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 1ta9_1_A DATA FIRST_RESID 58 DATA SEQUENCE FEESKDRIFT SPQKYVQGRH AFTRSYMYVK KWATKSAVVL ADQNVWNICA DATA SEQUENCE NKIVDSLSQN GMTVTKLVFG GEASLVELDK LRKQCPDDTQ VIIGVGGGKT DATA SEQUENCE MDSAKYIAHS MNLPSIICPT TASSDAATSS LSVIYXXXXQ FQKYSFYPLN DATA SEQUENCE PNLIFIDTDV IVRAPVRFLI SGIGDALSTW VETESVIRSN STSFAGGVAS DATA SEQUENCE IAGRYIARAC KDTLEKYALS AILSNTRGVC TEAFENVVEA NTLMSGLGFE DATA SEQUENCE NGGLAAAHAI HNGMTAIHGP VHRLMHGEKV AYGTLVQVVL EDWPLEDFNN DATA SEQUENCE LASFMAKCHL PITLEELGIP NVTDEELLMV GRATLRPDES IHNMSKKFNP DATA SEQUENCE SQIADAIKAV DSYSQKWQEQ TGWTERFRLP PSRHSPHLTD IHP 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 58 F HA 0.000 nan 4.527 nan 0.000 0.279 58 F C 0.000 175.667 175.800 -0.222 0.000 0.967 58 F CA 0.000 57.807 58.000 -0.321 0.000 1.383 58 F CB 0.000 38.688 39.000 -0.520 0.000 1.145 59 E N 4.009 123.671 120.200 -0.896 0.000 2.185 59 E HA 0.508 4.858 4.350 -0.000 0.000 0.261 59 E C -1.138 174.985 176.600 -0.795 0.000 0.879 59 E CA -0.766 55.282 56.400 -0.586 0.000 0.756 59 E CB 2.005 31.495 29.700 -0.350 0.000 1.152 59 E HN 0.750 nan 8.360 nan 0.000 0.416 60 E N 1.213 121.152 120.200 -0.435 0.000 2.313 60 E HA 0.560 4.910 4.350 -0.000 0.000 0.272 60 E C -0.415 176.087 176.600 -0.163 0.000 1.038 60 E CA -0.248 55.998 56.400 -0.256 0.000 0.863 60 E CB 1.175 30.875 29.700 -0.001 0.000 1.060 60 E HN 0.480 nan 8.360 nan 0.000 0.402 61 S N 2.035 117.664 115.700 -0.118 0.000 2.618 61 S HA 0.237 4.707 4.470 -0.000 0.000 0.277 61 S C -0.210 174.369 174.600 -0.034 0.000 1.138 61 S CA -0.778 57.377 58.200 -0.075 0.000 0.844 61 S CB 1.550 64.696 63.200 -0.090 0.000 1.127 61 S HN 0.574 nan 8.310 nan 0.000 0.474 62 K N 0.959 121.346 120.400 -0.022 0.000 2.374 62 K HA 0.140 4.460 4.320 -0.000 0.000 0.196 62 K C -0.618 175.981 176.600 -0.002 0.000 1.023 62 K CA 0.057 56.341 56.287 -0.006 0.000 1.103 62 K CB -0.077 32.420 32.500 -0.004 0.000 0.848 62 K HN 0.623 nan 8.250 nan 0.000 0.528 63 D N 1.320 121.715 120.400 -0.008 0.000 2.354 63 D HA 0.041 4.681 4.640 -0.000 0.000 0.247 63 D C -0.200 176.106 176.300 0.010 0.000 1.138 63 D CA -0.140 53.859 54.000 -0.000 0.000 0.958 63 D CB 1.010 41.806 40.800 -0.006 0.000 1.144 63 D HN 0.018 nan 8.370 nan 0.000 0.458 64 R N 1.287 121.800 120.500 0.021 0.000 2.216 64 R HA 0.404 4.744 4.340 -0.000 0.000 0.332 64 R C -0.714 175.617 176.300 0.052 0.000 1.056 64 R CA -0.242 55.881 56.100 0.039 0.000 0.901 64 R CB 0.053 30.377 30.300 0.040 0.000 1.039 64 R HN 0.376 nan 8.270 nan 0.000 0.456 65 I N 4.989 125.597 120.570 0.063 0.000 2.509 65 I HA 0.360 4.530 4.170 -0.000 0.000 0.293 65 I C -0.960 175.237 176.117 0.133 0.000 1.020 65 I CA -0.934 60.411 61.300 0.076 0.000 1.088 65 I CB 1.880 39.890 38.000 0.017 0.000 1.267 65 I HN 0.523 nan 8.210 nan 0.000 0.430 66 F N 4.707 124.658 119.950 0.001 0.000 2.507 66 F HA 0.642 5.169 4.527 0.000 0.000 0.325 66 F C -0.249 175.553 175.800 0.002 0.000 1.116 66 F CA -0.137 57.864 58.000 0.003 0.000 0.930 66 F CB 1.880 40.882 39.000 0.003 0.000 1.146 66 F HN 0.371 nan 8.300 nan 0.000 0.447 67 T N 3.786 117.972 114.554 -0.613 0.000 2.907 67 T HA 0.726 5.076 4.350 -0.000 0.000 0.292 67 T C -1.401 172.979 174.700 -0.533 0.000 1.043 67 T CA -0.311 61.572 62.100 -0.362 0.000 1.003 67 T CB 1.411 70.161 68.868 -0.197 0.000 1.084 67 T HN 0.895 nan 8.240 nan 0.000 0.483 68 S N 3.156 118.735 115.700 -0.201 0.000 2.611 68 S HA 0.625 5.095 4.470 -0.000 0.000 0.270 68 S C -3.115 171.490 174.600 0.009 0.000 1.131 68 S CA -0.885 57.248 58.200 -0.113 0.000 0.826 68 S CB 1.082 64.281 63.200 -0.002 0.000 1.095 68 S HN 0.529 nan 8.310 nan 0.000 0.461 69 P HA 0.337 nan 4.420 nan 0.000 0.273 69 P C 0.280 177.652 177.300 0.119 0.000 1.250 69 P CA -0.259 62.879 63.100 0.062 0.000 0.793 69 P CB 0.309 32.053 31.700 0.073 0.000 1.011 70 Q N -0.163 119.731 119.800 0.158 0.000 2.137 70 Q HA -0.008 4.332 4.340 -0.000 0.000 0.198 70 Q C 0.046 176.187 176.000 0.236 0.000 0.960 70 Q CA 1.225 57.162 55.803 0.223 0.000 0.847 70 Q CB 0.136 29.086 28.738 0.353 0.000 0.915 70 Q HN 0.336 nan 8.270 nan 0.000 0.448 71 K N -0.339 120.212 120.400 0.251 0.000 2.502 71 K HA 0.301 4.621 4.320 -0.000 0.000 0.257 71 K C -1.760 174.957 176.600 0.195 0.000 0.938 71 K CA -0.763 55.663 56.287 0.233 0.000 0.819 71 K CB 1.999 34.687 32.500 0.313 0.000 1.333 71 K HN -0.051 nan 8.250 nan 0.000 0.434 72 Y N 1.042 121.375 120.300 0.055 0.000 2.329 72 Y HA 0.449 4.999 4.550 -0.000 0.000 0.328 72 Y C -1.432 174.470 175.900 0.004 0.000 0.992 72 Y CA -0.713 57.405 58.100 0.031 0.000 1.151 72 Y CB 1.306 39.786 38.460 0.034 0.000 1.150 72 Y HN 0.236 nan 8.280 nan 0.000 0.450 73 V N 6.807 126.456 119.914 -0.443 0.000 2.531 73 V HA 0.447 4.567 4.120 -0.000 0.000 0.301 73 V C -0.948 174.901 176.094 -0.408 0.000 1.034 73 V CA -0.682 61.410 62.300 -0.347 0.000 0.865 73 V CB 1.637 33.163 31.823 -0.494 0.000 0.995 73 V HN 0.772 nan 8.190 nan 0.000 0.424 74 Q N 2.867 122.505 119.800 -0.270 0.000 2.285 74 Q HA 0.746 5.086 4.340 -0.000 0.000 0.269 74 Q C -0.624 175.315 176.000 -0.101 0.000 1.030 74 Q CA -0.388 55.282 55.803 -0.222 0.000 0.788 74 Q CB 2.394 31.062 28.738 -0.116 0.000 1.266 74 Q HN 1.006 nan 8.270 nan 0.000 0.438 75 G N 2.501 111.217 108.800 -0.139 0.000 2.519 75 G HA2 0.228 4.188 3.960 -0.000 0.000 0.292 75 G HA3 0.228 4.188 3.960 -0.000 0.000 0.292 75 G C -1.859 172.956 174.900 -0.143 0.000 1.507 75 G CA -0.977 44.078 45.100 -0.075 0.000 0.806 75 G HN 0.586 nan 8.290 nan 0.000 0.523 76 R N 0.570 121.002 120.500 -0.113 0.000 2.401 76 R HA 0.364 4.704 4.340 -0.000 0.000 0.299 76 R C 0.305 176.479 176.300 -0.210 0.000 1.064 76 R CA -0.064 55.881 56.100 -0.259 0.000 1.000 76 R CB -0.059 30.095 30.300 -0.243 0.000 0.973 76 R HN 0.825 nan 8.270 nan 0.000 0.438 77 H N 1.080 120.069 119.070 -0.135 0.000 3.022 77 H HA -0.187 4.369 4.556 -0.000 0.000 0.258 77 H C 0.960 176.257 175.328 -0.053 0.000 1.212 77 H CA 0.729 56.723 56.048 -0.090 0.000 1.126 77 H CB -1.684 28.070 29.762 -0.013 0.000 1.267 77 H HN 0.761 nan 8.280 nan 0.000 0.345 78 A N 0.489 123.254 122.820 -0.093 0.000 1.986 78 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 78 A C 1.933 179.655 177.584 0.230 0.000 1.171 78 A CA 1.673 53.726 52.037 0.026 0.000 0.640 78 A CB -0.646 18.212 19.000 -0.237 0.000 0.811 78 A HN 0.224 nan 8.150 nan 0.000 0.451 79 F N 1.122 121.020 119.950 -0.086 0.000 2.250 79 F HA -0.127 4.400 4.527 -0.000 0.000 0.301 79 F C 2.769 178.689 175.800 0.201 0.000 1.077 79 F CA 1.363 59.391 58.000 0.046 0.000 1.348 79 F CB -1.526 37.452 39.000 -0.037 0.000 1.040 79 F HN 0.430 nan 8.300 nan 0.000 0.509 80 T N -2.367 112.399 114.554 0.353 0.000 3.113 80 T HA -0.047 4.303 4.350 -0.000 0.000 0.263 80 T C 1.483 176.338 174.700 0.259 0.000 1.143 80 T CA 0.500 62.753 62.100 0.255 0.000 1.090 80 T CB -0.275 68.696 68.868 0.173 0.000 0.922 80 T HN 0.247 nan 8.240 nan 0.000 0.521 81 R N 0.385 121.102 120.500 0.362 0.000 2.613 81 R HA 0.394 4.734 4.340 -0.000 0.000 0.361 81 R C 1.685 178.227 176.300 0.404 0.000 1.072 81 R CA -0.096 56.196 56.100 0.320 0.000 1.089 81 R CB 0.341 30.834 30.300 0.322 0.000 1.343 81 R HN 0.246 nan 8.270 nan 0.000 0.571 82 S N 0.807 116.802 115.700 0.491 0.000 2.359 82 S HA -0.262 4.208 4.470 -0.000 0.000 0.223 82 S C 1.486 176.197 174.600 0.184 0.000 1.039 82 S CA 1.540 59.998 58.200 0.430 0.000 1.042 82 S CB -0.306 63.133 63.200 0.398 0.000 0.915 82 S HN 0.491 nan 8.310 nan 0.000 0.439 83 Y N 2.792 123.135 120.300 0.071 0.000 2.114 83 Y HA -0.290 4.260 4.550 -0.000 0.000 0.282 83 Y C 2.409 178.266 175.900 -0.072 0.000 1.165 83 Y CA 2.144 60.249 58.100 0.009 0.000 1.148 83 Y CB -0.493 37.974 38.460 0.010 0.000 0.972 83 Y HN 0.370 nan 8.280 nan 0.000 0.504 84 M N -1.835 117.662 119.600 -0.172 0.000 2.346 84 M HA -0.231 4.249 4.480 -0.000 0.000 0.263 84 M C 0.833 176.802 176.300 -0.551 0.000 1.064 84 M CA 1.832 56.888 55.300 -0.406 0.000 1.083 84 M CB -0.743 31.583 32.600 -0.457 0.000 1.399 84 M HN 0.242 nan 8.290 nan 0.000 0.435 85 Y N 0.115 120.306 120.300 -0.182 0.000 2.396 85 Y HA 0.186 4.736 4.550 -0.000 0.000 0.292 85 Y C 2.516 178.360 175.900 -0.093 0.000 1.128 85 Y CA 0.367 58.360 58.100 -0.180 0.000 1.194 85 Y CB -0.640 37.612 38.460 -0.347 0.000 1.124 85 Y HN -0.045 nan 8.280 nan 0.000 0.543 86 V N 1.958 121.869 119.914 -0.006 0.000 2.490 86 V HA -0.311 3.809 4.120 -0.000 0.000 0.250 86 V C 2.171 178.254 176.094 -0.018 0.000 1.061 86 V CA 2.245 64.585 62.300 0.067 0.000 1.064 86 V CB -0.845 30.988 31.823 0.018 0.000 0.670 86 V HN 0.495 nan 8.190 nan 0.000 0.461 87 K N 0.749 120.920 120.400 -0.382 0.000 2.360 87 K HA -0.215 4.105 4.320 -0.000 0.000 0.201 87 K C 1.821 178.247 176.600 -0.291 0.000 1.046 87 K CA 1.540 57.541 56.287 -0.477 0.000 0.940 87 K CB -0.359 31.602 32.500 -0.897 0.000 0.748 87 K HN 0.364 nan 8.250 nan 0.000 0.465 88 K N -0.424 119.778 120.400 -0.331 0.000 2.362 88 K HA -0.065 4.255 4.320 -0.000 0.000 0.200 88 K C 1.120 177.296 176.600 -0.707 0.000 1.046 88 K CA 1.040 56.954 56.287 -0.622 0.000 0.952 88 K CB 0.055 31.919 32.500 -1.061 0.000 0.753 88 K HN 0.413 nan 8.250 nan 0.000 0.466 89 W N -0.743 120.503 121.300 -0.090 0.000 2.835 89 W HA 0.380 5.040 4.660 0.000 0.000 0.278 89 W C -0.076 176.413 176.519 -0.050 0.000 1.075 89 W CA -0.296 57.013 57.345 -0.060 0.000 1.439 89 W CB 0.813 30.240 29.460 -0.055 0.000 0.927 89 W HN -0.194 nan 8.180 nan 0.000 0.604 90 A N 0.654 123.561 122.820 0.144 0.000 2.513 90 A HA 0.499 4.819 4.320 -0.000 0.000 0.296 90 A C 0.195 177.822 177.584 0.071 0.000 1.052 90 A CA 0.091 52.187 52.037 0.098 0.000 0.714 90 A CB 0.571 19.640 19.000 0.116 0.000 1.279 90 A HN 0.012 nan 8.150 nan 0.000 0.397 91 T N -1.653 112.955 114.554 0.090 0.000 3.043 91 T HA 0.290 4.640 4.350 -0.000 0.000 0.272 91 T C 0.883 175.680 174.700 0.163 0.000 0.990 91 T CA 0.414 62.617 62.100 0.172 0.000 0.897 91 T CB -0.019 68.933 68.868 0.140 0.000 1.111 91 T HN 0.554 nan 8.240 nan 0.000 0.529 92 K N 0.733 121.197 120.400 0.107 0.000 2.325 92 K HA 0.385 4.705 4.320 -0.000 0.000 0.203 92 K C 0.371 177.014 176.600 0.072 0.000 1.128 92 K CA 0.085 56.419 56.287 0.079 0.000 0.931 92 K CB 0.794 33.327 32.500 0.055 0.000 1.125 92 K HN 0.178 nan 8.250 nan 0.000 0.487 93 S N -0.035 115.707 115.700 0.071 0.000 2.575 93 S HA 0.723 5.193 4.470 -0.000 0.000 0.278 93 S C -1.919 172.721 174.600 0.066 0.000 1.139 93 S CA -0.644 57.594 58.200 0.063 0.000 0.954 93 S CB 1.724 64.952 63.200 0.047 0.000 1.054 93 S HN 0.260 nan 8.310 nan 0.000 0.483 94 A N 3.342 126.203 122.820 0.068 0.000 2.539 94 A HA 0.829 5.149 4.320 -0.000 0.000 0.296 94 A C -1.323 176.300 177.584 0.065 0.000 1.073 94 A CA -0.592 51.483 52.037 0.063 0.000 0.700 94 A CB 1.747 20.790 19.000 0.072 0.000 1.296 94 A HN 0.788 nan 8.150 nan 0.000 0.405 95 V N 1.370 121.317 119.914 0.054 0.000 2.435 95 V HA 0.517 4.637 4.120 -0.000 0.000 0.290 95 V C -0.520 175.619 176.094 0.075 0.000 1.030 95 V CA -0.400 61.943 62.300 0.072 0.000 0.881 95 V CB 1.626 33.484 31.823 0.057 0.000 0.983 95 V HN 0.660 nan 8.190 nan 0.000 0.445 96 V N 6.254 126.252 119.914 0.141 0.000 2.378 96 V HA 0.449 4.569 4.120 -0.000 0.000 0.288 96 V C -0.501 175.713 176.094 0.200 0.000 1.016 96 V CA -0.543 61.825 62.300 0.114 0.000 0.840 96 V CB 1.571 33.482 31.823 0.146 0.000 0.994 96 V HN 0.646 nan 8.190 nan 0.000 0.431 97 L N 5.383 126.634 121.223 0.046 0.000 2.296 97 L HA 0.969 5.309 4.340 -0.000 0.000 0.286 97 L C -0.057 176.761 176.870 -0.086 0.000 1.023 97 L CA 0.138 55.028 54.840 0.083 0.000 0.812 97 L CB 1.248 43.322 42.059 0.024 0.000 1.223 97 L HN 0.803 nan 8.230 nan 0.000 0.421 98 A N 3.122 125.940 122.820 -0.003 0.000 2.605 98 A HA 0.596 4.916 4.320 -0.000 0.000 0.294 98 A C -1.563 176.098 177.584 0.128 0.000 1.062 98 A CA -0.575 51.330 52.037 -0.220 0.000 0.682 98 A CB 0.933 19.394 19.000 -0.897 0.000 1.278 98 A HN 0.769 nan 8.150 nan 0.000 0.410 99 D N 0.500 120.999 120.400 0.166 0.000 2.377 99 D HA 0.293 4.933 4.640 -0.000 0.000 0.245 99 D C 0.909 177.377 176.300 0.281 0.000 1.196 99 D CA -0.217 53.940 54.000 0.262 0.000 0.962 99 D CB 0.542 41.465 40.800 0.204 0.000 1.127 99 D HN 0.429 nan 8.370 nan 0.000 0.471 100 Q N 0.257 120.215 119.800 0.262 0.000 2.135 100 Q HA -0.251 4.089 4.340 -0.000 0.000 0.204 100 Q C 1.569 177.692 176.000 0.204 0.000 0.981 100 Q CA 2.092 58.055 55.803 0.267 0.000 0.856 100 Q CB -0.603 28.220 28.738 0.141 0.000 0.902 100 Q HN 0.653 nan 8.270 nan 0.000 0.425 101 N N -1.127 117.643 118.700 0.117 0.000 2.084 101 N HA -0.132 4.608 4.740 -0.000 0.000 0.190 101 N C 1.419 176.962 175.510 0.056 0.000 1.030 101 N CA 1.685 54.778 53.050 0.071 0.000 0.849 101 N CB -0.230 38.275 38.487 0.029 0.000 1.012 101 N HN 0.168 nan 8.380 nan 0.000 0.423 102 V N -0.709 119.211 119.914 0.011 0.000 2.427 102 V HA -0.170 3.950 4.120 -0.000 0.000 0.248 102 V C 1.741 177.789 176.094 -0.077 0.000 1.051 102 V CA 1.394 63.646 62.300 -0.079 0.000 1.048 102 V CB -0.742 30.969 31.823 -0.186 0.000 0.666 102 V HN 0.415 nan 8.190 nan 0.000 0.456 103 W N 0.756 122.068 121.300 0.019 0.000 2.358 103 W HA -0.146 4.514 4.660 0.000 0.000 0.303 103 W C 2.413 178.943 176.519 0.018 0.000 1.208 103 W CA 1.605 58.959 57.345 0.016 0.000 1.274 103 W CB -0.448 29.023 29.460 0.018 0.000 1.138 103 W HN 0.292 nan 8.180 nan 0.000 0.515 104 N N 0.010 118.860 118.700 0.251 0.000 2.166 104 N HA -0.149 4.591 4.740 -0.000 0.000 0.186 104 N C 1.512 177.088 175.510 0.110 0.000 1.019 104 N CA 1.449 54.591 53.050 0.154 0.000 0.856 104 N CB -0.284 38.269 38.487 0.109 0.000 0.993 104 N HN 0.142 nan 8.380 nan 0.000 0.426 105 I N -0.463 120.157 120.570 0.083 0.000 2.628 105 I HA -0.030 4.140 4.170 -0.000 0.000 0.255 105 I C 1.663 177.818 