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 2w9b_1_B DATA FIRST_RESID 0 DATA SEQUENCE HMIVLFVDFD YFYAQVEEVL NPSLKGKPVV VCVFSGRFED SGAVATANYE DATA SEQUENCE ARKFGVKAGI PIVEAKKILP NAVYLPMRKE VYQQVSSRIM NLLREYSEKI DATA SEQUENCE EIASIDEAYL DISDKVRDYR EAYNLGLEIK NKILEKEKIT VTVGISKNKV DATA SEQUENCE FAKIAADMAK PNGIKVIDDE EVKRLIRELD IADVPGIGNI TAEKLKKLGI DATA SEQUENCE NKLVDTLSIE FDKLKGMIGE AKAKYLISLA RDEYNEPIRT RVRKSIGRIV DATA SEQUENCE TMKRNSRNLE EIKPYLFRAI EESYYKLDKR IPKAIHVVAV TEDLDIVSRG DATA SEQUENCE RTFPHGISKE TAYSESVKLL QKILEEDERK IRRIGVRFSK FIE 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.342 175.328 0.024 0.000 0.993 0 H CA 0.000 56.073 56.048 0.041 0.000 1.023 0 H CB 0.000 29.809 29.762 0.079 0.000 1.292 1 M N 3.812 123.512 119.600 0.166 0.000 2.246 1 M HA 0.293 4.773 4.480 -0.001 0.000 0.350 1 M C -1.328 175.072 176.300 0.166 0.000 1.406 1 M CA -0.143 55.232 55.300 0.124 0.000 1.089 1 M CB -0.009 32.651 32.600 0.101 0.000 1.782 1 M HN 0.493 nan 8.290 nan 0.000 0.457 2 I N 5.494 126.128 120.570 0.107 0.000 2.377 2 I HA 0.409 4.579 4.170 -0.001 0.000 0.293 2 I C -0.764 175.399 176.117 0.076 0.000 0.987 2 I CA -0.300 61.031 61.300 0.052 0.000 1.185 2 I CB 1.891 39.837 38.000 -0.090 0.000 1.341 2 I HN 0.417 nan 8.210 nan 0.000 0.455 3 V N 6.943 126.930 119.914 0.121 0.000 2.531 3 V HA 0.459 4.578 4.120 -0.001 0.000 0.301 3 V C -0.556 175.653 176.094 0.190 0.000 1.034 3 V CA -0.722 61.672 62.300 0.156 0.000 0.865 3 V CB 2.073 34.005 31.823 0.183 0.000 0.995 3 V HN 0.516 nan 8.190 nan 0.000 0.424 4 L N 5.475 126.806 121.223 0.179 0.000 2.334 4 L HA 0.764 5.103 4.340 -0.001 0.000 0.276 4 L C -1.566 175.432 176.870 0.214 0.000 1.014 4 L CA -0.512 54.429 54.840 0.169 0.000 0.815 4 L CB 1.752 43.859 42.059 0.081 0.000 1.268 4 L HN 0.697 nan 8.230 nan 0.000 0.428 5 F N 4.971 124.921 119.950 0.000 0.000 2.578 5 F HA 0.695 5.223 4.527 0.000 0.000 0.311 5 F C -1.565 174.161 175.800 -0.123 0.000 1.094 5 F CA -0.553 57.376 58.000 -0.118 0.000 0.923 5 F CB 1.965 40.899 39.000 -0.110 0.000 1.230 5 F HN 0.138 nan 8.300 nan 0.000 0.450 6 V N 3.812 123.116 119.914 -1.016 0.000 2.531 6 V HA 0.452 4.571 4.120 -0.001 0.000 0.301 6 V C -1.551 173.927 176.094 -1.027 0.000 1.034 6 V CA -0.614 61.239 62.300 -0.745 0.000 0.865 6 V CB 1.576 33.187 31.823 -0.355 0.000 0.995 6 V HN 0.710 nan 8.190 nan 0.000 0.424 7 D N 3.913 123.931 120.400 -0.636 0.000 2.542 7 D HA 0.414 5.053 4.640 -0.001 0.000 0.252 7 D C -0.486 175.739 176.300 -0.125 0.000 1.222 7 D CA -0.552 53.127 54.000 -0.535 0.000 0.895 7 D CB 1.087 41.688 40.800 -0.332 0.000 1.207 7 D HN 0.157 nan 8.370 nan 0.000 0.558 8 F N 1.762 121.521 119.950 -0.318 0.000 2.623 8 F HA 0.103 4.630 4.527 -0.000 0.000 0.383 8 F C 1.420 177.137 175.800 -0.138 0.000 1.077 8 F CA -0.220 57.642 58.000 -0.231 0.000 1.268 8 F CB -0.018 38.782 39.000 -0.335 0.000 1.053 8 F HN 0.209 nan 8.300 nan 0.000 0.571 9 D N 2.614 123.040 120.400 0.042 0.000 2.304 9 D HA 0.051 4.691 4.640 -0.001 0.000 0.247 9 D C 0.446 176.648 176.300 -0.164 0.000 1.089 9 D CA -0.081 53.970 54.000 0.086 0.000 0.910 9 D CB 0.519 41.449 40.800 0.217 0.000 1.199 9 D HN 0.659 nan 8.370 nan 0.000 0.426 10 Y N 0.114 120.549 120.300 0.225 0.000 2.933 10 Y HA -0.356 4.194 4.550 0.001 0.000 0.217 10 Y C 0.782 176.810 175.900 0.212 0.000 1.119 10 Y CA -0.362 57.840 58.100 0.169 0.000 0.949 10 Y CB -2.366 36.203 38.460 0.183 0.000 1.159 10 Y HN 0.284 nan 8.280 nan 0.000 0.511 11 F N 1.184 121.062 119.950 -0.121 0.000 2.054 11 F HA -0.414 4.112 4.527 -0.003 0.000 0.294 11 F C 2.218 178.076 175.800 0.095 0.000 1.126 11 F CA 2.325 60.328 58.000 0.006 0.000 1.226 11 F CB -1.107 37.967 39.000 0.122 0.000 0.947 11 F HN 0.380 nan 8.300 nan 0.000 0.509 12 Y N 0.132 120.242 120.300 -0.316 0.000 2.053 12 Y HA -0.228 4.322 4.550 0.001 0.000 0.277 12 Y C 2.724 178.460 175.900 -0.274 0.000 1.159 12 Y CA 1.143 58.813 58.100 -0.716 0.000 1.125 12 Y CB -1.857 36.199 38.460 -0.674 0.000 0.969 12 Y HN 0.189 nan 8.280 nan 0.000 0.492 13 A N -0.223 122.664 122.820 0.112 0.000 1.883 13 A HA -0.291 4.028 4.320 -0.001 0.000 0.217 13 A C 2.334 180.042 177.584 0.207 0.000 1.186 13 A CA 2.076 54.228 52.037 0.191 0.000 0.624 13 A CB -1.027 18.135 19.000 0.271 0.000 0.822 13 A HN 0.576 nan 8.150 nan 0.000 0.444 14 Q N -0.332 119.532 119.800 0.107 0.000 2.050 14 Q HA -0.132 4.208 4.340 -0.001 0.000 0.202 14 Q C 1.933 177.932 176.000 -0.002 0.000 0.980 14 Q CA 1.937 57.730 55.803 -0.016 0.000 0.840 14 Q CB -0.245 28.195 28.738 -0.498 0.000 0.898 14 Q HN 0.376 nan 8.270 nan 0.000 0.424 15 V N 1.719 121.597 119.914 -0.059 0.000 2.546 15 V HA -0.235 3.885 4.120 -0.001 0.000 0.254 15 V C 2.080 178.196 176.094 0.036 0.000 1.076 15 V CA 1.853 64.127 62.300 -0.043 0.000 1.087 15 V CB -0.477 31.291 31.823 -0.092 0.000 0.674 15 V HN 0.387 nan 8.190 nan 0.000 0.470 16 E N -0.434 119.819 120.200 0.088 0.000 2.358 16 E HA -0.152 4.198 4.350 -0.001 0.000 0.195 16 E C 2.087 178.726 176.600 0.065 0.000 1.010 16 E CA 0.662 57.121 56.400 0.097 0.000 0.856 16 E CB 0.158 29.938 29.700 0.132 0.000 0.795 16 E HN 0.711 nan 8.360 nan 0.000 0.504 17 E N -0.150 120.093 120.200 0.072 0.000 2.140 17 E HA -0.032 4.318 4.350 -0.001 0.000 0.191 17 E C 2.004 178.627 176.600 0.039 0.000 0.973 17 E CA 0.146 56.585 56.400 0.066 0.000 0.829 17 E CB 0.307 30.066 29.700 0.097 0.000 0.781 17 E HN -0.060 nan 8.360 nan 0.000 0.466 18 V N 1.075 121.006 119.914 0.028 0.000 2.688 18 V HA -0.197 3.922 4.120 -0.001 0.000 0.256 18 V C 1.376 177.471 176.094 0.001 0.000 1.084 18 V CA 1.161 63.467 62.300 0.009 0.000 1.103 18 V CB -0.147 31.673 31.823 -0.005 0.000 0.688 18 V HN 0.251 nan 8.190 nan 0.000 0.480 19 L N -0.081 121.143 121.223 0.002 0.000 2.640 19 L HA 0.368 4.708 4.340 -0.001 0.000 0.230 19 L C 0.662 177.534 176.870 0.003 0.000 1.123 19 L CA 0.574 55.410 54.840 -0.008 0.000 0.900 19 L CB -0.232 41.812 42.059 -0.025 0.000 1.146 19 L HN 0.416 nan 8.230 nan 0.000 0.484 20 N N 0.023 118.732 118.700 0.015 0.000 3.111 20 N HA 0.113 4.853 4.740 -0.001 0.000 0.200 20 N C -2.645 172.880 175.510 0.027 0.000 1.464 20 N CA -0.542 52.519 53.050 0.019 0.000 0.758 20 N CB 1.248 39.749 38.487 0.023 0.000 1.548 20 N HN -0.170 nan 8.380 nan 0.000 0.595 21 P HA 0.088 nan 4.420 nan 0.000 0.249 21 P C 0.415 177.732 177.300 0.027 0.000 1.544 21 P CA 0.029 63.147 63.100 0.031 0.000 0.932 21 P CB -0.585 31.133 31.700 0.029 0.000 1.524 22 S N -0.517 115.197 115.700 0.024 0.000 3.110 22 S HA 0.107 4.577 4.470 -0.001 0.000 0.253 22 S C 0.881 175.496 174.600 0.025 0.000 1.074 22 S CA 0.116 58.329 58.200 0.021 0.000 1.201 22 S CB -1.268 61.944 63.200 0.019 0.000 0.889 22 S HN 0.197 nan 8.310 nan 0.000 0.490 23 L N -1.236 120.004 121.223 0.030 0.000 2.824 23 L HA 0.354 4.694 4.340 -0.001 0.000 0.284 23 L C 0.668 177.560 176.870 0.036 0.000 1.031 23 L CA -0.314 54.545 54.840 0.032 0.000 1.226 23 L CB -0.088 41.995 42.059 0.041 0.000 2.283 23 L HN 0.198 nan 8.230 nan 0.000 0.569 24 K N 1.234 121.662 120.400 0.046 0.000 2.382 24 K HA 0.291 4.611 4.320 -0.001 0.000 0.275 24 K C 0.972 177.596 176.600 0.040 0.000 1.009 24 K CA 1.214 57.535 56.287 0.058 0.000 0.970 24 K CB 0.698 33.238 32.500 0.067 0.000 0.934 24 K HN 0.237 nan 8.250 nan 0.000 0.479 25 G N 2.581 111.403 108.800 0.036 0.000 2.213 25 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.226 25 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.226 25 G C -0.312 174.599 174.900 0.018 0.000 0.992 25 G CA 0.060 45.175 45.100 0.026 0.000 0.632 25 G HN 0.588 nan 8.290 nan 0.000 0.511 26 K N 0.414 120.821 120.400 0.012 0.000 2.350 26 K HA 0.570 4.889 4.320 -0.001 0.000 0.241 26 K C -3.009 173.579 176.600 -0.019 0.000 0.994 26 K CA -2.237 54.048 56.287 -0.004 0.000 0.839 26 K CB 2.460 34.959 