nan 0.000 0.458 210 L N 1.414 122.668 121.223 0.051 0.000 2.465 210 L HA 0.014 4.353 4.340 -0.001 0.000 0.224 210 L C 0.881 177.751 176.870 -0.000 0.000 1.145 210 L CA 0.487 55.357 54.840 0.049 0.000 0.834 210 L CB -0.564 41.530 42.059 0.058 0.000 0.944 210 L HN -0.071 nan 8.230 nan 0.000 0.451 211 T N 0.251 114.746 114.554 -0.098 0.000 2.829 211 T HA 0.082 4.431 4.350 -0.001 0.000 0.293 211 T C 1.126 175.572 174.700 -0.423 0.000 0.970 211 T CA -0.156 61.724 62.100 -0.367 0.000 1.168 211 T CB 1.702 70.157 68.868 -0.689 0.000 0.911 211 T HN -0.077 nan 8.240 nan 0.000 0.535 212 V N 3.897 123.574 119.914 -0.394 0.000 2.635 212 V HA 0.337 4.456 4.120 -0.001 0.000 0.233 212 V C 0.705 176.700 176.094 -0.166 0.000 1.097 212 V CA 0.294 62.466 62.300 -0.213 0.000 1.134 212 V CB -0.096 31.529 31.823 -0.331 0.000 0.841 212 V HN 0.607 nan 8.190 nan 0.000 0.496 213 L N 0.784 121.834 121.223 -0.288 0.000 2.341 213 L HA 0.651 4.990 4.340 -0.001 0.000 0.278 213 L C -1.399 175.396 176.870 -0.124 0.000 1.005 213 L CA -0.373 54.390 54.840 -0.128 0.000 0.818 213 L CB 2.272 44.245 42.059 -0.143 0.000 1.259 213 L HN 0.047 nan 8.230 nan 0.000 0.418 214 V N 4.548 124.484 119.914 0.036 0.000 2.577 214 V HA 0.396 4.515 4.120 -0.001 0.000 0.303 214 V C -0.829 175.380 176.094 0.192 0.000 1.042 214 V CA -0.559 61.818 62.300 0.129 0.000 0.872 214 V CB 2.383 34.329 31.823 0.204 0.000 0.998 214 V HN 0.421 nan 8.190 nan 0.000 0.423 215 L N 6.727 128.023 121.223 0.121 0.000 2.287 215 L HA 0.761 5.100 4.340 -0.001 0.000 0.287 215 L C -0.600 176.380 176.870 0.183 0.000 1.022 215 L CA -0.002 54.859 54.840 0.035 0.000 0.814 215 L CB 1.642 43.554 42.059 -0.246 0.000 1.217 215 L HN 0.477 nan 8.230 nan 0.000 0.420 216 V N 6.116 126.186 119.914 0.260 0.000 2.680 216 V HA 0.795 4.914 4.120 -0.001 0.000 0.309 216 V C -1.306 174.961 176.094 0.288 0.000 1.052 216 V CA -0.247 62.270 62.300 0.361 0.000 0.908 216 V CB 2.077 34.188 31.823 0.479 0.000 1.001 216 V HN 1.064 nan 8.190 nan 0.000 0.431 217 N N 2.554 121.454 118.700 0.333 0.000 2.371 217 N HA 0.801 5.541 4.740 -0.001 0.000 0.280 217 N C -0.974 174.797 175.510 0.435 0.000 1.084 217 N CA -0.164 53.082 53.050 0.326 0.000 0.892 217 N CB 2.384 41.018 38.487 0.245 0.000 1.653 217 N HN 0.835 nan 8.380 nan 0.000 0.480 218 T N -1.280 113.474 114.554 0.335 0.000 2.786 218 T HA 0.634 4.984 4.350 -0.001 0.000 0.316 218 T C -1.409 173.481 174.700 0.318 0.000 1.503 218 T CA -0.834 61.465 62.100 0.332 0.000 1.019 218 T CB 0.874 69.877 68.868 0.224 0.000 1.415 218 T HN 0.508 nan 8.240 nan 0.000 0.496 219 I N 1.268 122.090 120.570 0.419 0.000 2.730 219 I HA 0.519 4.689 4.170 -0.001 0.000 0.298 219 I C -1.684 174.821 176.117 0.646 0.000 1.089 219 I CA -1.140 60.417 61.300 0.428 0.000 1.041 219 I CB 2.564 40.731 38.000 0.279 0.000 1.235 219 I HN 0.796 nan 8.210 nan 0.000 0.423 220 Y N 6.008 126.550 120.300 0.404 0.000 2.331 220 Y HA 0.539 5.089 4.550 -0.001 0.000 0.334 220 Y C -1.579 174.571 175.900 0.417 0.000 0.960 220 Y CA -1.060 57.260 58.100 0.367 0.000 1.130 220 Y CB 1.381 39.948 38.460 0.178 0.000 1.164 220 Y HN 0.379 nan 8.280 nan 0.000 0.458 221 F N 6.853 126.609 119.950 -0.322 0.000 2.507 221 F HA 0.601 5.128 4.527 -0.001 0.000 0.325 221 F C -1.402 174.004 175.800 -0.657 0.000 1.116 221 F CA -1.036 56.774 58.000 -0.316 0.000 0.930 221 F CB 1.307 40.304 39.000 -0.004 0.000 1.146 221 F HN 0.475 nan 8.300 nan 0.000 0.447 222 K N 4.451 124.011 120.400 -1.401 0.000 2.463 222 K HA 0.750 5.070 4.320 -0.001 0.000 0.255 222 K C -0.995 174.763 176.600 -1.404 0.000 0.942 222 K CA -0.651 54.935 56.287 -1.169 0.000 0.814 222 K CB 1.459 33.635 32.500 -0.541 0.000 1.122 222 K HN 0.957 nan 8.250 nan 0.000 0.425 223 G N 3.270 111.313 108.800 -1.261 0.000 2.720 223 G HA2 0.469 4.428 3.960 -0.001 0.000 0.295 223 G HA3 0.469 4.428 3.960 -0.001 0.000 0.295 223 G C -1.759 172.991 174.900 -0.250 0.000 1.437 223 G CA -0.770 43.873 45.100 -0.763 0.000 0.886 223 G HN 0.476 nan 8.290 nan 0.000 0.509 224 L N 0.513 121.754 121.223 0.030 0.000 2.325 224 L HA 0.475 4.815 4.340 -0.001 0.000 0.278 224 L C -0.046 176.997 176.870 0.289 0.000 1.023 224 L CA -0.867 54.021 54.840 0.080 0.000 0.811 224 L CB 1.710 43.812 42.059 0.071 0.000 1.249 224 L HN 0.646 nan 8.230 nan 0.000 0.431 225 W N 2.583 124.013 121.300 0.217 0.000 2.187 225 W HA -0.028 4.632 4.660 -0.001 0.000 0.348 225 W C 1.493 178.047 176.519 0.058 0.000 1.282 225 W CA -0.170 57.206 57.345 0.053 0.000 1.271 225 W CB 0.639 30.112 29.460 0.022 0.000 1.170 225 W HN 0.576 nan 8.180 nan 0.000 0.583 226 K N 0.773 121.366 120.400 0.322 0.000 2.243 226 K HA -0.067 4.252 4.320 -0.001 0.000 0.201 226 K C 0.664 177.314 176.600 0.084 0.000 1.051 226 K CA 0.903 57.293 56.287 0.172 0.000 0.970 226 K CB 0.118 32.693 32.500 0.126 0.000 0.755 226 K HN 0.230 nan 8.250 nan 0.000 0.465 227 S N 1.316 117.050 115.700 0.058 0.000 2.399 227 S HA 0.263 4.733 4.470 -0.001 0.000 0.215 227 S C -1.136 173.375 174.600 -0.148 0.000 1.456 227 S CA -0.872 57.277 58.200 -0.086 0.000 1.199 227 S CB 0.356 63.436 63.200 -0.200 0.000 1.063 227 S HN 0.144 nan 8.310 nan 0.000 0.476 228 K N 2.401 122.798 120.400 -0.006 0.000 2.380 228 K HA 0.211 4.530 4.320 -0.001 0.000 0.267 228 K C -0.539 175.990 176.600 -0.118 0.000 0.990 228 K CA 0.245 56.573 56.287 0.068 0.000 0.946 228 K CB 0.342 32.944 32.500 0.171 0.000 0.937 228 K HN 0.447 nan 8.250 nan 0.000 0.491 229 F N 0.191 120.158 119.950 0.028 0.000 2.371 229 F HA 0.129 4.655 4.527 -0.002 0.000 0.329 229 F C 1.120 176.936 175.800 0.026 0.000 1.107 229 F CA -0.264 57.723 58.000 -0.022 0.000 1.137 229 F CB 1.494 40.482 39.000 -0.021 0.000 1.214 229 F HN 0.325 nan 8.300 nan 0.000 0.536 230 S N 2.317 118.138 115.700 0.202 0.000 2.462 230 S HA 0.343 4.812 4.470 -0.001 0.000 0.294 230 S C -1.846 172.847 174.600 0.155 0.000 1.144 230 S CA -1.663 56.622 58.200 0.141 0.000 1.088 230 S CB 1.203 64.457 63.200 0.090 0.000 1.009 230 S HN 0.279 nan 8.310 nan 0.000 0.484 231 P HA -0.068 nan 4.420 nan 0.000 0.219 231 P C 0.828 178.184 177.300 0.094 0.000 1.146 231 P CA 0.984 64.145 63.100 0.102 0.000 0.808 231 P CB 0.141 31.888 31.700 0.079 0.000 0.779 232 E N -0.721 119.533 120.200 0.090 0.000 2.209 232 E HA -0.154 4.196 4.350 -0.001 0.000 0.196 232 E C 1.079 177.742 176.600 0.104 0.000 0.993 232 E CA 0.798 57.248 56.400 0.083 0.000 0.819 232 E CB -0.393 29.350 29.700 0.072 0.000 0.745 232 E HN 0.346 nan 8.360 nan 0.000 0.477 233 N N 0.291 119.078 118.700 0.144 0.000 2.280 233 N HA -0.002 4.737 4.740 -0.001 0.000 0.192 233 N C -0.291 175.341 175.510 0.203 0.000 1.109 233 N CA 0.300 53.471 53.050 0.203 0.000 0.855 233 N CB 0.691 39.370 38.487 0.321 0.000 0.974 233 N HN -0.047 nan 8.380 nan 0.000 0.482 234 T N 1.484 116.126 114.554 0.146 0.000 2.851 234 T HA 0.244 4.593 4.350 -0.001 0.000 0.298 234 T C 0.415 175.168 174.700 0.089 0.000 0.977 234 T CA -0.097 62.073 62.100 0.117 0.000 1.126 234 T CB 0.971 69.884 68.868 0.075 0.000 0.916 234 T HN -0.101 nan 8.240 nan 0.000 0.529 235 R N 2.454 123.005 120.500 0.084 0.000 2.538 235 R HA 0.338 4.678 4.340 -0.001 0.000 0.292 235 R C -0.730 175.592 176.300 0.037 0.000 1.008 235 R CA -1.268 54.862 56.100 0.051 0.000 0.896 235 R CB 1.208 31.529 30.300 0.036 0.000 1.187 235 R HN 0.550 nan 8.270 nan 0.000 0.440 236 K N 1.726 122.141 120.400 0.024 0.000 2.491 236 K HA 0.079 4.399 4.320 -0.001 0.000 0.279 236 K C 0.181 176.783 176.600 0.003 0.000 1.026 236 K CA 0.528 56.825 56.287 0.016 0.000 1.070 236 K CB 0.277 32.783 32.500 0.011 0.000 0.887 236 K HN 0.539 nan 