176.117 0.063 0.000 1.119 105 I CA 0.591 61.925 61.300 0.057 0.000 1.448 105 I CB 0.302 38.319 38.000 0.027 0.000 1.133 105 I HN 0.394 nan 8.210 nan 0.000 0.438 106 C N -2.338 116.992 119.300 0.050 0.000 4.665 106 C HA 0.498 4.958 4.460 -0.000 0.000 0.452 106 C C 2.558 177.555 174.990 0.011 0.000 1.647 106 C CA -0.052 59.015 59.018 0.083 0.000 2.146 106 C CB -0.456 27.375 27.740 0.151 0.000 3.201 106 C HN 0.260 nan 8.230 nan 0.000 0.626 107 A N 2.394 125.124 122.820 -0.149 0.000 2.024 107 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 107 A C 1.892 179.407 177.584 -0.116 0.000 1.164 107 A CA 2.156 53.960 52.037 -0.389 0.000 0.643 107 A CB -0.709 17.654 19.000 -1.062 0.000 0.806 107 A HN 0.727 nan 8.150 nan 0.000 0.451 108 N N -0.071 118.715 118.700 0.144 0.000 2.381 108 N HA -0.103 4.637 4.740 -0.000 0.000 0.182 108 N C 1.446 177.036 175.510 0.132 0.000 1.025 108 N CA 1.119 54.305 53.050 0.226 0.000 0.888 108 N CB -0.187 38.438 38.487 0.229 0.000 0.965 108 N HN 0.602 nan 8.380 nan 0.000 0.438 109 K N 0.688 121.149 120.400 0.103 0.000 2.097 109 K HA -0.004 4.316 4.320 -0.000 0.000 0.206 109 K C 1.998 178.665 176.600 0.112 0.000 1.049 109 K CA 0.772 57.140 56.287 0.134 0.000 0.933 109 K CB 0.040 32.673 32.500 0.221 0.000 0.717 109 K HN 0.155 nan 8.250 nan 0.000 0.442 110 I N 0.484 121.051 120.570 -0.005 0.000 2.233 110 I HA -0.244 3.926 4.170 -0.000 0.000 0.243 110 I C 2.182 178.341 176.117 0.071 0.000 1.093 110 I CA 0.876 62.167 61.300 -0.014 0.000 1.380 110 I CB -0.222 37.638 38.000 -0.235 0.000 1.067 110 I HN -0.086 nan 8.210 nan 0.000 0.413 111 V N 0.957 120.925 119.914 0.090 0.000 2.287 111 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 111 V C 2.083 178.242 176.094 0.108 0.000 1.053 111 V CA 2.095 64.476 62.300 0.135 0.000 1.027 111 V CB -0.719 31.233 31.823 0.214 0.000 0.646 111 V HN 0.400 nan 8.190 nan 0.000 0.447 112 D N -0.284 120.179 120.400 0.104 0.000 2.123 112 D HA -0.164 4.476 4.640 -0.000 0.000 0.196 112 D C 2.416 178.760 176.300 0.074 0.000 0.992 112 D CA 1.810 55.859 54.000 0.081 0.000 0.833 112 D CB -0.402 40.448 40.800 0.083 0.000 0.954 112 D HN 0.426 nan 8.370 nan 0.000 0.455 113 S N -0.395 115.367 115.700 0.105 0.000 2.356 113 S HA -0.082 4.388 4.470 -0.000 0.000 0.223 113 S C 2.080 176.737 174.600 0.094 0.000 1.032 113 S CA 0.705 58.975 58.200 0.117 0.000 1.005 113 S CB -0.261 63.053 63.200 0.191 0.000 0.867 113 S HN 0.190 nan 8.310 nan 0.000 0.449 114 L N 1.578 122.876 121.223 0.124 0.000 2.056 114 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 114 L C 2.936 179.817 176.870 0.020 0.000 1.078 114 L CA 1.519 56.436 54.840 0.129 0.000 0.749 114 L CB -0.929 41.225 42.059 0.159 0.000 0.901 114 L HN 0.502 nan 8.230 nan 0.000 0.433 115 S N -0.447 115.268 115.700 0.025 0.000 2.368 115 S HA -0.238 4.232 4.470 -0.000 0.000 0.224 115 S C 1.849 176.422 174.600 -0.045 0.000 1.029 115 S CA 0.862 59.061 58.200 -0.002 0.000 0.988 115 S CB -0.472 62.739 63.200 0.019 0.000 0.838 115 S HN 0.456 nan 8.310 nan 0.000 0.462 116 Q N 1.203 120.975 119.800 -0.047 0.000 2.364 116 Q HA 0.119 4.459 4.340 -0.000 0.000 0.209 116 Q C 0.697 176.606 176.000 -0.151 0.000 0.977 116 Q CA 0.737 56.498 55.803 -0.069 0.000 0.885 116 Q CB -0.220 28.495 28.738 -0.038 0.000 0.941 116 Q HN 0.569 nan 8.270 nan 0.000 0.464 117 N N -0.800 117.743 118.700 -0.261 0.000 2.321 117 N HA 0.107 4.847 4.740 -0.000 0.000 0.242 117 N C 0.222 175.496 175.510 -0.393 0.000 1.141 117 N CA 0.638 53.378 53.050 -0.516 0.000 0.864 117 N CB 1.458 39.187 38.487 -1.263 0.000 1.100 117 N HN 0.319 nan 8.380 nan 0.000 0.510 118 G N 1.062 109.751 108.800 -0.185 0.000 2.184 118 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.264 118 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.264 118 G C 0.253 175.130 174.900 -0.038 0.000 0.975 118 G CA 0.154 45.198 45.100 -0.095 0.000 0.642 118 G HN 0.271 nan 8.290 nan 0.000 0.536 119 M N 0.914 120.501 119.600 -0.023 0.000 2.288 119 M HA 0.394 4.874 4.480 -0.000 0.000 0.334 119 M C 0.418 176.741 176.300 0.038 0.000 1.150 119 M CA 0.120 55.447 55.300 0.044 0.000 1.118 119 M CB 1.050 33.715 32.600 0.109 0.000 1.501 119 M HN 0.053 nan 8.290 nan 0.000 0.462 120 T N 2.219 116.800 114.554 0.046 0.000 2.771 120 T HA 0.454 4.804 4.350 -0.000 0.000 0.291 120 T C -0.488 174.243 174.700 0.053 0.000 0.954 120 T CA -0.527 61.596 62.100 0.039 0.000 1.045 120 T CB 0.639 69.527 68.868 0.032 0.000 0.917 120 T HN 0.382 nan 8.240 nan 0.000 0.484 121 V N 4.144 124.090 119.914 0.054 0.000 2.407 121 V HA 0.339 4.459 4.120 -0.000 0.000 0.291 121 V C 0.337 176.469 176.094 0.064 0.000 1.018 121 V CA -0.877 61.467 62.300 0.073 0.000 0.842 121 V CB 1.773 33.654 31.823 0.096 0.000 0.996 121 V HN 0.921 nan 8.190 nan 0.000 0.426 122 T N 5.590 120.186 114.554 0.070 0.000 2.727 122 T HA 0.298 4.648 4.350 -0.000 0.000 0.298 122 T C -0.002 174.756 174.700 0.097 0.000 0.942 122 T CA -0.398 61.737 62.100 0.058 0.000 0.997 122 T CB 0.143 69.044 68.868 0.054 0.000 0.917 122 T HN 0.524 nan 8.240 nan 0.000 0.487 123 K N 4.101 124.529 120.400 0.047 0.000 2.262 123 K HA 0.455 4.775 4.320 -0.000 0.000 0.282 123 K C -0.529 176.088 176.600 0.028 0.000 1.066 123 K CA -0.405 55.914 56.287 0.054 0.000 0.901 123 K CB 0.975 33.270 32.500 -0.342 0.000 1.089 123 K HN 0.445 nan 8.250 nan 0.000 0.476 124 L N 3.030 124.403 121.223 0.250 0.000 2.329 124 L HA 0.445 4.785 4.340 -0.000 0.000 0.279 124 L C -0.346 176.757 176.870 0.388 0.000 1.014 124 L CA -1.379 53.587 54.840 0.211 0.000 0.814 124 L CB 1.912 44.087 42.059 0.192 0.000 1.257 124 L HN 0.252 nan 8.230 nan 0.000 0.424 125 V N 3.057 123.121 119.914 0.250 0.000 2.364 125 V HA 0.204 4.324 4.120 -0.000 0.000 0.272 125 V C -0.159 176.121 176.094 0.310 0.000 1.036 125 V CA -0.371 62.129 62.300 0.334 0.000 0.880 125 V CB 1.192 33.098 31.823 0.138 0.000 0.991 125 V HN 0.464 nan 8.190 nan 0.000 0.460 126 F N 3.859 123.918 119.950 0.180 0.000 2.504 126 F HA 0.430 4.957 4.527 0.000 0.000 0.369 126 F C 1.467 177.315 175.800 0.080 0.000 1.082 126 F CA 0.072 58.134 58.000 0.102 0.000 1.216 126 F CB 1.249 40.292 39.000 0.071 0.000 1.108 126 F HN 0.620 nan 8.300 nan 0.000 0.554 127 G N 3.012 111.550 108.800 -0.438 0.000 2.470 127 G HA2 0.154 4.114 3.960 -0.000 0.000 0.220 127 G HA3 0.154 4.114 3.960 -0.000 0.000 0.220 127 G C 1.237 175.764 174.900 -0.622 0.000 1.121 127 G CA 0.576 45.422 45.100 -0.424 0.000 0.766 127 G HN 1.512 nan 8.290 nan 0.000 0.553 128 G N -2.312 105.658 108.800 -1.385 0.000 2.201 128 G HA2 0.218 4.178 3.960 -0.000 0.000 0.212 128 G HA3 0.218 4.178 3.960 -0.000 0.000 0.212 128 G C 0.116 174.709 174.900 -0.511 0.000 0.994 128 G CA 0.819 45.436 45.100 -0.804 0.000 0.644 128 G HN 1.348 nan 8.290 nan 0.000 0.508 129 E N -0.118 119.750 120.200 -0.553 0.000 2.182 129 E HA 0.846 5.196 4.350 -0.000 0.000 0.258 129 E C 0.014 176.657 176.600 0.072 0.000 0.879 129 E CA 0.131 56.456 56.400 -0.124 0.000 0.754 129 E CB 1.219 30.862 29.700 -0.095 0.000 1.162 129 E HN 1.895 nan 8.360 nan 0.000 0.419 130 A N 2.433 125.419 122.820 0.277 0.000 3.063 130 A HA 0.495 4.815 4.320 -0.000 0.000 0.263 130 A C 0.733 178.358 177.584 0.069 0.000 1.736 130 A CA 0.346 52.544 52.037 0.269 0.000 1.408 130 A CB -1.165 17.964 19.000 0.216 0.000 1.108 130 A HN 1.037 nan 8.150 nan 0.000 0.621 131 S N 0.155 115.877 115.700 0.037 0.000 2.608 131 S HA 0.577 5.047 4.470 -0.000 0.000 0.291 131 S C 0.985 175.546 174.600 -0.066 0.000 1.146 131 S CA -0.821 57.365 58.200 -0.023 0.000 1.043 131 S CB 0.985 64.179 63.200 -0.009 0.000 1.037 131 S HN 0.366 nan 8.310 nan 0.000 0.520 132 L N 1.636 122.799 121.223 -0.100 0.000 2.079 132 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 132 L C 2.441 179.301 176.870 -0.017 0.000 1.081 132 L CA 0.975 55.749 54.840 -0.110 0.000 0.752 132 L CB -0.920 41.105 42.059 -0.057 0.000 0.896 132 L HN 0.617 nan 8.230 nan 0.000 0.433 133 V N 0.288 120.201 119.914 -0.000 0.000 2.295 133 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 133 V C 3.056 179.170 176.094 0.033 0.000 1.049 133 V CA 2.311 64.623 62.300 0.021 0.000 1.024 133 V CB -1.042 30.789 31.823 0.013 0.000 0.648 133 V HN 0.620 nan 8.190 nan 0.000 0.447 134 E N -0.094 120.123 120.200 0.029 0.000 2.150 134 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 134 E C 2.031 178.688 176.600 0.095 0.000 0.985 134 E CA 1.519 57.950 56.400 0.051 0.000 0.814 134 E CB -0.581 29.142 29.700 0.039 0.000 0.752 134 E HN 0.637 nan 8.360 nan 0.000 0.466 135 L N 0.246 121.518 121.223 0.083 0.000 2.093 135 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 135 L C 3.045 180.011 176.870 0.159 0.000 1.085 135 L CA 1.673 56.587 54.840 0.123 0.000 0.755 135 L CB -0.739 41.325 42.059 0.009 0.000 0.904 135 L HN 0.530 nan 8.230 nan 0.000 0.435 136 D N 0.542 121.022 120.400 0.133 0.000 2.144 136 D HA -0.187 4.453 4.640 -0.000 0.000 0.199 136 D C 2.384 178.743 176.300 0.099 0.000 0.984 136 D CA 1.991 56.069 54.000 0.130 0.000 0.834 136 D CB -0.423 40.439 40.800 0.104 0.000 0.955 136 D HN 0.409 nan 8.370 nan 0.000 0.465 137 K N 0.071 120.522 120.400 0.084 0.000 2.097 137 K HA 0.187 4.507 4.320 -0.000 0.000 0.206 137 K C 2.322 178.970 176.600 0.080 0.000 1.049 137 K CA 1.154 57.483 56.287 0.069 0.000 0.933 137 K CB -0.864 31.670 32.500 0.057 0.000 0.717 137 K HN 0.546 nan 8.250 nan 0.000 0.442 138 L N -0.340 120.946 121.223 0.105 0.000 2.056 138 L HA -0.065 4.275 4.340 -0.000 0.000 0.207 138 L C 2.991 179.920 176.870 0.098 0.000 1.078 138 L CA 1.363 56.272 54.840 0.115 0.000 0.749 138 L CB -0.240 41.911 42.059 0.154 0.000 0.901 138 L HN 0.419 nan 8.230 nan 0.000 0.433 139 R N 0.956 121.519 120.500 0.104 0.000 2.091 139 R HA -0.189 4.151 4.340 -0.000 0.000 0.238 139 R C 2.072 178.409 176.300 0.061 0.000 1.136 139 R CA 1.497 57.647 56.100 0.083 0.000 0.959 139 R CB -0.037 30.319 30.300 0.093 0.000 0.856 139 R HN 0.291 nan 8.270 nan 0.000 0.437 140 K N 0.020 120.457 120.400 0.061 0.000 2.442 140 K HA -0.123 4.197 4.320 -0.000 0.000 0.198 140 K C 1.608 178.232 176.600 0.040 0.000 1.042 140 K CA 0.968 57.283 56.287 0.046 0.000 0.958 140 K CB 0.133 32.659 32.500 0.044 0.000 0.766 140 K HN 0.405 nan 8.250 nan 0.000 0.474 141 Q N -0.463 119.365 119.800 0.048 0.000 2.319 141 Q HA 0.082 4.422 4.340 -0.000 0.000 0.202 141 Q C -0.146 175.878 176.000 0.041 0.000 0.896 141 Q CA -0.144 55.684 55.803 0.042 0.000 0.942 141 Q CB 0.641 29.408 28.738 0.049 0.000 1.083 141 Q HN 0.189 nan 8.270 nan 0.000 0.510 142 C N 3.111 122.436 119.300 0.043 0.000 2.394 142 C HA 0.333 4.793 4.460 -0.000 0.000 0.362 142 C C -1.867 173.141 174.990 0.030 0.000 1.268 142 C CA -1.649 57.392 59.018 0.039 0.000 1.828 142 C CB -0.255 27.508 27.740 0.038 0.000 2.442 142 C HN 0.252 nan 8.230 nan 0.000 0.549 143 P HA 0.001 nan 4.420 nan 0.000 0.267 143 P C 0.539 177.851 177.300 0.020 0.000 1.201 143 P CA 0.434 63.548 63.100 0.022 0.000 0.775 143 P CB 0.569 32.283 31.700 0.023 0.000 0.854 144 D N 1.322 121.732 120.400 0.016 0.000 2.182 144 D HA -0.194 4.446 4.640 -0.000 0.000 0.201 144 D C 0.699 177.008 176.300 0.014 0.000 0.986 144 D CA 1.397 55.405 54.000 0.014 0.000 0.847 144 D CB -0.193 40.613 40.800 0.011 0.000 0.942 144 D HN 0.414 nan 8.370 nan 0.000 0.467 145 D N -1.093 119.317 120.400 0.017 0.000 2.370 145 D HA 0.016 4.656 4.640 -0.000 0.000 0.230 145 D C -0.249 176.067 176.300 0.025 0.000 1.143 145 D CA -0.187 53.825 54.000 0.020 0.000 0.834 145 D CB -0.716 40.096 40.800 0.020 0.000 0.944 145 D HN -0.107 nan 8.370 nan 0.000 0.504 146 T N 0.862 115.431 114.554 0.024 0.000 2.902 146 T HA 0.027 4.377 4.350 -0.000 0.000 0.301 146 T C 1.025 175.742 174.700 0.028 0.000 1.012 146 T CA 0.158 62.275 62.100 0.028 0.000 1.151 146 T CB 1.332 70.215 68.868 0.025 0.000 0.946 146 T HN 0.183 nan 8.240 nan 0.000 0.542 147 Q N 1.350 121.173 119.800 0.038 0.000 2.392 147 Q HA 0.382 4.722 4.340 -0.000 0.000 0.219 147 Q C 0.260 176.287 176.000 0.046 0.000 0.895 147 Q CA 0.024 55.855 55.803 0.047 0.000 0.929 147 Q CB 0.950 29.727 28.738 0.065 0.000 1.077 147 Q HN 0.435 nan 8.270 nan 0.000 0.532 148 V N 0.295 120.226 119.914 0.028 0.000 3.147 148 V HA 0.331 4.451 4.120 -0.000 0.000 0.299 148 V C -2.006 174.073 176.094 -0.024 0.000 1.302 148 V CA -0.914 61.381 62.300 -0.008 0.000 1.015 148 V CB 2.287 34.108 31.823 -0.002 0.000 1.086 148 V HN -0.014 nan 8.190 nan 0.000 0.437 149 I N 5.955 126.488 120.570 -0.062 0.000 2.362 149 I HA 0.506 4.676 4.170 -0.000 0.000 0.289 149 I C -0.198 175.867 176.117 -0.086 0.000 0.994 149 I CA -0.345 60.922 61.300 -0.054 0.000 1.158 149 I CB 1.336 39.302 38.000 -0.057 0.000 1.315 149 I HN 0.458 nan 8.210 nan 0.000 0.451 150 I N 5.376 125.907 120.570 -0.065 0.000 2.355 150 I HA 0.434 4.604 4.170 -0.000 0.000 0.288 150 I C 0.624 176.677 176.117 -0.107 0.000 0.999 150 I CA -0.410 60.836 61.300 -0.090 0.000 1.163 150 I CB 1.897 39.854 38.000 -0.072 0.000 1.316 150 I HN 0.618 nan 8.210 nan 0.000 0.454 151 G N 5.847 114.570 108.800 -0.127 0.000 2.335 151 G HA2 0.602 4.562 3.960 -0.000 0.000 0.316 151 G HA3 0.602 4.562 3.960 -0.000 0.000 0.316 151 G C -0.816 173.981 174.900 -0.171 0.000 1.129 151 G CA -0.320 44.688 45.100 -0.153 0.000 0.899 151 G HN 0.346 nan 8.290 nan 0.000 0.448 152 V N 2.054 121.833 119.914 -0.224 0.000 2.483 152 V HA 0.946 5.066 4.120 -0.000 0.000 0.297 152 V C 0.694 176.670 176.094 -0.197 0.000 1.027 152 V CA 0.506 62.666 62.300 -0.234 0.000 0.855 152 V CB 0.550 32.144 31.823 -0.382 0.000 0.995 152 V HN 1.527 nan 8.190 nan 0.000 0.424 153 G N 3.581 112.307 108.800 -0.124 0.000 2.288 153 G HA2 0.411 4.371 3.960 -0.000 0.000 0.227 153 G HA3 0.411 4.371 3.960 -0.000 0.000 0.227 153 G C -0.004 174.855 174.900 -0.068 0.000 1.339 153 G CA 0.024 45.064 45.100 -0.099 