32.500 -0.001 0.000 1.244 26 K HN -0.091 nan 8.250 nan 0.000 0.443 27 P HA 0.119 nan 4.420 nan 0.000 0.276 27 P C -1.217 176.017 177.300 -0.110 0.000 1.253 27 P CA -0.310 62.740 63.100 -0.084 0.000 0.766 27 P CB 0.657 32.283 31.700 -0.123 0.000 0.845 28 V N 5.049 124.902 119.914 -0.101 0.000 2.531 28 V HA 0.307 4.427 4.120 -0.001 0.000 0.301 28 V C -0.052 175.954 176.094 -0.148 0.000 1.034 28 V CA -0.757 61.481 62.300 -0.103 0.000 0.865 28 V CB 2.328 34.151 31.823 -0.001 0.000 0.995 28 V HN 0.172 nan 8.190 nan 0.000 0.424 29 V N 5.414 125.160 119.914 -0.279 0.000 2.370 29 V HA 0.445 4.564 4.120 -0.001 0.000 0.283 29 V C 0.011 176.046 176.094 -0.099 0.000 1.023 29 V CA -0.584 61.557 62.300 -0.264 0.000 0.857 29 V CB 1.716 33.180 31.823 -0.597 0.000 0.985 29 V HN 0.620 nan 8.190 nan 0.000 0.443 30 V N 4.816 124.725 119.914 -0.009 0.000 2.481 30 V HA 0.571 4.690 4.120 -0.001 0.000 0.286 30 V C 0.199 176.327 176.094 0.057 0.000 1.042 30 V CA -0.280 62.062 62.300 0.071 0.000 0.928 30 V CB 1.361 33.243 31.823 0.100 0.000 0.986 30 V HN 1.158 nan 8.190 nan 0.000 0.462 31 C N 2.877 122.216 119.300 0.065 0.000 3.171 31 C HA 0.860 5.320 4.460 -0.001 0.000 0.308 31 C C -0.579 174.295 174.990 -0.194 0.000 1.334 31 C CA -0.864 58.088 59.018 -0.110 0.000 1.473 31 C CB 1.254 28.867 27.740 -0.211 0.000 1.866 31 C HN 0.504 nan 8.230 nan 0.000 0.465 32 V N 2.659 122.415 119.914 -0.263 0.000 2.305 32 V HA 0.398 4.518 4.120 -0.001 0.000 0.275 32 V C -0.373 175.623 176.094 -0.163 0.000 1.020 32 V CA 0.108 62.350 62.300 -0.096 0.000 0.811 32 V CB -0.139 31.677 31.823 -0.012 0.000 1.031 32 V HN 0.725 nan 8.190 nan 0.000 0.439 33 F N 2.033 121.990 119.950 0.011 0.000 2.408 33 F HA 0.277 4.803 4.527 -0.001 0.000 0.303 33 F C 1.675 177.438 175.800 -0.062 0.000 1.268 33 F CA 0.280 58.266 58.000 -0.023 0.000 1.218 33 F CB 0.656 39.648 39.000 -0.014 0.000 1.283 33 F HN 0.474 nan 8.300 nan 0.000 0.545 34 S N -1.585 114.155 115.700 0.067 0.000 2.666 34 S HA 0.312 4.782 4.470 -0.001 0.000 0.239 34 S C 1.530 176.089 174.600 -0.069 0.000 1.031 34 S CA 0.084 58.245 58.200 -0.064 0.000 1.015 34 S CB 0.002 63.090 63.200 -0.187 0.000 0.981 34 S HN 1.212 nan 8.310 nan 0.000 0.547 35 G N 3.620 112.424 108.800 0.006 0.000 2.317 35 G HA2 -0.503 3.456 3.960 -0.001 0.000 0.265 35 G HA3 -0.503 3.456 3.960 -0.001 0.000 0.265 35 G C 1.241 176.118 174.900 -0.038 0.000 0.983 35 G CA 1.294 46.390 45.100 -0.007 0.000 0.641 35 G HN 0.796 nan 8.290 nan 0.000 0.556 36 R N -0.161 120.264 120.500 -0.125 0.000 2.096 36 R HA 0.132 4.472 4.340 -0.001 0.000 0.240 36 R C 1.731 178.044 176.300 0.022 0.000 1.139 36 R CA 1.871 57.904 56.100 -0.112 0.000 0.952 36 R CB -0.613 29.543 30.300 -0.240 0.000 0.854 36 R HN 0.928 nan 8.270 nan 0.000 0.436 37 F N -0.590 119.382 119.950 0.037 0.000 3.043 37 F HA 0.594 5.121 4.527 -0.000 0.000 0.357 37 F C -0.801 175.016 175.800 0.028 0.000 1.302 37 F CA -2.626 55.390 58.000 0.027 0.000 1.069 37 F CB 0.025 39.036 39.000 0.019 0.000 1.539 37 F HN -0.322 nan 8.300 nan 0.000 0.505 38 E N 1.047 121.472 120.200 0.374 0.000 2.180 38 E HA 0.263 4.613 4.350 -0.001 0.000 0.283 38 E C -1.249 175.569 176.600 0.363 0.000 1.061 38 E CA 0.435 56.974 56.400 0.231 0.000 0.861 38 E CB -0.575 29.170 29.700 0.075 0.000 1.056 38 E HN 0.571 nan 8.360 nan 0.000 0.407 39 D N 2.688 123.289 120.400 0.336 0.000 2.922 39 D HA -0.120 4.520 4.640 -0.001 0.000 0.252 39 D C -1.209 175.328 176.300 0.395 0.000 1.070 39 D CA 0.741 54.921 54.000 0.300 0.000 0.813 39 D CB -1.460 39.420 40.800 0.134 0.000 1.046 39 D HN 0.290 nan 8.370 nan 0.000 0.429 40 S N -0.239 115.627 115.700 0.277 0.000 2.519 40 S HA 0.924 5.393 4.470 -0.001 0.000 0.309 40 S C 0.689 175.260 174.600 -0.048 0.000 1.100 40 S CA -0.123 58.047 58.200 -0.050 0.000 1.059 40 S CB 2.711 65.503 63.200 -0.679 0.000 1.008 40 S HN 0.837 nan 8.310 nan 0.000 0.478 41 G N 1.088 109.828 108.800 -0.100 0.000 2.320 41 G HA2 0.541 4.501 3.960 -0.001 0.000 0.274 41 G HA3 0.541 4.501 3.960 -0.001 0.000 0.274 41 G C -0.841 173.985 174.900 -0.123 0.000 1.324 41 G CA -0.118 44.905 45.100 -0.128 0.000 0.957 41 G HN 1.175 nan 8.290 nan 0.000 0.481 42 A N -1.812 120.927 122.820 -0.135 0.000 3.120 42 A HA 0.896 5.215 4.320 -0.001 0.000 0.213 42 A C -0.741 176.770 177.584 -0.122 0.000 1.202 42 A CA 0.057 52.032 52.037 -0.103 0.000 0.876 42 A CB 1.188 20.150 19.000 -0.063 0.000 1.456 42 A HN 1.718 nan 8.150 nan 0.000 0.530 43 V N 1.032 120.903 119.914 -0.072 0.000 2.276 43 V HA 0.420 4.540 4.120 -0.001 0.000 0.268 43 V C 1.295 177.363 176.094 -0.044 0.000 1.032 43 V CA 0.081 62.347 62.300 -0.057 0.000 0.810 43 V CB -0.132 31.670 31.823 -0.035 0.000 1.060 43 V HN 1.197 nan 8.190 nan 0.000 0.446 44 A N 3.856 126.665 122.820 -0.019 0.000 1.906 44 A HA -0.188 4.132 4.320 -0.001 0.000 0.222 44 A C 1.306 178.847 177.584 -0.072 0.000 1.282 44 A CA 2.856 54.899 52.037 0.010 0.000 0.675 44 A CB -0.262 18.834 19.000 0.160 0.000 0.838 44 A HN 0.997 nan 8.150 nan 0.000 0.469 45 T N -4.525 110.000 114.554 -0.048 0.000 2.886 45 T HA 0.592 4.942 4.350 -0.001 0.000 0.330 45 T C -1.159 173.508 174.700 -0.054 0.000 1.488 45 T CA 0.047 62.095 62.100 -0.087 0.000 1.054 45 T CB 1.168 69.940 68.868 -0.160 0.000 1.348 45 T HN 1.506 nan 8.240 nan 0.000 0.489 46 A N 3.430 126.203 122.820 -0.079 0.000 2.342 46 A HA 0.730 5.049 4.320 -0.001 0.000 0.323 46 A C 0.372 177.891 177.584 -0.109 0.000 1.125 46 A CA -0.918 51.056 52.037 -0.104 0.000 0.785 46 A CB 0.938 19.853 19.000 -0.142 0.000 1.221 46 A HN 1.049 nan 8.150 nan 0.000 0.463 47 N N 1.398 120.044 118.700 -0.091 0.000 2.326 47 N HA -0.011 4.728 4.740 -0.001 0.000 0.239 47 N C 0.298 175.618 175.510 -0.317 0.000 1.301 47 N CA 0.357 53.288 53.050 -0.199 0.000 0.909 47 N CB 0.188 38.611 38.487 -0.107 0.000 1.156 47 N HN 0.598 nan 8.380 nan 0.000 0.462 48 Y N -0.282 119.717 120.300 -0.502 0.000 2.200 48 Y HA -0.026 4.523 4.550 -0.001 0.000 0.290 48 Y C 2.099 177.913 175.900 -0.143 0.000 1.137 48 Y CA 1.235 59.147 58.100 -0.313 0.000 1.163 48 Y CB 0.052 38.277 38.460 -0.391 0.000 0.988 48 Y HN 0.572 nan 8.280 nan 0.000 0.518 49 E N -0.368 119.844 120.200 0.020 0.000 2.515 49 E HA -0.091 4.258 4.350 -0.001 0.000 0.201 49 E C 1.593 178.236 176.600 0.072 0.000 1.071 49 E CA 0.658 57.100 56.400 0.071 0.000 0.880 49 E CB 0.032 29.760 29.700 0.048 0.000 0.828 49 E HN 0.489 nan 8.360 nan 0.000 0.540 50 A N -0.104 122.703 122.820 -0.021 0.000 2.108 50 A HA 0.101 4.421 4.320 -0.001 0.000 0.206 50 A C 2.039 179.617 177.584 -0.011 0.000 1.212 50 A CA -0.025 51.992 52.037 -0.034 0.000 0.843 50 A CB 0.178 19.103 19.000 -0.124 0.000 0.902 50 A HN 0.011 nan 8.150 nan 0.000 0.477 51 R N 1.143 121.576 120.500 -0.112 0.000 2.066 51 R HA -0.073 4.267 4.340 -0.001 0.000 0.232 51 R C 1.349 177.608 176.300 -0.068 0.000 1.131 51 R CA 1.565 57.558 56.100 -0.178 0.000 0.955 51 R CB -0.242 29.770 30.300 -0.479 0.000 0.851 51 R HN 0.537 nan 8.270 nan 0.000 0.432 52 K N -0.375 120.005 120.400 -0.034 0.000 2.773 52 K HA -0.081 4.239 4.320 -0.001 0.000 0.222 52 K C -0.029 176.380 176.600 -0.319 0.000 0.985 52 K CA 0.902 57.093 56.287 -0.160 0.000 1.126 52 K CB 0.082 32.440 32.500 -0.237 0.000 0.919 52 K HN 0.219 nan 8.250 nan 0.000 0.487 53 F N -0.555 119.367 119.950 -0.047 0.000 2.925 53 F HA 0.218 4.744 4.527 -0.001 0.000 0.355 53 F C 1.023 176.804 175.800 -0.032 0.000 1.073 53 F CA 0.014 57.995 58.000 -0.032 0.000 1.127 53 F CB 1.786 40.770 39.000 -0.027 0.000 1.123 53 F HN 0.312 nan 8.300 nan 0.000 0.551 54 G N 1.084 109.938 108.800 0.090 0.000 2.145 54 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.176 54 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.176 54 G C -0.454 174.461 174.900 0.025 0.000 1.013 54 G CA -0.109 45.009 45.100 0.030 0.000 