8.250 nan 0.000 0.481 237 E N 1.630 121.831 120.200 0.001 0.000 2.433 237 E HA 0.439 4.788 4.350 -0.001 0.000 0.273 237 E C -0.088 176.481 176.600 -0.052 0.000 0.950 237 E CA -0.918 55.463 56.400 -0.031 0.000 0.796 237 E CB 1.966 31.641 29.700 -0.041 0.000 1.330 237 E HN 0.440 nan 8.360 nan 0.000 0.455 238 L N 1.360 122.502 121.223 -0.134 0.000 2.397 238 L HA 0.504 4.843 4.340 -0.001 0.000 0.271 238 L C -0.264 176.382 176.870 -0.373 0.000 1.148 238 L CA -0.226 54.455 54.840 -0.265 0.000 0.825 238 L CB 0.309 42.122 42.059 -0.409 0.000 1.117 238 L HN 0.580 nan 8.230 nan 0.000 0.456 239 F N 2.932 122.613 119.950 -0.448 0.000 2.460 239 F HA 0.421 4.947 4.527 -0.001 0.000 0.341 239 F C -0.789 174.794 175.800 -0.362 0.000 1.130 239 F CA -0.711 57.085 58.000 -0.340 0.000 0.962 239 F CB 0.813 39.746 39.000 -0.113 0.000 1.171 239 F HN 0.154 nan 8.300 nan 0.000 0.436 240 Y N 5.280 125.364 120.300 -0.361 0.000 2.316 240 Y HA 0.398 4.948 4.550 -0.001 0.000 0.331 240 Y C 0.376 176.158 175.900 -0.196 0.000 1.083 240 Y CA -0.541 57.440 58.100 -0.198 0.000 1.206 240 Y CB 0.734 39.079 38.460 -0.192 0.000 1.195 240 Y HN 0.484 nan 8.280 nan 0.000 0.497 241 K N 1.091 121.601 120.400 0.184 0.000 2.240 241 K HA 0.638 4.958 4.320 -0.001 0.000 0.237 241 K C 0.963 177.629 176.600 0.110 0.000 1.027 241 K CA -0.273 56.129 56.287 0.192 0.000 0.937 241 K CB 0.866 33.490 32.500 0.206 0.000 1.171 241 K HN 0.673 nan 8.250 nan 0.000 0.479 242 A N 1.235 124.114 122.820 0.099 0.000 1.877 242 A HA -0.198 4.121 4.320 -0.001 0.000 0.216 242 A C 1.454 179.066 177.584 0.047 0.000 1.186 242 A CA 2.281 54.354 52.037 0.061 0.000 0.620 242 A CB -0.938 18.096 19.000 0.056 0.000 0.822 242 A HN 0.919 nan 8.150 nan 0.000 0.443 243 D N -1.729 118.704 120.400 0.054 0.000 2.403 243 D HA 0.218 4.858 4.640 -0.001 0.000 0.227 243 D C 1.182 177.505 176.300 0.038 0.000 0.995 243 D CA 1.158 55.183 54.000 0.041 0.000 0.928 243 D CB -0.752 40.075 40.800 0.044 0.000 0.887 243 D HN 0.896 nan 8.370 nan 0.000 0.529 244 G N -0.957 107.870 108.800 0.044 0.000 2.179 244 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.260 244 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.260 244 G C 0.388 175.323 174.900 0.057 0.000 0.977 244 G CA 0.395 45.513 45.100 0.029 0.000 0.641 244 G HN 0.382 nan 8.290 nan 0.000 0.533 245 E N -0.016 120.239 120.200 0.091 0.000 4.034 245 E HA 0.730 5.080 4.350 -0.001 0.000 0.297 245 E C 0.379 177.102 176.600 0.205 0.000 1.372 245 E CA 0.233 56.703 56.400 0.116 0.000 1.555 245 E CB 0.897 30.651 29.700 0.089 0.000 1.488 245 E HN 0.492 nan 8.360 nan 0.000 0.782 246 S N -1.218 114.587 115.700 0.174 0.000 2.547 246 S HA 0.561 5.030 4.470 -0.001 0.000 0.270 246 S C -1.171 173.479 174.600 0.082 0.000 1.150 246 S CA -0.526 57.769 58.200 0.159 0.000 0.850 246 S CB 0.356 63.694 63.200 0.230 0.000 1.118 246 S HN 0.663 nan 8.310 nan 0.000 0.461 247 c N 1.510 120.140 118.600 0.050 0.000 3.318 247 c HA 0.946 5.516 4.570 -0.001 0.000 0.322 247 c C -0.257 173.844 174.090 0.018 0.000 1.398 247 c CA -0.459 55.895 56.329 0.040 0.000 1.339 247 c CB 0.804 43.344 42.510 0.051 0.000 1.668 247 c HN 1.146 nan 8.230 nan 0.000 0.462 248 S N 1.166 116.872 115.700 0.010 0.000 2.438 248 S HA 0.781 5.250 4.470 -0.001 0.000 0.293 248 S C -0.222 174.383 174.600 0.008 0.000 1.141 248 S CA 0.286 58.489 58.200 0.005 0.000 1.080 248 S CB 0.866 64.067 63.200 0.002 0.000 0.978 248 S HN 2.100 nan 8.310 nan 0.000 0.479 249 A N 2.924 125.757 122.820 0.022 0.000 2.346 249 A HA 0.802 5.122 4.320 -0.001 0.000 0.313 249 A C 0.051 177.654 177.584 0.031 0.000 1.140 249 A CA -0.981 51.066 52.037 0.016 0.000 0.826 249 A CB 1.138 20.150 19.000 0.020 0.000 1.332 249 A HN 0.817 nan 8.150 nan 0.000 0.457 250 S N 1.117 116.836 115.700 0.030 0.000 2.681 250 S HA 0.261 4.730 4.470 -0.001 0.000 0.313 250 S C -0.127 174.500 174.600 0.046 0.000 1.137 250 S CA -0.120 58.099 58.200 0.032 0.000 1.045 250 S CB -0.471 62.740 63.200 0.019 0.000 1.208 250 S HN 0.543 nan 8.310 nan 0.000 0.523 251 M N 5.048 124.688 119.600 0.067 0.000 2.266 251 M HA 0.268 4.747 4.480 -0.001 0.000 0.340 251 M C -0.151 176.210 176.300 0.102 0.000 1.486 251 M CA 0.145 55.504 55.300 0.100 0.000 1.209 251 M CB -0.325 32.347 32.600 0.120 0.000 1.714 251 M HN 0.515 nan 8.290 nan 0.000 0.459 252 M N 3.887 123.480 119.600 -0.012 0.000 2.245 252 M HA 0.176 4.656 4.480 -0.001 0.000 0.330 252 M C -0.898 175.467 176.300 0.109 0.000 1.098 252 M CA 0.205 55.438 55.300 -0.113 0.000 1.172 252 M CB 0.521 32.704 32.600 -0.694 0.000 1.467 252 M HN 0.633 nan 8.290 nan 0.000 0.454 253 Y N 2.094 122.474 120.300 0.132 0.000 2.441 253 Y HA 0.457 5.007 4.550 -0.001 0.000 0.334 253 Y C -1.281 174.736 175.900 0.195 0.000 1.061 253 Y CA -0.693 57.475 58.100 0.114 0.000 1.032 253 Y CB 1.394 39.865 38.460 0.018 0.000 1.266 253 Y HN 0.743 nan 8.280 nan 0.000 0.441 254 Q N 3.426 122.727 119.800 -0.831 0.000 2.630 254 Q HA 0.581 4.920 4.340 -0.001 0.000 0.295 254 Q C -2.000 173.557 176.000 -0.739 0.000 0.944 254 Q CA -1.139 54.178 55.803 -0.809 0.000 0.766 254 Q CB 2.565 30.976 28.738 -0.546 0.000 1.471 254 Q HN 0.552 nan 8.270 nan 0.000 0.416 255 E N 0.082 119.995 120.200 -0.479 0.000 2.210 255 E HA 0.743 5.092 4.350 -0.001 0.000 0.266 255 E C -0.779 175.698 176.600 -0.206 0.000 0.883 255 E CA -0.388 55.853 56.400 -0.265 0.000 0.761 255 E CB 1.934 31.521 29.700 -0.189 0.000 1.156 255 E HN 0.859 nan 8.360 nan 0.000 0.412 256 G N 1.562 110.268 108.800 -0.157 0.000 2.488 256 G HA2 0.322 4.281 3.960 -0.001 0.000 0.301 256 G HA3 0.322 4.281 3.960 -0.001 0.000 0.301 256 G C -1.268 173.341 174.900 -0.485 0.000 1.339 256 G CA -0.820 44.052 45.100 -0.380 0.000 0.803 256 G HN 0.191 nan 8.290 nan 0.000 0.482 257 K N 0.067 120.043 120.400 -0.707 0.000 2.234 257 K HA 0.615 4.935 4.320 -0.001 0.000 0.277 257 K C -1.511 174.611 176.600 -0.798 0.000 1.038 257 K CA -0.132 55.843 56.287 -0.520 0.000 0.888 257 K CB 1.042 33.340 32.500 -0.336 0.000 1.091 257 K HN 0.262 nan 8.250 nan 0.000 0.467 258 F N 0.746 120.615 119.950 -0.136 0.000 2.601 258 F HA 0.377 4.903 4.527 -0.002 0.000 0.309 258 F C 0.278 176.049 175.800 -0.048 0.000 1.089 258 F CA -1.063 56.863 58.000 -0.123 0.000 0.940 258 F CB 1.478 40.366 39.000 -0.187 0.000 1.273 258 F HN 0.168 nan 8.300 nan 0.000 0.450 259 R N 2.050 122.654 120.500 0.173 0.000 2.404 259 R HA 0.185 4.524 4.340 -0.001 0.000 0.315 259 R C -1.200 175.198 176.300 0.163 0.000 1.032 259 R CA 0.134 56.307 56.100 0.123 0.000 0.992 259 R CB 0.214 30.563 30.300 0.081 0.000 0.959 259 R HN 0.680 nan 8.270 nan 0.000 0.428 260 Y N 1.998 122.302 120.300 0.007 0.000 2.693 260 Y HA 0.613 5.162 4.550 -0.002 0.000 0.331 260 Y C -1.030 174.863 175.900 -0.012 0.000 1.092 260 Y CA -1.372 56.718 58.100 -0.017 0.000 1.131 260 Y CB 1.781 40.236 38.460 -0.008 0.000 1.318 260 Y HN 0.464 nan 8.280 nan 0.000 0.510 261 R N 2.397 122.343 120.500 -0.924 0.000 3.971 261 R HA 0.257 4.597 4.340 -0.001 0.000 0.243 261 R C -2.333 173.449 176.300 -0.863 0.000 1.054 261 R CA -0.525 55.196 56.100 -0.632 0.000 1.243 261 R CB 0.714 30.830 30.300 -0.307 0.000 1.244 261 R HN 0.833 nan 8.270 nan 0.000 0.547 262 R N 4.287 124.472 120.500 -0.524 0.000 2.207 262 R HA 0.512 4.851 4.340 -0.001 0.000 0.334 262 R C 0.235 176.346 176.300 -0.315 0.000 1.013 262 R CA -0.413 55.473 56.100 -0.358 0.000 0.858 262 R CB 0.720 30.967 30.300 -0.087 0.000 1.094 262 R HN 0.520 nan 8.270 nan 0.000 0.457 263 V N 1.656 121.306 119.914 -0.440 0.000 3.842 263 V HA 0.668 4.788 4.120 -0.001 0.000 0.281 263 V C 0.371 