0.000 1.057 153 G HN 1.077 nan 8.290 nan 0.000 0.470 154 G N -0.821 107.954 108.800 -0.043 0.000 2.525 154 G HA2 0.564 4.524 3.960 -0.000 0.000 0.287 154 G HA3 0.564 4.524 3.960 -0.000 0.000 0.287 154 G C 1.480 176.384 174.900 0.006 0.000 1.350 154 G CA 0.674 45.775 45.100 0.001 0.000 1.039 154 G HN 1.772 nan 8.290 nan 0.000 0.513 155 G N -0.487 108.342 108.800 0.048 0.000 2.469 155 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.219 155 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.219 155 G C 1.687 176.597 174.900 0.017 0.000 1.150 155 G CA 1.241 46.363 45.100 0.036 0.000 0.763 155 G HN 0.567 nan 8.290 nan 0.000 0.561 156 K N -0.326 120.109 120.400 0.059 0.000 2.097 156 K HA -0.035 4.285 4.320 -0.000 0.000 0.205 156 K C 2.786 179.233 176.600 -0.256 0.000 1.050 156 K CA 1.486 57.810 56.287 0.061 0.000 0.938 156 K CB -0.243 32.442 32.500 0.309 0.000 0.718 156 K HN 0.227 nan 8.250 nan 0.000 0.442 157 T N 1.474 115.821 114.554 -0.346 0.000 2.777 157 T HA -0.082 4.268 4.350 -0.000 0.000 0.266 157 T C 1.880 176.350 174.700 -0.384 0.000 1.040 157 T CA 1.170 62.873 62.100 -0.661 0.000 1.141 157 T CB -0.069 68.590 68.868 -0.350 0.000 0.868 157 T HN 0.152 nan 8.240 nan 0.000 0.444 158 M N 1.094 120.576 119.600 -0.198 0.000 2.086 158 M HA -0.110 4.370 4.480 -0.000 0.000 0.261 158 M C 2.031 178.276 176.300 -0.092 0.000 1.067 158 M CA 1.441 56.668 55.300 -0.122 0.000 1.116 158 M CB -0.452 32.113 32.600 -0.059 0.000 1.348 158 M HN 0.100 nan 8.290 nan 0.000 0.407 159 D N 0.009 120.372 120.400 -0.061 0.000 2.178 159 D HA -0.082 4.558 4.640 -0.000 0.000 0.202 159 D C 2.081 178.392 176.300 0.017 0.000 0.974 159 D CA 1.154 55.166 54.000 0.019 0.000 0.841 159 D CB -0.065 40.766 40.800 0.052 0.000 0.953 159 D HN 0.243 nan 8.370 nan 0.000 0.478 160 S N 0.526 116.156 115.700 -0.116 0.000 2.368 160 S HA -0.097 4.373 4.470 -0.000 0.000 0.224 160 S C 2.127 176.710 174.600 -0.027 0.000 1.029 160 S CA 0.981 59.121 58.200 -0.101 0.000 0.988 160 S CB -0.070 62.896 63.200 -0.390 0.000 0.838 160 S HN 0.344 nan 8.310 nan 0.000 0.462 161 A N 1.931 124.686 122.820 -0.109 0.000 1.902 161 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 161 A C 2.035 179.575 177.584 -0.073 0.000 1.181 161 A CA 1.515 53.501 52.037 -0.085 0.000 0.623 161 A CB -0.448 18.479 19.000 -0.122 0.000 0.818 161 A HN 0.453 nan 8.150 nan 0.000 0.443 162 K N -1.804 118.539 120.400 -0.094 0.000 2.057 162 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 162 K C 1.995 178.458 176.600 -0.228 0.000 1.049 162 K CA 1.731 57.881 56.287 -0.227 0.000 0.931 162 K CB -0.398 31.949 32.500 -0.255 0.000 0.714 162 K HN 0.605 nan 8.250 nan 0.000 0.440 163 Y N 1.668 121.923 120.300 -0.075 0.000 2.145 163 Y HA -0.203 4.347 4.550 -0.000 0.000 0.286 163 Y C 1.912 177.859 175.900 0.078 0.000 1.145 163 Y CA 1.460 59.624 58.100 0.105 0.000 1.148 163 Y CB -0.103 38.450 38.460 0.156 0.000 0.981 163 Y HN -0.067 nan 8.280 nan 0.000 0.507 164 I N -0.113 120.554 120.570 0.163 0.000 2.226 164 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 164 I C 2.649 178.743 176.117 -0.039 0.000 1.100 164 I CA 1.145 62.490 61.300 0.074 0.000 1.374 164 I CB -0.744 37.316 38.000 0.100 0.000 1.057 164 I HN 0.325 nan 8.210 nan 0.000 0.413 165 A N 0.240 123.021 122.820 -0.064 0.000 1.902 165 A HA -0.308 4.012 4.320 -0.000 0.000 0.217 165 A C 2.212 179.731 177.584 -0.108 0.000 1.181 165 A CA 2.179 54.160 52.037 -0.093 0.000 0.623 165 A CB -0.989 17.935 19.000 -0.127 0.000 0.818 165 A HN 0.532 nan 8.150 nan 0.000 0.443 166 H N 0.021 118.947 119.070 -0.241 0.000 2.353 166 H HA -0.034 4.522 4.556 -0.000 0.000 0.300 166 H C 2.393 177.624 175.328 -0.160 0.000 1.090 166 H CA 2.340 58.261 56.048 -0.210 0.000 1.327 166 H CB -0.371 29.245 29.762 -0.243 0.000 1.383 166 H HN 0.447 nan 8.280 nan 0.000 0.508 167 S N 0.256 115.782 115.700 -0.291 0.000 2.382 167 S HA -0.107 4.363 4.470 -0.000 0.000 0.228 167 S C 2.030 176.512 174.600 -0.198 0.000 1.027 167 S CA 1.654 59.679 58.200 -0.291 0.000 0.991 167 S CB -0.369 62.682 63.200 -0.248 0.000 0.823 167 S HN 0.495 nan 8.310 nan 0.000 0.469 168 M N 0.419 119.933 119.600 -0.144 0.000 2.495 168 M HA 0.155 4.635 4.480 -0.000 0.000 0.237 168 M C 0.460 176.702 176.300 -0.096 0.000 1.131 168 M CA -0.057 55.188 55.300 -0.092 0.000 1.032 168 M CB -0.151 32.419 32.600 -0.051 0.000 1.513 168 M HN 0.535 nan 8.290 nan 0.000 0.488 169 N N 1.897 120.510 118.700 -0.144 0.000 2.738 169 N HA -0.166 4.574 4.740 -0.000 0.000 0.249 169 N C -1.424 174.050 175.510 -0.059 0.000 1.047 169 N CA -0.023 52.960 53.050 -0.112 0.000 0.707 169 N CB -0.518 37.916 38.487 -0.088 0.000 0.937 169 N HN 0.346 nan 8.380 nan 0.000 0.545 170 L N 0.278 121.464 121.223 -0.061 0.000 2.323 170 L HA 0.686 5.026 4.340 -0.000 0.000 0.265 170 L C -1.923 174.913 176.870 -0.057 0.000 1.012 170 L CA -1.794 53.023 54.840 -0.038 0.000 0.820 170 L CB 1.803 43.841 42.059 -0.035 0.000 1.334 170 L HN -0.003 nan 8.230 nan 0.000 0.427 171 P HA 0.152 nan 4.420 nan 0.000 0.274 171 P C -1.187 175.982 177.300 -0.218 0.000 1.246 171 P CA -0.327 62.689 63.100 -0.140 0.000 0.795 171 P CB 1.318 32.941 31.700 -0.130 0.000 1.006 172 S N 0.253 115.769 115.700 -0.305 0.000 2.542 172 S HA 0.729 5.199 4.470 -0.000 0.000 0.293 172 S C -0.463 173.912 174.600 -0.376 0.000 1.089 172 S CA -0.892 57.140 58.200 -0.280 0.000 0.961 172 S CB 1.116 64.185 63.200 -0.219 0.000 1.062 172 S HN 0.325 nan 8.310 nan 0.000 0.483 173 I N 2.539 122.934 120.570 -0.291 0.000 2.439 173 I HA 0.370 4.540 4.170 -0.000 0.000 0.285 173 I C -1.089 174.938 176.117 -0.151 0.000 1.021 173 I CA -0.816 60.318 61.300 -0.276 0.000 1.091 173 I CB 1.599 39.444 38.000 -0.258 0.000 1.242 173 I HN 0.520 nan 8.210 nan 0.000 0.439 174 I N 5.708 126.213 120.570 -0.109 0.000 2.339 174 I HA 0.263 4.433 4.170 -0.000 0.000 0.290 174 I C -0.346 175.772 176.117 0.002 0.000 0.994 174 I CA -0.516 60.747 61.300 -0.061 0.000 1.191 174 I CB 1.302 39.272 38.000 -0.051 0.000 1.343 174 I HN 0.571 nan 8.210 nan 0.000 0.458 175 C N 7.870 127.169 119.300 -0.001 0.000 2.409 175 C HA 0.367 4.827 4.460 -0.000 0.000 0.297 175 C C -2.248 172.762 174.990 0.034 0.000 1.083 175 C CA -1.511 57.543 59.018 0.060 0.000 1.515 175 C CB 0.398 28.163 27.740 0.043 0.000 1.869 175 C HN 0.490 nan 8.230 nan 0.000 0.413 176 P HA 0.165 nan 4.420 nan 0.000 0.271 176 P C 0.980 178.274 177.300 -0.010 0.000 1.216 176 P CA 0.410 63.508 63.100 -0.004 0.000 0.776 176 P CB 0.696 32.398 31.700 0.004 0.000 0.881 177 T N -2.210 112.318 114.554 -0.043 0.000 3.069 177 T HA 0.175 4.525 4.350 -0.000 0.000 0.252 177 T C 0.523 175.146 174.700 -0.129 0.000 1.053 177 T CA 0.158 62.216 62.100 -0.071 0.000 0.964 177 T CB -0.535 68.281 68.868 -0.086 0.000 1.005 177 T HN 0.542 nan 8.240 nan 0.000 0.532 178 T N -1.733 112.754 114.554 -0.113 0.000 2.843 178 T HA 0.719 5.069 4.350 -0.000 0.000 0.302 178 T C -0.774 173.927 174.700 0.003 0.000 1.232 178 T CA -0.577 61.461 62.100 -0.104 0.000 1.009 178 T CB 1.685 70.389 68.868 -0.274 0.000 1.254 178 T HN 0.159 nan 8.240 nan 0.000 0.504 179 A N 1.237 124.093 122.820 0.060 0.000 3.290 179 A HA 0.549 4.869 4.320 -0.000 0.000 0.297 179 A C 1.299 178.956 177.584 0.122 0.000 1.285 179 A CA -0.045 52.030 52.037 0.064 0.000 1.060 179 A CB -0.820 18.186 19.000 0.009 0.000 1.114 179 A HN 1.126 nan 8.150 nan 0.000 0.601 180 S N -0.592 115.206 115.700 0.163 0.000 2.548 180 S HA 0.285 4.755 4.470 -0.000 0.000 0.215 180 S C 0.687 175.386 174.600 0.166 0.000 0.976 180 S CA 0.503 58.829 58.200 0.210 0.000 0.908 180 S CB -0.365 63.044 63.200 0.349 0.000 0.781 180 S HN 1.405 nan 8.310 nan 0.000 0.519 181 S N 0.860 116.638 115.700 0.130 0.000 2.636 181 S HA 0.453 4.923 4.470 -0.000 0.000 0.268 181 S C -1.543 173.110 174.600 0.090 0.000 1.159 181 S CA -0.300 57.971 58.200 0.118 0.000 0.815 181 S CB 0.871 64.118 63.200 0.079 0.000 1.130 181 S HN 0.163 nan 8.310 nan 0.000 0.471 182 D N 0.017 120.463 120.400 0.075 0.000 2.427 182 D HA 0.474 5.114 4.640 -0.000 0.000 0.224 182 D C 1.317 177.709 176.300 0.153 0.000 1.157 182 D CA 0.112 54.181 54.000 0.115 0.000 0.828 182 D CB 0.199 41.088 40.800 0.148 0.000 0.974 182 D HN 0.647 nan 8.370 nan 0.000 0.498 183 A N 0.650 123.518 122.820 0.080 0.000 2.014 183 A HA 0.235 4.555 4.320 -0.000 0.000 0.218 183 A C 2.334 179.985 177.584 0.112 0.000 1.163 183 A CA 1.107 53.199 52.037 0.091 0.000 0.652 183 A CB -0.631 18.380 19.000 0.017 0.000 0.808 183 A HN 0.346 nan 8.150 nan 0.000 0.449 184 A N 0.251 123.128 122.820 0.095 0.000 1.881 184 A HA -0.266 4.054 4.320 -0.000 0.000 0.219 184 A C 2.437 180.071 177.584 0.084 0.000 1.215 184 A CA 3.005 55.090 52.037 0.081 0.000 0.648 184 A CB -1.565 17.491 19.000 0.093 0.000 0.832 184 A HN 0.900 nan 8.150 nan 0.000 0.455 185 T N -1.607 113.013 114.554 0.111 0.000 3.088 185 T HA 0.150 4.500 4.350 -0.000 0.000 0.259 185 T C 1.006 175.734 174.700 0.045 0.000 1.122 185 T CA 0.790 62.938 62.100 0.079 0.000 1.095 185 T CB -0.859 68.054 68.868 0.074 0.000 0.930 185 T HN 0.767 nan 8.240 nan 0.000 0.508 186 S N 0.925 116.681 115.700 0.093 0.000 2.585 186 S HA 0.313 4.783 4.470 -0.000 0.000 0.273 186 S C 0.845 175.503 174.600 0.096 0.000 1.339 186 S CA -0.596 57.657 58.200 0.088 0.000 1.028 186 S CB 1.249 64.610 63.200 0.268 0.000 0.906 186 S HN 0.207 nan 8.310 nan 0.000 0.528 187 S N 1.108 116.869 115.700 0.101 0.000 2.575 187 S HA 0.234 4.704 4.470 -0.000 0.000 0.215 187 S C 0.441 175.164 174.600 0.204 0.000 0.966 187 S CA -0.488 57.820 58.200 0.181 0.000 0.911 187 S CB -0.947 62.359 63.200 0.177 0.000 0.780 187 S HN 0.706 nan 8.310 nan 0.000 0.514 188 L N -1.427 119.837 121.223 0.067 0.000 2.330 188 L HA 0.847 5.187 4.340 -0.000 0.000 0.271 188 L C -0.550 176.337 176.870 0.028 0.000 1.013 188 L CA -0.668 54.090 54.840 -0.136 0.000 0.816 188 L CB 1.773 43.547 42.059 -0.477 0.000 1.287 188 L HN -0.269 nan 8.230 nan 0.000 0.435 189 S N 0.990 116.683 115.700 -0.013 0.000 2.594 189 S HA 0.661 5.131 4.470 -0.000 0.000 0.296 189 S C 0.030 174.677 174.600 0.078 0.000 1.124 189 S CA -0.559 57.689 58.200 0.080 0.000 1.011 189 S CB 1.704 64.984 63.200 0.133 0.000 1.016 189 S HN 0.821 nan 8.310 nan 0.000 0.485 190 V N 4.072 124.069 119.914 0.138 0.000 2.599 190 V HA 0.359 4.479 4.120 -0.000 0.000 0.300 190 V C -0.052 176.037 176.094 -0.009 0.000 1.034 190 V CA 0.377 62.760 62.300 0.137 0.000 1.115 190 V CB -0.025 31.925 31.823 0.212 0.000 0.934 190 V HN 0.694 nan 8.190 nan 0.000 0.485 191 I N 5.674 126.144 120.570 -0.166 0.000 2.330 191 I HA 0.650 4.820 4.170 -0.000 0.000 0.289 191 I C 0.192 176.159 176.117 -0.250 0.000 1.001 191 I CA -0.279 60.908 61.300 -0.187 0.000 1.193 191 I CB 0.088 37.962 38.000 -0.211 0.000 1.345 191 I HN 0.824 nan 8.210 nan 0.000 0.461 198 F N 2.389 122.312 119.950 -0.046 0.000 2.563 198 F HA 0.455 4.982 4.527 -0.000 0.000 0.363 198 F C 1.086 176.844 175.800 -0.070 0.000 1.123 198 F CA 1.709 59.671 58.000 -0.063 0.000 1.307 198 F CB 1.060 40.018 39.000 -0.069 0.000 1.115 198 F HN 0.965 nan 8.300 nan 0.000 0.592 199 Q N 3.594 122.829 119.800 -0.942 0.000 2.619 199 Q HA 0.606 4.946 4.340 -0.000 0.000 0.230 199 Q C 0.461 175.913 176.000 -0.914 0.000 0.871 199 Q CA 0.956 56.384 55.803 -0.625 0.000 0.934 199 Q CB -0.355 28.166 28.738 -0.362 0.000 1.183 199 Q HN 1.049 nan 8.270 nan 0.000 0.631 200 K N -1.096 118.514 120.400 -1.317 0.000 2.672 200 K HA 0.688 5.008 4.320 -0.000 0.000 0.295 200 K C -1.841 174.372 176.600 -0.645 0.000 1.042 200 K CA -0.480 55.331 56.287 -0.792 0.000 0.869 200 K CB 0.292 32.638 32.500 -0.255 0.000 1.541 200 K HN 0.471 nan 8.250 nan 0.000 0.396 201 Y N 0.807 121.112 120.300 0.007 0.000 2.330 201 Y HA 0.631 5.181 4.550 0.000 0.000 0.336 201 Y C 1.146 176.985 175.900 -0.101 0.000 1.036 201 Y CA -0.263 57.821 58.100 -0.027 0.000 1.125 201 Y CB 1.969 40.438 38.460 0.015 0.000 1.194 201 Y HN 0.907 nan 8.280 nan 0.000 0.469 202 S N 3.611 119.273 115.700 -0.064 0.000 2.442 202 S HA 0.690 5.160 4.470 -0.000 0.000 0.297 202 S C -1.010 173.409 174.600 -0.302 0.000 1.131 202 S CA -0.489 57.640 58.200 -0.119 0.000 1.092 202 S CB -0.077 63.005 63.200 -0.198 0.000 0.998 202 S HN 0.425 nan 8.310 nan 0.000 0.478 203 F N 3.206 123.092 119.950 -0.107 0.000 2.361 203 F HA 0.403 4.930 4.527 -0.000 0.000 0.364 203 F C -0.216 175.473 175.800 -0.185 0.000 1.117 203 F CA -0.630 57.325 58.000 -0.074 0.000 1.071 203 F CB 0.673 39.719 39.000 0.077 0.000 1.188 203 F HN 0.513 nan 8.300 nan 0.000 0.464 204 Y N 4.575 124.908 120.300 0.055 0.000 2.379 204 Y HA 0.155 4.705 4.550 -0.000 0.000 0.337 204 Y C -0.936 174.969 175.900 0.007 0.000 1.238 204 Y CA -1.707 56.340 58.100 -0.089 0.000 1.405 204 Y CB 0.224 38.600 38.460 -0.141 0.000 1.310 204 Y HN 0.405 nan 8.280 nan 0.000 0.569 205 P HA -0.073 nan 4.420 nan 0.000 0.222 205 P C -0.462 176.899 177.300 0.101 0.000 1.147 205 P CA 1.451 64.620 63.100 0.114 0.000 0.790 205 P CB 0.715 32.488 31.700 0.121 0.000 0.780 206 L N -1.358 119.937 121.223 0.119 0.000 2.376 206 L HA 0.376 4.716 4.340 -0.000 0.000 0.258 206 L C -0.109 176.798 176.870 0.061 0.000 1.013 206 L CA -1.251 53.634 54.840 0.075 0.000 0.822 206 L CB 1.710 43.806 42.059 0.062 0.000 1.388 206 L HN -0.317 nan 8.230 nan 0.000 0.413 207 N N 0.560 119.278 118.700 0.030 0.000 2.483 207 N HA 0.358 5.098 4.740 -0.000 0.000 0.269 207 N C -2.549 172.942 175.510 -0.031 0.000 1.209 207 N CA -1.032 52.022 53.050 0.008 0.000 0.969 207 N CB 0.271 38.754 38.487 -0.007 0.000 1.173 207 N HN 0.292 nan 8.380 nan 0.000 0.475 208 P HA 0.054 nan 4.420 nan 0.000 0.267 208 P C -0.232 176.993 177.300 -0.126 0.000 1.200 208 P CA 0.121 63.149 63.100 -0.120 0.000 0.772 208 P CB 0.529 32.166 31.700 -0.104 0.000 0.855 209 N N 1.159 119.716 118.700 -0.237 0.000 