0.689 54 G HN 0.059 nan 8.290 nan 0.000 0.506 55 V N 2.422 122.349 119.914 0.021 0.000 2.217 55 V HA 0.368 4.488 4.120 -0.001 0.000 0.264 55 V C 0.746 176.813 176.094 -0.044 0.000 1.107 55 V CA 0.027 62.330 62.300 0.005 0.000 0.913 55 V CB 0.552 32.382 31.823 0.011 0.000 1.153 55 V HN 0.560 nan 8.190 nan 0.000 0.469 56 K N 2.659 123.031 120.400 -0.048 0.000 2.123 56 K HA 0.844 5.164 4.320 -0.001 0.000 0.259 56 K C 0.146 176.706 176.600 -0.066 0.000 0.960 56 K CA -0.537 55.704 56.287 -0.077 0.000 0.872 56 K CB 1.990 34.447 32.500 -0.070 0.000 1.079 56 K HN 0.378 nan 8.250 nan 0.000 0.440 57 A N 1.403 124.173 122.820 -0.082 0.000 2.603 57 A HA 0.314 4.634 4.320 -0.001 0.000 0.235 57 A C 1.153 178.703 177.584 -0.057 0.000 1.035 57 A CA 0.970 52.962 52.037 -0.074 0.000 0.755 57 A CB -1.142 17.802 19.000 -0.093 0.000 0.954 57 A HN 1.422 nan 8.150 nan 0.000 0.511 58 G N 0.688 109.459 108.800 -0.047 0.000 2.215 58 G HA2 0.144 4.104 3.960 -0.001 0.000 0.198 58 G HA3 0.144 4.104 3.960 -0.001 0.000 0.198 58 G C -0.283 174.600 174.900 -0.029 0.000 1.047 58 G CA 0.346 45.423 45.100 -0.038 0.000 0.747 58 G HN 2.386 nan 8.290 nan 0.000 0.495 59 I N -2.928 117.628 120.570 -0.025 0.000 2.571 59 I HA 0.766 4.935 4.170 -0.001 0.000 0.289 59 I C -2.577 173.536 176.117 -0.006 0.000 1.115 59 I CA -3.449 57.844 61.300 -0.011 0.000 1.045 59 I CB 1.641 39.639 38.000 -0.004 0.000 1.238 59 I HN -0.103 nan 8.210 nan 0.000 0.424 60 P HA 0.169 nan 4.420 nan 0.000 0.266 60 P C 0.824 178.129 177.300 0.008 0.000 1.186 60 P CA 0.207 63.309 63.100 0.003 0.000 0.767 60 P CB 0.596 32.310 31.700 0.023 0.000 0.820 61 I N 1.735 122.299 120.570 -0.010 0.000 3.001 61 I HA -0.171 3.998 4.170 -0.001 0.000 0.268 61 I C 1.825 177.928 176.117 -0.024 0.000 1.267 61 I CA 0.751 62.036 61.300 -0.025 0.000 1.472 61 I CB -0.181 37.760 38.000 -0.099 0.000 1.089 61 I HN 0.205 nan 8.210 nan 0.000 0.468 62 V N -1.392 118.528 119.914 0.010 0.000 2.379 62 V HA -0.147 3.972 4.120 -0.001 0.000 0.245 62 V C 2.247 178.342 176.094 0.002 0.000 1.044 62 V CA 1.322 63.622 62.300 0.001 0.000 1.036 62 V CB -0.810 31.021 31.823 0.014 0.000 0.664 62 V HN 0.230 nan 8.190 nan 0.000 0.453 63 E N 1.429 121.641 120.200 0.019 0.000 2.072 63 E HA -0.010 4.340 4.350 -0.001 0.000 0.191 63 E C 2.301 178.933 176.600 0.052 0.000 0.985 63 E CA 1.725 58.141 56.400 0.028 0.000 0.801 63 E CB -0.849 28.866 29.700 0.025 0.000 0.750 63 E HN 0.618 nan 8.360 nan 0.000 0.452 64 A N 0.750 123.618 122.820 0.080 0.000 1.873 64 A HA -0.183 4.137 4.320 -0.001 0.000 0.215 64 A C 2.049 179.754 177.584 0.203 0.000 1.186 64 A CA 1.693 53.828 52.037 0.164 0.000 0.616 64 A CB -0.447 18.707 19.000 0.257 0.000 0.823 64 A HN 0.143 nan 8.150 nan 0.000 0.442 65 K N -0.193 120.235 120.400 0.047 0.000 2.519 65 K HA -0.090 4.229 4.320 -0.001 0.000 0.196 65 K C 1.140 177.742 176.600 0.004 0.000 1.041 65 K CA 1.369 57.613 56.287 -0.072 0.000 0.954 65 K CB -0.094 32.226 32.500 -0.300 0.000 0.774 65 K HN 0.484 nan 8.250 nan 0.000 0.480 66 K N 0.207 120.621 120.400 0.024 0.000 2.896 66 K HA 0.170 4.490 4.320 -0.001 0.000 0.210 66 K C 0.181 176.797 176.600 0.025 0.000 1.116 66 K CA -0.108 56.188 56.287 0.014 0.000 1.050 66 K CB 0.400 32.899 32.500 -0.001 0.000 0.812 66 K HN 0.045 nan 8.250 nan 0.000 0.462 67 I N -0.627 119.966 120.570 0.039 0.000 3.486 67 I HA 0.067 4.236 4.170 -0.001 0.000 0.263 67 I C 0.072 176.190 176.117 0.002 0.000 1.088 67 I CA -0.380 60.942 61.300 0.036 0.000 1.548 67 I CB 0.706 38.742 38.000 0.060 0.000 1.776 67 I HN 0.045 nan 8.210 nan 0.000 0.397 68 L N 4.430 125.668 121.223 0.025 0.000 2.783 68 L HA 0.238 4.577 4.340 -0.001 0.000 0.235 68 L C -1.544 175.394 176.870 0.114 0.000 1.260 68 L CA -0.943 53.894 54.840 -0.005 0.000 1.184 68 L CB 0.172 42.223 42.059 -0.014 0.000 1.472 68 L HN 0.066 nan 8.230 nan 0.000 0.426 69 P HA -0.129 nan 4.420 nan 0.000 0.236 69 P C 0.196 177.547 177.300 0.086 0.000 1.172 69 P CA 0.992 64.128 63.100 0.061 0.000 0.759 69 P CB 0.172 31.880 31.700 0.013 0.000 0.843 70 N N -0.603 118.157 118.700 0.101 0.000 2.497 70 N HA 0.322 5.061 4.740 -0.001 0.000 0.284 70 N C -0.281 175.303 175.510 0.122 0.000 1.459 70 N CA -0.335 52.772 53.050 0.095 0.000 0.899 70 N CB 0.670 39.174 38.487 0.027 0.000 1.316 70 N HN 0.061 nan 8.380 nan 0.000 0.500 71 A N -0.056 122.913 122.820 0.248 0.000 2.269 71 A HA 0.585 4.904 4.320 -0.001 0.000 0.319 71 A C 0.139 177.741 177.584 0.031 0.000 1.110 71 A CA -0.486 51.545 52.037 -0.008 0.000 0.847 71 A CB 0.611 19.449 19.000 -0.269 0.000 1.161 71 A HN 0.058 nan 8.150 nan 0.000 0.497 72 V N 1.149 121.037 119.914 -0.044 0.000 2.521 72 V HA 0.159 4.278 4.120 -0.001 0.000 0.286 72 V C -0.743 175.340 176.094 -0.019 0.000 1.034 72 V CA 0.284 62.614 62.300 0.050 0.000 1.045 72 V CB -0.925 30.913 31.823 0.025 0.000 0.974 72 V HN 0.606 nan 8.190 nan 0.000 0.480 73 Y N 4.994 125.341 120.300 0.080 0.000 2.387 73 Y HA 0.803 5.353 4.550 -0.001 0.000 0.336 73 Y C 0.049 176.053 175.900 0.174 0.000 1.067 73 Y CA -1.039 57.134 58.100 0.122 0.000 1.114 73 Y CB 1.546 40.097 38.460 0.153 0.000 1.208 73 Y HN 0.445 nan 8.280 nan 0.000 0.458 74 L N 4.359 125.784 121.223 0.336 0.000 2.472 74 L HA 0.528 4.868 4.340 -0.001 0.000 0.260 74 L C -2.665 174.408 176.870 0.339 0.000 0.963 74 L CA -2.295 52.705 54.840 0.267 0.000 0.829 74 L CB 2.806 44.968 42.059 0.172 0.000 1.348 74 L HN 0.397 nan 8.230 nan 0.000 0.408 75 P HA 0.139 nan 4.420 nan 0.000 0.272 75 P C -0.805 176.656 177.300 0.267 0.000 1.230 75 P CA -0.479 62.844 63.100 0.371 0.000 0.788 75 P CB 0.685 32.477 31.700 0.153 0.000 0.949 76 M N 2.152 121.905 119.600 0.256 0.000 2.235 76 M HA 0.189 4.669 4.480 -0.001 0.000 0.351 76 M C 0.328 176.729 176.300 0.169 0.000 1.178 76 M CA 0.218 55.652 55.300 0.223 0.000 1.143 76 M CB 0.413 33.119 32.600 0.177 0.000 1.530 76 M HN 0.198 nan 8.290 nan 0.000 0.461 77 R N 3.411 124.024 120.500 0.189 0.000 2.835 77 R HA 0.108 4.448 4.340 -0.001 0.000 0.290 77 R C 0.380 176.293 176.300 -0.645 0.000 1.410 77 R CA -0.287 55.694 56.100 -0.199 0.000 1.590 77 R CB 0.474 30.611 30.300 -0.272 0.000 1.288 77 R HN 0.661 nan 8.270 nan 0.000 0.637 78 K N 1.122 121.471 120.400 -0.084 0.000 2.152 78 K HA -0.172 4.148 4.320 -0.001 0.000 0.206 78 K C 1.043 177.559 176.600 -0.141 0.000 1.048 78 K CA 1.711 58.053 56.287 0.091 0.000 0.933 78 K CB 0.372 32.927 32.500 0.092 0.000 0.721 78 K HN 0.154 nan 8.250 nan 0.000 0.447 79 E N -0.317 119.756 120.200 -0.211 0.000 2.153 79 E HA -0.114 4.235 4.350 -0.001 0.000 0.194 79 E C 1.830 178.311 176.600 -0.198 0.000 0.988 79 E CA 1.212 57.519 56.400 -0.155 0.000 0.811 79 E CB -0.118 29.490 29.700 -0.154 0.000 0.746 79 E HN 0.118 nan 8.360 nan 0.000 0.466 80 V N 0.368 120.043 119.914 -0.398 0.000 2.307 80 V HA -0.273 3.847 4.120 -0.001 0.000 0.245 80 V C 1.766 177.667 176.094 -0.320 0.000 1.045 80 V CA 1.845 63.904 62.300 -0.401 0.000 1.024 80 V CB -0.772 30.689 31.823 -0.604 0.000 0.651 80 V HN 0.245 nan 8.190 nan 0.000 0.449 81 Y N 0.116 120.302 120.300 -0.189 0.000 2.089 81 Y HA -0.172 4.379 4.550 0.002 0.000 0.282 81 Y C 2.764 178.723 175.900 0.098 0.000 1.139 81 Y CA 1.063 59.001 58.100 -0.269 0.000 1.123 81 Y CB -1.213 36.928 38.460 -0.532 0.000 0.980 81 Y HN 0.085 nan 8.280 nan 0.000 0.493 82 Q N 0.243 120.171 119.800 0.213 0.000 2.152 82 Q HA -0.245 4.094 4.340 -0.001 0.000 0.206 82 Q C 2.222 178.302 176.000 0.134 0.000 0.985 82 Q CA 1.557 57.475 55.803 0.193 0.000 0.863 82 Q CB -0.285 28.519 28.738 0.109 0.000 0.904 82 Q HN 0.546 nan 8.270 nan 0.000 0.422 83 Q N -0.339 119.489 119.800 0.046 0.000 2.123 83 Q HA -0.066 4.273 4.340 -0.001 0.000 0.199 83 Q C 2.151 178.190 176.000 0.066 0.000 0.966 83 Q CA 0.833 56.654 55.803 0.029 0.000 0.845 83 Q CB 0.061 28.780 28.738 -0.033 0.000 