176.311 176.094 -0.257 0.000 1.228 263 V CA -0.797 61.227 62.300 -0.460 0.000 0.897 263 V CB 0.253 31.425 31.823 -1.084 0.000 1.257 263 V HN 0.794 nan 8.190 nan 0.000 0.451 264 A N -0.171 122.556 122.820 -0.155 0.000 2.567 264 A HA 0.273 4.593 4.320 -0.001 0.000 0.240 264 A C 0.746 178.314 177.584 -0.027 0.000 1.053 264 A CA 0.817 52.846 52.037 -0.013 0.000 0.755 264 A CB -1.231 17.844 19.000 0.126 0.000 0.978 264 A HN 1.166 nan 8.150 nan 0.000 0.507 265 E N 0.870 121.063 120.200 -0.011 0.000 2.586 265 E HA -0.271 4.078 4.350 -0.001 0.000 0.259 265 E C 0.966 177.546 176.600 -0.033 0.000 1.107 265 E CA 0.985 57.380 56.400 -0.008 0.000 0.754 265 E CB -1.974 27.737 29.700 0.018 0.000 1.335 265 E HN 2.272 nan 8.360 nan 0.000 0.411 266 G N -0.439 108.326 108.800 -0.059 0.000 2.168 266 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.263 266 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.263 266 G C 0.360 175.201 174.900 -0.099 0.000 0.977 266 G CA 0.652 45.713 45.100 -0.065 0.000 0.659 266 G HN 0.298 nan 8.290 nan 0.000 0.533 267 T N 1.385 115.845 114.554 -0.155 0.000 2.870 267 T HA 0.424 4.773 4.350 -0.001 0.000 0.300 267 T C 0.497 175.033 174.700 -0.273 0.000 0.989 267 T CA 0.356 62.339 62.100 -0.194 0.000 1.139 267 T CB 0.945 69.668 68.868 -0.240 0.000 0.920 267 T HN 0.442 nan 8.240 nan 0.000 0.537 268 Q N 1.922 121.632 119.800 -0.149 0.000 2.257 268 Q HA 0.528 4.868 4.340 -0.001 0.000 0.255 268 Q C -0.901 175.100 176.000 0.003 0.000 0.920 268 Q CA -0.710 55.039 55.803 -0.089 0.000 0.927 268 Q CB 1.734 30.589 28.738 0.194 0.000 1.229 268 Q HN 0.375 nan 8.270 nan 0.000 0.433 269 V N 4.063 123.854 119.914 -0.205 0.000 2.378 269 V HA 0.359 4.478 4.120 -0.001 0.000 0.288 269 V C -0.932 175.104 176.094 -0.096 0.000 1.016 269 V CA -0.709 61.539 62.300 -0.086 0.000 0.840 269 V CB 1.377 33.101 31.823 -0.165 0.000 0.994 269 V HN 0.534 nan 8.190 nan 0.000 0.431 270 L N 4.572 125.767 121.223 -0.045 0.000 2.341 270 L HA 0.641 4.980 4.340 -0.001 0.000 0.278 270 L C -0.333 176.449 176.870 -0.148 0.000 1.005 270 L CA -0.056 54.654 54.840 -0.218 0.000 0.818 270 L CB 1.818 43.368 42.059 -0.849 0.000 1.259 270 L HN 0.758 nan 8.230 nan 0.000 0.418 271 E N 4.921 125.069 120.200 -0.087 0.000 2.151 271 E HA 0.488 4.837 4.350 -0.001 0.000 0.275 271 E C -1.634 174.929 176.600 -0.062 0.000 0.936 271 E CA -0.534 55.856 56.400 -0.017 0.000 0.777 271 E CB 1.034 30.768 29.700 0.056 0.000 1.108 271 E HN 0.687 nan 8.360 nan 0.000 0.401 272 L N 7.638 128.801 121.223 -0.100 0.000 2.318 272 L HA 0.460 4.799 4.340 -0.001 0.000 0.277 272 L C -2.187 174.676 176.870 -0.012 0.000 1.008 272 L CA -2.025 52.692 54.840 -0.205 0.000 0.846 272 L CB 1.440 43.108 42.059 -0.651 0.000 1.220 272 L HN 0.427 nan 8.230 nan 0.000 0.423 273 P HA 0.284 nan 4.420 nan 0.000 0.276 273 P C -0.998 176.390 177.300 0.145 0.000 1.252 273 P CA -0.274 62.911 63.100 0.142 0.000 0.802 273 P CB 1.068 32.859 31.700 0.152 0.000 1.035 274 F N -0.138 120.022 119.950 0.350 0.000 2.497 274 F HA 0.346 4.873 4.527 -0.001 0.000 0.331 274 F C 1.414 177.349 175.800 0.226 0.000 1.060 274 F CA -0.925 57.273 58.000 0.330 0.000 0.989 274 F CB 0.750 39.952 39.000 0.335 0.000 1.245 274 F HN 0.001 nan 8.300 nan 0.000 0.486 275 K N 0.864 121.495 120.400 0.385 0.000 2.527 275 K HA 0.242 4.561 4.320 -0.001 0.000 0.278 275 K C 0.901 177.641 176.600 0.233 0.000 0.981 275 K CA 1.130 57.559 56.287 0.236 0.000 1.009 275 K CB -0.015 32.590 32.500 0.176 0.000 0.895 275 K HN 0.937 nan 8.250 nan 0.000 0.493 276 G N 1.814 110.713 108.800 0.165 0.000 2.376 276 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.208 276 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.208 276 G C 0.143 175.122 174.900 0.132 0.000 1.032 276 G CA 0.449 45.635 45.100 0.143 0.000 0.641 276 G HN 0.603 nan 8.290 nan 0.000 0.503 277 D N -0.141 120.360 120.400 0.168 0.000 2.328 277 D HA -0.143 4.497 4.640 -0.001 0.000 0.167 277 D C 0.893 177.273 176.300 0.132 0.000 1.205 277 D CA 1.898 55.983 54.000 0.140 0.000 1.128 277 D CB -1.558 39.296 40.800 0.090 0.000 1.157 277 D HN 0.520 nan 8.370 nan 0.000 0.468 278 D N 0.229 120.700 120.400 0.119 0.000 2.277 278 D HA 0.117 4.756 4.640 -0.001 0.000 0.208 278 D C 1.015 177.368 176.300 0.088 0.000 0.962 278 D CA 0.549 54.599 54.000 0.084 0.000 0.865 278 D CB 0.647 41.478 40.800 0.052 0.000 0.939 278 D HN 0.394 nan 8.370 nan 0.000 0.510 279 I N 0.798 121.451 120.570 0.138 0.000 2.433 279 I HA 0.207 4.376 4.170 -0.001 0.000 0.292 279 I C 0.021 176.383 176.117 0.408 0.000 1.001 279 I CA -0.373 60.999 61.300 0.120 0.000 1.119 279 I CB 2.072 39.973 38.000 -0.166 0.000 1.289 279 I HN -0.182 nan 8.210 nan 0.000 0.438 280 T N 2.968 117.754 114.554 0.386 0.000 2.883 280 T HA 0.621 4.970 4.350 -0.001 0.000 0.296 280 T C -0.723 174.272 174.700 0.491 0.000 1.117 280 T CA -0.910 61.448 62.100 0.431 0.000 1.006 280 T CB 2.138 71.147 68.868 0.236 0.000 1.191 280 T HN 0.534 nan 8.240 nan 0.000 0.508 281 M N 2.439 122.297 119.600 0.431 0.000 2.227 281 M HA 0.657 5.136 4.480 -0.001 0.000 0.335 281 M C -1.766 174.728 176.300 0.324 0.000 1.053 281 M CA -0.729 54.867 55.300 0.493 0.000 0.973 281 M CB 1.259 34.235 32.600 0.626 0.000 1.623 281 M HN 0.593 nan 8.290 nan 0.000 0.434 282 V N 6.547 126.683 119.914 0.370 0.000 2.398 282 V HA 0.478 4.598 4.120 -0.001 0.000 0.286 282 V C -0.360 175.978 176.094 0.407 0.000 1.026 282 V CA -0.689 61.781 62.300 0.283 0.000 0.868 282 V CB 1.518 33.459 31.823 0.196 0.000 0.982 282 V HN 0.796 nan 8.190 nan 0.000 0.443 283 L N 5.821 127.217 121.223 0.289 0.000 2.329 283 L HA 0.640 4.979 4.340 -0.001 0.000 0.279 283 L C -0.634 176.496 176.870 0.433 0.000 1.014 283 L CA -0.504 54.581 54.840 0.409 0.000 0.814 283 L CB 1.947 44.171 42.059 0.275 0.000 1.257 283 L HN 0.457 nan 8.230 nan 0.000 0.424 284 I N 4.387 125.263 120.570 0.509 0.000 2.382 284 I HA 0.298 4.467 4.170 -0.001 0.000 0.286 284 I C -0.964 175.373 176.117 0.367 0.000 1.002 284 I CA -0.519 61.026 61.300 0.408 0.000 1.135 284 I CB 2.126 40.409 38.000 0.473 0.000 1.288 284 I HN 0.350 nan 8.210 nan 0.000 0.448 285 L N 10.479 131.834 121.223 0.221 0.000 2.318 285 L HA 0.625 4.965 4.340 -0.001 0.000 0.277 285 L C -2.430 174.435 176.870 -0.008 0.000 1.008 285 L CA -1.776 53.105 54.840 0.068 0.000 0.846 285 L CB 1.370 43.257 42.059 -0.287 0.000 1.220 285 L HN 0.241 nan 8.230 nan 0.000 0.423 286 P HA 0.169 nan 4.420 nan 0.000 0.274 286 P C -1.161 176.119 177.300 -0.034 0.000 1.246 286 P CA -0.581 62.523 63.100 0.007 0.000 0.795 286 P CB 0.693 32.425 31.700 0.052 0.000 1.006 287 K N 1.581 121.958 120.400 -0.038 0.000 2.276 287 K HA 0.118 4.437 4.320 -0.001 0.000 0.259 287 K C -1.953 174.620 176.600 -0.044 0.000 1.001 287 K CA -1.122 55.136 56.287 -0.048 0.000 0.927 287 K CB -0.842 31.635 32.500 -0.037 0.000 0.969 287 K HN 0.124 nan 8.250 nan 0.000 0.490 288 P HA -0.244 nan 4.420 nan 0.000 0.216 288 P C 0.430 177.698 177.300 -0.053 0.000 1.157 288 P CA 1.634 64.698 63.100 -0.061 0.000 0.880 288 P CB 0.117 31.774 31.700 -0.072 0.000 0.791 289 E N 0.147 120.321 120.200 -0.044 0.000 1.997 289 E HA -0.140 4.210 4.350 -0.001 0.000 0.201 289 E C 0.964 177.552 176.600 -0.020 0.000 1.011 289 E CA 1.010 57.389 56.400 -0.034 0.000 0.847 289 E CB -1.042 28.641 29.700 -0.027 0.000 0.787 289 E HN 0.176 nan 8.360 nan 0.000 0.472 290 K N 0.935 121.330 120.400 -0.009 0.000 2.542 290 K HA -0.016 4.303 4.320 -0.001 0.000 0.276 290 K C -0.020 176.587 176.600 0.013 0.000 0.963 290 K CA 0.235 56.526 56.287 0.008 0.000 0.975 290 K CB 0.407 32.918 