2.171 209 N HA -0.000 4.740 4.740 -0.000 0.000 0.184 209 N C 0.113 175.443 175.510 -0.300 0.000 1.021 209 N CA 0.940 53.827 53.050 -0.271 0.000 0.854 209 N CB -0.216 37.926 38.487 -0.575 0.000 0.994 209 N HN 0.261 nan 8.380 nan 0.000 0.426 210 L N -0.053 120.895 121.223 -0.458 0.000 2.438 210 L HA 0.518 4.858 4.340 -0.000 0.000 0.270 210 L C -1.800 174.975 176.870 -0.159 0.000 0.972 210 L CA -0.808 53.848 54.840 -0.308 0.000 0.831 210 L CB 1.481 43.210 42.059 -0.550 0.000 1.273 210 L HN -0.151 nan 8.230 nan 0.000 0.405 211 I N 5.829 126.371 120.570 -0.047 0.000 2.330 211 I HA 0.381 4.551 4.170 -0.000 0.000 0.289 211 I C -1.057 175.025 176.117 -0.060 0.000 1.001 211 I CA -0.034 61.257 61.300 -0.014 0.000 1.193 211 I CB 1.129 39.190 38.000 0.102 0.000 1.345 211 I HN 0.427 nan 8.210 nan 0.000 0.461 212 F N 8.315 128.152 119.950 -0.187 0.000 2.403 212 F HA 0.620 5.147 4.527 -0.000 0.000 0.355 212 F C -0.553 175.199 175.800 -0.081 0.000 1.119 212 F CA -1.395 56.506 58.000 -0.165 0.000 1.007 212 F CB 0.769 39.746 39.000 -0.038 0.000 1.194 212 F HN 0.192 nan 8.300 nan 0.000 0.443 213 I N 5.372 125.743 120.570 -0.331 0.000 2.389 213 I HA 0.226 4.396 4.170 -0.000 0.000 0.288 213 I C -0.805 174.945 176.117 -0.613 0.000 0.999 213 I CA -0.752 60.303 61.300 -0.409 0.000 1.129 213 I CB 1.686 39.506 38.000 -0.300 0.000 1.288 213 I HN 0.353 nan 8.210 nan 0.000 0.444 214 D N 4.987 124.863 120.400 -0.875 0.000 2.412 214 D HA 0.109 4.749 4.640 -0.000 0.000 0.224 214 D C 1.228 177.206 176.300 -0.537 0.000 1.093 214 D CA -0.280 53.155 54.000 -0.941 0.000 0.850 214 D CB 1.464 41.204 40.800 -1.768 0.000 1.046 214 D HN 0.672 nan 8.370 nan 0.000 0.507 215 T N 0.419 114.776 114.554 -0.329 0.000 3.051 215 T HA -0.146 4.204 4.350 -0.000 0.000 0.269 215 T C 1.299 175.922 174.700 -0.129 0.000 1.127 215 T CA 0.720 62.749 62.100 -0.117 0.000 1.107 215 T CB 0.109 68.989 68.868 0.019 0.000 0.898 215 T HN 0.291 nan 8.240 nan 0.000 0.517 216 D N 0.755 120.964 120.400 -0.318 0.000 2.183 216 D HA -0.031 4.609 4.640 -0.000 0.000 0.203 216 D C 1.978 178.152 176.300 -0.210 0.000 0.969 216 D CA 0.473 54.276 54.000 -0.329 0.000 0.842 216 D CB -0.090 40.379 40.800 -0.553 0.000 0.957 216 D HN 0.266 nan 8.370 nan 0.000 0.484 217 V N 0.800 120.568 119.914 -0.243 0.000 2.323 217 V HA -0.167 3.953 4.120 -0.000 0.000 0.244 217 V C 2.318 178.348 176.094 -0.105 0.000 1.041 217 V CA 0.849 63.048 62.300 -0.169 0.000 1.025 217 V CB -0.324 31.366 31.823 -0.220 0.000 0.656 217 V HN 0.314 nan 8.190 nan 0.000 0.451 218 I N -0.061 120.462 120.570 -0.077 0.000 2.226 218 I HA -0.180 3.990 4.170 -0.000 0.000 0.245 218 I C 2.583 178.797 176.117 0.161 0.000 1.100 218 I CA 1.574 62.908 61.300 0.057 0.000 1.374 218 I CB -1.192 36.877 38.000 0.115 0.000 1.057 218 I HN 0.222 nan 8.210 nan 0.000 0.413 219 V N 1.224 121.184 119.914 0.076 0.000 2.759 219 V HA -0.174 3.946 4.120 -0.000 0.000 0.256 219 V C 2.522 178.526 176.094 -0.150 0.000 1.080 219 V CA 1.442 63.599 62.300 -0.239 0.000 1.101 219 V CB -0.473 31.000 31.823 -0.584 0.000 0.698 219 V HN 0.355 nan 8.190 nan 0.000 0.477 220 R N 0.106 120.556 120.500 -0.084 0.000 2.275 220 R HA 0.268 4.608 4.340 -0.000 0.000 0.199 220 R C 0.992 177.281 176.300 -0.019 0.000 0.989 220 R CA 0.502 56.569 56.100 -0.056 0.000 1.016 220 R CB -0.087 30.183 30.300 -0.050 0.000 0.918 220 R HN 0.528 nan 8.270 nan 0.000 0.473 221 A N 2.202 125.018 122.820 -0.007 0.000 2.332 221 A HA 0.339 4.659 4.320 -0.000 0.000 0.258 221 A C -2.204 175.462 177.584 0.136 0.000 1.087 221 A CA -1.427 50.620 52.037 0.016 0.000 0.802 221 A CB 0.011 18.956 19.000 -0.092 0.000 1.042 221 A HN -0.078 nan 8.150 nan 0.000 0.489 222 P HA 0.015 nan 4.420 nan 0.000 0.265 222 P C 0.959 178.404 177.300 0.241 0.000 1.193 222 P CA -0.082 63.157 63.100 0.232 0.000 0.765 222 P CB 0.618 32.472 31.700 0.257 0.000 0.823 223 V N 4.529 124.536 119.914 0.155 0.000 2.828 223 V HA -0.241 3.879 4.120 -0.000 0.000 0.260 223 V C 2.248 178.417 176.094 0.126 0.000 1.101 223 V CA 1.718 64.124 62.300 0.176 0.000 1.123 223 V CB -0.892 31.044 31.823 0.189 0.000 0.704 223 V HN 0.531 nan 8.190 nan 0.000 0.493 224 R N -1.145 119.279 120.500 -0.125 0.000 2.127 224 R HA -0.174 4.166 4.340 -0.000 0.000 0.238 224 R C 2.074 178.293 176.300 -0.134 0.000 1.134 224 R CA 2.166 58.057 56.100 -0.347 0.000 0.975 224 R CB -0.382 29.462 30.300 -0.760 0.000 0.865 224 R HN 0.552 nan 8.270 nan 0.000 0.447 225 F N 0.475 120.433 119.950 0.013 0.000 2.102 225 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 225 F C 2.178 178.023 175.800 0.075 0.000 1.105 225 F CA 1.088 59.122 58.000 0.056 0.000 1.239 225 F CB -0.605 38.434 39.000 0.065 0.000 0.991 225 F HN 0.070 nan 8.300 nan 0.000 0.474 226 L N 0.343 121.738 121.223 0.287 0.000 2.046 226 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 226 L C 2.086 179.049 176.870 0.155 0.000 1.077 226 L CA 1.725 56.691 54.840 0.210 0.000 0.747 226 L CB -0.710 41.495 42.059 0.243 0.000 0.896 226 L HN 0.137 nan 8.230 nan 0.000 0.432 227 I N -1.272 119.390 120.570 0.152 0.000 2.286 227 I HA -0.294 3.876 4.170 -0.000 0.000 0.248 227 I C 2.669 178.830 176.117 0.074 0.000 1.115 227 I CA 1.446 62.821 61.300 0.125 0.000 1.392 227 I CB -0.516 37.600 38.000 0.193 0.000 1.065 227 I HN 0.374 nan 8.210 nan 0.000 0.418 228 S N 0.899 116.638 115.700 0.064 0.000 2.368 228 S HA -0.142 4.328 4.470 -0.000 0.000 0.225 228 S C 2.144 176.776 174.600 0.054 0.000 1.030 228 S CA 1.652 59.869 58.200 0.029 0.000 0.999 228 S CB -0.636 62.585 63.200 0.034 0.000 0.844 228 S HN 0.549 nan 8.310 nan 0.000 0.459 229 G N 1.234 110.093 108.800 0.097 0.000 2.422 229 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.218 229 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.218 229 G C 1.412 176.355 174.900 0.071 0.000 1.146 229 G CA 0.858 46.015 45.100 0.095 0.000 0.769 229 G HN 0.584 nan 8.290 nan 0.000 0.547 230 I N 1.189 121.801 120.570 0.069 0.000 2.315 230 I HA -0.058 4.112 4.170 -0.000 0.000 0.248 230 I C 3.036 179.185 176.117 0.052 0.000 1.117 230 I CA 0.850 62.195 61.300 0.074 0.000 1.404 230 I CB -0.330 37.718 38.000 0.081 0.000 1.071 230 I HN 0.244 nan 8.210 nan 0.000 0.419 231 G N 0.220 109.027 108.800 0.011 0.000 2.422 231 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.218 231 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.218 231 G C 1.347 176.214 174.900 -0.055 0.000 1.146 231 G CA 1.033 46.109 45.100 -0.041 0.000 0.769 231 G HN 0.287 nan 8.290 nan 0.000 0.547 232 D N 0.668 121.049 120.400 -0.031 0.000 2.123 232 D HA 0.076 4.716 4.640 -0.000 0.000 0.200 232 D C 2.754 179.075 176.300 0.034 0.000 0.976 232 D CA 1.112 55.103 54.000 -0.015 0.000 0.831 232 D CB -0.333 40.509 40.800 0.071 0.000 0.974 232 D HN 0.215 nan 8.370 nan 0.000 0.469 233 A N 0.272 123.122 122.820 0.050 0.000 1.969 233 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 233 A C 2.430 180.056 177.584 0.070 0.000 1.169 233 A CA 0.716 52.792 52.037 0.066 0.000 0.635 233 A CB -0.715 18.327 19.000 0.070 0.000 0.810 233 A HN 0.337 nan 8.150 nan 0.000 0.445 234 L N 0.446 121.706 121.223 0.060 0.000 2.131 234 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 234 L C 2.926 179.834 176.870 0.064 0.000 1.092 234 L CA 1.569 56.445 54.840 0.060 0.000 0.759 234 L CB -0.350 41.741 42.059 0.053 0.000 0.903 234 L HN 0.642 nan 8.230 nan 0.000 0.435 235 S N -2.091 113.631 115.700 0.037 0.000 2.461 235 S HA -0.122 4.348 4.470 -0.000 0.000 0.228 235 S C 1.854 176.482 174.600 0.046 0.000 1.005 235 S CA 1.089 59.307 58.200 0.030 0.000 0.942 235 S CB -0.409 62.813 63.200 0.036 0.000 0.776 235 S HN 0.319 nan 8.310 nan 0.000 0.514 236 T N 1.022 115.618 114.554 0.068 0.000 2.635 236 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 236 T C 1.125 175.887 174.700 0.103 0.000 1.040 236 T CA 1.733 63.876 62.100 0.072 0.000 1.156 236 T CB -0.651 68.284 68.868 0.112 0.000 0.863 236 T HN 0.734 nan 8.240 nan 0.000 0.430 237 W N 1.596 122.889 121.300 -0.012 0.000 2.358 237 W HA -0.141 4.519 4.660 -0.000 0.000 0.303 237 W C 2.135 178.660 176.519 0.010 0.000 1.208 237 W CA 0.653 57.991 57.345 -0.011 0.000 1.274 237 W CB -0.689 28.756 29.460 -0.025 0.000 1.138 237 W HN -0.028 nan 8.180 nan 0.000 0.515 238 V N 0.981 120.941 119.914 0.077 0.000 2.261 238 V HA -0.323 3.797 4.120 -0.000 0.000 0.246 238 V C 2.189 178.178 176.094 -0.176 0.000 1.047 238 V CA 2.491 64.738 62.300 -0.087 0.000 1.015 238 V CB -0.979 30.865 31.823 0.036 0.000 0.642 238 V HN 0.206 nan 8.190 nan 0.000 0.446 239 E N -0.327 119.803 120.200 -0.115 0.000 2.047 239 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 239 E C 2.318 178.831 176.600 -0.146 0.000 0.987 239 E CA 1.696 58.021 56.400 -0.126 0.000 0.799 239 E CB -0.331 29.290 29.700 -0.133 0.000 0.752 239 E HN 0.526 nan 8.360 nan 0.000 0.449 240 T N 1.326 115.790 114.554 -0.149 0.000 2.746 240 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 240 T C 1.643 176.234 174.700 -0.181 0.000 1.039 240 T CA 0.977 62.998 62.100 -0.131 0.000 1.142 240 T CB -0.098 68.722 68.868 -0.079 0.000 0.866 240 T HN 0.088 nan 8.240 nan 0.000 0.444 241 E N 1.316 121.311 120.200 -0.341 0.000 2.077 241 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 241 E C 2.672 179.139 176.600 -0.221 0.000 0.989 241 E CA 1.493 57.659 56.400 -0.389 0.000 0.800 241 E CB -0.478 28.751 29.700 -0.786 0.000 0.746 241 E HN 0.649 nan 8.360 nan 0.000 0.452 242 S N 0.285 115.878 115.700 -0.178 0.000 2.382 242 S HA -0.103 4.367 4.470 -0.000 0.000 0.228 242 S C 2.277 176.853 174.600 -0.040 0.000 1.027 242 S CA 1.276 59.429 58.200 -0.079 0.000 0.991 242 S CB -0.580 62.592 63.200 -0.047 0.000 0.823 242 S HN 0.045 nan 8.310 nan 0.000 0.469 243 V N 2.113 122.001 119.914 -0.043 0.000 2.307 243 V HA -0.078 4.042 4.120 -0.000 0.000 0.245 243 V C 2.503 178.600 176.094 0.004 0.000 1.045 243 V CA 1.818 64.119 62.300 0.002 0.000 1.024 243 V CB -0.704 31.127 31.823 0.014 0.000 0.651 243 V HN 0.486 nan 8.190 nan 0.000 0.449 244 I N -0.277 120.281 120.570 -0.021 0.000 2.179 244 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 244 I C 2.615 178.725 176.117 -0.011 0.000 1.088 244 I CA 1.600 62.894 61.300 -0.010 0.000 1.357 244 I CB -0.394 37.591 38.000 -0.025 0.000 1.051 244 I HN 0.206 nan 8.210 nan 0.000 0.409 245 R N 0.009 120.489 120.500 -0.032 0.000 2.280 245 R HA 0.002 4.342 4.340 -0.000 0.000 0.207 245 R C 1.894 178.191 176.300 -0.004 0.000 1.043 245 R CA 0.751 56.838 56.100 -0.023 0.000 1.006 245 R CB -0.126 30.150 30.300 -0.040 0.000 0.885 245 R HN 0.225 nan 8.270 nan 0.000 0.467 246 S N 0.379 116.082 115.700 0.004 0.000 2.556 246 S HA 0.067 4.537 4.470 -0.000 0.000 0.216 246 S C -0.096 174.517 174.600 0.021 0.000 0.970 246 S CA -0.219 57.990 58.200 0.016 0.000 0.912 246 S CB 0.131 63.346 63.200 0.027 0.000 0.790 246 S HN 0.412 nan 8.310 nan 0.000 0.504 247 N N 1.369 120.082 118.700 0.021 0.000 2.740 247 N HA -0.136 4.604 4.740 -0.000 0.000 0.248 247 N C -0.866 174.667 175.510 0.038 0.000 1.062 247 N CA 0.591 53.658 53.050 0.027 0.000 0.704 247 N CB -1.293 37.207 38.487 0.022 0.000 0.968 247 N HN 0.163 nan 8.380 nan 0.000 0.547 248 S N -0.498 115.231 115.700 0.049 0.000 2.617 248 S HA 0.415 4.885 4.470 -0.000 0.000 0.283 248 S C 0.599 175.249 174.600 0.083 0.000 1.189 248 S CA -0.771 57.469 58.200 0.065 0.000 1.036 248 S CB 1.297 64.543 63.200 0.077 0.000 1.014 248 S HN 0.186 nan 8.310 nan 0.000 0.522 249 T N 3.135 117.745 114.554 0.093 0.000 2.934 249 T HA 0.136 4.486 4.350 -0.000 0.000 0.306 249 T C 0.871 175.672 174.700 0.168 0.000 1.042 249 T CA -0.120 62.053 62.100 0.121 0.000 1.145 249 T CB 0.132 69.088 68.868 0.147 0.000 0.982 249 T HN 0.734 nan 8.240 nan 0.000 0.544 250 S N 1.884 117.689 115.700 0.175 0.000 2.634 250 S HA 0.291 4.761 4.470 -0.000 0.000 0.261 250 S C 0.667 175.476 174.600 0.349 0.000 1.271 250 S CA -0.697 57.641 58.200 0.229 0.000 0.985 250 S CB 0.182 63.470 63.200 0.147 0.000 0.968 250 S HN 0.444 nan 8.310 nan 0.000 0.568 251 F N 0.418 120.431 119.950 0.105 0.000 2.802 251 F HA 0.301 4.828 4.527 -0.000 0.000 0.300 251 F C 2.134 178.059 175.800 0.208 0.000 1.168 251 F CA 0.051 58.175 58.000 0.207 0.000 1.433 251 F CB -0.840 38.274 39.000 0.189 0.000 1.115 251 F HN 0.775 nan 8.300 nan 0.000 0.582 252 A N -1.001 121.941 122.820 0.203 0.000 2.267 252 A HA 0.489 4.809 4.320 -0.000 0.000 0.213 252 A C 1.966 179.513 177.584 -0.062 0.000 1.192 252 A CA 0.735 52.800 52.037 0.047 0.000 0.851 252 A CB -0.566 18.426 19.000 -0.013 0.000 0.881 252 A HN 0.503 nan 8.150 nan 0.000 0.494 253 G N -2.728 106.039 108.800 -0.055 0.000 2.163 253 G HA2 0.171 4.131 3.960 -0.000 0.000 0.213 253 G HA3 0.171 4.131 3.960 -0.000 0.000 0.213 253 G C 0.650 175.475 174.900 -0.125 0.000 0.991 253 G CA 0.239 45.163 45.100 -0.293 0.000 0.653 253 G HN 1.638 nan 8.290 nan 0.000 0.518 254 G N -1.616 107.178 108.800 -0.010 0.000 2.846 254 G HA2 0.673 4.633 3.960 -0.000 0.000 0.299 254 G HA3 0.673 4.633 3.960 -0.000 0.000 0.299 254 G C -0.504 174.423 174.900 0.045 0.000 1.242 254 G CA 0.184 45.288 45.100 0.006 0.000 0.800 254 G HN 0.965 nan 8.290 nan 0.000 0.538 255 V N 1.455 121.393 119.914 0.039 0.000 2.637 255 V HA 0.465 4.585 4.120 -0.000 0.000 0.296 255 V C 1.175 177.306 176.094 0.061 0.000 1.046 255 V CA -0.000 62.329 62.300 0.048 0.000 1.066 255 V CB 0.886 32.731 31.823 0.038 0.000 0.968 255 V HN 1.061 nan 8.190 nan 0.000 0.483 256 A N 4.635 127.495 122.820 0.067 0.000 2.520 256 A HA 0.438 4.758 4.320 -0.000 0.000 0.245 256 A C 0.808 178.445 177.584 0.088 0.000 1.072 256 A CA 0.180 52.264 52.037 0.078 0.000 0.761 256 A CB -0.050 18.991 19.000 0.068 0.000 1.004 256 A HN 1.145 nan 8.150 nan 0.000 0.499 257 S N 2.147 117.919 115.700 0.120 0.000 2.632 257 S HA 0.425 