0.907 83 Q HN 0.229 nan 8.270 nan 0.000 0.439 84 V N 0.035 120.001 119.914 0.087 0.000 2.323 84 V HA -0.191 3.929 4.120 -0.001 0.000 0.244 84 V C 2.453 178.678 176.094 0.217 0.000 1.041 84 V CA 1.606 63.975 62.300 0.115 0.000 1.025 84 V CB -0.769 31.125 31.823 0.118 0.000 0.656 84 V HN 0.312 nan 8.190 nan 0.000 0.451 85 S N 0.530 116.474 115.700 0.406 0.000 2.401 85 S HA -0.321 4.148 4.470 -0.001 0.000 0.236 85 S C 2.201 176.948 174.600 0.245 0.000 1.058 85 S CA 2.641 61.115 58.200 0.456 0.000 1.151 85 S CB -0.486 62.963 63.200 0.416 0.000 1.049 85 S HN 0.665 nan 8.310 nan 0.000 0.432 86 S N 1.229 117.035 115.700 0.176 0.000 2.419 86 S HA -0.026 4.444 4.470 -0.001 0.000 0.233 86 S C 1.805 176.456 174.600 0.085 0.000 1.016 86 S CA 0.876 59.144 58.200 0.114 0.000 0.974 86 S CB -0.342 62.910 63.200 0.088 0.000 0.786 86 S HN 0.514 nan 8.310 nan 0.000 0.492 87 R N 0.638 121.183 120.500 0.075 0.000 2.152 87 R HA 0.067 4.407 4.340 -0.001 0.000 0.232 87 R C 1.825 178.142 176.300 0.027 0.000 1.117 87 R CA 1.044 57.170 56.100 0.042 0.000 0.981 87 R CB -0.376 29.939 30.300 0.025 0.000 0.870 87 R HN 0.438 nan 8.270 nan 0.000 0.451 88 I N -0.169 120.413 120.570 0.020 0.000 3.035 88 I HA -0.117 4.053 4.170 -0.001 0.000 0.271 88 I C 2.003 178.132 176.117 0.020 0.000 1.190 88 I CA 0.317 61.589 61.300 -0.048 0.000 1.472 88 I CB 0.013 37.889 38.000 -0.207 0.000 1.116 88 I HN 0.083 nan 8.210 nan 0.000 0.443 89 M N 0.505 120.158 119.600 0.090 0.000 2.099 89 M HA -0.110 4.369 4.480 -0.001 0.000 0.262 89 M C 1.815 178.161 176.300 0.077 0.000 1.067 89 M CA 1.556 56.917 55.300 0.101 0.000 1.124 89 M CB -1.386 31.274 32.600 0.101 0.000 1.353 89 M HN 0.207 nan 8.290 nan 0.000 0.410 90 N N 0.744 119.484 118.700 0.067 0.000 2.520 90 N HA -0.085 4.654 4.740 -0.001 0.000 0.185 90 N C 1.632 177.185 175.510 0.072 0.000 1.068 90 N CA 0.572 53.659 53.050 0.062 0.000 0.911 90 N CB -0.048 38.468 38.487 0.049 0.000 0.961 90 N HN 0.422 nan 8.380 nan 0.000 0.446 91 L N 0.104 121.367 121.223 0.068 0.000 2.558 91 L HA 0.145 4.485 4.340 -0.001 0.000 0.225 91 L C 1.251 178.233 176.870 0.187 0.000 1.128 91 L CA 0.273 55.173 54.840 0.100 0.000 0.868 91 L CB 0.077 42.169 42.059 0.055 0.000 1.006 91 L HN 0.021 nan 8.230 nan 0.000 0.454 92 L N -0.759 120.546 121.223 0.135 0.000 2.307 92 L HA 0.062 4.402 4.340 -0.001 0.000 0.211 92 L C 2.499 179.543 176.870 0.291 0.000 1.099 92 L CA 0.261 55.187 54.840 0.143 0.000 0.816 92 L CB -0.354 41.730 42.059 0.042 0.000 0.952 92 L HN 0.179 nan 8.230 nan 0.000 0.455 93 R N 0.821 121.430 120.500 0.182 0.000 2.237 93 R HA -0.107 4.233 4.340 -0.001 0.000 0.219 93 R C 1.024 177.386 176.300 0.104 0.000 1.080 93 R CA 0.746 56.925 56.100 0.132 0.000 0.995 93 R CB -0.244 30.107 30.300 0.083 0.000 0.875 93 R HN 0.479 nan 8.270 nan 0.000 0.462 94 E N -0.363 119.898 120.200 0.103 0.000 2.438 94 E HA -0.084 4.266 4.350 -0.001 0.000 0.192 94 E C 0.070 176.470 176.600 -0.333 0.000 1.110 94 E CA 0.482 56.823 56.400 -0.098 0.000 0.893 94 E CB 0.204 29.802 29.700 -0.170 0.000 0.990 94 E HN 0.444 nan 8.360 nan 0.000 0.490 95 Y N -1.396 118.909 120.300 0.008 0.000 2.731 95 Y HA 0.255 4.804 4.550 -0.002 0.000 0.269 95 Y C 0.814 176.723 175.900 0.015 0.000 1.156 95 Y CA -0.231 57.874 58.100 0.009 0.000 1.191 95 Y CB 1.151 39.614 38.460 0.006 0.000 1.382 95 Y HN -0.161 nan 8.280 nan 0.000 0.477 96 S N -0.281 115.531 115.700 0.186 0.000 2.550 96 S HA 0.249 4.719 4.470 -0.001 0.000 0.270 96 S C 0.221 174.872 174.600 0.085 0.000 1.145 96 S CA -0.617 57.649 58.200 0.109 0.000 0.852 96 S CB 1.106 64.371 63.200 0.108 0.000 1.119 96 S HN 0.292 nan 8.310 nan 0.000 0.465 97 E N 2.280 122.516 120.200 0.060 0.000 2.076 97 E HA 0.012 4.361 4.350 -0.001 0.000 0.190 97 E C -0.183 176.453 176.600 0.060 0.000 0.979 97 E CA 0.561 56.993 56.400 0.053 0.000 0.807 97 E CB -0.277 29.446 29.700 0.038 0.000 0.761 97 E HN 0.481 nan 8.360 nan 0.000 0.454 98 K N 1.643 122.080 120.400 0.062 0.000 2.034 98 K HA 0.196 4.515 4.320 -0.001 0.000 0.225 98 K C -0.151 176.505 176.600 0.092 0.000 1.190 98 K CA 0.168 56.496 56.287 0.069 0.000 1.152 98 K CB -0.070 32.468 32.500 0.062 0.000 1.300 98 K HN 0.189 nan 8.250 nan 0.000 0.268 99 I N 1.397 122.024 120.570 0.094 0.000 2.582 99 I HA 0.205 4.375 4.170 -0.001 0.000 0.292 99 I C -1.250 174.935 176.117 0.114 0.000 1.066 99 I CA -0.644 60.722 61.300 0.110 0.000 1.053 99 I CB 2.007 40.063 38.000 0.092 0.000 1.241 99 I HN 0.497 nan 8.210 nan 0.000 0.421 100 E N 8.308 128.603 120.200 0.160 0.000 2.244 100 E HA 0.393 4.743 4.350 -0.001 0.000 0.260 100 E C -1.724 174.996 176.600 0.201 0.000 0.884 100 E CA -0.644 55.858 56.400 0.171 0.000 0.777 100 E CB 1.650 31.461 29.700 0.184 0.000 1.197 100 E HN 0.596 nan 8.360 nan 0.000 0.416 101 I N 4.734 125.375 120.570 0.118 0.000 2.301 101 I HA 0.227 4.396 4.170 -0.001 0.000 0.292 101 I C 0.899 177.060 176.117 0.072 0.000 1.046 101 I CA -0.064 61.272 61.300 0.060 0.000 1.282 101 I CB 1.427 39.450 38.000 0.039 0.000 1.409 101 I HN 0.745 nan 8.210 nan 0.000 0.484 102 A N 4.639 127.501 122.820 0.070 0.000 1.956 102 A HA 0.173 4.492 4.320 -0.001 0.000 0.212 102 A C 0.942 178.547 177.584 0.034 0.000 1.188 102 A CA 0.909 53.014 52.037 0.113 0.000 0.675 102 A CB 0.105 19.251 19.000 0.243 0.000 0.845 102 A HN 0.663 nan 8.150 nan 0.000 0.455 103 S N -2.613 113.062 115.700 -0.042 0.000 2.625 103 S HA 0.465 4.935 4.470 -0.001 0.000 0.271 103 S C 0.658 175.196 174.600 -0.103 0.000 1.161 103 S CA 0.036 58.208 58.200 -0.047 0.000 0.820 103 S CB 0.279 63.444 63.200 -0.058 0.000 1.137 103 S HN 0.394 nan 8.310 nan 0.000 0.470 104 I N 0.905 121.464 120.570 -0.020 0.000 2.285 104 I HA -0.262 3.907 4.170 -0.001 0.000 0.253 104 I C 0.594 176.522 176.117 -0.316 0.000 1.104 104 I CA 2.508 63.810 61.300 0.003 0.000 1.372 104 I CB -0.175 37.974 38.000 0.247 0.000 1.057 104 I HN 0.894 nan 8.210 nan 0.000 0.431 105 D N -0.742 119.353 120.400 -0.509 0.000 2.891 105 D HA 0.299 4.939 4.640 -0.001 0.000 0.312 105 D C -0.415 175.155 176.300 -1.217 0.000 1.354 105 D CA -0.343 52.952 54.000 -1.174 0.000 0.838 105 D CB 0.187 40.466 40.800 -0.869 0.000 1.117 105 D HN 0.301 nan 8.370 nan 0.000 0.473 106 E N -0.522 119.133 120.200 -0.908 0.000 2.363 106 E HA 0.709 5.059 4.350 -0.001 0.000 0.281 106 E C -1.591 174.732 176.600 -0.462 0.000 0.953 106 E CA -1.097 54.903 56.400 -0.667 0.000 0.778 106 E CB 2.196 31.724 29.700 -0.287 0.000 1.220 106 E HN 0.220 nan 8.360 nan 0.000 0.431 107 A N 1.762 124.282 122.820 -0.499 0.000 2.609 107 A HA 0.815 5.134 4.320 -0.001 0.000 0.291 107 A C -2.076 175.291 177.584 -0.362 0.000 1.096 107 A CA -0.579 51.296 52.037 -0.269 0.000 0.684 107 A CB 1.021 19.910 19.000 -0.186 0.000 1.282 107 A HN 0.473 nan 8.150 nan 0.000 0.412 108 Y N -1.032 119.330 120.300 0.104 0.000 2.545 108 Y HA 0.754 5.304 4.550 -0.001 0.000 0.348 108 Y C -0.522 175.434 175.900 0.094 0.000 1.002 108 Y CA -0.861 57.338 58.100 0.166 0.000 1.039 108 Y CB 2.289 40.851 38.460 0.168 0.000 1.271 108 Y HN 0.547 nan 8.280 nan 0.000 0.467 109 L N 2.325 123.695 121.223 0.245 0.000 2.528 109 L HA 0.294 4.634 4.340 -0.001 0.000 0.267 109 L C -1.268 175.689 176.870 0.146 0.000 0.961 109 L CA -0.602 54.330 54.840 0.153 0.000 0.866 109 L CB 1.818 43.930 42.059 0.087 0.000 1.248 109 L HN 0.568 nan 8.230 nan 0.000 0.404 110 D N 4.804 125.279 120.400 0.125 0.000 2.483 110 D HA 0.121 4.761 4.640 -0.001 0.000 0.220 110 D C 0.617 176.965 176.300 0.080 0.000 1.173 110 D CA -0.294 53.766 54.000 0.100 0.000 0.964 110 D CB 0.664 41.513 40.800 0.082 0.000 1.046 110 D HN 0.400 nan 8.370 nan 0.000 0.517 111 I N 0.891 121.506 120.570 0.075 0.000 3.585 111 I HA 0.154 4.324 4.170 -0.001 0.000 0.325 111 I C 0.516 176.651 176.117 0.029 0.000 1.370 111 I CA -0.214 61.122 61.300 0.060 