32.500 0.020 0.000 0.901 290 K HN 0.112 nan 8.250 nan 0.000 0.506 291 S N 2.817 118.533 115.700 0.025 0.000 2.565 291 S HA 0.141 4.610 4.470 -0.001 0.000 0.290 291 S C 0.874 175.509 174.600 0.058 0.000 1.150 291 S CA -0.951 57.268 58.200 0.033 0.000 1.058 291 S CB 1.219 64.435 63.200 0.026 0.000 1.032 291 S HN 0.622 nan 8.310 nan 0.000 0.510 292 L N 5.260 126.523 121.223 0.066 0.000 2.042 292 L HA 0.099 4.438 4.340 -0.001 0.000 0.210 292 L C 2.483 179.414 176.870 0.101 0.000 1.076 292 L CA 2.661 57.559 54.840 0.097 0.000 0.749 292 L CB -1.522 40.596 42.059 0.097 0.000 0.893 292 L HN 0.903 nan 8.230 nan 0.000 0.432 293 A N -0.833 122.032 122.820 0.075 0.000 1.908 293 A HA -0.272 4.047 4.320 -0.001 0.000 0.218 293 A C 2.527 180.150 177.584 0.065 0.000 1.181 293 A CA 2.156 54.232 52.037 0.064 0.000 0.627 293 A CB -0.856 18.166 19.000 0.036 0.000 0.818 293 A HN 0.354 nan 8.150 nan 0.000 0.445 294 K N -0.808 119.628 120.400 0.059 0.000 2.063 294 K HA -0.099 4.221 4.320 -0.001 0.000 0.208 294 K C 2.031 178.682 176.600 0.086 0.000 1.048 294 K CA 1.657 57.979 56.287 0.059 0.000 0.928 294 K CB -0.963 31.568 32.500 0.051 0.000 0.713 294 K HN 0.381 nan 8.250 nan 0.000 0.442 295 V N 1.215 121.199 119.914 0.117 0.000 2.453 295 V HA -0.150 3.970 4.120 -0.001 0.000 0.247 295 V C 2.369 178.561 176.094 0.163 0.000 1.048 295 V CA 2.087 64.490 62.300 0.172 0.000 1.049 295 V CB -0.561 31.392 31.823 0.216 0.000 0.672 295 V HN 0.567 nan 8.190 nan 0.000 0.457 296 E N 0.014 120.307 120.200 0.155 0.000 2.110 296 E HA -0.274 4.075 4.350 -0.001 0.000 0.193 296 E C 2.226 178.896 176.600 0.117 0.000 0.988 296 E CA 1.287 57.794 56.400 0.177 0.000 0.804 296 E CB -0.117 29.719 29.700 0.226 0.000 0.745 296 E HN 0.434 nan 8.360 nan 0.000 0.458 297 K N 1.153 121.599 120.400 0.076 0.000 1.984 297 K HA -0.138 4.181 4.320 -0.001 0.000 0.209 297 K C 1.891 178.506 176.600 0.024 0.000 1.046 297 K CA 1.384 57.692 56.287 0.035 0.000 0.934 297 K CB -0.012 32.501 32.500 0.021 0.000 0.717 297 K HN 0.051 nan 8.250 nan 0.000 0.438 298 E N -0.009 120.215 120.200 0.040 0.000 2.204 298 E HA -0.137 4.212 4.350 -0.001 0.000 0.195 298 E C -0.231 176.347 176.600 -0.038 0.000 0.990 298 E CA 0.091 56.506 56.400 0.024 0.000 0.821 298 E CB -0.019 29.727 29.700 0.076 0.000 0.750 298 E HN 0.011 nan 8.360 nan 0.000 0.477 299 L N 2.010 123.207 121.223 -0.043 0.000 2.433 299 L HA 0.061 4.401 4.340 -0.001 0.000 0.275 299 L C 0.178 176.964 176.870 -0.141 0.000 1.128 299 L CA 0.569 55.305 54.840 -0.172 0.000 0.875 299 L CB 0.324 42.331 42.059 -0.088 0.000 1.171 299 L HN -0.037 nan 8.230 nan 0.000 0.463 300 T N 2.091 116.518 114.554 -0.212 0.000 2.926 300 T HA 0.576 4.925 4.350 -0.001 0.000 0.289 300 T C -2.097 172.498 174.700 -0.176 0.000 1.054 300 T CA -1.812 60.200 62.100 -0.146 0.000 1.015 300 T CB 1.546 70.343 68.868 -0.119 0.000 1.167 300 T HN 0.285 nan 8.240 nan 0.000 0.526 301 P HA -0.164 nan 4.420 nan 0.000 0.215 301 P C 1.620 178.829 177.300 -0.152 0.000 1.157 301 P CA 1.275 64.301 63.100 -0.124 0.000 0.874 301 P CB 0.079 31.726 31.700 -0.089 0.000 0.790 302 E N -0.489 119.631 120.200 -0.133 0.000 2.150 302 E HA -0.084 4.265 4.350 -0.001 0.000 0.193 302 E C 2.068 178.558 176.600 -0.184 0.000 0.985 302 E CA 1.051 57.379 56.400 -0.119 0.000 0.814 302 E CB -1.584 28.071 29.700 -0.075 0.000 0.752 302 E HN 0.115 nan 8.360 nan 0.000 0.466 303 V N 1.648 121.394 119.914 -0.280 0.000 2.358 303 V HA -0.218 3.901 4.120 -0.001 0.000 0.246 303 V C 2.496 178.112 176.094 -0.797 0.000 1.047 303 V CA 1.617 63.619 62.300 -0.497 0.000 1.035 303 V CB -0.592 30.889 31.823 -0.569 0.000 0.658 303 V HN 0.167 nan 8.190 nan 0.000 0.452 304 L N 0.054 120.898 121.223 -0.631 0.000 2.093 304 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 304 L C 2.404 179.122 176.870 -0.253 0.000 1.085 304 L CA 2.120 56.653 54.840 -0.512 0.000 0.755 304 L CB -0.741 41.099 42.059 -0.365 0.000 0.904 304 L HN 0.340 nan 8.230 nan 0.000 0.435 305 Q N 0.067 119.754 119.800 -0.187 0.000 2.084 305 Q HA -0.263 4.076 4.340 -0.001 0.000 0.202 305 Q C 2.221 178.218 176.000 -0.006 0.000 0.978 305 Q CA 2.219 57.978 55.803 -0.073 0.000 0.844 305 Q CB -0.299 28.409 28.738 -0.050 0.000 0.898 305 Q HN 0.709 nan 8.270 nan 0.000 0.426 306 E N -1.262 118.919 120.200 -0.031 0.000 2.031 306 E HA -0.192 4.157 4.350 -0.001 0.000 0.193 306 E C 1.408 178.123 176.600 0.191 0.000 0.994 306 E CA 1.298 57.735 56.400 0.061 0.000 0.800 306 E CB -0.275 29.453 29.700 0.046 0.000 0.752 306 E HN 0.474 nan 8.360 nan 0.000 0.447 307 W N 1.055 122.333 121.300 -0.036 0.000 2.321 307 W HA -0.171 4.489 4.660 -0.001 0.000 0.306 307 W C 2.256 178.742 176.519 -0.056 0.000 1.217 307 W CA 0.754 58.069 57.345 -0.051 0.000 1.257 307 W CB -1.016 28.405 29.460 -0.064 0.000 1.145 307 W HN 0.211 nan 8.180 nan 0.000 0.509 308 L N -0.425 120.905 121.223 0.179 0.000 2.141 308 L HA -0.168 4.171 4.340 -0.001 0.000 0.209 308 L C 1.979 178.893 176.870 0.074 0.000 1.094 308 L CA 1.217 56.107 54.840 0.084 0.000 0.763 308 L CB -0.812 41.264 42.059 0.028 0.000 0.908 308 L HN -0.144 nan 8.230 nan 0.000 0.437 309 D N 0.288 120.738 120.400 0.084 0.000 2.219 309 D HA -0.138 4.502 4.640 -0.001 0.000 0.205 309 D C 1.622 177.955 176.300 0.054 0.000 0.970 309 D CA 0.994 55.034 54.000 0.066 0.000 0.851 309 D CB 0.050 40.891 40.800 0.069 0.000 0.943 309 D HN 0.483 nan 8.370 nan 0.000 0.488 310 E N 0.092 120.331 120.200 0.065 0.000 2.479 310 E HA 0.101 4.450 4.350 -0.001 0.000 0.193 310 E C 0.385 176.996 176.600 0.019 0.000 1.049 310 E CA -0.212 56.212 56.400 0.041 0.000 0.870 310 E CB 0.429 30.155 29.700 0.044 0.000 0.944 310 E HN 0.225 nan 8.360 nan 0.000 0.492 311 L N 2.492 123.730 121.223 0.025 0.000 2.562 311 L HA 0.047 4.387 4.340 -0.001 0.000 0.271 311 L C 0.147 177.036 176.870 0.031 0.000 1.167 311 L CA 0.296 55.146 54.840 0.016 0.000 0.917 311 L CB 0.093 42.169 42.059 0.028 0.000 1.187 311 L HN -0.016 nan 8.230 nan 0.000 0.482 312 E N 3.036 123.261 120.200 0.042 0.000 2.187 312 E HA 0.181 4.530 4.350 -0.001 0.000 0.268 312 E C -0.494 176.148 176.600 0.071 0.000 0.896 312 E CA -0.597 55.833 56.400 0.049 0.000 0.766 312 E CB 1.365 31.091 29.700 0.045 0.000 1.142 312 E HN 0.390 nan 8.360 nan 0.000 0.408 313 E N 3.083 123.308 120.200 0.041 0.000 2.502 313 E HA 0.145 4.495 4.350 -0.001 0.000 0.261 313 E C -0.788 175.828 176.600 0.026 0.000 0.974 313 E CA 0.424 56.840 56.400 0.026 0.000 0.936 313 E CB 0.451 30.143 29.700 -0.013 0.000 0.926 313 E HN 0.433 nan 8.360 nan 0.000 0.459 314 M N 3.814 123.424 119.600 0.017 0.000 2.562 314 M HA 0.269 4.748 4.480 -0.001 0.000 0.281 314 M C -1.554 174.711 176.300 -0.059 0.000 1.195 314 M CA -0.488 54.807 55.300 -0.007 0.000 0.888 314 M CB 1.969 34.591 32.600 0.037 0.000 1.731 314 M HN 0.446 nan 8.290 nan 0.000 0.493 315 M N 5.149 124.700 119.600 -0.083 0.000 2.108 315 M HA 0.600 5.079 4.480 -0.001 0.000 0.354 315 M C -1.343 174.895 176.300 -0.104 0.000 1.229 315 M CA -0.277 54.961 55.300 -0.104 0.000 1.081 315 M CB 0.079 32.622 32.600 -0.095 0.000 1.606 315 M HN 0.738 nan 8.290 nan 0.000 0.467 316 L N 2.382 123.556 121.223 -0.082 0.000 2.491 316 L HA 0.740 5.080 4.340 -0.001 0.000 0.254 316 L C -0.886 175.952 176.870 -0.054 0.000 1.048 316 L CA -1.140 53.637 54.840 -0.104 0.000 0.855 316 L CB 1.863 43.776 42.059 -0.244 0.000 1.466 316 L HN 0.654 nan 8.230 nan 0.000 0.409 317 c N 1.783 120.363 118.600 -0.034 0.000 2.285 317 c HA 0.822 5.391 4.570 -0.001 0.000 0.335 317 c C -0.013 174.081 174.090 0.008 0.000 1.267 317 c CA -0.252 56.079 56.329 0.002 