4.895 4.470 -0.000 0.000 0.267 257 S C 0.990 175.668 174.600 0.130 0.000 1.276 257 S CA -0.412 57.864 58.200 0.127 0.000 0.998 257 S CB 0.557 63.871 63.200 0.189 0.000 0.953 257 S HN 0.509 nan 8.310 nan 0.000 0.547 258 I N 1.073 121.708 120.570 0.108 0.000 2.406 258 I HA -0.060 4.110 4.170 -0.000 0.000 0.249 258 I C 2.823 179.059 176.117 0.199 0.000 1.122 258 I CA 1.119 62.510 61.300 0.151 0.000 1.431 258 I CB -0.842 37.218 38.000 0.100 0.000 1.087 258 I HN 0.869 nan 8.210 nan 0.000 0.424 259 A N 1.134 124.009 122.820 0.092 0.000 1.892 259 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 259 A C 2.437 180.155 177.584 0.223 0.000 1.188 259 A CA 2.137 54.207 52.037 0.056 0.000 0.631 259 A CB -1.527 17.353 19.000 -0.200 0.000 0.822 259 A HN 0.454 nan 8.150 nan 0.000 0.447 260 G N -0.973 108.008 108.800 0.302 0.000 2.422 260 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 260 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 260 G C 1.733 176.750 174.900 0.195 0.000 1.146 260 G CA 1.078 46.348 45.100 0.285 0.000 0.769 260 G HN 0.572 nan 8.290 nan 0.000 0.547 261 R N -1.040 119.573 120.500 0.188 0.000 2.096 261 R HA -0.046 4.294 4.340 -0.000 0.000 0.235 261 R C 2.200 178.573 176.300 0.122 0.000 1.127 261 R CA 1.071 57.249 56.100 0.130 0.000 0.968 261 R CB -0.338 30.027 30.300 0.108 0.000 0.861 261 R HN 0.487 nan 8.270 nan 0.000 0.440 262 Y N 0.039 120.392 120.300 0.088 0.000 2.373 262 Y HA -0.071 4.479 4.550 0.000 0.000 0.293 262 Y C 1.974 177.921 175.900 0.078 0.000 1.129 262 Y CA 1.010 59.155 58.100 0.076 0.000 1.226 262 Y CB 0.154 38.639 38.460 0.041 0.000 1.000 262 Y HN 0.060 nan 8.280 nan 0.000 0.549 263 I N -1.019 119.684 120.570 0.222 0.000 2.439 263 I HA -0.243 3.927 4.170 -0.000 0.000 0.251 263 I C 2.499 178.689 176.117 0.122 0.000 1.139 263 I CA 0.916 62.308 61.300 0.153 0.000 1.438 263 I CB -0.444 37.651 38.000 0.157 0.000 1.085 263 I HN 0.153 nan 8.210 nan 0.000 0.427 264 A N 0.927 123.830 122.820 0.139 0.000 1.930 264 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 264 A C 2.338 180.044 177.584 0.203 0.000 1.175 264 A CA 1.641 53.779 52.037 0.168 0.000 0.627 264 A CB -0.456 18.647 19.000 0.171 0.000 0.815 264 A HN 0.269 nan 8.150 nan 0.000 0.443 265 R N 0.217 120.811 120.500 0.157 0.000 2.075 265 R HA 0.008 4.348 4.340 -0.000 0.000 0.232 265 R C 2.125 178.406 176.300 -0.032 0.000 1.126 265 R CA 1.808 57.925 56.100 0.027 0.000 0.963 265 R CB -0.799 29.444 30.300 -0.094 0.000 0.858 265 R HN 0.376 nan 8.270 nan 0.000 0.435 266 A N -0.178 122.661 122.820 0.031 0.000 1.902 266 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 266 A C 2.608 180.199 177.584 0.012 0.000 1.181 266 A CA 1.656 53.710 52.037 0.028 0.000 0.623 266 A CB -1.397 17.638 19.000 0.058 0.000 0.818 266 A HN 0.609 nan 8.150 nan 0.000 0.443 267 C N -0.261 119.056 119.300 0.027 0.000 2.436 267 C HA -0.114 4.346 4.460 -0.000 0.000 0.277 267 C C 2.711 177.692 174.990 -0.014 0.000 1.241 267 C CA 1.769 60.804 59.018 0.027 0.000 1.721 267 C CB -1.107 26.671 27.740 0.062 0.000 2.043 267 C HN 0.705 nan 8.230 nan 0.000 0.472 268 K N 0.232 120.593 120.400 -0.065 0.000 2.020 268 K HA -0.214 4.106 4.320 -0.000 0.000 0.212 268 K C 1.616 178.072 176.600 -0.241 0.000 1.050 268 K CA 2.588 58.747 56.287 -0.213 0.000 0.929 268 K CB -0.440 31.768 32.500 -0.487 0.000 0.714 268 K HN 0.470 nan 8.250 nan 0.000 0.443 269 D N -0.077 120.200 120.400 -0.206 0.000 2.144 269 D HA -0.119 4.521 4.640 -0.000 0.000 0.199 269 D C 1.860 178.112 176.300 -0.081 0.000 0.984 269 D CA 1.585 55.484 54.000 -0.168 0.000 0.834 269 D CB -0.513 40.216 40.800 -0.118 0.000 0.955 269 D HN 0.326 nan 8.370 nan 0.000 0.465 270 T N 0.919 115.475 114.554 0.003 0.000 2.777 270 T HA -0.045 4.305 4.350 -0.000 0.000 0.266 270 T C 2.197 176.982 174.700 0.141 0.000 1.040 270 T CA 0.537 62.718 62.100 0.136 0.000 1.141 270 T CB -0.213 68.731 68.868 0.127 0.000 0.868 270 T HN 0.127 nan 8.240 nan 0.000 0.444 271 L N 0.754 122.014 121.223 0.062 0.000 2.056 271 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 271 L C 2.803 179.746 176.870 0.121 0.000 1.078 271 L CA 1.277 56.194 54.840 0.127 0.000 0.749 271 L CB -0.535 41.585 42.059 0.101 0.000 0.901 271 L HN 0.226 nan 8.230 nan 0.000 0.433 272 E N 1.073 121.190 120.200 -0.138 0.000 2.085 272 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 272 E C 2.038 178.582 176.600 -0.093 0.000 0.994 272 E CA 1.719 57.980 56.400 -0.232 0.000 0.801 272 E CB 0.024 29.523 29.700 -0.335 0.000 0.743 272 E HN 0.317 nan 8.360 nan 0.000 0.453 273 K N -1.542 118.740 120.400 -0.197 0.000 2.137 273 K HA -0.043 4.277 4.320 -0.000 0.000 0.202 273 K C 1.205 177.464 176.600 -0.568 0.000 1.052 273 K CA 1.182 57.189 56.287 -0.467 0.000 0.961 273 K CB 0.064 32.078 32.500 -0.810 0.000 0.741 273 K HN 0.235 nan 8.250 nan 0.000 0.452 274 Y N -0.964 119.379 120.300 0.073 0.000 2.471 274 Y HA 0.333 4.883 4.550 -0.000 0.000 0.249 274 Y C 1.773 177.731 175.900 0.096 0.000 1.116 274 Y CA -0.320 57.826 58.100 0.077 0.000 1.240 274 Y CB 0.086 38.578 38.460 0.054 0.000 1.251 274 Y HN -0.050 nan 8.280 nan 0.000 0.527 275 A N 0.678 123.647 122.820 0.247 0.000 1.873 275 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 275 A C 2.112 179.763 177.584 0.112 0.000 1.193 275 A CA 2.172 54.325 52.037 0.192 0.000 0.629 275 A CB -0.875 18.278 19.000 0.256 0.000 0.826 275 A HN 0.387 nan 8.150 nan 0.000 0.447 276 L N 0.775 122.040 121.223 0.070 0.000 2.093 276 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 276 L C 2.656 179.575 176.870 0.081 0.000 1.085 276 L CA 2.749 57.611 54.840 0.036 0.000 0.755 276 L CB -0.686 41.376 42.059 0.006 0.000 0.904 276 L HN 0.501 nan 8.230 nan 0.000 0.435 277 S N -0.767 115.007 115.700 0.124 0.000 2.406 277 S HA -0.022 4.448 4.470 -0.000 0.000 0.228 277 S C 2.094 176.798 174.600 0.174 0.000 1.020 277 S CA 0.646 58.931 58.200 0.142 0.000 0.965 277 S CB -0.848 62.463 63.200 0.184 0.000 0.798 277 S HN 0.480 nan 8.310 nan 0.000 0.488 278 A N 2.064 125.011 122.820 0.212 0.000 1.898 278 A HA 0.159 4.479 4.320 -0.000 0.000 0.216 278 A C 2.172 179.923 177.584 0.279 0.000 1.181 278 A CA 1.151 53.359 52.037 0.285 0.000 0.620 278 A CB -0.754 18.379 19.000 0.223 0.000 0.819 278 A HN 0.529 nan 8.150 nan 0.000 0.442 279 I N -0.273 120.407 120.570 0.184 0.000 2.179 279 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 279 I C 2.392 178.574 176.117 0.108 0.000 1.088 279 I CA 1.239 62.629 61.300 0.150 0.000 1.357 279 I CB -0.365 37.694 38.000 0.099 0.000 1.051 279 I HN 0.291 nan 8.210 nan 0.000 0.409 280 L N -0.185 121.080 121.223 0.070 0.000 2.046 280 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 280 L C 2.701 179.604 176.870 0.055 0.000 1.077 280 L CA 1.236 56.091 54.840 0.024 0.000 0.747 280 L CB -0.600 41.452 42.059 -0.012 0.000 0.896 280 L HN 0.189 nan 8.230 nan 0.000 0.432 281 S N -0.310 115.432 115.700 0.071 0.000 2.356 281 S HA -0.234 4.236 4.470 -0.000 0.000 0.223 281 S C 1.748 176.292 174.600 -0.094 0.000 1.032 281 S CA 1.868 60.077 58.200 0.014 0.000 1.005 281 S CB -0.548 62.689 63.200 0.062 0.000 0.867 281 S HN 0.479 nan 8.310 nan 0.000 0.449 282 N N 0.282 118.945 118.700 -0.061 0.000 2.069 282 N HA -0.143 4.596 4.740 -0.000 0.000 0.191 282 N C 1.459 176.947 175.510 -0.037 0.000 1.031 282 N CA 1.708 54.681 53.050 -0.128 0.000 0.852 282 N CB -0.061 38.504 38.487 0.130 0.000 1.018 282 N HN 0.300 nan 8.380 nan 0.000 0.423 283 T N -0.015 114.569 114.554 0.050 0.000 2.788 283 T HA -0.129 4.221 4.350 -0.000 0.000 0.268 283 T C 1.830 176.578 174.700 0.080 0.000 1.044 283 T CA 1.040 63.196 62.100 0.093 0.000 1.139 283 T CB -0.204 68.755 68.868 0.153 0.000 0.867 283 T HN 0.166 nan 8.240 nan 0.000 0.454 284 R N 0.734 121.279 120.500 0.075 0.000 2.275 284 R HA 0.184 4.524 4.340 -0.000 0.000 0.199 284 R C 1.476 177.755 176.300 -0.035 0.000 0.989 284 R CA 0.707 56.832 56.100 0.040 0.000 1.016 284 R CB -0.597 29.748 30.300 0.075 0.000 0.918 284 R HN 0.438 nan 8.270 nan 0.000 0.473 285 G N -0.113 108.636 108.800 -0.085 0.000 2.147 285 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.244 285 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.244 285 G C -0.165 174.636 174.900 -0.166 0.000 1.005 285 G CA 0.378 45.398 45.100 -0.133 0.000 0.713 285 G HN 0.498 nan 8.290 nan 0.000 0.515 286 V N -3.079 116.724 119.914 -0.184 0.000 2.459 286 V HA 0.697 4.817 4.120 -0.000 0.000 0.295 286 V C 0.991 176.936 176.094 -0.249 0.000 1.029 286 V CA -0.866 61.340 62.300 -0.157 0.000 0.874 286 V CB 1.631 33.413 31.823 -0.068 0.000 0.985 286 V HN 0.674 nan 8.190 nan 0.000 0.438 287 C N 6.422 125.613 119.300 -0.181 0.000 3.057 287 C HA 0.447 4.907 4.460 -0.000 0.000 0.563 287 C C 1.439 176.455 174.990 0.045 0.000 1.129 287 C CA 0.345 59.300 59.018 -0.105 0.000 1.284 287 C CB -2.256 25.446 27.740 -0.063 0.000 1.532 287 C HN 1.151 nan 8.230 nan 0.000 0.631 288 T N -1.287 113.308 114.554 0.069 0.000 2.748 288 T HA 0.065 4.415 4.350 -0.000 0.000 0.304 288 T C 1.134 175.897 174.700 0.104 0.000 1.041 288 T CA -0.051 62.100 62.100 0.084 0.000 1.033 288 T CB 0.752 69.673 68.868 0.089 0.000 0.995 288 T HN 0.697 nan 8.240 nan 0.000 0.536 289 E N 0.351 120.574 120.200 0.039 0.000 2.204 289 E HA -0.093 4.257 4.350 -0.000 0.000 0.194 289 E C 2.276 178.813 176.600 -0.105 0.000 0.989 289 E CA 0.890 57.276 56.400 -0.024 0.000 0.824 289 E CB -0.542 29.129 29.700 -0.049 0.000 0.756 289 E HN 0.793 nan 8.360 nan 0.000 0.477 290 A N 0.623 123.404 122.820 -0.064 0.000 1.902 290 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 290 A C 1.956 179.546 177.584 0.010 0.000 1.181 290 A CA 1.230 53.202 52.037 -0.108 0.000 0.623 290 A CB -0.827 18.266 19.000 0.156 0.000 0.818 290 A HN 0.519 nan 8.150 nan 0.000 0.443 291 F N 1.121 121.055 119.950 -0.026 0.000 2.102 291 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 291 F C 2.236 178.021 175.800 -0.024 0.000 1.105 291 F CA 2.077 60.075 58.000 -0.003 0.000 1.239 291 F CB -0.177 38.822 39.000 -0.002 0.000 0.991 291 F HN 0.273 nan 8.300 nan 0.000 0.474 292 E N 0.337 120.489 120.200 -0.079 0.000 2.153 292 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 292 E C 1.844 178.329 176.600 -0.192 0.000 0.988 292 E CA 1.127 57.426 56.400 -0.169 0.000 0.811 292 E CB -0.512 29.166 29.700 -0.035 0.000 0.746 292 E HN 0.499 nan 8.360 nan 0.000 0.466 293 N N 0.664 119.244 118.700 -0.200 0.000 2.120 293 N HA -0.115 4.625 4.740 -0.000 0.000 0.188 293 N C 2.005 177.440 175.510 -0.125 0.000 1.024 293 N CA 0.808 53.738 53.050 -0.201 0.000 0.852 293 N CB -0.365 37.873 38.487 -0.414 0.000 1.003 293 N HN 0.017 nan 8.380 nan 0.000 0.424 294 V N 0.560 120.397 119.914 -0.129 0.000 2.548 294 V HA -0.081 4.039 4.120 -0.000 0.000 0.249 294 V C 2.352 178.358 176.094 -0.147 0.000 1.055 294 V CA 0.749 63.001 62.300 -0.079 0.000 1.065 294 V CB -0.298 31.509 31.823 -0.028 0.000 0.681 294 V HN 0.044 nan 8.190 nan 0.000 0.462 295 V N 0.112 119.848 119.914 -0.297 0.000 2.343 295 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 295 V C 2.474 178.526 176.094 -0.071 0.000 1.051 295 V CA 2.361 64.508 62.300 -0.256 0.000 1.036 295 V CB -0.449 31.140 31.823 -0.390 0.000 0.654 295 V HN 0.664 nan 8.190 nan 0.000 0.451 296 E N 0.100 120.266 120.200 -0.055 0.000 2.072 296 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 296 E C 2.244 178.803 176.600 -0.068 0.000 0.985 296 E CA 1.301 57.684 56.400 -0.028 0.000 0.801 296 E CB -0.158 29.516 29.700 -0.043 0.000 0.750 296 E HN 0.564 nan 8.360 nan 0.000 0.452 297 A N 1.249 124.045 122.820 -0.041 0.000 1.902 297 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 297 A C 1.900 179.489 177.584 0.008 0.000 1.181 297 A CA 1.626 53.656 52.037 -0.010 0.000 0.623 297 A CB -0.581 18.432 19.000 0.022 0.000 0.818 297 A HN 0.244 nan 8.150 nan 0.000 0.443 298 N N -0.633 118.074 118.700 0.011 0.000 2.309 298 N HA -0.057 4.683 4.740 -0.000 0.000 0.182 298 N C 1.481 177.023 175.510 0.054 0.000 1.018 298 N CA 1.876 54.948 53.050 0.037 0.000 0.876 298 N CB -0.242 38.262 38.487 0.029 0.000 0.972 298 N HN 0.585 nan 8.380 nan 0.000 0.434 299 T N -0.240 114.342 114.554 0.047 0.000 3.156 299 T HA 0.125 4.475 4.350 -0.000 0.000 0.236 299 T C 1.722 176.430 174.700 0.013 0.000 0.978 299 T CA -0.110 62.046 62.100 0.093 0.000 1.240 299 T CB -0.408 68.589 68.868 0.216 0.000 0.951 299 T HN -0.013 nan 8.240 nan 0.000 0.420 300 L N 1.236 122.332 121.223 -0.212 0.000 2.007 300 L HA 0.214 4.554 4.340 -0.000 0.000 0.205 300 L C 2.407 179.164 176.870 -0.188 0.000 1.073 300 L CA 1.801 56.378 54.840 -0.439 0.000 0.744 300 L CB -0.725 40.697 42.059 -1.061 0.000 0.898 300 L HN 0.214 nan 8.230 nan 0.000 0.435 301 M N -1.348 118.173 119.600 -0.132 0.000 2.067 301 M HA -0.211 4.269 4.480 -0.000 0.000 0.260 301 M C 2.533 178.847 176.300 0.023 0.000 1.069 301 M CA 2.093 57.371 55.300 -0.036 0.000 1.117 301 M CB -0.635 31.957 32.600 -0.013 0.000 1.334 301 M HN 0.413 nan 8.290 nan 0.000 0.407 302 S N 0.219 115.949 115.700 0.049 0.000 2.368 302 S HA -0.093 4.377 4.470 -0.000 0.000 0.225 302 S C 1.948 176.672 174.600 0.207 0.000 1.030 302 S CA 1.584 59.854 58.200 0.116 0.000 0.999 302 S CB -0.680 62.584 63.200 0.107 0.000 0.844 302 S HN 0.595 nan 8.310 nan 0.000 0.459 303 G N 1.620 110.515 108.800 0.159 0.000 2.459 303 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.217 303 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.217 303 G C 1.411 176.241 174.900 -0.117 0.000 1.183 303 G CA 0.964 46.163 45.100 0.165 0.000 0.776 303 G HN 0.512 nan 8.290 nan 0.000 0.552 304 L N 0.724 121.882 121.223 -0.108 0.000 2.109 304 L HA 0.056 4.396 4.340 -0.000 0.000 0.207 304 L C 3.165 179.943 176.870 -0.152 0.000 1.086 304 L CA 0.840 55.571 54.840 -0.181 0.000 0.760 