0.000 1.298 111 I CB -0.537 37.502 38.000 0.064 0.000 1.387 111 I HN -0.015 nan 8.210 nan 0.000 0.466 112 S N 2.132 117.848 115.700 0.026 0.000 2.343 112 S HA -0.150 4.320 4.470 -0.001 0.000 0.212 112 S C 1.258 175.853 174.600 -0.009 0.000 1.033 112 S CA 1.787 59.986 58.200 -0.000 0.000 1.004 112 S CB -0.181 63.024 63.200 0.008 0.000 0.977 112 S HN 0.574 nan 8.310 nan 0.000 0.427 113 D N 1.409 121.810 120.400 0.002 0.000 2.154 113 D HA -0.103 4.536 4.640 -0.001 0.000 0.190 113 D C 0.247 176.551 176.300 0.005 0.000 1.003 113 D CA 1.279 55.280 54.000 0.002 0.000 0.849 113 D CB -0.243 40.562 40.800 0.010 0.000 0.942 113 D HN 0.164 nan 8.370 nan 0.000 0.446 114 K N 0.509 120.920 120.400 0.019 0.000 2.237 114 K HA 0.341 4.661 4.320 -0.001 0.000 0.283 114 K C -0.580 176.034 176.600 0.024 0.000 1.080 114 K CA -0.190 56.114 56.287 0.027 0.000 0.965 114 K CB 0.374 32.908 32.500 0.057 0.000 1.098 114 K HN -0.067 nan 8.250 nan 0.000 0.434 115 V N 1.847 121.769 119.914 0.013 0.000 3.559 115 V HA -0.233 3.886 4.120 -0.001 0.000 0.476 115 V C -0.333 175.757 176.094 -0.006 0.000 0.682 115 V CA 0.517 62.826 62.300 0.014 0.000 1.988 115 V CB -0.485 31.359 31.823 0.036 0.000 2.423 115 V HN 0.842 nan 8.190 nan 0.000 0.500 116 R N 4.095 124.582 120.500 -0.022 0.000 2.278 116 R HA 0.623 4.963 4.340 -0.001 0.000 0.322 116 R C -0.627 175.646 176.300 -0.044 0.000 1.058 116 R CA -0.159 55.906 56.100 -0.059 0.000 0.991 116 R CB 0.861 31.105 30.300 -0.093 0.000 1.140 116 R HN 0.793 nan 8.270 nan 0.000 0.518 117 D N 2.162 122.547 120.400 -0.025 0.000 2.951 117 D HA -0.081 4.559 4.640 -0.001 0.000 0.262 117 D C -0.527 175.779 176.300 0.011 0.000 1.110 117 D CA -0.494 53.538 54.000 0.054 0.000 0.724 117 D CB 0.334 41.177 40.800 0.072 0.000 1.516 117 D HN 0.204 nan 8.370 nan 0.000 0.447 118 Y N 1.494 121.878 120.300 0.139 0.000 2.286 118 Y HA 0.034 4.583 4.550 -0.001 0.000 0.293 118 Y C 2.604 178.577 175.900 0.122 0.000 1.124 118 Y CA 1.699 59.868 58.100 0.114 0.000 1.178 118 Y CB 0.005 38.500 38.460 0.058 0.000 1.010 118 Y HN 0.412 nan 8.280 nan 0.000 0.536 119 R N 1.093 121.731 120.500 0.230 0.000 2.109 119 R HA -0.226 4.114 4.340 -0.001 0.000 0.227 119 R C 1.885 178.287 176.300 0.169 0.000 1.132 119 R CA 2.368 58.563 56.100 0.158 0.000 0.907 119 R CB -0.530 29.829 30.300 0.100 0.000 0.825 119 R HN 0.358 nan 8.270 nan 0.000 0.432 120 E N 0.132 120.403 120.200 0.119 0.000 2.136 120 E HA -0.287 4.063 4.350 -0.001 0.000 0.202 120 E C 1.970 178.634 176.600 0.107 0.000 1.019 120 E CA 1.651 58.108 56.400 0.095 0.000 0.819 120 E CB -0.270 29.466 29.700 0.060 0.000 0.739 120 E HN 0.603 nan 8.360 nan 0.000 0.458 121 A N 0.805 123.690 122.820 0.108 0.000 1.872 121 A HA -0.181 4.138 4.320 -0.001 0.000 0.214 121 A C 2.018 179.687 177.584 0.142 0.000 1.187 121 A CA 1.218 53.312 52.037 0.095 0.000 0.614 121 A CB -0.823 18.195 19.000 0.030 0.000 0.826 121 A HN 0.343 nan 8.150 nan 0.000 0.442 122 Y N 1.675 122.027 120.300 0.087 0.000 2.069 122 Y HA -0.333 4.217 4.550 0.000 0.000 0.278 122 Y C 2.378 178.309 175.900 0.052 0.000 1.175 122 Y CA 2.373 60.520 58.100 0.077 0.000 1.134 122 Y CB -0.300 38.209 38.460 0.082 0.000 0.965 122 Y HN 0.343 nan 8.280 nan 0.000 0.498 123 N N 0.170 118.999 118.700 0.214 0.000 2.069 123 N HA -0.200 4.539 4.740 -0.001 0.000 0.191 123 N C 1.859 177.381 175.510 0.020 0.000 1.031 123 N CA 1.573 54.695 53.050 0.119 0.000 0.852 123 N CB -0.791 37.784 38.487 0.147 0.000 1.018 123 N HN 0.392 nan 8.380 nan 0.000 0.423 124 L N 1.257 122.502 121.223 0.036 0.000 2.187 124 L HA -0.014 4.326 4.340 -0.001 0.000 0.213 124 L C 1.954 178.793 176.870 -0.052 0.000 1.100 124 L CA 1.508 56.370 54.840 0.037 0.000 0.765 124 L CB -1.126 40.976 42.059 0.070 0.000 0.904 124 L HN 0.103 nan 8.230 nan 0.000 0.437 125 G N -0.486 108.247 108.800 -0.111 0.000 2.464 125 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.214 125 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.214 125 G C 1.579 176.364 174.900 -0.192 0.000 1.218 125 G CA 0.741 45.731 45.100 -0.184 0.000 0.794 125 G HN 0.389 nan 8.290 nan 0.000 0.542 126 L N 0.300 121.387 121.223 -0.226 0.000 2.189 126 L HA -0.142 4.198 4.340 -0.001 0.000 0.214 126 L C 2.878 179.700 176.870 -0.080 0.000 1.097 126 L CA 1.249 55.995 54.840 -0.156 0.000 0.764 126 L CB -0.319 41.661 42.059 -0.130 0.000 0.900 126 L HN 0.361 nan 8.230 nan 0.000 0.436 127 E N 0.091 120.264 120.200 -0.045 0.000 2.028 127 E HA -0.189 4.161 4.350 -0.001 0.000 0.191 127 E C 2.235 178.818 176.600 -0.028 0.000 0.988 127 E CA 1.235 57.646 56.400 0.019 0.000 0.799 127 E CB 0.028 29.796 29.700 0.113 0.000 0.755 127 E HN 0.446 nan 8.360 nan 0.000 0.447 128 I N 0.857 121.327 120.570 -0.167 0.000 2.202 128 I HA -0.236 3.933 4.170 -0.001 0.000 0.242 128 I C 2.488 178.480 176.117 -0.209 0.000 1.091 128 I CA 1.046 62.147 61.300 -0.331 0.000 1.368 128 I CB -0.513 37.154 38.000 -0.555 0.000 1.058 128 I HN 0.039 nan 8.210 nan 0.000 0.410 129 K N 1.544 121.839 120.400 -0.176 0.000 2.189 129 K HA -0.284 4.036 4.320 -0.001 0.000 0.207 129 K C 1.887 178.423 176.600 -0.107 0.000 1.046 129 K CA 2.178 58.381 56.287 -0.139 0.000 0.928 129 K CB -0.129 32.292 32.500 -0.131 0.000 0.720 129 K HN 0.236 nan 8.250 nan 0.000 0.458 130 N N 0.415 119.063 118.700 -0.086 0.000 2.182 130 N HA -0.101 4.639 4.740 -0.001 0.000 0.186 130 N C 1.462 176.951 175.510 -0.035 0.000 1.036 130 N CA 1.392 54.413 53.050 -0.049 0.000 0.850 130 N CB -0.168 38.302 38.487 -0.028 0.000 1.010 130 N HN 0.047 nan 8.380 nan 0.000 0.432 131 K N 0.797 121.186 120.400 -0.018 0.000 2.059 131 K HA -0.042 4.277 4.320 -0.001 0.000 0.212 131 K C 1.939 178.519 176.600 -0.032 0.000 1.050 131 K CA 1.408 57.696 56.287 0.002 0.000 0.927 131 K CB -0.551 31.985 32.500 0.059 0.000 0.714 131 K HN 0.305 nan 8.250 nan 0.000 0.447 132 I N 0.168 120.693 120.570 -0.076 0.000 2.208 132 I HA -0.277 3.893 4.170 -0.001 0.000 0.245 132 I C 2.065 178.123 176.117 -0.098 0.000 1.097 132 I CA 0.559 61.792 61.300 -0.112 0.000 1.363 132 I CB -0.356 37.534 38.000 -0.184 0.000 1.051 132 I HN 0.224 nan 8.210 nan 0.000 0.413 133 L N 1.309 122.484 121.223 -0.081 0.000 1.933 133 L HA -0.284 4.056 4.340 -0.001 0.000 0.220 133 L C 2.420 179.264 176.870 -0.044 0.000 1.078 133 L CA 2.267 57.070 54.840 -0.062 0.000 0.773 133 L CB -1.122 40.910 42.059 -0.045 0.000 0.890 133 L HN 0.293 nan 8.230 nan 0.000 0.434 134 E N -0.032 120.150 120.200 -0.031 0.000 2.028 134 E HA -0.370 3.980 4.350 -0.001 0.000 0.217 134 E C 2.240 178.827 176.600 -0.021 0.000 1.039 134 E CA 2.331 58.720 56.400 -0.019 0.000 0.882 134 E CB -0.462 29.231 29.700 -0.012 0.000 0.794 134 E HN 0.376 nan 8.360 nan 0.000 0.488 135 K N -0.689 119.698 120.400 -0.021 0.000 2.444 135 K HA -0.199 4.120 4.320 -0.001 0.000 0.200 135 K C 0.669 177.252 176.600 -0.029 0.000 1.045 135 K CA 1.718 57.993 56.287 -0.020 0.000 0.934 135 K CB 0.201 32.691 32.500 -0.017 0.000 0.756 135 K HN 0.174 nan 8.250 nan 0.000 0.477 136 E N -0.830 119.346 120.200 -0.040 0.000 2.614 136 E HA 0.030 4.380 4.350 -0.001 0.000 0.192 136 E C -0.902 175.670 176.600 -0.046 0.000 0.930 136 E CA 0.002 56.373 56.400 -0.048 0.000 1.346 136 E CB 0.896 30.550 29.700 -0.076 0.000 1.252 136 E HN 0.029 nan 8.360 nan 0.000 0.647 137 K N 0.276 120.653 120.400 -0.039 0.000 3.393 137 K HA -0.151 4.169 4.320 -0.001 0.000 0.272 137 K C -0.486 176.090 176.600 -0.040 0.000 1.004 137 K CA 0.626 56.896 56.287 -0.029 0.000 0.764 137 K CB -1.861 30.630 32.500 -0.016 0.000 1.373 137 K HN 0.339 nan 8.250 nan 0.000 0.458 138 I N -0.149 120.383 120.570 -0.063 0.000 2.753 138 I HA 0.101 4.270 4.170 -0.001 0.000 0.291 138 I C 0.125 176.180 176.117 -0.104 0.000 1.425 138 I CA -0.701 60.546 61.300 -0.087 0.000 1.039 138 I CB 2.396 40.322 38.000 -0.124 0.000 