0.000 1.762 317 c CB 0.073 42.652 42.510 0.114 0.000 2.365 317 c HN 0.563 nan 8.230 nan 0.000 0.527 318 V N 7.789 127.638 119.914 -0.108 0.000 2.409 318 V HA 0.468 4.587 4.120 -0.001 0.000 0.291 318 V C -0.304 175.794 176.094 0.007 0.000 1.020 318 V CA -0.277 62.000 62.300 -0.039 0.000 0.848 318 V CB 1.194 32.879 31.823 -0.230 0.000 0.990 318 V HN 0.855 nan 8.190 nan 0.000 0.430 319 H N 5.839 125.085 119.070 0.293 0.000 2.511 319 H HA 0.573 5.128 4.556 -0.001 0.000 0.328 319 H C -0.678 174.743 175.328 0.156 0.000 1.044 319 H CA -0.336 55.865 56.048 0.255 0.000 1.212 319 H CB 1.934 31.813 29.762 0.196 0.000 1.428 319 H HN 0.465 nan 8.280 nan 0.000 0.483 320 M N 5.633 125.314 119.600 0.135 0.000 2.213 320 M HA 0.257 4.736 4.480 -0.001 0.000 0.286 320 M C -2.810 173.512 176.300 0.037 0.000 1.008 320 M CA -1.753 53.562 55.300 0.024 0.000 0.937 320 M CB 3.178 35.692 32.600 -0.144 0.000 1.600 320 M HN 0.267 nan 8.290 nan 0.000 0.450 321 P HA 0.116 nan 4.420 nan 0.000 0.271 321 P C -1.258 176.199 177.300 0.262 0.000 1.216 321 P CA -0.157 63.076 63.100 0.222 0.000 0.776 321 P CB 0.720 32.602 31.700 0.303 0.000 0.881 322 R N 3.229 123.799 120.500 0.116 0.000 2.389 322 R HA 0.436 4.775 4.340 -0.001 0.000 0.295 322 R C -0.392 175.979 176.300 0.119 0.000 1.075 322 R CA -0.154 55.961 56.100 0.025 0.000 1.005 322 R CB -0.038 30.243 30.300 -0.032 0.000 0.987 322 R HN 0.529 nan 8.270 nan 0.000 0.452 323 F N 0.531 120.465 119.950 -0.028 0.000 2.662 323 F HA 0.581 5.107 4.527 -0.001 0.000 0.312 323 F C -1.391 174.337 175.800 -0.120 0.000 1.113 323 F CA -1.352 56.604 58.000 -0.073 0.000 0.951 323 F CB 1.366 40.324 39.000 -0.071 0.000 1.344 323 F HN 0.376 nan 8.300 nan 0.000 0.462 324 R N 2.106 122.643 120.500 0.061 0.000 2.533 324 R HA 0.790 5.129 4.340 -0.001 0.000 0.288 324 R C -2.067 174.235 176.300 0.003 0.000 1.039 324 R CA -0.741 55.309 56.100 -0.083 0.000 0.909 324 R CB 2.129 32.407 30.300 -0.036 0.000 1.195 324 R HN 1.025 nan 8.270 nan 0.000 0.438 325 I N -0.400 120.101 120.570 -0.115 0.000 2.582 325 I HA 0.645 4.814 4.170 -0.001 0.000 0.292 325 I C -0.925 175.201 176.117 0.014 0.000 1.066 325 I CA -0.780 60.498 61.300 -0.036 0.000 1.053 325 I CB 1.571 39.551 38.000 -0.033 0.000 1.241 325 I HN 0.869 nan 8.210 nan 0.000 0.421 326 E N 2.009 122.305 120.200 0.160 0.000 2.302 326 E HA 0.480 4.829 4.350 -0.001 0.000 0.263 326 E C -1.936 174.770 176.600 0.176 0.000 0.897 326 E CA -0.370 56.190 56.400 0.267 0.000 0.809 326 E CB 1.667 31.547 29.700 0.301 0.000 1.270 326 E HN 0.880 nan 8.360 nan 0.000 0.410 327 D N 2.156 122.680 120.400 0.206 0.000 2.278 327 D HA 0.450 5.089 4.640 -0.001 0.000 0.245 327 D C -0.613 175.626 176.300 -0.103 0.000 1.052 327 D CA -0.156 53.838 54.000 -0.011 0.000 0.834 327 D CB 1.833 42.627 40.800 -0.010 0.000 1.194 327 D HN 0.430 nan 8.370 nan 0.000 0.481 328 G N 1.826 110.485 108.800 -0.235 0.000 2.384 328 G HA2 0.497 4.457 3.960 -0.001 0.000 0.316 328 G HA3 0.497 4.457 3.960 -0.001 0.000 0.316 328 G C -0.979 173.810 174.900 -0.186 0.000 1.160 328 G CA -0.379 44.664 45.100 -0.095 0.000 0.936 328 G HN 0.236 nan 8.290 nan 0.000 0.455 329 F N 1.116 121.236 119.950 0.282 0.000 2.469 329 F HA 0.591 5.118 4.527 -0.001 0.000 0.332 329 F C 0.657 176.646 175.800 0.315 0.000 1.103 329 F CA -0.843 57.348 58.000 0.319 0.000 0.979 329 F CB 2.792 42.043 39.000 0.418 0.000 1.137 329 F HN 0.351 nan 8.300 nan 0.000 0.463 330 S N 4.365 120.314 115.700 0.415 0.000 2.622 330 S HA 0.356 4.825 4.470 -0.001 0.000 0.283 330 S C 0.826 175.498 174.600 0.120 0.000 1.197 330 S CA -0.659 57.591 58.200 0.083 0.000 1.146 330 S CB 0.026 63.268 63.200 0.070 0.000 1.007 330 S HN 0.514 nan 8.310 nan 0.000 0.478 331 L N 4.652 125.955 121.223 0.134 0.000 2.017 331 L HA -0.023 4.316 4.340 -0.001 0.000 0.208 331 L C 2.542 179.435 176.870 0.040 0.000 1.073 331 L CA 1.662 56.621 54.840 0.199 0.000 0.745 331 L CB -1.503 40.741 42.059 0.308 0.000 0.894 331 L HN 0.713 nan 8.230 nan 0.000 0.432 332 K N 0.221 120.515 120.400 -0.176 0.000 2.067 332 K HA -0.389 3.930 4.320 -0.001 0.000 0.226 332 K C 2.015 178.308 176.600 -0.512 0.000 1.046 332 K CA 3.413 59.220 56.287 -0.800 0.000 0.967 332 K CB -0.152 31.811 32.500 -0.895 0.000 0.749 332 K HN 0.396 nan 8.250 nan 0.000 0.456 333 E N 0.893 120.927 120.200 -0.278 0.000 2.013 333 E HA -0.322 4.028 4.350 -0.001 0.000 0.202 333 E C 1.889 178.414 176.600 -0.125 0.000 1.018 333 E CA 2.024 58.326 56.400 -0.163 0.000 0.834 333 E CB -1.032 28.616 29.700 -0.086 0.000 0.770 333 E HN 0.693 nan 8.360 nan 0.000 0.459 334 Q N -0.410 119.330 119.800 -0.100 0.000 2.112 334 Q HA -0.136 4.203 4.340 -0.001 0.000 0.206 334 Q C 2.508 178.388 176.000 -0.200 0.000 0.987 334 Q CA 1.637 57.312 55.803 -0.213 0.000 0.858 334 Q CB -0.282 28.305 28.738 -0.252 0.000 0.905 334 Q HN 0.634 nan 8.270 nan 0.000 0.420 335 L N 0.525 121.737 121.223 -0.019 0.000 2.042 335 L HA -0.258 4.081 4.340 -0.001 0.000 0.210 335 L C 2.768 179.676 176.870 0.064 0.000 1.076 335 L CA 1.934 56.799 54.840 0.042 0.000 0.749 335 L CB -0.609 41.550 42.059 0.168 0.000 0.893 335 L HN 0.490 nan 8.230 nan 0.000 0.432 336 Q N -1.092 118.782 119.800 0.125 0.000 2.245 336 Q HA -0.212 4.127 4.340 -0.001 0.000 0.201 336 Q C 1.560 177.562 176.000 0.003 0.000 0.955 336 Q CA 1.334 57.225 55.803 0.146 0.000 0.870 336 Q CB -0.416 28.434 28.738 0.186 0.000 0.945 336 Q HN 0.409 nan 8.270 nan 0.000 0.461 337 D N 0.798 121.151 120.400 -0.078 0.000 2.310 337 D HA -0.077 4.562 4.640 -0.001 0.000 0.212 337 D C 1.474 177.680 176.300 -0.157 0.000 0.965 337 D CA 0.747 54.679 54.000 -0.113 0.000 0.879 337 D CB 0.095 40.792 40.800 -0.171 0.000 0.921 337 D HN 0.340 nan 8.370 nan 0.000 0.510 338 M N -1.485 117.995 119.600 -0.200 0.000 2.441 338 M HA 0.176 4.655 4.480 -0.001 0.000 0.244 338 M C 1.264 177.503 176.300 -0.101 0.000 1.122 338 M CA 0.632 55.820 55.300 -0.186 0.000 1.041 338 M CB 1.235 33.690 32.600 -0.242 0.000 1.438 338 M HN 0.174 nan 8.290 nan 0.000 0.484 339 G N 0.608 109.371 108.800 -0.063 0.000 2.260 339 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.179 339 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.179 339 G C -0.283 174.596 174.900 -0.034 0.000 1.002 339 G CA -0.666 44.409 45.100 -0.043 0.000 0.677 339 G HN 0.239 nan 8.290 nan 0.000 0.486 340 L N 2.796 124.003 121.223 -0.027 0.000 2.375 340 L HA 0.644 4.984 4.340 -0.001 0.000 0.276 340 L C 1.373 178.286 176.870 0.073 0.000 1.162 340 L CA 0.172 54.994 54.840 -0.029 0.000 0.991 340 L CB 0.956 42.972 42.059 -0.071 0.000 1.315 340 L HN 0.017 nan 8.230 nan 0.000 0.431 341 V N 1.950 121.892 119.914 0.047 0.000 2.788 341 V HA -0.003 4.116 4.120 -0.001 0.000 0.241 341 V C 1.517 177.658 176.094 0.078 0.000 1.083 341 V CA 0.785 63.153 62.300 0.113 0.000 1.103 341 V CB -0.019 31.844 31.823 0.067 0.000 0.800 341 V HN 0.577 nan 8.190 nan 0.000 0.476 342 D N 0.627 121.029 120.400 0.003 0.000 2.084 342 D HA -0.183 4.457 4.640 -0.001 0.000 0.194 342 D C 1.940 178.225 176.300 -0.026 0.000 0.990 342 D CA 1.284 55.280 54.000 -0.007 0.000 0.826 342 D CB -0.419 40.370 40.800 -0.018 0.000 0.971 342 D HN 0.238 nan 8.370 nan 0.000 0.453 343 L N -0.153 120.990 121.223 -0.135 0.000 2.103 343 L HA -0.214 4.125 4.340 -0.001 0.000 0.215 343 L C 1.525 178.327 176.870 -0.112 0.000 1.080 343 L CA 1.666 56.387 54.840 -0.199 0.000 0.764 343 L CB -0.478 41.350 42.059 -0.385 0.000 0.890 343 L HN 0.001 nan 8.230 nan 0.000 0.435 344 F N -1.628 118.419 119.950 0.162 0.000 2.789 344 F HA 0.239 4.765 4.527 -0.001 0.000 0.300 344 F C 1.582 177.494 