304 L CB -0.640 41.378 42.059 -0.069 0.000 0.910 304 L HN 0.348 nan 8.230 nan 0.000 0.437 305 G N 0.566 109.348 108.800 -0.031 0.000 2.432 305 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.219 305 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.219 305 G C 1.410 176.311 174.900 0.000 0.000 1.135 305 G CA 0.873 45.988 45.100 0.024 0.000 0.767 305 G HN 0.470 nan 8.290 nan 0.000 0.550 306 F N 0.763 120.654 119.950 -0.099 0.000 2.262 306 F HA 0.315 4.842 4.527 0.000 0.000 0.292 306 F C 2.106 177.785 175.800 -0.201 0.000 1.081 306 F CA 1.162 59.042 58.000 -0.200 0.000 1.355 306 F CB -0.322 38.513 39.000 -0.275 0.000 1.069 306 F HN 0.232 nan 8.300 nan 0.000 0.506 307 E N 0.407 119.835 120.200 -1.286 0.000 2.106 307 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 307 E C 1.477 177.909 176.600 -0.280 0.000 0.984 307 E CA 1.195 57.081 56.400 -0.857 0.000 0.806 307 E CB -0.178 28.994 29.700 -0.880 0.000 0.750 307 E HN 0.424 nan 8.360 nan 0.000 0.458 308 N N -0.495 118.041 118.700 -0.273 0.000 2.422 308 N HA -0.001 4.739 4.740 -0.000 0.000 0.181 308 N C 0.813 176.315 175.510 -0.013 0.000 1.080 308 N CA 0.694 53.663 53.050 -0.136 0.000 0.893 308 N CB 0.902 39.286 38.487 -0.172 0.000 0.973 308 N HN 0.172 nan 8.380 nan 0.000 0.456 309 G N -0.605 108.176 108.800 -0.033 0.000 2.968 309 G HA2 0.563 4.523 3.960 -0.000 0.000 0.206 309 G HA3 0.563 4.523 3.960 -0.000 0.000 0.206 309 G C -0.010 174.900 174.900 0.016 0.000 2.051 309 G CA 0.408 45.510 45.100 0.002 0.000 0.773 309 G HN 0.353 nan 8.290 nan 0.000 0.741 310 G N -1.588 107.161 108.800 -0.085 0.000 2.338 310 G HA2 0.442 4.402 3.960 -0.000 0.000 0.295 310 G HA3 0.442 4.402 3.960 -0.000 0.000 0.295 310 G C -1.498 173.134 174.900 -0.446 0.000 1.461 310 G CA -0.875 44.078 45.100 -0.246 0.000 0.817 310 G HN 0.467 nan 8.290 nan 0.000 0.556 311 L N 0.171 120.882 121.223 -0.853 0.000 2.399 311 L HA 0.798 5.138 4.340 -0.000 0.000 0.265 311 L C 0.996 177.760 176.870 -0.177 0.000 1.089 311 L CA -0.213 54.287 54.840 -0.567 0.000 0.802 311 L CB 1.436 43.060 42.059 -0.726 0.000 1.180 311 L HN 0.973 nan 8.230 nan 0.000 0.454 312 A N 0.945 123.702 122.820 -0.105 0.000 3.389 312 A HA 0.728 5.048 4.320 -0.000 0.000 0.179 312 A C 1.076 178.645 177.584 -0.026 0.000 0.848 312 A CA 0.536 52.557 52.037 -0.027 0.000 1.090 312 A CB -0.468 18.510 19.000 -0.037 0.000 1.808 312 A HN 0.654 nan 8.150 nan 0.000 0.715 313 A N -0.716 122.070 122.820 -0.056 0.000 1.873 313 A HA 0.284 4.604 4.320 -0.000 0.000 0.215 313 A C 2.416 179.941 177.584 -0.097 0.000 1.186 313 A CA 2.607 54.580 52.037 -0.107 0.000 0.616 313 A CB -1.423 17.464 19.000 -0.188 0.000 0.823 313 A HN 1.761 nan 8.150 nan 0.000 0.442 314 A N -0.444 122.326 122.820 -0.084 0.000 1.869 314 A HA -0.298 4.022 4.320 -0.000 0.000 0.218 314 A C 2.024 179.572 177.584 -0.060 0.000 1.203 314 A CA 2.388 54.378 52.037 -0.079 0.000 0.638 314 A CB -1.081 17.887 19.000 -0.053 0.000 0.831 314 A HN 0.657 nan 8.150 nan 0.000 0.450 315 H N -0.869 118.122 119.070 -0.133 0.000 2.428 315 H HA 0.206 4.762 4.556 -0.000 0.000 0.296 315 H C 2.371 177.656 175.328 -0.071 0.000 1.062 315 H CA 1.183 57.165 56.048 -0.111 0.000 1.350 315 H CB -0.229 29.451 29.762 -0.137 0.000 1.403 315 H HN 0.527 nan 8.280 nan 0.000 0.533 316 A N 0.424 123.248 122.820 0.007 0.000 1.930 316 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 316 A C 2.309 179.832 177.584 -0.102 0.000 1.175 316 A CA 1.278 53.262 52.037 -0.088 0.000 0.627 316 A CB -0.602 18.349 19.000 -0.082 0.000 0.815 316 A HN 0.356 nan 8.150 nan 0.000 0.443 317 I N -0.909 119.609 120.570 -0.088 0.000 2.315 317 I HA -0.247 3.923 4.170 -0.000 0.000 0.248 317 I C 2.588 178.652 176.117 -0.088 0.000 1.117 317 I CA 1.473 62.717 61.300 -0.094 0.000 1.404 317 I CB -0.505 37.435 38.000 -0.100 0.000 1.071 317 I HN 0.573 nan 8.210 nan 0.000 0.419 318 H N 1.977 120.934 119.070 -0.189 0.000 2.352 318 H HA -0.181 4.375 4.556 0.000 0.000 0.299 318 H C 1.714 176.943 175.328 -0.165 0.000 1.097 318 H CA 2.003 57.924 56.048 -0.212 0.000 1.311 318 H CB -0.144 29.418 29.762 -0.333 0.000 1.377 318 H HN 0.303 nan 8.280 nan 0.000 0.504 319 N N 0.423 119.071 118.700 -0.087 0.000 2.244 319 N HA -0.082 4.658 4.740 -0.000 0.000 0.183 319 N C 2.231 177.646 175.510 -0.157 0.000 1.016 319 N CA 1.070 54.017 53.050 -0.171 0.000 0.866 319 N CB -0.849 37.387 38.487 -0.419 0.000 0.980 319 N HN 0.526 nan 8.380 nan 0.000 0.430 320 G N 0.816 109.533 108.800 -0.138 0.000 2.422 320 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.218 320 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.218 320 G C 1.581 176.410 174.900 -0.119 0.000 1.140 320 G CA 0.316 45.358 45.100 -0.096 0.000 0.775 320 G HN 0.208 nan 8.290 nan 0.000 0.545 321 M N 0.623 120.117 119.600 -0.176 0.000 2.149 321 M HA -0.086 4.394 4.480 -0.000 0.000 0.261 321 M C 2.719 178.898 176.300 -0.202 0.000 1.064 321 M CA 1.575 56.761 55.300 -0.190 0.000 1.102 321 M CB -0.519 31.937 32.600 -0.241 0.000 1.369 321 M HN 0.127 nan 8.290 nan 0.000 0.408 322 T N 0.820 115.225 114.554 -0.249 0.000 2.803 322 T HA -0.137 4.213 4.350 -0.000 0.000 0.269 322 T C 1.774 176.261 174.700 -0.355 0.000 1.052 322 T CA 1.385 63.306 62.100 -0.298 0.000 1.136 322 T CB -0.363 68.357 68.868 -0.248 0.000 0.864 322 T HN 0.542 nan 8.240 nan 0.000 0.467 323 A N 0.899 123.629 122.820 -0.151 0.000 2.076 323 A HA -0.037 4.283 4.320 -0.000 0.000 0.220 323 A C 2.170 179.832 177.584 0.130 0.000 1.160 323 A CA 1.061 53.103 52.037 0.010 0.000 0.653 323 A CB -0.746 18.270 19.000 0.027 0.000 0.801 323 A HN 0.595 nan 8.150 nan 0.000 0.455 324 I N -2.685 117.893 120.570 0.013 0.000 2.406 324 I HA -0.036 4.134 4.170 -0.000 0.000 0.249 324 I C 1.330 177.550 176.117 0.172 0.000 1.122 324 I CA 0.756 62.096 61.300 0.066 0.000 1.431 324 I CB -0.495 37.494 38.000 -0.019 0.000 1.087 324 I HN 0.531 nan 8.210 nan 0.000 0.424 325 H N -0.451 118.609 119.070 -0.017 0.000 1.452 325 H HA -0.197 4.359 4.556 0.000 0.000 0.090 325 H C 1.205 176.552 175.328 0.032 0.000 0.731 325 H CA 0.801 56.851 56.048 0.002 0.000 1.901 325 H CB -1.876 27.875 29.762 -0.018 0.000 2.257 325 H HN 0.437 nan 8.280 nan 0.000 0.961 326 G N -0.601 108.315 108.800 0.194 0.000 2.611 326 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.301 326 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.301 326 G C -1.231 173.816 174.900 0.244 0.000 1.233 326 G CA 1.072 46.254 45.100 0.138 0.000 0.993 326 G HN 0.854 nan 8.290 nan 0.000 0.553 327 P HA 0.080 nan 4.420 nan 0.000 0.233 327 P C 1.908 179.203 177.300 -0.009 0.000 1.167 327 P CA 1.409 64.562 63.100 0.087 0.000 0.770 327 P CB -0.090 31.620 31.700 0.017 0.000 0.837 328 V N 2.225 122.158 119.914 0.032 0.000 2.469 328 V HA -0.245 3.875 4.120 -0.000 0.000 0.251 328 V C 2.808 178.868 176.094 -0.056 0.000 1.064 328 V CA 2.197 64.469 62.300 -0.046 0.000 1.066 328 V CB -1.855 29.924 31.823 -0.074 0.000 0.667 328 V HN 0.378 nan 8.190 nan 0.000 0.461 329 H N 0.882 119.913 119.070 -0.066 0.000 2.518 329 H HA -0.102 4.454 4.556 -0.000 0.000 0.289 329 H C 2.088 177.382 175.328 -0.057 0.000 1.051 329 H CA 1.367 57.379 56.048 -0.060 0.000 1.280 329 H CB -0.318 29.426 29.762 -0.029 0.000 1.380 329 H HN 0.385 nan 8.280 nan 0.000 0.566 330 R N 0.267 120.404 120.500 -0.606 0.000 2.275 330 R HA 0.271 4.611 4.340 -0.000 0.000 0.199 330 R C 0.458 176.637 176.300 -0.202 0.000 0.989 330 R CA -0.127 55.699 56.100 -0.456 0.000 1.016 330 R CB 0.376 30.415 30.300 -0.435 0.000 0.918 330 R HN 0.184 nan 8.270 nan 0.000 0.473 331 L N 1.064 122.202 121.223 -0.142 0.000 2.371 331 L HA 0.254 4.594 4.340 -0.000 0.000 0.272 331 L C 0.401 177.227 176.870 -0.073 0.000 1.124 331 L CA -0.268 54.528 54.840 -0.074 0.000 0.816 331 L CB 0.990 42.995 42.059 -0.089 0.000 1.129 331 L HN -0.034 nan 8.230 nan 0.000 0.448 332 M N 0.923 120.488 119.600 -0.058 0.000 2.247 332 M HA 0.107 4.587 4.480 -0.000 0.000 0.326 332 M C 1.178 177.498 176.300 0.034 0.000 1.134 332 M CA -0.299 54.986 55.300 -0.024 0.000 1.136 332 M CB 1.195 33.762 32.600 -0.054 0.000 1.454 332 M HN 0.578 nan 8.290 nan 0.000 0.467 333 H N 1.748 120.831 119.070 0.023 0.000 2.265 333 H HA -0.157 4.399 4.556 -0.000 0.000 0.293 333 H C 1.713 177.023 175.328 -0.030 0.000 1.089 333 H CA 2.893 58.973 56.048 0.053 0.000 1.244 333 H CB -0.367 29.402 29.762 0.013 0.000 1.355 333 H HN 0.875 nan 8.280 nan 0.000 0.485 334 G N -0.296 108.434 108.800 -0.117 0.000 2.448 334 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.219 334 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.219 334 G C 1.489 176.267 174.900 -0.204 0.000 1.127 334 G CA 0.874 45.857 45.100 -0.195 0.000 0.766 334 G HN 0.606 nan 8.290 nan 0.000 0.552 335 E N 0.329 120.420 120.200 -0.182 0.000 2.106 335 E HA -0.064 4.286 4.350 -0.000 0.000 0.192 335 E C 2.423 178.892 176.600 -0.219 0.000 0.984 335 E CA 0.837 57.085 56.400 -0.255 0.000 0.806 335 E CB -0.058 29.456 29.700 -0.311 0.000 0.750 335 E HN 0.375 nan 8.360 nan 0.000 0.458 336 K N 0.532 120.827 120.400 -0.175 0.000 2.116 336 K HA -0.033 4.287 4.320 -0.000 0.000 0.203 336 K C 2.180 178.699 176.600 -0.136 0.000 1.052 336 K CA 0.684 56.891 56.287 -0.133 0.000 0.952 336 K CB 0.068 32.505 32.500 -0.106 0.000 0.729 336 K HN -0.054 nan 8.250 nan 0.000 0.446 337 V N 1.565 121.312 119.914 -0.279 0.000 2.490 337 V HA -0.249 3.871 4.120 -0.000 0.000 0.250 337 V C 2.303 178.254 176.094 -0.239 0.000 1.061 337 V CA 1.985 64.049 62.300 -0.393 0.000 1.064 337 V CB -0.583 30.825 31.823 -0.691 0.000 0.670 337 V HN 0.339 nan 8.190 nan 0.000 0.461 338 A N -0.896 121.807 122.820 -0.194 0.000 1.877 338 A HA -0.274 4.046 4.320 -0.000 0.000 0.216 338 A C 2.158 179.651 177.584 -0.152 0.000 1.186 338 A CA 2.068 54.009 52.037 -0.159 0.000 0.620 338 A CB -0.807 18.099 19.000 -0.155 0.000 0.822 338 A HN 0.601 nan 8.150 nan 0.000 0.443 339 Y N 0.736 120.908 120.300 -0.214 0.000 2.224 339 Y HA -0.063 4.487 4.550 0.000 0.000 0.289 339 Y C 2.477 178.271 175.900 -0.178 0.000 1.146 339 Y CA 1.402 59.392 58.100 -0.185 0.000 1.182 339 Y CB -0.542 37.815 38.460 -0.171 0.000 0.983 339 Y HN 0.268 nan 8.280 nan 0.000 0.524 340 G N -1.575 107.203 108.800 -0.036 0.000 2.432 340 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.219 340 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.219 340 G C 1.620 176.406 174.900 -0.190 0.000 1.135 340 G CA 1.418 46.457 45.100 -0.101 0.000 0.767 340 G HN 0.405 nan 8.290 nan 0.000 0.550 341 T N 1.281 115.709 114.554 -0.210 0.000 2.821 341 T HA 0.028 4.378 4.350 -0.000 0.000 0.267 341 T C 2.391 176.897 174.700 -0.324 0.000 1.046 341 T CA 0.568 62.529 62.100 -0.232 0.000 1.139 341 T CB -0.131 68.623 68.868 -0.189 0.000 0.871 341 T HN 0.152 nan 8.240 nan 0.000 0.454 342 L N 0.800 121.802 121.223 -0.368 0.000 2.083 342 L HA -0.071 4.269 4.340 -0.000 0.000 0.209 342 L C 2.629 179.320 176.870 -0.299 0.000 1.083 342 L CA 0.856 55.458 54.840 -0.397 0.000 0.752 342 L CB -0.671 41.095 42.059 -0.488 0.000 0.899 342 L HN 0.160 nan 8.230 nan 0.000 0.433 343 V N -0.301 119.409 119.914 -0.340 0.000 2.343 343 V HA -0.330 3.790 4.120 -0.000 0.000 0.247 343 V C 2.450 178.372 176.094 -0.287 0.000 1.051 343 V CA 1.922 64.052 62.300 -0.284 0.000 1.036 343 V CB -0.531 31.159 31.823 -0.221 0.000 0.654 343 V HN 0.531 nan 8.190 nan 0.000 0.451 344 Q N -0.265 119.356 119.800 -0.298 0.000 2.124 344 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 344 Q C 2.211 177.987 176.000 -0.374 0.000 0.977 344 Q CA 1.833 57.452 55.803 -0.307 0.000 0.850 344 Q CB -0.089 28.495 28.738 -0.256 0.000 0.901 344 Q HN 0.503 nan 8.270 nan 0.000 0.429 345 V N -0.090 119.518 119.914 -0.509 0.000 2.407 345 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 345 V C 2.194 178.060 176.094 -0.380 0.000 1.055 345 V CA 1.426 63.240 62.300 -0.810 0.000 1.049 345 V CB -0.207 31.093 31.823 -0.871 0.000 0.662 345 V HN 0.281 nan 8.190 nan 0.000 0.455 346 V N -0.394 119.406 119.914 -0.191 0.000 2.379 346 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 346 V C 2.227 178.272 176.094 -0.081 0.000 1.044 346 V CA 1.674 63.919 62.300 -0.091 0.000 1.036 346 V CB -0.441 31.270 31.823 -0.188 0.000 0.664 346 V HN 0.444 nan 8.190 nan 0.000 0.453 347 L N -0.348 120.777 121.223 -0.164 0.000 2.141 347 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 347 L C 2.356 179.277 176.870 0.086 0.000 1.094 347 L CA 1.456 56.224 54.840 -0.119 0.000 0.763 347 L CB -0.507 41.267 42.059 -0.475 0.000 0.908 347 L HN 0.386 nan 8.230 nan 0.000 0.437 348 E N -0.523 119.685 120.200 0.013 0.000 2.481 348 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 348 E C -0.079 176.664 176.600 0.239 0.000 1.047 348 E CA 0.166 56.652 56.400 0.142 0.000 0.867 348 E CB 0.127 29.904 29.700 0.128 0.000 0.858 348 E HN 0.269 nan 8.360 nan 0.000 0.513 349 D N -0.503 120.002 120.400 0.174 0.000 2.746 349 D HA -0.152 4.488 4.640 -0.000 0.000 0.236 349 D C -1.245 175.250 176.300 0.325 0.000 1.129 349 D CA 0.290 54.413 54.000 0.206 0.000 0.691 349 D CB -0.959 39.940 40.800 0.166 0.000 1.077 349 D HN 0.162 nan 8.370 nan 0.000 0.432 350 W N 0.095 121.446 121.300 0.084 0.000 2.158 350 W HA 0.364 5.024 4.660 0.000 0.000 0.339 350 W C -1.386 175.172 176.519 0.064 0.000 1.294 350 W CA -1.871 55.520 57.345 0.077 0.000 1.231 350 W CB -0.790 28.733 29.460 0.104 0.000 1.143 350 W HN 0.069 nan 8.180 nan 0.000 0.571 351 P HA -0.093 nan 4.420 nan 0.000 0.268 351 P C 1.040 178.422 177.300 0.137 0.000 1.208 351 P CA -0.261 62.912 63.100 0.122 0.000 0.777 351 P CB 0.558 32.295 31.700 0.060 0.000 0.875 352 L N 2.793 124.023 121.223 0.012 0.000 2.081 352 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 352 L C 2.033 178.963 176.870 0.100 0.000 1.080 352 L CA 1.907 56.717 