1.349 138 I HN 0.229 nan 8.210 nan 0.000 0.430 139 T N 3.170 117.676 114.554 -0.079 0.000 2.829 139 T HA 0.843 5.193 4.350 -0.001 0.000 0.282 139 T C -0.416 174.247 174.700 -0.062 0.000 0.990 139 T CA -0.630 61.437 62.100 -0.056 0.000 1.028 139 T CB 1.844 70.712 68.868 -0.000 0.000 0.951 139 T HN 0.602 nan 8.240 nan 0.000 0.460 140 V N -0.421 119.461 119.914 -0.053 0.000 3.206 140 V HA 0.903 5.022 4.120 -0.001 0.000 0.305 140 V C -0.894 175.176 176.094 -0.040 0.000 1.257 140 V CA -1.056 61.233 62.300 -0.019 0.000 1.057 140 V CB 1.883 33.691 31.823 -0.025 0.000 1.075 140 V HN 1.084 nan 8.190 nan 0.000 0.443 141 T N 1.199 115.725 114.554 -0.047 0.000 2.786 141 T HA 0.725 5.074 4.350 -0.001 0.000 0.283 141 T C -0.286 174.360 174.700 -0.090 0.000 0.992 141 T CA -0.456 61.614 62.100 -0.050 0.000 0.954 141 T CB 1.299 70.168 68.868 0.002 0.000 0.934 141 T HN 0.798 nan 8.240 nan 0.000 0.440 142 V N 1.950 121.818 119.914 -0.077 0.000 2.997 142 V HA 0.907 5.027 4.120 -0.001 0.000 0.311 142 V C 0.768 176.881 176.094 0.031 0.000 1.066 142 V CA -0.300 61.957 62.300 -0.071 0.000 1.039 142 V CB 1.756 33.518 31.823 -0.102 0.000 1.081 142 V HN 1.187 nan 8.190 nan 0.000 0.467 143 G N 2.107 110.976 108.800 0.114 0.000 2.768 143 G HA2 0.700 4.660 3.960 -0.001 0.000 0.297 143 G HA3 0.700 4.660 3.960 -0.001 0.000 0.297 143 G C -1.740 173.290 174.900 0.216 0.000 1.430 143 G CA -0.390 44.826 45.100 0.193 0.000 1.030 143 G HN 0.538 nan 8.290 nan 0.000 0.553 144 I N 0.741 121.440 120.570 0.215 0.000 2.827 144 I HA 0.780 4.950 4.170 -0.001 0.000 0.298 144 I C 0.042 176.335 176.117 0.294 0.000 1.235 144 I CA -0.647 60.800 61.300 0.244 0.000 1.021 144 I CB 2.446 40.592 38.000 0.244 0.000 1.259 144 I HN 0.722 nan 8.210 nan 0.000 0.427 145 S N 2.289 118.183 115.700 0.323 0.000 3.178 145 S HA 0.289 4.759 4.470 -0.001 0.000 0.300 145 S C -0.727 174.048 174.600 0.293 0.000 1.242 145 S CA -0.372 58.029 58.200 0.335 0.000 1.291 145 S CB 0.675 64.032 63.200 0.262 0.000 1.484 145 S HN 0.688 nan 8.310 nan 0.000 0.468 146 K N 0.738 121.268 120.400 0.217 0.000 2.353 146 K HA 0.362 4.682 4.320 -0.001 0.000 0.195 146 K C 0.139 176.845 176.600 0.177 0.000 1.031 146 K CA 0.071 56.466 56.287 0.181 0.000 1.079 146 K CB -0.150 32.416 32.500 0.111 0.000 0.857 146 K HN 0.478 nan 8.250 nan 0.000 0.535 147 N N -0.519 118.294 118.700 0.189 0.000 3.179 147 N HA 0.123 4.863 4.740 -0.001 0.000 0.250 147 N C -0.290 175.263 175.510 0.072 0.000 1.507 147 N CA -1.062 52.080 53.050 0.153 0.000 0.883 147 N CB 0.675 39.254 38.487 0.154 0.000 1.435 147 N HN -0.267 nan 8.380 nan 0.000 0.532 148 K N -0.387 119.993 120.400 -0.033 0.000 2.211 148 K HA 0.020 4.340 4.320 -0.001 0.000 0.203 148 K C 1.264 177.759 176.600 -0.175 0.000 1.050 148 K CA 1.309 57.501 56.287 -0.158 0.000 0.945 148 K CB -0.254 31.989 32.500 -0.428 0.000 0.732 148 K HN 0.353 nan 8.250 nan 0.000 0.451 149 V N 0.529 120.248 119.914 -0.324 0.000 2.346 149 V HA -0.169 3.950 4.120 -0.001 0.000 0.244 149 V C 1.966 177.761 176.094 -0.498 0.000 1.037 149 V CA 1.559 63.593 62.300 -0.443 0.000 1.029 149 V CB -0.552 30.901 31.823 -0.616 0.000 0.663 149 V HN 0.093 nan 8.190 nan 0.000 0.454 150 F N 0.857 120.720 119.950 -0.145 0.000 2.206 150 F HA 0.056 4.583 4.527 -0.001 0.000 0.298 150 F C 2.470 178.248 175.800 -0.036 0.000 1.090 150 F CA 1.085 59.037 58.000 -0.080 0.000 1.323 150 F CB -0.883 38.084 39.000 -0.056 0.000 1.028 150 F HN 0.053 nan 8.300 nan 0.000 0.492 151 A N 0.461 123.369 122.820 0.148 0.000 1.873 151 A HA -0.324 3.995 4.320 -0.001 0.000 0.218 151 A C 2.172 179.734 177.584 -0.038 0.000 1.193 151 A CA 2.370 54.496 52.037 0.148 0.000 0.629 151 A CB -0.878 18.262 19.000 0.233 0.000 0.826 151 A HN 0.327 nan 8.150 nan 0.000 0.447 152 K N -0.517 119.690 120.400 -0.321 0.000 2.026 152 K HA -0.103 4.217 4.320 -0.001 0.000 0.208 152 K C 1.698 178.149 176.600 -0.249 0.000 1.048 152 K CA 1.697 57.597 56.287 -0.645 0.000 0.929 152 K CB -0.465 31.651 32.500 -0.640 0.000 0.713 152 K HN 0.371 nan 8.250 nan 0.000 0.439 153 I N 1.115 121.555 120.570 -0.217 0.000 2.099 153 I HA -0.326 3.844 4.170 -0.001 0.000 0.239 153 I C 2.262 178.373 176.117 -0.010 0.000 1.066 153 I CA 1.645 62.862 61.300 -0.138 0.000 1.324 153 I CB -0.603 37.269 38.000 -0.215 0.000 1.037 153 I HN 0.386 nan 8.210 nan 0.000 0.401 154 A N 0.582 123.437 122.820 0.059 0.000 1.887 154 A HA -0.430 3.890 4.320 -0.001 0.000 0.225 154 A C 2.473 180.122 177.584 0.108 0.000 1.464 154 A CA 3.421 55.524 52.037 0.111 0.000 0.717 154 A CB -1.674 17.418 19.000 0.152 0.000 0.848 154 A HN 0.543 nan 8.150 nan 0.000 0.477 155 A N -0.859 122.053 122.820 0.153 0.000 1.863 155 A HA -0.353 3.966 4.320 -0.001 0.000 0.218 155 A C 1.751 179.406 177.584 0.119 0.000 1.233 155 A CA 2.684 54.831 52.037 0.182 0.000 0.655 155 A CB -1.346 17.906 19.000 0.420 0.000 0.839 155 A HN 0.575 nan 8.150 nan 0.000 0.454 156 D N -0.220 120.234 120.400 0.091 0.000 2.248 156 D HA -0.256 4.383 4.640 -0.001 0.000 0.191 156 D C 2.005 178.337 176.300 0.054 0.000 1.013 156 D CA 2.329 56.364 54.000 0.057 0.000 0.883 156 D CB -0.399 40.406 40.800 0.009 0.000 0.915 156 D HN 0.751 nan 8.370 nan 0.000 0.448 157 M N -1.888 117.742 119.600 0.051 0.000 2.506 157 M HA 0.271 4.751 4.480 -0.001 0.000 0.260 157 M C 1.889 178.217 176.300 0.047 0.000 1.104 157 M CA 1.127 56.453 55.300 0.044 0.000 1.112 157 M CB 0.326 32.949 32.600 0.038 0.000 1.401 157 M HN -0.051 nan 8.290 nan 0.000 0.473 158 A N 1.805 124.658 122.820 0.055 0.000 2.044 158 A HA 0.116 4.436 4.320 -0.001 0.000 0.213 158 A C 1.026 178.627 177.584 0.028 0.000 1.169 158 A CA -0.150 51.913 52.037 0.044 0.000 0.724 158 A CB -0.182 18.850 19.000 0.053 0.000 0.840 158 A HN 0.559 nan 8.150 nan 0.000 0.463 159 K N 1.361 121.787 120.400 0.045 0.000 2.440 159 K HA 0.241 4.561 4.320 -0.001 0.000 0.270 159 K C -2.638 173.947 176.600 -0.024 0.000 0.980 159 K CA -0.921 55.385 56.287 0.032 0.000 0.953 159 K CB -0.265 32.292 32.500 0.094 0.000 0.925 159 K HN 0.136 nan 8.250 nan 0.000 0.497 160 P HA 0.096 nan 4.420 nan 0.000 0.290 160 P C -0.475 176.761 177.300 -0.107 0.000 1.275 160 P CA -0.400 62.600 63.100 -0.168 0.000 0.841 160 P CB 0.941 32.326 31.700 -0.525 0.000 1.042 161 N N -0.179 118.497 118.700 -0.039 0.000 2.862 161 N HA -0.094 4.646 4.740 -0.001 0.000 0.248 161 N C 0.031 175.525 175.510 -0.027 0.000 1.116 161 N CA 0.995 54.027 53.050 -0.031 0.000 0.727 161 N CB -1.282 37.186 38.487 -0.033 0.000 1.083 161 N HN 0.741 nan 8.380 nan 0.000 0.555 162 G N 0.357 109.147 108.800 -0.017 0.000 3.119 162 G HA2 0.805 4.764 3.960 -0.001 0.000 0.206 162 G HA3 0.805 4.764 3.960 -0.001 0.000 0.206 162 G C -0.635 174.257 174.900 -0.014 0.000 1.313 162 G CA -0.259 44.837 45.100 -0.005 0.000 1.010 162 G HN 0.340 nan 8.290 nan 0.000 0.578 163 I N -1.133 119.445 120.570 0.013 0.000 2.731 163 I HA 0.623 4.793 4.170 -0.001 0.000 0.289 163 I C -1.834 174.351 176.117 0.114 0.000 1.399 163 I CA -0.734 60.564 61.300 -0.003 0.000 1.048 163 I CB 2.207 40.107 38.000 -0.167 0.000 1.345 163 I HN 0.484 nan 8.210 nan 0.000 0.425 164 K N 5.905 126.387 120.400 0.137 0.000 2.527 164 K HA 0.768 5.088 4.320 -0.001 0.000 0.260 164 K C -2.011 174.701 176.600 0.186 0.000 0.937 164 K CA -0.594 55.794 56.287 0.168 0.000 0.826 164 K CB 2.208 34.776 32.500 0.113 0.000 1.359 164 K HN 0.481 nan 8.250 nan 0.000 0.434 165 V N 2.462 122.480 119.914 0.174 0.000 2.638 165 V HA 0.640 4.759 4.120 -0.001 0.000 0.306 165 V C -0.739 175.372 176.094 0.030 0.000 1.052 165 V CA -0.641 61.753 62.300 0.157 0.000 0.885 165 V CB 1.601 33.581 31.823 0.262 0.000 0.999 165 V HN 0.733 nan 8.190 nan 0.000 0.424 166 I N 5.458 126.040 120.570 0.020 0.000 2.234 166 I HA 0.240 4.410 4.170 -0.001 0.000 0.287 166 I C 0.467 176.422 176.117 -0.270 0.000 