175.800 0.187 0.000 1.132 344 F CA 0.166 58.290 58.000 0.208 0.000 1.404 344 F CB -0.824 38.257 39.000 0.134 0.000 1.114 344 F HN 0.002 nan 8.300 nan 0.000 0.584 345 S N 1.452 117.270 115.700 0.197 0.000 2.465 345 S HA 0.214 4.683 4.470 -0.001 0.000 0.279 345 S C -1.687 172.774 174.600 -0.233 0.000 1.201 345 S CA -1.406 56.790 58.200 -0.006 0.000 1.053 345 S CB 1.048 64.248 63.200 0.001 0.000 0.953 345 S HN -0.138 nan 8.310 nan 0.000 0.488 346 P HA 0.016 nan 4.420 nan 0.000 0.223 346 P C 0.368 177.465 177.300 -0.338 0.000 1.151 346 P CA 0.828 63.333 63.100 -0.991 0.000 0.787 346 P CB 0.289 31.365 31.700 -1.040 0.000 0.788 347 E N -0.377 119.698 120.200 -0.207 0.000 2.057 347 E HA 0.025 4.374 4.350 -0.001 0.000 0.191 347 E C 1.701 178.267 176.600 -0.056 0.000 0.959 347 E CA 0.866 57.205 56.400 -0.101 0.000 0.828 347 E CB -0.577 29.076 29.700 -0.078 0.000 0.800 347 E HN 0.119 nan 8.360 nan 0.000 0.460 348 K N 0.995 121.369 120.400 -0.044 0.000 2.362 348 K HA 0.090 4.409 4.320 -0.001 0.000 0.200 348 K C 0.993 177.589 176.600 -0.007 0.000 1.046 348 K CA 0.255 56.530 56.287 -0.019 0.000 0.952 348 K CB -0.003 32.490 32.500 -0.010 0.000 0.753 348 K HN -0.058 nan 8.250 nan 0.000 0.466 349 S N 1.344 117.044 115.700 -0.000 0.000 2.566 349 S HA 0.023 4.492 4.470 -0.001 0.000 0.280 349 S C -0.311 174.303 174.600 0.023 0.000 1.343 349 S CA 0.175 58.392 58.200 0.028 0.000 1.036 349 S CB 0.344 63.606 63.200 0.105 0.000 0.866 349 S HN 0.157 nan 8.310 nan 0.000 0.526 350 K N 3.415 123.823 120.400 0.014 0.000 2.793 350 K HA 0.259 4.578 4.320 -0.001 0.000 0.269 350 K C -1.519 175.075 176.600 -0.009 0.000 1.124 350 K CA -0.356 55.935 56.287 0.005 0.000 1.074 350 K CB 0.904 33.407 32.500 0.004 0.000 1.322 350 K HN 0.365 nan 8.250 nan 0.000 0.532 351 L N 3.995 125.206 121.223 -0.020 0.000 2.935 351 L HA 0.219 4.558 4.340 -0.001 0.000 0.243 351 L C -1.447 175.381 176.870 -0.070 0.000 1.313 351 L CA -1.632 53.172 54.840 -0.060 0.000 0.969 351 L CB 0.095 42.100 42.059 -0.089 0.000 1.320 351 L HN 0.305 nan 8.230 nan 0.000 0.511 352 P HA -0.143 nan 4.420 nan 0.000 0.218 352 P C 1.450 178.717 177.300 -0.054 0.000 1.148 352 P CA 1.264 64.341 63.100 -0.039 0.000 0.822 352 P CB 0.476 32.166 31.700 -0.017 0.000 0.784 353 G N -0.259 108.501 108.800 -0.067 0.000 2.484 353 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.218 353 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.218 353 G C 1.349 176.148 174.900 -0.168 0.000 1.130 353 G CA 0.266 45.329 45.100 -0.061 0.000 0.784 353 G HN 0.217 nan 8.290 nan 0.000 0.543 354 I N 0.683 121.057 120.570 -0.327 0.000 3.030 354 I HA 0.103 4.272 4.170 -0.001 0.000 0.270 354 I C 1.031 177.093 176.117 -0.092 0.000 1.211 354 I CA 0.147 61.156 61.300 -0.485 0.000 1.479 354 I CB 0.174 37.834 38.000 -0.566 0.000 1.105 354 I HN 0.037 nan 8.210 nan 0.000 0.447 355 V N -1.158 118.708 119.914 -0.080 0.000 2.716 355 V HA 0.886 5.005 4.120 -0.001 0.000 0.304 355 V C 0.231 176.277 176.094 -0.080 0.000 1.053 355 V CA -1.098 61.146 62.300 -0.094 0.000 0.984 355 V CB 1.021 32.781 31.823 -0.105 0.000 1.021 355 V HN 0.059 nan 8.190 nan 0.000 0.467 362 L N 2.585 123.888 121.223 0.134 0.000 2.287 362 L HA 0.871 5.210 4.340 -0.001 0.000 0.287 362 L C -0.780 176.210 176.870 0.200 0.000 1.022 362 L CA -0.751 54.170 54.840 0.136 0.000 0.814 362 L CB 0.741 42.828 42.059 0.047 0.000 1.217 362 L HN 0.629 nan 8.230 nan 0.000 0.420 363 Y N 2.863 123.174 120.300 0.019 0.000 2.677 363 Y HA 0.775 5.324 4.550 -0.001 0.000 0.334 363 Y C -1.262 174.662 175.900 0.039 0.000 1.154 363 Y CA -1.743 56.367 58.100 0.017 0.000 1.070 363 Y CB 0.724 39.204 38.460 0.034 0.000 1.294 363 Y HN 0.139 nan 8.280 nan 0.000 0.475 364 V N 2.407 122.323 119.914 0.005 0.000 2.432 364 V HA 0.192 4.311 4.120 -0.001 0.000 0.275 364 V C 0.475 176.607 176.094 0.063 0.000 1.043 364 V CA 0.256 62.549 62.300 -0.012 0.000 0.925 364 V CB 0.762 32.654 31.823 0.115 0.000 0.985 364 V HN 1.030 nan 8.190 nan 0.000 0.466 365 S N 2.716 118.330 115.700 -0.144 0.000 2.345 365 S HA -0.003 4.466 4.470 -0.001 0.000 0.219 365 S C 0.509 175.139 174.600 0.051 0.000 1.031 365 S CA 0.925 59.090 58.200 -0.060 0.000 0.984 365 S CB 0.002 63.092 63.200 -0.184 0.000 0.874 365 S HN 0.913 nan 8.310 nan 0.000 0.451 366 D N -1.445 118.967 120.400 0.019 0.000 2.623 366 D HA 0.586 5.226 4.640 -0.001 0.000 0.241 366 D C -1.867 174.344 176.300 -0.147 0.000 1.241 366 D CA -0.382 53.541 54.000 -0.127 0.000 0.788 366 D CB 1.938 42.591 40.800 -0.246 0.000 1.413 366 D HN 0.174 nan 8.370 nan 0.000 0.429 367 A N 1.848 124.505 122.820 -0.272 0.000 2.319 367 A HA 0.687 5.007 4.320 -0.001 0.000 0.310 367 A C -1.409 175.998 177.584 -0.294 0.000 1.152 367 A CA -0.506 51.484 52.037 -0.078 0.000 0.783 367 A CB 0.241 19.441 19.000 0.335 0.000 1.184 367 A HN 0.285 nan 8.150 nan 0.000 0.474 368 F N 1.387 121.489 119.950 0.253 0.000 2.458 368 F HA 0.538 5.064 4.527 -0.001 0.000 0.336 368 F C 0.291 176.303 175.800 0.353 0.000 1.114 368 F CA -0.106 58.061 58.000 0.277 0.000 0.987 368 F CB 1.895 41.012 39.000 0.195 0.000 1.130 368 F HN 0.748 nan 8.300 nan 0.000 0.458 369 H N 2.180 121.536 119.070 0.476 0.000 2.600 369 H HA 0.650 5.205 4.556 -0.001 0.000 0.357 369 H C -1.465 174.157 175.328 0.491 0.000 1.106 369 H CA -0.974 55.338 56.048 0.439 0.000 1.193 369 H CB 1.624 31.615 29.762 0.382 0.000 1.594 369 H HN 0.492 nan 8.280 nan 0.000 0.526 370 K N 2.997 123.250 120.400 -0.244 0.000 2.468 370 K HA 0.807 5.126 4.320 -0.001 0.000 0.252 370 K C -1.853 174.676 176.600 -0.118 0.000 0.932 370 K CA -0.400 55.851 56.287 -0.060 0.000 0.794 370 K CB 1.768 34.311 32.500 0.071 0.000 1.241 370 K HN 0.705 nan 8.250 nan 0.000 0.428 371 A N 3.062 125.983 122.820 0.167 0.000 2.435 371 A HA 0.847 5.166 4.320 -0.001 0.000 0.304 371 A C -1.868 176.085 177.584 0.615 0.000 1.064 371 A CA -0.623 51.674 52.037 0.434 0.000 0.727 371 A CB 0.826 20.121 19.000 0.491 0.000 1.284 371 A HN 0.614 nan 8.150 nan 0.000 0.415 372 F N 1.644 121.855 119.950 0.436 0.000 2.574 372 F HA 0.700 5.226 4.527 -0.001 0.000 0.313 372 F C -1.947 173.789 175.800 -0.107 0.000 1.130 372 F CA -1.053 57.049 58.000 0.169 0.000 0.936 372 F CB 1.886 40.960 39.000 0.125 0.000 1.219 372 F HN 0.555 nan 8.300 nan 0.000 0.445 373 L N 5.374 125.789 121.223 -1.345 0.000 2.438 373 L HA 0.573 4.912 4.340 -0.001 0.000 0.270 373 L C -1.565 174.590 176.870 -1.193 0.000 0.972 373 L CA -0.152 53.900 54.840 -1.315 0.000 0.831 373 L CB 2.018 43.161 42.059 -1.526 0.000 1.273 373 L HN 0.737 nan 8.230 nan 0.000 0.405 374 E N 3.490 123.105 120.200 -0.976 0.000 2.218 374 E HA 0.668 5.018 4.350 -0.001 0.000 0.263 374 E C -1.827 174.430 176.600 -0.571 0.000 0.879 374 E CA -0.638 55.372 56.400 -0.649 0.000 0.762 374 E CB 2.040 31.527 29.700 -0.354 0.000 1.166 374 E HN 0.483 nan 8.360 nan 0.000 0.415 375 V N 4.977 124.473 119.914 -0.698 0.000 2.444 375 V HA 0.404 4.523 4.120 -0.001 0.000 0.294 375 V C -0.396 175.499 176.094 -0.332 0.000 1.022 375 V CA -0.692 61.263 62.300 -0.575 0.000 0.850 375 V CB 1.388 32.661 31.823 -0.917 0.000 0.992 375 V HN 0.811 nan 8.190 nan 0.000 0.426 376 N N 2.586 121.214 118.700 -0.120 0.000 3.283 376 N HA 0.439 5.178 4.740 -0.001 0.000 0.338 376 N C 0.363 175.986 175.510 0.188 0.000 1.517 376 N CA -0.854 52.186 53.050 -0.017 0.000 0.733 376 N CB 0.953 39.420 38.487 -0.034 0.000 1.797 376 N HN 0.225 nan 8.380 nan 0.000 0.637 377 E N -1.013 119.294 120.200 0.178 0.000 2.204 377 E HA -0.077 4.272 4.350 -0.001 0.000 0.194 377 E C 0.986 177.892 176.600 0.510 0.000 0.989 377 