54.840 -0.049 0.000 0.754 352 L CB -1.055 40.865 42.059 -0.232 0.000 0.893 352 L HN 0.492 nan 8.230 nan 0.000 0.433 353 E N -0.925 119.322 120.200 0.078 0.000 2.118 353 E HA -0.245 4.105 4.350 -0.000 0.000 0.195 353 E C 1.597 178.266 176.600 0.115 0.000 0.992 353 E CA 1.541 57.993 56.400 0.088 0.000 0.804 353 E CB -0.067 29.661 29.700 0.047 0.000 0.741 353 E HN 0.607 nan 8.360 nan 0.000 0.458 354 D N -0.189 120.302 120.400 0.152 0.000 2.183 354 D HA -0.136 4.504 4.640 -0.000 0.000 0.203 354 D C 1.736 178.248 176.300 0.352 0.000 0.969 354 D CA 0.650 54.765 54.000 0.192 0.000 0.842 354 D CB -0.246 40.629 40.800 0.125 0.000 0.957 354 D HN 0.237 nan 8.370 nan 0.000 0.484 355 F N 2.719 122.806 119.950 0.229 0.000 2.102 355 F HA -0.179 4.348 4.527 -0.000 0.000 0.298 355 F C 1.887 177.672 175.800 -0.025 0.000 1.105 355 F CA 1.235 59.308 58.000 0.122 0.000 1.239 355 F CB -0.266 38.790 39.000 0.094 0.000 0.991 355 F HN -0.196 nan 8.300 nan 0.000 0.474 356 N N 1.014 119.816 118.700 0.170 0.000 2.149 356 N HA -0.218 4.522 4.740 -0.000 0.000 0.188 356 N C 1.458 176.784 175.510 -0.307 0.000 1.019 356 N CA 1.753 54.743 53.050 -0.099 0.000 0.857 356 N CB -0.951 37.603 38.487 0.113 0.000 0.997 356 N HN 0.547 nan 8.380 nan 0.000 0.426 357 N N 0.095 118.718 118.700 -0.127 0.000 2.166 357 N HA -0.134 4.606 4.740 -0.000 0.000 0.186 357 N C 1.557 176.952 175.510 -0.191 0.000 1.019 357 N CA 0.540 53.514 53.050 -0.126 0.000 0.856 357 N CB -0.038 38.415 38.487 -0.057 0.000 0.993 357 N HN 0.079 nan 8.380 nan 0.000 0.426 358 L N 0.891 121.982 121.223 -0.220 0.000 2.127 358 L HA 0.156 4.496 4.340 -0.000 0.000 0.203 358 L C 2.147 178.776 176.870 -0.403 0.000 1.080 358 L CA 1.099 55.796 54.840 -0.238 0.000 0.768 358 L CB -0.699 41.243 42.059 -0.195 0.000 0.924 358 L HN 0.026 nan 8.230 nan 0.000 0.444 359 A N -0.586 121.811 122.820 -0.705 0.000 1.902 359 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 359 A C 2.458 179.474 177.584 -0.946 0.000 1.181 359 A CA 2.125 53.662 52.037 -0.834 0.000 0.623 359 A CB -1.137 17.265 19.000 -0.997 0.000 0.818 359 A HN 0.655 nan 8.150 nan 0.000 0.443 360 S N -1.193 113.833 115.700 -1.123 0.000 2.382 360 S HA -0.173 4.297 4.470 -0.000 0.000 0.228 360 S C 1.817 176.069 174.600 -0.581 0.000 1.027 360 S CA 1.405 58.897 58.200 -1.181 0.000 0.991 360 S CB -0.733 62.076 63.200 -0.652 0.000 0.823 360 S HN 0.511 nan 8.310 nan 0.000 0.469 361 F N 2.225 121.894 119.950 -0.468 0.000 2.113 361 F HA 0.108 4.635 4.527 -0.000 0.000 0.297 361 F C 2.366 178.010 175.800 -0.260 0.000 1.103 361 F CA 1.386 59.212 58.000 -0.289 0.000 1.248 361 F CB -0.419 38.447 39.000 -0.223 0.000 0.999 361 F HN 0.114 nan 8.300 nan 0.000 0.475 362 M N -0.134 119.322 119.600 -0.241 0.000 2.117 362 M HA -0.190 4.290 4.480 -0.000 0.000 0.262 362 M C 2.470 178.601 176.300 -0.282 0.000 1.065 362 M CA 1.726 56.872 55.300 -0.258 0.000 1.114 362 M CB -0.861 31.600 32.600 -0.231 0.000 1.361 362 M HN 0.278 nan 8.290 nan 0.000 0.408 363 A N 0.471 123.067 122.820 -0.373 0.000 1.908 363 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 363 A C 2.271 179.813 177.584 -0.070 0.000 1.181 363 A CA 2.027 53.904 52.037 -0.266 0.000 0.627 363 A CB -0.648 17.981 19.000 -0.619 0.000 0.818 363 A HN 0.377 nan 8.150 nan 0.000 0.445 364 K N -1.420 118.821 120.400 -0.264 0.000 2.209 364 K HA -0.101 4.219 4.320 -0.000 0.000 0.204 364 K C 1.578 178.169 176.600 -0.016 0.000 1.048 364 K CA 1.186 57.461 56.287 -0.021 0.000 0.940 364 K CB -1.207 31.197 32.500 -0.159 0.000 0.729 364 K HN 0.737 nan 8.250 nan 0.000 0.451 365 C N -0.444 118.750 119.300 -0.177 0.000 2.673 365 C HA 0.278 4.738 4.460 -0.000 0.000 0.274 365 C C 0.701 175.758 174.990 0.111 0.000 1.276 365 C CA -0.135 58.816 59.018 -0.112 0.000 1.701 365 C CB -1.926 25.652 27.740 -0.270 0.000 1.836 365 C HN 0.819 nan 8.230 nan 0.000 0.596 366 H N -1.041 118.057 119.070 0.046 0.000 2.903 366 H HA -0.152 4.404 4.556 -0.000 0.000 0.285 366 H C -0.270 175.134 175.328 0.127 0.000 1.231 366 H CA 0.417 56.545 56.048 0.132 0.000 1.135 366 H CB -1.659 28.163 29.762 0.101 0.000 1.328 366 H HN 0.475 nan 8.280 nan 0.000 0.388 367 L N 1.319 122.513 121.223 -0.049 0.000 2.343 367 L HA 0.440 4.780 4.340 -0.000 0.000 0.275 367 L C -1.690 175.022 176.870 -0.264 0.000 1.056 367 L CA -1.833 52.879 54.840 -0.213 0.000 0.804 367 L CB 1.137 43.089 42.059 -0.178 0.000 1.203 367 L HN 0.074 nan 8.230 nan 0.000 0.440 368 P HA 0.099 nan 4.420 nan 0.000 0.276 368 P C 0.015 177.289 177.300 -0.042 0.000 1.235 368 P CA 0.050 63.006 63.100 -0.239 0.000 0.772 368 P CB 0.862 32.302 31.700 -0.434 0.000 0.871 369 I N 0.056 120.666 120.570 0.067 0.000 4.147 369 I HA 0.260 4.430 4.170 -0.000 0.000 0.329 369 I C -0.063 176.221 176.117 0.279 0.000 1.424 369 I CA -0.338 61.024 61.300 0.103 0.000 1.127 369 I CB 0.503 38.477 38.000 -0.044 0.000 1.128 369 I HN 0.199 nan 8.210 nan 0.000 0.417 370 T N -2.501 112.231 114.554 0.297 0.000 2.883 370 T HA 0.528 4.878 4.350 -0.000 0.000 0.296 370 T C 0.587 175.350 174.700 0.106 0.000 1.117 370 T CA -0.720 61.546 62.100 0.277 0.000 1.006 370 T CB 2.171 71.149 68.868 0.184 0.000 1.191 370 T HN 0.092 nan 8.240 nan 0.000 0.508 371 L N 0.200 121.444 121.223 0.034 0.000 2.141 371 L HA 0.007 4.347 4.340 -0.000 0.000 0.209 371 L C 2.831 179.668 176.870 -0.054 0.000 1.094 371 L CA 1.681 56.451 54.840 -0.116 0.000 0.763 371 L CB -0.475 41.540 42.059 -0.074 0.000 0.908 371 L HN 0.896 nan 8.230 nan 0.000 0.437 372 E N 0.887 121.095 120.200 0.013 0.000 2.051 372 E HA -0.251 4.099 4.350 -0.000 0.000 0.192 372 E C 1.955 178.583 176.600 0.047 0.000 0.991 372 E CA 1.585 58.001 56.400 0.028 0.000 0.799 372 E CB 0.014 29.744 29.700 0.050 0.000 0.748 372 E HN 0.432 nan 8.360 nan 0.000 0.449 373 E N 0.167 120.420 120.200 0.089 0.000 2.110 373 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 373 E C 2.156 178.884 176.600 0.214 0.000 0.988 373 E CA 1.001 57.512 56.400 0.185 0.000 0.804 373 E CB -0.135 29.709 29.700 0.239 0.000 0.745 373 E HN 0.351 nan 8.360 nan 0.000 0.458 374 L N -0.293 120.953 121.223 0.037 0.000 2.362 374 L HA -0.039 4.301 4.340 -0.000 0.000 0.219 374 L C 1.516 178.377 176.870 -0.015 0.000 1.134 374 L CA 0.737 55.549 54.840 -0.047 0.000 0.807 374 L CB -0.308 41.591 42.059 -0.265 0.000 0.927 374 L HN 0.394 nan 8.230 nan 0.000 0.447 375 G N 1.116 109.915 108.800 -0.001 0.000 2.141 375 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.242 375 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.242 375 G C 0.523 175.403 174.900 -0.032 0.000 0.982 375 G CA 0.234 45.327 45.100 -0.011 0.000 0.662 375 G HN 0.519 nan 8.290 nan 0.000 0.527 376 I N -2.819 117.716 120.570 -0.058 0.000 2.979 376 I HA 0.375 4.545 4.170 -0.000 0.000 0.337 376 I C -0.915 175.168 176.117 -0.056 0.000 1.453 376 I CA -1.764 59.500 61.300 -0.060 0.000 0.891 376 I CB 0.993 38.941 38.000 -0.088 0.000 1.887 376 I HN -0.077 nan 8.210 nan 0.000 0.546 377 P HA -0.103 nan 4.420 nan 0.000 0.225 377 P C 0.379 177.669 177.300 -0.016 0.000 1.148 377 P CA 1.313 64.401 63.100 -0.020 0.000 0.779 377 P CB 0.011 31.709 31.700 -0.003 0.000 0.780 378 N N -0.650 118.040 118.700 -0.017 0.000 2.238 378 N HA 0.104 4.844 4.740 -0.000 0.000 0.222 378 N C 0.109 175.609 175.510 -0.016 0.000 1.133 378 N CA -0.382 52.661 53.050 -0.012 0.000 0.854 378 N CB 0.600 39.083 38.487 -0.007 0.000 1.041 378 N HN -0.072 nan 8.380 nan 0.000 0.510 379 V N 2.320 122.218 119.914 -0.026 0.000 2.720 379 V HA -0.038 4.082 4.120 -0.000 0.000 0.307 379 V C 0.801 176.882 176.094 -0.020 0.000 1.071 379 V CA 0.295 62.579 62.300 -0.028 0.000 1.199 379 V CB 0.457 32.253 31.823 -0.046 0.000 0.900 379 V HN 0.387 nan 8.190 nan 0.000 0.494 380 T N 2.669 117.214 114.554 -0.015 0.000 2.874 380 T HA 0.267 4.617 4.350 -0.000 0.000 0.281 380 T C 0.793 175.485 174.700 -0.013 0.000 0.994 380 T CA -0.217 61.876 62.100 -0.012 0.000 1.015 380 T CB 1.002 69.865 68.868 -0.008 0.000 1.028 380 T HN 0.690 nan 8.240 nan 0.000 0.523 381 D N 0.919 121.313 120.400 -0.010 0.000 2.144 381 D HA -0.022 4.618 4.640 -0.000 0.000 0.199 381 D C 2.516 178.811 176.300 -0.008 0.000 0.984 381 D CA 1.812 55.806 54.000 -0.010 0.000 0.834 381 D CB -0.642 40.154 40.800 -0.007 0.000 0.955 381 D HN 0.912 nan 8.370 nan 0.000 0.465 382 E N 1.444 121.641 120.200 -0.005 0.000 2.077 382 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 382 E C 1.909 178.507 176.600 -0.003 0.000 0.989 382 E CA 1.449 57.847 56.400 -0.003 0.000 0.800 382 E CB -0.852 28.847 29.700 -0.002 0.000 0.746 382 E HN 0.486 nan 8.360 nan 0.000 0.452 383 E N -0.035 120.161 120.200 -0.005 0.000 2.077 383 E HA -0.059 4.291 4.350 -0.000 0.000 0.193 383 E C 2.363 178.956 176.600 -0.012 0.000 0.989 383 E CA 1.057 57.454 56.400 -0.005 0.000 0.800 383 E CB -0.192 29.504 29.700 -0.007 0.000 0.746 383 E HN 0.486 nan 8.360 nan 0.000 0.452 384 L N 0.716 121.929 121.223 -0.018 0.000 2.083 384 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 384 L C 2.458 179.318 176.870 -0.018 0.000 1.083 384 L CA 0.747 55.573 54.840 -0.024 0.000 0.752 384 L CB -0.318 41.725 42.059 -0.026 0.000 0.899 384 L HN 0.191 nan 8.230 nan 0.000 0.433 385 L N -0.841 120.376 121.223 -0.010 0.000 2.131 385 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 385 L C 2.629 179.499 176.870 0.001 0.000 1.092 385 L CA 1.165 56.003 54.840 -0.003 0.000 0.759 385 L CB -0.274 41.786 42.059 0.002 0.000 0.903 385 L HN 0.378 nan 8.230 nan 0.000 0.435 386 M N -0.653 118.947 119.600 0.002 0.000 2.132 386 M HA -0.171 4.309 4.480 -0.000 0.000 0.263 386 M C 2.136 178.438 176.300 0.003 0.000 1.065 386 M CA 1.561 56.865 55.300 0.008 0.000 1.122 386 M CB 0.077 32.685 32.600 0.013 0.000 1.365 386 M HN 0.016 nan 8.290 nan 0.000 0.411 387 V N 0.510 120.417 119.914 -0.012 0.000 2.343 387 V HA -0.192 3.928 4.120 -0.000 0.000 0.247 387 V C 2.619 178.697 176.094 -0.027 0.000 1.051 387 V CA 2.072 64.356 62.300 -0.028 0.000 1.036 387 V CB -1.700 30.095 31.823 -0.047 0.000 0.654 387 V HN 0.731 nan 8.190 nan 0.000 0.451 388 G N -0.291 108.496 108.800 -0.022 0.000 2.440 388 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 388 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 388 G C 1.757 176.660 174.900 0.005 0.000 1.154 388 G CA 0.701 45.791 45.100 -0.018 0.000 0.767 388 G HN 0.421 nan 8.290 nan 0.000 0.552 389 R N 0.400 120.910 120.500 0.017 0.000 2.081 389 R HA 0.034 4.374 4.340 -0.000 0.000 0.235 389 R C 3.028 179.354 176.300 0.043 0.000 1.131 389 R CA 1.102 57.223 56.100 0.035 0.000 0.960 389 R CB -0.361 29.959 30.300 0.034 0.000 0.856 389 R HN 0.362 nan 8.270 nan 0.000 0.436 390 A N 0.446 123.284 122.820 0.030 0.000 1.898 390 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 390 A C 2.148 179.748 177.584 0.028 0.000 1.181 390 A CA 1.770 53.830 52.037 0.039 0.000 0.620 390 A CB -0.710 18.305 19.000 0.026 0.000 0.819 390 A HN 0.250 nan 8.150 nan 0.000 0.442 391 T N 0.409 114.957 114.554 -0.009 0.000 2.788 391 T HA -0.065 4.285 4.350 -0.000 0.000 0.268 391 T C 1.358 176.039 174.700 -0.031 0.000 1.044 391 T CA 1.374 63.447 62.100 -0.044 0.000 1.139 391 T CB -0.309 68.514 68.868 -0.074 0.000 0.867 391 T HN 0.361 nan 8.240 nan 0.000 0.454 392 L N 0.521 121.758 121.223 0.024 0.000 2.629 392 L HA 0.226 4.566 4.340 -0.000 0.000 0.230 392 L C 0.827 177.852 176.870 0.259 0.000 1.151 392 L CA -0.261 54.632 54.840 0.088 0.000 0.924 392 L CB -0.191 41.942 42.059 0.124 0.000 1.137 392 L HN 0.015 nan 8.230 nan 0.000 0.457 393 R N 1.494 122.114 120.500 0.199 0.000 2.640 393 R HA -0.022 4.318 4.340 -0.000 0.000 0.270 393 R C -0.965 175.526 176.300 0.318 0.000 1.024 393 R CA -0.946 55.279 56.100 0.208 0.000 1.085 393 R CB 0.131 30.530 30.300 0.165 0.000 0.963 393 R HN -0.084 nan 8.270 nan 0.000 0.426 394 P HA -0.252 nan 4.420 nan 0.000 0.218 394 P C -0.099 177.251 177.300 0.082 0.000 1.152 394 P CA 1.627 64.731 63.100 0.006 0.000 0.857 394 P CB 0.204 31.894 31.700 -0.016 0.000 0.787 395 D N -0.988 119.513 120.400 0.169 0.000 2.340 395 D HA 0.060 4.700 4.640 -0.000 0.000 0.217 395 D C 0.721 177.199 176.300 0.297 0.000 1.081 395 D CA 0.232 54.346 54.000 0.191 0.000 0.842 395 D CB 0.186 41.071 40.800 0.141 0.000 0.934 395 D HN 0.212 nan 8.370 nan 0.000 0.511 396 E N 0.520 120.928 120.200 0.348 0.000 2.392 396 E HA 0.041 4.391 4.350 -0.000 0.000 0.259 396 E C 1.331 178.081 176.600 0.249 0.000 1.108 396 E CA 0.045 56.593 56.400 0.247 0.000 0.916 396 E CB 1.326 31.077 29.700 0.086 0.000 0.989 396 E HN 0.026 nan 8.360 nan 0.000 0.432 397 S N 1.782 117.627 115.700 0.242 0.000 2.453 397 S HA -0.120 4.350 4.470 -0.000 0.000 0.231 397 S C 1.948 176.610 174.600 0.103 0.000 1.005 397 S CA 0.414 58.766 58.200 0.254 0.000 0.949 397 S CB -0.204 63.177 63.200 0.301 0.000 0.774 397 S HN 0.631 nan 8.310 nan 0.000 0.510 398 I N 1.851 122.399 120.570 -0.036 0.000 2.423 398 I HA -0.230 3.940 4.170 -0.000 0.000 0.254 398 I C 1.907 177.986 176.117 -0.064 0.000 1.151 398 I CA 1.403 62.650 61.300 -0.088 0.000 1.421 398 I CB -0.228 37.666 38.000 -0.177 0.000 1.079 398 I HN 0.335 nan 8.210 nan 0.000 0.431 399 H N 0.769 119.913 119.070 0.124 0.000 2.561 399 H HA -0.008 4.548 4.556 -0.000 0.000 0.278 399 H C 1.567 176.944 175.328 0.083 0.000 1.014 399 H CA 0.635 56.742 56.048 0.098 0.000 1.211 399 H CB -0.349 29.460 29.762 0.077 0.000 1.365 399 H HN 0.483 nan 8.280 nan 0.000 0.594 400 N N 0.583 119.384 118.700 0.168 0.000 2.459 400 N HA -0.036 4.704 4.740 -0.000 0.000 0.181 400 N C 0.644 176.212 175.510 0.097 0.000 1.046 400 N CA 0.318 53.446 53.050 0.131 0.000 0.904 400 N CB 0.182 38.753 38.487 0.139 0.000 0.964 400 N HN 0.344 nan 8.380 nan 0.000 0.444 401 M N 0.429 120.090 119.600 0.101 0.000 2.233 401 M HA 0.035 4.514 4.480 -0.000 0.000 0.350 401 M