1.131 166 I CA -0.423 60.837 61.300 -0.068 0.000 1.335 166 I CB -0.120 37.909 38.000 0.049 0.000 1.511 166 I HN 0.960 nan 8.210 nan 0.000 0.588 167 D N 1.904 122.045 120.400 -0.432 0.000 2.319 167 D HA -0.152 4.487 4.640 -0.001 0.000 0.235 167 D C 0.902 176.933 176.300 -0.448 0.000 1.304 167 D CA -0.013 53.563 54.000 -0.706 0.000 0.894 167 D CB 0.894 41.360 40.800 -0.557 0.000 1.183 167 D HN 0.221 nan 8.370 nan 0.000 0.472 168 D N -0.709 119.446 120.400 -0.408 0.000 2.149 168 D HA -0.191 4.449 4.640 -0.001 0.000 0.198 168 D C 1.515 177.684 176.300 -0.219 0.000 0.990 168 D CA 1.040 54.884 54.000 -0.260 0.000 0.839 168 D CB 0.082 40.773 40.800 -0.182 0.000 0.948 168 D HN 0.607 nan 8.370 nan 0.000 0.460 169 E N 0.891 120.972 120.200 -0.197 0.000 2.015 169 E HA -0.186 4.163 4.350 -0.001 0.000 0.191 169 E C 1.849 178.364 176.600 -0.143 0.000 0.991 169 E CA 0.691 57.003 56.400 -0.146 0.000 0.802 169 E CB -0.042 29.581 29.700 -0.128 0.000 0.759 169 E HN 0.211 nan 8.360 nan 0.000 0.447 170 E N -0.075 120.032 120.200 -0.154 0.000 2.339 170 E HA -0.174 4.175 4.350 -0.001 0.000 0.201 170 E C 1.802 178.318 176.600 -0.139 0.000 1.015 170 E CA 0.805 57.129 56.400 -0.127 0.000 0.841 170 E CB 0.224 29.850 29.700 -0.125 0.000 0.754 170 E HN 0.093 nan 8.360 nan 0.000 0.508 171 V N 0.481 120.265 119.914 -0.217 0.000 2.326 171 V HA -0.162 3.958 4.120 -0.001 0.000 0.238 171 V C 2.162 178.113 176.094 -0.239 0.000 1.038 171 V CA 1.454 63.551 62.300 -0.339 0.000 1.032 171 V CB -0.411 31.104 31.823 -0.513 0.000 0.675 171 V HN 0.171 nan 8.190 nan 0.000 0.467 172 K N 0.357 120.639 120.400 -0.197 0.000 2.077 172 K HA -0.297 4.023 4.320 -0.001 0.000 0.213 172 K C 2.297 178.851 176.600 -0.077 0.000 1.051 172 K CA 1.983 58.195 56.287 -0.125 0.000 0.929 172 K CB -0.465 31.977 32.500 -0.097 0.000 0.715 172 K HN 0.282 nan 8.250 nan 0.000 0.451 173 R N 1.619 122.076 120.500 -0.071 0.000 2.185 173 R HA -0.175 4.165 4.340 -0.001 0.000 0.247 173 R C 1.904 178.193 176.300 -0.019 0.000 1.159 173 R CA 1.403 57.478 56.100 -0.042 0.000 0.988 173 R CB -0.246 30.028 30.300 -0.044 0.000 0.871 173 R HN 0.241 nan 8.270 nan 0.000 0.458 174 L N -0.047 121.172 121.223 -0.006 0.000 2.354 174 L HA -0.019 4.320 4.340 -0.001 0.000 0.212 174 L C 2.302 179.205 176.870 0.055 0.000 1.091 174 L CA -0.162 54.707 54.840 0.048 0.000 0.828 174 L CB -0.264 41.878 42.059 0.137 0.000 0.973 174 L HN 0.044 nan 8.230 nan 0.000 0.461 175 I N 1.329 121.919 120.570 0.033 0.000 2.151 175 I HA -0.295 3.874 4.170 -0.001 0.000 0.243 175 I C 2.823 178.944 176.117 0.008 0.000 1.080 175 I CA 1.860 63.178 61.300 0.030 0.000 1.339 175 I CB -0.970 37.029 38.000 -0.002 0.000 1.039 175 I HN 0.431 nan 8.210 nan 0.000 0.409 176 R N 0.480 120.978 120.500 -0.004 0.000 2.052 176 R HA -0.029 4.311 4.340 -0.001 0.000 0.226 176 R C 1.883 178.180 176.300 -0.005 0.000 1.145 176 R CA 0.868 56.963 56.100 -0.008 0.000 0.952 176 R CB -0.631 29.661 30.300 -0.013 0.000 0.847 176 R HN 0.273 nan 8.270 nan 0.000 0.431 177 E N 1.447 121.646 120.200 -0.002 0.000 2.112 177 E HA -0.040 4.310 4.350 -0.001 0.000 0.190 177 E C 0.759 177.360 176.600 0.002 0.000 0.979 177 E CA 0.005 56.403 56.400 -0.002 0.000 0.814 177 E CB -0.280 29.419 29.700 -0.002 0.000 0.762 177 E HN 0.120 nan 8.360 nan 0.000 0.460 178 L N 3.022 124.253 121.223 0.013 0.000 2.640 178 L HA -0.093 4.247 4.340 -0.001 0.000 0.280 178 L C 0.824 177.690 176.870 -0.008 0.000 1.229 178 L CA 0.510 55.357 54.840 0.012 0.000 0.919 178 L CB 0.221 42.298 42.059 0.029 0.000 1.168 178 L HN -0.078 nan 8.230 nan 0.000 0.496 179 D N 3.358 123.750 120.400 -0.014 0.000 1.713 179 D HA -0.117 4.523 4.640 -0.001 0.000 0.264 179 D C 0.895 177.174 176.300 -0.035 0.000 1.070 179 D CA 0.969 54.955 54.000 -0.022 0.000 0.942 179 D CB 0.410 41.197 40.800 -0.021 0.000 1.352 179 D HN 0.585 nan 8.370 nan 0.000 0.457 180 I N -1.556 118.989 120.570 -0.041 0.000 4.708 180 I HA -0.014 4.156 4.170 -0.001 0.000 0.300 180 I C 1.633 177.718 176.117 -0.053 0.000 1.121 180 I CA 0.318 61.586 61.300 -0.054 0.000 1.398 180 I CB -1.027 36.944 38.000 -0.047 0.000 1.819 180 I HN 0.294 nan 8.210 nan 0.000 0.490 181 A N 0.609 123.406 122.820 -0.039 0.000 2.259 181 A HA -0.134 4.185 4.320 -0.001 0.000 0.212 181 A C 0.829 178.392 177.584 -0.036 0.000 1.178 181 A CA 1.791 53.809 52.037 -0.032 0.000 0.734 181 A CB -0.659 18.326 19.000 -0.025 0.000 0.774 181 A HN 0.485 nan 8.150 nan 0.000 0.481 182 D N -1.141 119.232 120.400 -0.045 0.000 2.395 182 D HA 0.243 4.882 4.640 -0.001 0.000 0.213 182 D C -0.159 176.093 176.300 -0.079 0.000 1.110 182 D CA 0.015 53.984 54.000 -0.051 0.000 0.835 182 D CB 0.401 41.174 40.800 -0.045 0.000 0.965 182 D HN 0.129 nan 8.370 nan 0.000 0.505 183 V N 1.993 121.854 119.914 -0.089 0.000 2.465 183 V HA 0.246 4.365 4.120 -0.001 0.000 0.279 183 V C -2.048 174.012 176.094 -0.057 0.000 1.045 183 V CA -1.943 60.282 62.300 -0.126 0.000 0.938 183 V CB 1.543 33.272 31.823 -0.157 0.000 0.986 183 V HN -0.122 nan 8.190 nan 0.000 0.467 184 P HA 0.070 nan 4.420 nan 0.000 0.259 184 P C 0.972 178.325 177.300 0.087 0.000 1.163 184 P CA 1.917 65.008 63.100 -0.015 0.000 0.760 184 P CB 0.313 31.982 31.700 -0.053 0.000 0.762 185 G N 3.268 112.086 108.800 0.030 0.000 2.225 185 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.254 185 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.254 185 G C 0.200 175.136 174.900 0.059 0.000 0.988 185 G CA -0.481 44.640 45.100 0.035 0.000 0.625 185 G HN 0.477 nan 8.290 nan 0.000 0.527 186 I N 2.945 123.550 120.570 0.058 0.000 2.308 186 I HA 0.517 4.687 4.170 -0.001 0.000 0.293 186 I C 1.383 177.501 176.117 0.003 0.000 1.078 186 I CA -0.369 60.947 61.300 0.026 0.000 1.292 186 I CB 0.191 38.190 38.000 -0.002 0.000 1.423 186 I HN 0.203 nan 8.210 nan 0.000 0.493 187 G N 4.978 113.778 108.800 0.000 0.000 2.531 187 G HA2 0.173 4.133 3.960 -0.001 0.000 0.281 187 G HA3 0.173 4.133 3.960 -0.001 0.000 0.281 187 G C 0.903 175.796 174.900 -0.012 0.000 1.382 187 G CA -0.355 44.739 45.100 -0.009 0.000 1.045 187 G HN 0.526 nan 8.290 nan 0.000 0.533 188 N N -0.450 118.242 118.700 -0.014 0.000 2.094 188 N HA -0.153 4.587 4.740 -0.001 0.000 0.191 188 N C 2.094 177.597 175.510 -0.011 0.000 1.023 188 N CA 1.040 54.081 53.050 -0.014 0.000 0.857 188 N CB -0.134 38.344 38.487 -0.015 0.000 1.013 188 N HN 0.335 nan 8.380 nan 0.000 0.426 189 I N 0.774 121.338 120.570 -0.010 0.000 2.162 189 I HA -0.159 4.010 4.170 -0.001 0.000 0.238 189 I C 1.790 177.903 176.117 -0.007 0.000 1.076 189 I CA 1.364 62.659 61.300 -0.008 0.000 1.353 189 I CB -1.636 36.359 38.000 -0.007 0.000 1.063 189 I HN 0.178 nan 8.210 nan 0.000 0.408 190 T N 1.413 115.964 114.554 -0.005 0.000 2.849 190 T HA -0.118 4.232 4.350 -0.001 0.000 0.270 190 T C 2.020 176.713 174.700 -0.011 0.000 1.066 190 T CA 1.220 63.317 62.100 -0.005 0.000 1.130 190 T CB -0.438 68.431 68.868 0.001 0.000 0.864 190 T HN 0.423 nan 8.240 nan 0.000 0.481 191 A N 2.341 125.154 122.820 -0.012 0.000 1.835 191 A HA -0.140 4.180 4.320 -0.001 0.000 0.215 191 A C 2.413 179.989 177.584 -0.014 0.000 1.199 191 A CA 1.276 53.304 52.037 -0.016 0.000 0.615 191 A CB -0.495 18.495 19.000 -0.017 0.000 0.838 191 A HN 0.363 nan 8.150 nan 0.000 0.444 192 E N 0.623 120.816 120.200 -0.012 0.000 2.049 192 E HA -0.209 4.141 4.350 -0.001 0.000 0.198 192 E C 1.659 178.254 176.600 -0.008 0.000 1.007 192 E CA 1.488 57.882 56.400 -0.010 0.000 0.809 192 E CB -0.523 29.172 29.700 -0.008 0.000 0.749 192 E HN 0.661 nan 8.360 nan 0.000 0.450 193 K N 0.803 121.199 120.400 -0.007 0.000 2.589 193 K HA -0.054 4.266 4.320 -0.001 0.000 0.195 193 K C 0.883 177.479 176.600 -0.005 0.000 1.040 193 K CA 0.452 56.737 56.287 -0.004 0.000 0.950 193 K CB -0.238 32.261 32.500 -0.002 0.000 0.781 193 K HN 0.170 nan 