E CA 1.222 57.843 56.400 0.369 0.000 0.824 377 E CB -0.064 29.788 29.700 0.253 0.000 0.756 377 E HN 0.556 nan 8.360 nan 0.000 0.477 378 E N -0.769 119.601 120.200 0.282 0.000 2.318 378 E HA 0.334 4.684 4.350 -0.001 0.000 0.193 378 E C 0.972 177.612 176.600 0.067 0.000 0.998 378 E CA 0.462 56.985 56.400 0.205 0.000 0.859 378 E CB 0.448 30.196 29.700 0.079 0.000 0.812 378 E HN 0.444 nan 8.360 nan 0.000 0.492 379 G N 0.311 108.975 108.800 -0.226 0.000 2.347 379 G HA2 0.097 4.056 3.960 -0.001 0.000 0.224 379 G HA3 0.097 4.056 3.960 -0.001 0.000 0.224 379 G C -0.848 173.672 174.900 -0.634 0.000 1.318 379 G CA -0.217 44.286 45.100 -0.994 0.000 1.016 379 G HN 0.498 nan 8.290 nan 0.000 0.469 380 S N 0.536 115.937 115.700 -0.499 0.000 2.448 380 S HA 0.676 5.145 4.470 -0.001 0.000 0.320 380 S C 0.065 174.413 174.600 -0.419 0.000 1.071 380 S CA 1.833 59.791 58.200 -0.404 0.000 1.113 380 S CB 0.086 63.100 63.200 -0.310 0.000 0.972 380 S HN 2.657 nan 8.310 nan 0.000 0.465 381 E N 0.943 120.962 120.200 -0.302 0.000 7.393 381 E HA 0.434 4.783 4.350 -0.001 0.000 0.240 381 E C 0.262 176.764 176.600 -0.163 0.000 0.908 381 E CA 0.415 56.697 56.400 -0.196 0.000 1.573 381 E CB -2.189 27.347 29.700 -0.273 0.000 0.911 381 E HN 2.713 nan 8.360 nan 0.000 0.268 382 A N -0.312 122.456 122.820 -0.087 0.000 2.517 382 A HA 0.916 5.236 4.320 -0.001 0.000 0.424 382 A C 0.407 177.968 177.584 -0.038 0.000 0.763 382 A CA 0.862 52.864 52.037 -0.057 0.000 0.468 382 A CB -1.156 17.801 19.000 -0.072 0.000 2.184 382 A HN 2.599 nan 8.150 nan 0.000 0.527 383 A N -1.509 121.302 122.820 -0.014 0.000 2.554 383 A HA 0.726 5.045 4.320 -0.001 0.000 0.203 383 A C 0.502 178.096 177.584 0.016 0.000 1.559 383 A CA 1.009 53.047 52.037 0.002 0.000 1.389 383 A CB -0.920 18.079 19.000 -0.000 0.000 1.071 383 A HN 2.591 nan 8.150 nan 0.000 0.521 384 A N 1.154 123.984 122.820 0.017 0.000 2.785 384 A HA 0.534 4.853 4.320 -0.001 0.000 0.294 384 A C 0.879 178.485 177.584 0.037 0.000 1.597 384 A CA 0.801 52.852 52.037 0.023 0.000 1.283 384 A CB -0.863 18.148 19.000 0.019 0.000 1.088 384 A HN 1.574 nan 8.150 nan 0.000 0.568 385 S N 2.322 118.044 115.700 0.038 0.000 2.631 385 S HA 0.123 4.592 4.470 -0.001 0.000 0.311 385 S C 0.351 174.980 174.600 0.049 0.000 1.254 385 S CA 1.095 59.323 58.200 0.047 0.000 1.039 385 S CB -0.071 63.152 63.200 0.038 0.000 0.753 385 S HN 0.838 nan 8.310 nan 0.000 0.494 386 T N 3.659 118.249 114.554 0.060 0.000 3.172 386 T HA 0.609 4.958 4.350 -0.001 0.000 0.320 386 T C -0.431 174.304 174.700 0.058 0.000 1.085 386 T CA -0.014 62.119 62.100 0.055 0.000 1.052 386 T CB 1.420 70.326 68.868 0.063 0.000 1.107 386 T HN 0.975 nan 8.240 nan 0.000 0.458 387 A N 2.451 125.298 122.820 0.044 0.000 2.252 387 A HA 0.907 5.226 4.320 -0.001 0.000 0.305 387 A C -0.562 177.041 177.584 0.032 0.000 1.097 387 A CA -0.532 51.530 52.037 0.042 0.000 0.849 387 A CB 0.756 19.776 19.000 0.035 0.000 1.142 387 A HN 0.670 nan 8.150 nan 0.000 0.499 388 V N 0.892 120.822 119.914 0.027 0.000 2.525 388 V HA 0.420 4.540 4.120 -0.001 0.000 0.299 388 V C -0.816 175.280 176.094 0.003 0.000 1.034 388 V CA -0.456 61.848 62.300 0.007 0.000 0.863 388 V CB 1.591 33.409 31.823 -0.008 0.000 0.999 388 V HN 0.623 nan 8.190 nan 0.000 0.423 389 V N 6.400 126.311 119.914 -0.004 0.000 2.357 389 V HA 0.513 4.632 4.120 -0.001 0.000 0.284 389 V C -0.228 175.856 176.094 -0.016 0.000 1.018 389 V CA -0.296 62.001 62.300 -0.004 0.000 0.841 389 V CB 1.596 33.419 31.823 -0.000 0.000 0.991 389 V HN 0.727 nan 8.190 nan 0.000 0.437 390 I N 4.820 125.380 120.570 -0.017 0.000 2.412 390 I HA 0.585 4.754 4.170 -0.001 0.000 0.279 390 I C 0.611 176.717 176.117 -0.019 0.000 1.063 390 I CA -0.264 61.019 61.300 -0.028 0.000 1.193 390 I CB 1.244 39.220 38.000 -0.040 0.000 1.370 390 I HN 0.642 nan 8.210 nan 0.000 0.479 391 A N 4.135 126.945 122.820 -0.018 0.000 2.327 391 A HA 0.662 4.981 4.320 -0.001 0.000 0.283 391 A C 1.051 178.626 177.584 -0.017 0.000 1.127 391 A CA 0.144 52.173 52.037 -0.013 0.000 0.810 391 A CB 0.503 19.497 19.000 -0.010 0.000 1.066 391 A HN 1.080 nan 8.150 nan 0.000 0.492 392 G N 0.945 109.738 108.800 -0.013 0.000 2.333 392 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.296 392 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.296 392 G C 0.067 174.956 174.900 -0.019 0.000 1.059 392 G CA 0.739 45.830 45.100 -0.014 0.000 1.050 392 G HN 1.163 nan 8.290 nan 0.000 0.508 393 R N -0.538 119.951 120.500 -0.018 0.000 2.561 393 R HA 0.676 5.015 4.340 -0.001 0.000 0.297 393 R C -1.029 175.263 176.300 -0.014 0.000 0.969 393 R CA -0.549 55.537 56.100 -0.023 0.000 0.879 393 R CB 1.601 31.882 30.300 -0.032 0.000 1.178 393 R HN 0.142 nan 8.270 nan 0.000 0.445 394 S N 5.064 120.754 115.700 -0.016 0.000 2.756 394 S HA 0.441 4.910 4.470 -0.001 0.000 0.303 394 S C -0.716 173.877 174.600 -0.012 0.000 1.135 394 S CA -0.637 57.557 58.200 -0.009 0.000 1.066 394 S CB 0.718 63.913 63.200 -0.008 0.000 1.008 394 S HN 0.490 nan 8.310 nan 0.000 0.482 395 L N 3.080 124.300 121.223 -0.006 0.000 2.375 395 L HA 0.506 4.845 4.340 -0.001 0.000 0.268 395 L C 0.865 177.733 176.870 -0.003 0.000 1.058 395 L CA -1.015 53.820 54.840 -0.009 0.000 0.803 395 L CB 0.594 42.651 42.059 -0.003 0.000 1.212 395 L HN 0.515 nan 8.230 nan 0.000 0.451 396 N N 3.273 121.968 118.700 -0.008 0.000 2.447 396 N HA 0.012 4.751 4.740 -0.001 0.000 0.263 396 N C -1.674 173.838 175.510 0.004 0.000 1.226 396 N CA -0.956 52.092 53.050 -0.004 0.000 0.906 396 N CB 1.246 39.728 38.487 -0.008 0.000 1.060 396 N HN 0.368 nan 8.380 nan 0.000 0.468 397 P HA -0.040 nan 4.420 nan 0.000 0.239 397 P C 0.003 177.311 177.300 0.012 0.000 1.184 397 P CA 0.885 63.992 63.100 0.011 0.000 0.760 397 P CB 0.484 32.189 31.700 0.008 0.000 0.884 398 N N -0.162 118.543 118.700 0.008 0.000 2.227 398 N HA 0.030 4.769 4.740 -0.001 0.000 0.196 398 N C 0.774 176.287 175.510 0.005 0.000 1.142 398 N CA -0.132 52.922 53.050 0.007 0.000 0.887 398 N CB 0.149 38.639 38.487 0.004 0.000 1.022 398 N HN 0.321 nan 8.380 nan 0.000 0.500 399 R N 1.053 121.554 120.500 0.001 0.000 2.545 399 R HA -0.030 4.309 4.340 -0.001 0.000 0.269 399 R C -0.122 176.172 176.300 -0.010 0.000 0.970 399 R CA 0.169 56.262 56.100 -0.011 0.000 1.096 399 R CB 0.086 30.380 30.300 -0.011 0.000 0.889 399 R HN -0.293 nan 8.270 nan 0.000 0.422 400 V N 3.551 123.441 119.914 -0.041 0.000 2.572 400 V HA 0.020 4.140 4.120 -0.001 0.000 0.291 400 V C 0.649 176.715 176.094 -0.046 0.000 1.039 400 V CA -0.303 61.965 62.300 -0.053 0.000 1.055 400 V CB 0.825 32.571 31.823 -0.129 0.000 0.969 400 V HN 0.856 nan 8.190 nan 0.000 0.482 401 c N 6.007 124.623 118.600 0.026 0.000 2.454 401 c HA 0.694 5.264 4.570 -0.001 0.000 0.336 401 c C -0.397 173.789 174.090 0.160 0.000 1.189 401 c CA -0.829 55.559 56.329 0.098 0.000 1.877 401 c CB 1.108 43.716 42.510 0.163 0.000 2.348 401 c HN 0.818 nan 8.230 nan 0.000 0.508 402 F N 3.634 123.605 119.950 0.035 0.000 2.552 402 F HA 0.432 4.958 4.527 -0.001 0.000 0.369 402 F C -0.309 175.548 175.800 0.095 0.000 1.112 402 F CA -0.354 57.675 58.000 0.048 0.000 1.129 402 F CB 0.469 39.471 39.000 0.003 0.000 1.360 402 F HN 0.437 nan 8.300 nan 0.000 0.473 403 K N 3.954 124.336 120.400 -0.031 0.000 2.281 403 K HA 0.746 5.065 4.320 -0.001 0.000 0.272 403 K C 0.167 176.654 176.600 -0.190 0.000 1.048 403 K CA -0.210 56.092 56.287 0.025 0.000 0.898 403 K CB 1.119 33.605 32.500 -0.023 0.000 1.128 403 K HN 0.663 nan 8.250 nan 0.000 0.460 404 A N 3.435 126.187 122.820 -0.113 0.000 3.078 404 A HA 0.192 4.511 4.320 -0.001 0.000 