C 1.576 177.910 176.300 0.055 0.000 1.176 401 M CA -0.206 55.147 55.300 0.089 0.000 1.150 401 M CB 1.113 33.808 32.600 0.158 0.000 1.530 401 M HN 0.010 nan 8.290 nan 0.000 0.459 402 S N 1.321 117.037 115.700 0.027 0.000 2.423 402 S HA -0.054 4.416 4.470 -0.000 0.000 0.231 402 S C 0.786 175.348 174.600 -0.064 0.000 1.014 402 S CA 0.606 58.803 58.200 -0.005 0.000 0.965 402 S CB -0.070 63.128 63.200 -0.003 0.000 0.785 402 S HN 0.710 nan 8.310 nan 0.000 0.495 403 K N 1.855 122.195 120.400 -0.100 0.000 2.298 403 K HA 0.187 4.507 4.320 -0.000 0.000 0.280 403 K C -0.737 175.501 176.600 -0.604 0.000 1.032 403 K CA -0.360 55.748 56.287 -0.298 0.000 0.958 403 K CB 0.381 32.733 32.500 -0.246 0.000 0.978 403 K HN -0.017 nan 8.250 nan 0.000 0.472 404 K N 3.498 123.492 120.400 -0.675 0.000 2.156 404 K HA 0.438 4.758 4.320 -0.000 0.000 0.254 404 K C -0.716 175.360 176.600 -0.873 0.000 0.950 404 K CA -0.461 55.465 56.287 -0.602 0.000 0.849 404 K CB 0.975 33.352 32.500 -0.205 0.000 1.100 404 K HN 0.404 nan 8.250 nan 0.000 0.434 405 F N 0.154 120.118 119.950 0.024 0.000 2.620 405 F HA 0.380 4.907 4.527 -0.000 0.000 0.320 405 F C 0.409 176.222 175.800 0.021 0.000 1.069 405 F CA -1.187 56.819 58.000 0.011 0.000 0.953 405 F CB 1.285 40.277 39.000 -0.013 0.000 1.322 405 F HN 0.509 nan 8.300 nan 0.000 0.479 406 N N -0.524 118.308 118.700 0.219 0.000 2.457 406 N HA 0.572 5.312 4.740 -0.000 0.000 0.290 406 N C -2.716 172.857 175.510 0.104 0.000 1.232 406 N CA -2.272 50.856 53.050 0.129 0.000 0.852 406 N CB 1.042 39.578 38.487 0.083 0.000 1.313 406 N HN 0.072 nan 8.380 nan 0.000 0.522 407 P HA -0.220 nan 4.420 nan 0.000 0.216 407 P C 1.094 178.407 177.300 0.022 0.000 1.153 407 P CA 2.134 65.257 63.100 0.038 0.000 0.858 407 P CB 0.014 31.733 31.700 0.033 0.000 0.789 408 S N -1.032 114.685 115.700 0.028 0.000 2.399 408 S HA -0.223 4.247 4.470 -0.000 0.000 0.231 408 S C 1.985 176.592 174.600 0.012 0.000 1.022 408 S CA 1.037 59.247 58.200 0.016 0.000 0.983 408 S CB -1.200 62.012 63.200 0.020 0.000 0.803 408 S HN 0.242 nan 8.310 nan 0.000 0.480 409 Q N 0.163 119.985 119.800 0.036 0.000 2.172 409 Q HA 0.059 4.399 4.340 -0.000 0.000 0.200 409 Q C 2.025 177.999 176.000 -0.043 0.000 0.964 409 Q CA 1.053 56.877 55.803 0.036 0.000 0.855 409 Q CB -0.225 28.599 28.738 0.144 0.000 0.918 409 Q HN 0.503 nan 8.270 nan 0.000 0.444 410 I N 0.626 121.160 120.570 -0.060 0.000 2.202 410 I HA -0.190 3.980 4.170 -0.000 0.000 0.242 410 I C 2.349 178.412 176.117 -0.090 0.000 1.091 410 I CA 1.202 62.428 61.300 -0.122 0.000 1.368 410 I CB -1.490 36.450 38.000 -0.100 0.000 1.058 410 I HN 0.108 nan 8.210 nan 0.000 0.410 411 A N 0.751 123.539 122.820 -0.053 0.000 1.877 411 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 411 A C 2.027 179.579 177.584 -0.052 0.000 1.186 411 A CA 2.074 54.086 52.037 -0.043 0.000 0.620 411 A CB -0.708 18.276 19.000 -0.026 0.000 0.822 411 A HN 0.333 nan 8.150 nan 0.000 0.443 412 D N -0.087 120.282 120.400 -0.052 0.000 2.117 412 D HA -0.051 4.588 4.640 -0.000 0.000 0.197 412 D C 2.196 178.430 176.300 -0.111 0.000 0.987 412 D CA 1.560 55.522 54.000 -0.063 0.000 0.829 412 D CB -0.365 40.410 40.800 -0.042 0.000 0.961 412 D HN 0.423 nan 8.370 nan 0.000 0.460 413 A N 0.266 123.009 122.820 -0.128 0.000 1.930 413 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 413 A C 2.334 179.807 177.584 -0.185 0.000 1.175 413 A CA 0.689 52.613 52.037 -0.189 0.000 0.627 413 A CB -0.592 18.284 19.000 -0.207 0.000 0.815 413 A HN 0.205 nan 8.150 nan 0.000 0.443 414 I N -0.699 119.811 120.570 -0.099 0.000 2.286 414 I HA -0.253 3.917 4.170 -0.000 0.000 0.248 414 I C 2.451 178.577 176.117 0.014 0.000 1.115 414 I CA 1.468 62.776 61.300 0.013 0.000 1.392 414 I CB -0.165 37.858 38.000 0.039 0.000 1.065 414 I HN 0.284 nan 8.210 nan 0.000 0.418 415 K N 0.606 120.973 120.400 -0.055 0.000 2.103 415 K HA -0.044 4.276 4.320 -0.000 0.000 0.204 415 K C 2.255 178.763 176.600 -0.152 0.000 1.052 415 K CA 1.191 57.442 56.287 -0.061 0.000 0.945 415 K CB -0.164 32.302 32.500 -0.056 0.000 0.722 415 K HN 0.265 nan 8.250 nan 0.000 0.443 416 A N 1.051 123.701 122.820 -0.284 0.000 1.902 416 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 416 A C 2.324 179.387 177.584 -0.868 0.000 1.181 416 A CA 1.385 53.060 52.037 -0.604 0.000 0.623 416 A CB -0.698 17.876 19.000 -0.710 0.000 0.818 416 A HN 0.059 nan 8.150 nan 0.000 0.443 417 V N 0.546 120.117 119.914 -0.572 0.000 2.287 417 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 417 V C 2.372 178.392 176.094 -0.123 0.000 1.053 417 V CA 2.616 64.682 62.300 -0.389 0.000 1.027 417 V CB -0.868 30.719 31.823 -0.393 0.000 0.646 417 V HN 0.740 nan 8.190 nan 0.000 0.447 418 D N -0.219 120.180 120.400 -0.001 0.000 2.116 418 D HA -0.170 4.470 4.640 -0.000 0.000 0.193 418 D C 2.301 178.647 176.300 0.077 0.000 0.998 418 D CA 1.933 56.001 54.000 0.113 0.000 0.836 418 D CB -0.107 40.760 40.800 0.111 0.000 0.951 418 D HN 0.382 nan 8.370 nan 0.000 0.449 419 S N -1.139 114.561 115.700 0.000 0.000 2.368 419 S HA -0.125 4.345 4.470 -0.000 0.000 0.224 419 S C 1.760 176.466 174.600 0.176 0.000 1.029 419 S CA 0.629 58.869 58.200 0.067 0.000 0.988 419 S CB -0.417 62.809 63.200 0.042 0.000 0.838 419 S HN 0.338 nan 8.310 nan 0.000 0.462 420 Y N 2.192 122.431 120.300 -0.102 0.000 2.128 420 Y HA -0.073 4.477 4.550 -0.000 0.000 0.284 420 Y C 2.969 178.948 175.900 0.131 0.000 1.154 420 Y CA 0.340 58.341 58.100 -0.165 0.000 1.149 420 Y CB -1.356 36.615 38.460 -0.814 0.000 0.976 420 Y HN 0.186 nan 8.280 nan 0.000 0.505 421 S N -0.178 115.764 115.700 0.403 0.000 2.368 421 S HA -0.228 4.242 4.470 -0.000 0.000 0.225 421 S C 1.954 176.787 174.600 0.388 0.000 1.030 421 S CA 1.334 59.796 58.200 0.437 0.000 0.999 421 S CB -0.363 63.028 63.200 0.318 0.000 0.844 421 S HN 0.532 nan 8.310 nan 0.000 0.459 422 Q N 0.462 120.424 119.800 0.269 0.000 2.124 422 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 422 Q C 2.191 178.306 176.000 0.191 0.000 0.977 422 Q CA 1.280 57.208 55.803 0.209 0.000 0.850 422 Q CB -0.171 28.654 28.738 0.145 0.000 0.901 422 Q HN 0.240 nan 8.270 nan 0.000 0.429 423 K N 0.421 120.942 120.400 0.202 0.000 2.057 423 K HA -0.187 4.133 4.320 -0.000 0.000 0.206 423 K C 1.468 178.173 176.600 0.175 0.000 1.050 423 K CA 1.251 57.630 56.287 0.154 0.000 0.935 423 K CB -0.501 32.078 32.500 0.133 0.000 0.715 423 K HN 0.321 nan 8.250 nan 0.000 0.439 424 W N 1.665 123.028 121.300 0.106 0.000 2.358 424 W HA -0.182 4.478 4.660 -0.000 0.000 0.303 424 W C 1.774 178.352 176.519 0.098 0.000 1.208 424 W CA 1.877 59.278 57.345 0.094 0.000 1.274 424 W CB -0.239 29.286 29.460 0.109 0.000 1.138 424 W HN 0.196 nan 8.180 nan 0.000 0.515 425 Q N -0.026 119.806 119.800 0.054 0.000 2.061 425 Q HA -0.296 4.044 4.340 -0.000 0.000 0.204 425 Q C 2.234 178.147 176.000 -0.145 0.000 0.984 425 Q CA 2.102 57.834 55.803 -0.117 0.000 0.846 425 Q CB -0.645 28.204 28.738 0.186 0.000 0.902 425 Q HN 0.540 nan 8.270 nan 0.000 0.421 426 E N 1.029 121.202 120.200 -0.045 0.000 2.031 426 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 426 E C 1.997 178.545 176.600 -0.087 0.000 0.994 426 E CA 1.240 57.616 56.400 -0.041 0.000 0.800 426 E CB 0.036 29.740 29.700 0.005 0.000 0.752 426 E HN 0.401 nan 8.360 nan 0.000 0.447 427 Q N -0.293 119.444 119.800 -0.105 0.000 2.096 427 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 427 Q C 2.331 178.235 176.000 -0.160 0.000 0.982 427 Q CA 2.312 58.052 55.803 -0.105 0.000 0.850 427 Q CB -0.215 28.480 28.738 -0.071 0.000 0.901 427 Q HN 0.472 nan 8.270 nan 0.000 0.422 428 T N -3.850 110.510 114.554 -0.323 0.000 3.081 428 T HA 0.229 4.579 4.350 -0.000 0.000 0.255 428 T C 1.363 175.960 174.700 -0.173 0.000 1.113 428 T CA 0.478 62.398 62.100 -0.300 0.000 1.082 428 T CB 0.382 68.893 68.868 -0.595 0.000 0.939 428 T HN 0.469 nan 8.240 nan 0.000 0.506 429 G N 0.978 109.684 108.800 -0.157 0.000 2.160 429 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.251 429 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.251 429 G C -0.078 174.785 174.900 -0.062 0.000 1.008 429 G CA -0.035 45.014 45.100 -0.086 0.000 0.724 429 G HN 0.719 nan 8.290 nan 0.000 0.514 430 W N 1.907 123.023 121.300 -0.307 0.000 2.381 430 W HA 0.355 5.015 4.660 -0.000 0.000 0.321 430 W C 1.221 177.678 176.519 -0.103 0.000 1.407 430 W CA 0.810 58.015 57.345 -0.233 0.000 1.274 430 W CB 0.534 29.733 29.460 -0.436 0.000 1.310 430 W HN 0.380 nan 8.180 nan 0.000 0.551 431 T N 0.798 115.062 114.554 -0.483 0.000 3.014 431 T HA 0.023 4.373 4.350 -0.000 0.000 0.250 431 T C 0.520 175.024 174.700 -0.326 0.000 1.060 431 T CA -0.121 61.797 62.100 -0.303 0.000 1.040 431 T CB 0.177 68.904 68.868 -0.235 0.000 0.971 431 T HN 0.547 nan 8.240 nan 0.000 0.497 432 E N 1.615 121.403 120.200 -0.686 0.000 2.413 432 E HA 0.174 4.524 4.350 -0.000 0.000 0.263 432 E C -0.526 176.134 176.600 0.099 0.000 1.015 432 E CA -0.221 56.014 56.400 -0.275 0.000 0.916 432 E CB 0.425 29.945 29.700 -0.300 0.000 0.947 432 E HN 0.183 nan 8.360 nan 0.000 0.440 433 R N 3.317 123.878 120.500 0.102 0.000 2.626 433 R HA 0.216 4.556 4.340 -0.000 0.000 0.274 433 R C -1.191 175.090 176.300 -0.032 0.000 1.031 433 R CA -0.856 55.303 56.100 0.099 0.000 0.898 433 R CB 0.995 31.343 30.300 0.078 0.000 1.222 433 R HN 0.560 nan 8.270 nan 0.000 0.455 434 F N 3.657 123.464 119.950 -0.238 0.000 2.438 434 F HA 0.334 4.861 4.527 -0.000 0.000 0.356 434 F C -0.066 175.683 175.800 -0.085 0.000 1.099 434 F CA -0.265 57.536 58.000 -0.331 0.000 1.185 434 F CB 0.625 39.467 39.000 -0.264 0.000 1.115 434 F HN 0.112 nan 8.300 nan 0.000 0.526 435 R N 7.178 127.276 120.500 -0.670 0.000 2.310 435 R HA 0.292 4.632 4.340 -0.000 0.000 0.324 435 R C -1.228 174.607 176.300 -0.775 0.000 0.955 435 R CA -1.260 54.551 56.100 -0.481 0.000 0.830 435 R CB 1.316 31.476 30.300 -0.234 0.000 1.154 435 R HN 0.734 nan 8.270 nan 0.000 0.458 436 L N 5.658 126.582 121.223 -0.499 0.000 2.615 436 L HA 0.147 4.487 4.340 -0.000 0.000 0.271 436 L C -2.091 174.651 176.870 -0.214 0.000 1.183 436 L CA -0.944 53.716 54.840 -0.300 0.000 0.933 436 L CB -0.046 41.991 42.059 -0.036 0.000 1.199 436 L HN 0.413 nan 8.230 nan 0.000 0.487 437 P HA 0.180 nan 4.420 nan 0.000 0.273 437 P C -2.112 175.135 177.300 -0.089 0.000 1.250 437 P CA -0.937 62.094 63.100 -0.114 0.000 0.793 437 P CB 0.077 31.721 31.700 -0.094 0.000 1.011 438 P HA -0.121 nan 4.420 nan 0.000 0.218 438 P C 0.102 177.371 177.300 -0.051 0.000 1.148 438 P CA 1.574 64.650 63.100 -0.039 0.000 0.822 438 P CB 0.069 31.763 31.700 -0.010 0.000 0.784 439 S N -3.689 111.973 115.700 -0.063 0.000 2.638 439 S HA 0.416 4.886 4.470 -0.000 0.000 0.274 439 S C 0.676 175.194 174.600 -0.137 0.000 1.157 439 S CA -0.964 57.185 58.200 -0.085 0.000 0.826 439 S CB 1.643 64.849 63.200 0.010 0.000 1.139 439 S HN -0.186 nan 8.310 nan 0.000 0.474 440 R N -0.216 120.157 120.500 -0.210 0.000 2.127 440 R HA -0.083 4.257 4.340 -0.000 0.000 0.238 440 R C 0.879 176.956 176.300 -0.372 0.000 1.134 440 R CA 1.729 57.638 56.100 -0.320 0.000 0.975 440 R CB -0.328 29.725 30.300 -0.412 0.000 0.865 440 R HN 0.752 nan 8.270 nan 0.000 0.447 441 H N -0.935 118.143 119.070 0.012 0.000 2.549 441 H HA 0.259 4.815 4.556 -0.000 0.000 0.279 441 H C -0.036 175.309 175.328 0.029 0.000 1.018 441 H CA -0.063 56.027 56.048 0.070 0.000 1.175 441 H CB 0.539 30.415 29.762 0.190 0.000 1.485 441 H HN 0.024 nan 8.280 nan 0.000 0.543 442 S N 2.505 118.220 115.700 0.026 0.000 2.584 442 S HA 0.228 4.698 4.470 -0.000 0.000 0.273 442 S C -2.008 172.550 174.600 -0.070 0.000 1.311 442 S CA -0.962 57.244 58.200 0.011 0.000 1.034 442 S CB 1.648 64.842 63.200 -0.010 0.000 0.939 442 S HN 0.151 nan 8.310 nan 0.000 0.513 443 P HA 0.228 nan 4.420 nan 0.000 0.277 443 P C -0.466 176.792 177.300 -0.070 0.000 1.276 443 P CA -0.460 62.597 63.100 -0.070 0.000 0.788 443 P CB 0.285 32.000 31.700 0.025 0.000 1.114 444 H N -0.830 118.231 119.070 -0.016 0.000 2.929 444 H HA 0.019 4.575 4.556 -0.000 0.000 0.358 444 H C 1.377 176.676 175.328 -0.049 0.000 1.111 444 H CA -0.169 55.855 56.048 -0.040 0.000 1.409 444 H CB 0.087 29.831 29.762 -0.030 0.000 1.373 444 H HN 0.283 nan 8.280 nan 0.000 0.610 445 L N 0.990 122.254 121.223 0.069 0.000 2.083 445 L HA -0.098 4.242 4.340 -0.000 0.000 0.209 445 L C 1.120 177.999 176.870 0.015 0.000 1.083 445 L CA 1.302 56.148 54.840 0.009 0.000 0.752 445 L CB -0.351 41.688 42.059 -0.035 0.000 0.899 445 L HN 0.742 nan 8.230 nan 0.000 0.433 446 T N -5.531 109.032 114.554 0.015 0.000 2.838 446 T HA 0.284 4.634 4.350 -0.000 0.000 0.292 446 T C -0.894 173.801 174.700 -0.008 0.000 1.113 446 T CA -0.923 61.174 62.100 -0.005 0.000 1.008 446 T CB 2.297 71.146 68.868 -0.030 0.000 1.259 446 T HN -0.191 nan 8.240 nan 0.000 0.520 447 D N 0.661 121.054 120.400 -0.012 0.000 2.317 447 D HA 0.200 4.840 4.640 -0.000 0.000 0.252 447 D C 1.357 177.625 176.300 -0.054 0.000 1.174 447 D CA -1.039 52.960 54.000 -0.001 0.000 0.866 447 D CB 0.499 41.310 40.800 0.017 0.000 1.127 447 D HN 0.642 nan 8.370 nan 0.000 0.467 448 I N 1.167 121.668 120.570 -0.115 0.000 3.564 448 I HA 0.082 4.252 4.170 -0.000 0.000 0.294 448 I C 1.026 177.094 176.117 -0.080 0.000 1.289 448 I CA -0.249 60.921 61.300 -0.217 0.000 1.325 448 I CB -0.307 37.410 38.000 -0.471 0.000 1.039 448 I HN 0.306 nan 8.210 nan 0.000 0.474 449 H N 5.158 124.184 119.070 -0.074 0.000 2.897 449 H HA 0.222 4.778 4.556 -0.000 0.000 0.347 449 H C -1.664 173.638 175.328 -0.043 0.000 1.068 449 H CA -1.170 54.853 56.048 -0.041 0.000 1.426 449 H CB 0.728 30.476 29.762 -0.024 0.000 1.410 449 H HN 0.222 nan 8.280 nan 0.000 0.597 450 P HA 0.000 nan 4.420 nan 0.000 0.216 450 P CA 0.000 63.088 63.100 -0.020 0.000 0.800 450 P CB 0.000 31.626 31.700 -0.123 0.000 0.726