0.279 404 A C 0.550 178.178 177.584 0.074 0.000 1.594 404 A CA -0.615 51.325 52.037 -0.161 0.000 1.301 404 A CB -0.609 18.153 19.000 -0.395 0.000 1.162 404 A HN 0.759 nan 8.150 nan 0.000 0.585 405 N N 1.341 119.994 118.700 -0.078 0.000 2.389 405 N HA 0.139 4.878 4.740 -0.001 0.000 0.260 405 N C -0.182 174.889 175.510 -0.732 0.000 1.191 405 N CA -0.393 52.532 53.050 -0.208 0.000 0.885 405 N CB -0.043 38.343 38.487 -0.168 0.000 1.162 405 N HN 0.741 nan 8.380 nan 0.000 0.512 406 R N -2.579 117.408 120.500 -0.855 0.000 2.690 406 R HA 0.528 4.867 4.340 -0.001 0.000 0.269 406 R C -3.416 172.691 176.300 -0.321 0.000 1.037 406 R CA -1.515 54.070 56.100 -0.858 0.000 0.877 406 R CB 0.042 30.181 30.300 -0.268 0.000 1.255 406 R HN -0.211 nan 8.270 nan 0.000 0.467 407 P HA -0.016 nan 4.420 nan 0.000 0.264 407 P C -1.221 176.219 177.300 0.232 0.000 1.179 407 P CA 0.396 63.628 63.100 0.219 0.000 0.763 407 P CB 0.124 31.901 31.700 0.129 0.000 0.806 408 F N -0.012 120.021 119.950 0.137 0.000 2.631 408 F HA 0.567 5.093 4.527 -0.001 0.000 0.308 408 F C -1.259 174.604 175.800 0.106 0.000 1.097 408 F CA -1.498 56.572 58.000 0.117 0.000 0.952 408 F CB 0.563 39.645 39.000 0.137 0.000 1.307 408 F HN -0.021 nan 8.300 nan 0.000 0.450 409 L N 2.061 123.446 121.223 0.269 0.000 2.479 409 L HA 0.805 5.144 4.340 -0.001 0.000 0.249 409 L C -0.359 176.668 176.870 0.262 0.000 1.178 409 L CA -1.303 53.605 54.840 0.112 0.000 0.811 409 L CB 1.516 43.651 42.059 0.127 0.000 1.187 409 L HN 0.728 nan 8.230 nan 0.000 0.480 410 V N 0.512 120.441 119.914 0.025 0.000 3.048 410 V HA 0.586 4.706 4.120 -0.001 0.000 0.303 410 V C -1.742 174.364 176.094 0.020 0.000 1.214 410 V CA -0.380 62.081 62.300 0.268 0.000 0.984 410 V CB 2.197 34.226 31.823 0.343 0.000 1.054 410 V HN 0.516 nan 8.190 nan 0.000 0.430 411 F N 5.577 125.723 119.950 0.327 0.000 2.613 411 F HA 0.728 5.254 4.527 -0.001 0.000 0.310 411 F C -0.518 175.501 175.800 0.365 0.000 1.085 411 F CA -0.910 57.267 58.000 0.295 0.000 0.945 411 F CB 2.143 41.254 39.000 0.186 0.000 1.298 411 F HN 0.219 nan 8.300 nan 0.000 0.455 412 I N 3.087 123.997 120.570 0.567 0.000 2.411 412 I HA 0.462 4.631 4.170 -0.001 0.000 0.284 412 I C -0.555 175.736 176.117 0.291 0.000 1.012 412 I CA -0.653 60.934 61.300 0.479 0.000 1.119 412 I CB 1.546 39.898 38.000 0.586 0.000 1.261 412 I HN 0.690 nan 8.210 nan 0.000 0.448 413 R N 3.574 124.203 120.500 0.215 0.000 2.807 413 R HA 0.606 4.945 4.340 -0.001 0.000 0.276 413 R C -0.577 175.752 176.300 0.048 0.000 0.979 413 R CA -0.808 55.355 56.100 0.105 0.000 0.928 413 R CB 2.468 32.830 30.300 0.102 0.000 1.191 413 R HN 0.328 nan 8.270 nan 0.000 0.471 414 E N 2.698 122.895 120.200 -0.005 0.000 2.044 414 E HA 0.094 4.443 4.350 -0.001 0.000 0.282 414 E C 0.726 177.337 176.600 0.018 0.000 1.031 414 E CA -0.284 56.105 56.400 -0.018 0.000 0.824 414 E CB 1.600 31.259 29.700 -0.069 0.000 1.076 414 E HN 0.580 nan 8.360 nan 0.000 0.395 415 V N 7.085 127.025 119.914 0.045 0.000 2.233 415 V HA -0.211 3.908 4.120 -0.001 0.000 0.247 415 V C -0.868 175.257 176.094 0.051 0.000 1.050 415 V CA 1.873 64.207 62.300 0.056 0.000 1.010 415 V CB -1.326 30.535 31.823 0.065 0.000 0.637 415 V HN 0.556 nan 8.190 nan 0.000 0.444 416 P HA -0.145 nan 4.420 nan 0.000 0.216 416 P C 1.547 178.871 177.300 0.039 0.000 1.150 416 P CA 1.498 64.615 63.100 0.029 0.000 0.843 416 P CB -0.079 31.630 31.700 0.015 0.000 0.787 417 L N -2.452 118.785 121.223 0.024 0.000 2.592 417 L HA 0.169 4.509 4.340 -0.001 0.000 0.227 417 L C 0.599 177.493 176.870 0.040 0.000 1.127 417 L CA 0.000 54.850 54.840 0.016 0.000 0.884 417 L CB -1.058 40.977 42.059 -0.038 0.000 1.065 417 L HN 0.029 nan 8.230 nan 0.000 0.457 418 N N 0.518 119.262 118.700 0.074 0.000 2.710 418 N HA -0.183 4.556 4.740 -0.001 0.000 0.249 418 N C -0.364 175.141 175.510 -0.009 0.000 1.059 418 N CA 0.942 54.039 53.050 0.080 0.000 0.720 418 N CB -0.926 37.682 38.487 0.203 0.000 0.983 418 N HN 0.178 nan 8.380 nan 0.000 0.544 419 T N 0.888 115.435 114.554 -0.012 0.000 2.794 419 T HA 0.507 4.856 4.350 -0.001 0.000 0.280 419 T C 0.513 175.211 174.700 -0.003 0.000 0.987 419 T CA -0.516 61.567 62.100 -0.028 0.000 0.993 419 T CB 0.822 69.658 68.868 -0.053 0.000 0.939 419 T HN 0.181 nan 8.240 nan 0.000 0.449 420 I N 4.806 125.387 120.570 0.019 0.000 2.291 420 I HA 0.246 4.415 4.170 -0.001 0.000 0.292 420 I C 1.170 177.290 176.117 0.005 0.000 1.064 420 I CA -0.157 61.190 61.300 0.078 0.000 1.269 420 I CB 0.667 38.758 38.000 0.153 0.000 1.418 420 I HN 0.696 nan 8.210 nan 0.000 0.485 421 I N 5.250 125.786 120.570 -0.057 0.000 2.296 421 I HA -0.012 4.157 4.170 -0.001 0.000 0.242 421 I C 0.172 175.967 176.117 -0.537 0.000 1.087 421 I CA 1.169 62.271 61.300 -0.330 0.000 1.393 421 I CB 0.058 37.801 38.000 -0.428 0.000 1.093 421 I HN 0.289 nan 8.210 nan 0.000 0.421 422 F N 0.639 120.631 119.950 0.069 0.000 2.593 422 F HA 0.602 5.128 4.527 -0.001 0.000 0.320 422 F C -0.117 175.670 175.800 -0.022 0.000 1.060 422 F CA -0.970 56.985 58.000 -0.075 0.000 0.940 422 F CB 1.750 40.713 39.000 -0.061 0.000 1.268 422 F HN -0.188 nan 8.300 nan 0.000 0.475 423 M N 1.045 120.644 119.600 -0.002 0.000 2.365 423 M HA 0.919 5.398 4.480 -0.001 0.000 0.287 423 M C -1.173 175.083 176.300 -0.073 0.000 1.154 423 M CA -0.304 54.886 55.300 -0.184 0.000 0.941 423 M CB 2.346 34.762 32.600 -0.306 0.000 1.704 423 M HN 0.706 nan 8.290 nan 0.000 0.479 424 G N 1.701 110.468 108.800 -0.055 0.000 2.782 424 G HA2 0.767 4.726 3.960 -0.001 0.000 0.304 424 G HA3 0.767 4.726 3.960 -0.001 0.000 0.304 424 G C -2.168 172.758 174.900 0.043 0.000 1.315 424 G CA -0.943 44.296 45.100 0.232 0.000 0.791 424 G HN 0.873 nan 8.290 nan 0.000 0.519 425 R N -0.693 119.859 120.500 0.086 0.000 2.584 425 R HA 0.533 4.872 4.340 -0.001 0.000 0.276 425 R C -2.009 174.144 176.300 -0.245 0.000 1.046 425 R CA -0.469 55.595 56.100 -0.060 0.000 0.906 425 R CB 2.311 32.678 30.300 0.113 0.000 1.215 425 R HN 0.367 nan 8.270 nan 0.000 0.449 426 V N 4.262 123.819 119.914 -0.594 0.000 2.266 426 V HA 0.336 4.455 4.120 -0.001 0.000 0.271 426 V C 0.676 176.475 176.094 -0.493 0.000 1.032 426 V CA -0.001 61.834 62.300 -0.774 0.000 0.806 426 V CB 0.939 31.853 31.823 -1.515 0.000 1.052 426 V HN 0.929 nan 8.190 nan 0.000 0.449 427 A N 3.735 126.425 122.820 -0.217 0.000 2.267 427 A HA 0.285 4.604 4.320 -0.001 0.000 0.213 427 A C 0.854 178.453 177.584 0.026 0.000 1.192 427 A CA 0.277 52.322 52.037 0.013 0.000 0.851 427 A CB 0.079 19.095 19.000 0.026 0.000 0.881 427 A HN 0.635 nan 8.150 nan 0.000 0.494 428 N N -0.523 118.016 118.700 -0.269 0.000 2.812 428 N HA 0.105 4.845 4.740 -0.001 0.000 0.262 428 N C -3.000 172.253 175.510 -0.428 0.000 1.241 428 N CA -0.619 52.210 53.050 -0.369 0.000 0.854 428 N CB 1.727 40.145 38.487 -0.116 0.000 1.506 428 N HN -0.050 nan 8.380 nan 0.000 0.576 429 P HA 0.166 nan 4.420 nan 0.000 0.238 429 P C 0.544 177.734 177.300 -0.183 0.000 1.183 429 P CA 0.216 63.117 63.100 -0.333 0.000 0.813 429 P CB 0.272 31.757 31.700 -0.359 0.000 0.944 430 c N 0.692 119.161 118.600 -0.219 0.000 2.746 430 c HA 0.204 4.773 4.570 -0.001 0.000 0.403 430 c C 1.263 175.320 174.090 -0.055 0.000 1.270 430 c CA -0.005 56.265 56.329 -0.098 0.000 1.978 430 c CB -0.285 42.184 42.510 -0.068 0.000 2.724 430 c HN 0.065 nan 8.230 nan 0.000 0.678 431 V N 0.000 119.898 119.914 -0.027 0.000 2.409 431 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 431 V CA 0.000 62.292 62.300 -0.014 0.000 1.235 431 V CB 0.000 31.819 31.823 -0.006 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556