8.250 nan 0.000 0.486 194 L N 1.139 122.356 121.223 -0.010 0.000 3.047 194 L HA 0.222 4.562 4.340 -0.001 0.000 0.242 194 L C 0.523 177.386 176.870 -0.011 0.000 1.315 194 L CA -0.361 54.471 54.840 -0.012 0.000 1.042 194 L CB 0.021 42.068 42.059 -0.020 0.000 1.420 194 L HN 0.013 nan 8.230 nan 0.000 0.517 195 K N -0.847 119.548 120.400 -0.007 0.000 2.826 195 K HA 0.170 4.490 4.320 -0.001 0.000 0.195 195 K C 1.401 177.998 176.600 -0.004 0.000 1.516 195 K CA -0.218 56.066 56.287 -0.007 0.000 1.213 195 K CB 0.042 32.538 32.500 -0.007 0.000 1.762 195 K HN -0.069 nan 8.250 nan 0.000 0.583 196 K N 1.829 122.227 120.400 -0.003 0.000 2.207 196 K HA -0.100 4.219 4.320 -0.001 0.000 0.208 196 K C 1.844 178.445 176.600 0.002 0.000 1.046 196 K CA 1.332 57.619 56.287 0.000 0.000 0.929 196 K CB -0.247 32.254 32.500 0.001 0.000 0.720 196 K HN 0.246 nan 8.250 nan 0.000 0.463 197 L N -0.976 120.248 121.223 0.000 0.000 2.766 197 L HA 0.217 4.557 4.340 -0.001 0.000 0.242 197 L C 0.889 177.758 176.870 -0.003 0.000 1.136 197 L CA 0.078 54.919 54.840 0.001 0.000 0.933 197 L CB 0.232 42.292 42.059 0.002 0.000 1.241 197 L HN 0.223 nan 8.230 nan 0.000 0.522 198 G N 1.955 110.752 108.800 -0.005 0.000 2.422 198 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.301 198 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.301 198 G C 0.166 175.061 174.900 -0.010 0.000 0.981 198 G CA 0.260 45.356 45.100 -0.007 0.000 0.994 198 G HN 0.351 nan 8.290 nan 0.000 0.514 199 I N -0.041 120.522 120.570 -0.013 0.000 2.312 199 I HA 0.207 4.376 4.170 -0.001 0.000 0.291 199 I C 0.990 177.095 176.117 -0.021 0.000 1.031 199 I CA -0.439 60.851 61.300 -0.017 0.000 1.293 199 I CB 1.108 39.095 38.000 -0.021 0.000 1.403 199 I HN 0.081 nan 8.210 nan 0.000 0.484 200 N N 5.013 123.702 118.700 -0.020 0.000 2.197 200 N HA 0.165 4.904 4.740 -0.001 0.000 0.201 200 N C -0.801 174.696 175.510 -0.023 0.000 1.148 200 N CA 0.318 53.356 53.050 -0.020 0.000 0.883 200 N CB 0.533 39.011 38.487 -0.015 0.000 1.012 200 N HN 0.354 nan 8.380 nan 0.000 0.507 201 K N -0.128 120.258 120.400 -0.025 0.000 2.551 201 K HA 0.220 4.540 4.320 -0.001 0.000 0.269 201 K C -0.566 176.015 176.600 -0.031 0.000 0.949 201 K CA -0.546 55.726 56.287 -0.025 0.000 0.849 201 K CB 1.300 33.790 32.500 -0.017 0.000 1.411 201 K HN -0.134 nan 8.250 nan 0.000 0.432 202 L N 2.313 123.517 121.223 -0.032 0.000 2.798 202 L HA -0.037 4.303 4.340 -0.001 0.000 0.254 202 L C 1.161 178.013 176.870 -0.031 0.000 1.176 202 L CA 0.357 55.170 54.840 -0.044 0.000 0.991 202 L CB -0.036 41.996 42.059 -0.044 0.000 1.225 202 L HN 0.444 nan 8.230 nan 0.000 0.420 203 V N -2.293 117.606 119.914 -0.024 0.000 3.058 203 V HA -0.019 4.100 4.120 -0.001 0.000 0.233 203 V C 1.663 177.746 176.094 -0.019 0.000 1.255 203 V CA 0.577 62.866 62.300 -0.019 0.000 1.267 203 V CB 0.308 32.123 31.823 -0.013 0.000 1.049 203 V HN 0.309 nan 8.190 nan 0.000 0.486 204 D N 1.644 122.033 120.400 -0.019 0.000 2.664 204 D HA -0.257 4.382 4.640 -0.001 0.000 0.195 204 D C 2.040 178.329 176.300 -0.019 0.000 1.063 204 D CA 2.415 56.405 54.000 -0.017 0.000 0.935 204 D CB -0.461 40.327 40.800 -0.019 0.000 0.877 204 D HN 0.762 nan 8.370 nan 0.000 0.464 205 T N -2.277 112.259 114.554 -0.029 0.000 3.098 205 T HA -0.016 4.333 4.350 -0.001 0.000 0.266 205 T C 2.126 176.814 174.700 -0.020 0.000 1.145 205 T CA 0.395 62.474 62.100 -0.035 0.000 1.092 205 T CB -0.161 68.670 68.868 -0.061 0.000 0.908 205 T HN 0.185 nan 8.240 nan 0.000 0.526 206 L N 0.230 121.447 121.223 -0.011 0.000 2.185 206 L HA 0.215 4.555 4.340 -0.001 0.000 0.198 206 L C 1.729 178.605 176.870 0.009 0.000 1.079 206 L CA 0.335 55.176 54.840 0.001 0.000 0.780 206 L CB -0.271 41.787 42.059 -0.000 0.000 0.955 206 L HN 0.064 nan 8.230 nan 0.000 0.462 207 S N 1.524 117.227 115.700 0.005 0.000 4.120 207 S HA 0.320 4.789 4.470 -0.001 0.000 0.215 207 S C -0.143 174.463 174.600 0.010 0.000 1.347 207 S CA 0.216 58.421 58.200 0.008 0.000 0.889 207 S CB -0.664 62.538 63.200 0.004 0.000 1.585 207 S HN 0.096 nan 8.310 nan 0.000 0.447 208 I N 1.186 121.767 120.570 0.019 0.000 3.203 208 I HA 0.306 4.475 4.170 -0.001 0.000 0.324 208 I C -1.372 174.771 176.117 0.043 0.000 1.415 208 I CA -1.007 60.308 61.300 0.025 0.000 0.913 208 I CB 1.644 39.656 38.000 0.020 0.000 1.241 208 I HN 0.414 nan 8.210 nan 0.000 0.480 209 E N 0.810 121.045 120.200 0.059 0.000 2.272 209 E HA 0.260 4.609 4.350 -0.001 0.000 0.269 209 E C -0.930 175.772 176.600 0.170 0.000 0.877 209 E CA -0.511 55.945 56.400 0.093 0.000 0.755 209 E CB 2.179 31.915 29.700 0.059 0.000 1.192 209 E HN 0.329 nan 8.360 nan 0.000 0.422 210 F N 2.973 122.922 119.950 -0.001 0.000 2.743 210 F HA 0.127 4.654 4.527 -0.001 0.000 0.298 210 F C -0.125 175.676 175.800 0.001 0.000 1.287 210 F CA -0.096 57.904 58.000 0.001 0.000 1.436 210 F CB -0.553 38.449 39.000 0.002 0.000 1.099 210 F HN 0.514 nan 8.300 nan 0.000 0.516 211 D N -0.331 120.151 120.400 0.136 0.000 2.525 211 D HA -0.002 4.637 4.640 -0.001 0.000 0.248 211 D C 1.945 178.305 176.300 0.100 0.000 1.000 211 D CA 0.432 54.448 54.000 0.026 0.000 0.923 211 D CB 0.478 41.262 40.800 -0.026 0.000 1.101 211 D HN 0.261 nan 8.370 nan 0.000 0.493 212 K N 0.750 121.210 120.400 0.099 0.000 1.985 212 K HA -0.072 4.248 4.320 -0.001 0.000 0.210 212 K C 2.189 178.847 176.600 0.096 0.000 1.047 212 K CA 0.725 57.059 56.287 0.078 0.000 0.932 212 K CB -0.171 32.363 32.500 0.056 0.000 0.716 212 K HN -0.022 nan 8.250 nan 0.000 0.439 213 L N 1.420 122.716 121.223 0.123 0.000 1.950 213 L HA -0.371 3.968 4.340 -0.001 0.000 0.233 213 L C 2.443 179.376 176.870 0.104 0.000 1.090 213 L CA 1.931 56.821 54.840 0.083 0.000 0.809 213 L CB -0.667 41.432 42.059 0.067 0.000 0.905 213 L HN 0.226 nan 8.230 nan 0.000 0.439 214 K N -0.354 120.182 120.400 0.227 0.000 2.007 214 K HA -0.304 4.016 4.320 -0.001 0.000 0.231 214 K C 1.835 178.520 176.600 0.142 0.000 1.044 214 K CA 2.408 58.856 56.287 0.269 0.000 0.996 214 K CB -1.004 31.862 32.500 0.609 0.000 0.738 214 K HN 0.464 nan 8.250 nan 0.000 0.447 215 G N 0.499 109.370 108.800 0.119 0.000 2.499 215 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.221 215 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.221 215 G C 1.395 176.324 174.900 0.049 0.000 1.109 215 G CA 1.216 46.356 45.100 0.066 0.000 0.749 215 G HN 0.567 nan 8.290 nan 0.000 0.568 216 M N -0.137 119.492 119.600 0.050 0.000 2.516 216 M HA 0.336 4.816 4.480 -0.001 0.000 0.259 216 M C 1.891 178.206 176.300 0.024 0.000 1.146 216 M CA 0.994 56.313 55.300 0.030 0.000 1.122 216 M CB 0.261 32.876 32.600 0.024 0.000 1.341 216 M HN 0.337 nan 8.290 nan 0.000 0.478 217 I N -4.229 116.359 120.570 0.029 0.000 4.983 217 I HA 0.582 4.751 4.170 -0.001 0.000 0.346 217 I C 0.399 176.529 176.117 0.022 0.000 1.261 217 I CA 0.008 61.318 61.300 0.017 0.000 1.406 217 I CB 0.956 38.957 38.000 0.002 0.000 1.529 217 I HN 0.166 nan 8.210 nan 0.000 0.524 218 G N 2.955 111.779 108.800 0.040 0.000 2.742 218 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.686 218 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.686 218 G C 0.052 174.978 174.900 0.044 0.000 1.220 218 G CA -0.101 45.030 45.100 0.052 0.000 0.783 218 G HN 0.565 nan 8.290 nan 0.000 0.646 219 E N 0.637 120.898 120.200 0.100 0.000 2.510 219 E HA 0.125 4.475 4.350 -0.001 0.000 0.202 219 E C 2.054 178.669 176.600 0.026 0.000 1.072 219 E CA 1.520 57.985 56.400 0.109 0.000 0.883 219 E CB 0.091 29.933 29.700 0.235 0.000 0.818 219 E HN 0.990 nan 8.360 nan 0.000 0.548 220 A N 2.299 125.132 122.820 0.022 0.000 1.844 220 A HA -0.029 4.290 4.320 -0.001 0.000 0.212 220 A C 2.121 179.722 177.584 0.030 0.000 1.221 220 A CA 0.783 52.830 52.037 0.016 0.000 0.607 220 A CB -0.041 18.967 19.000 0.013 0.000 0.878 220 A HN -0.004 nan 8.150 nan 0.000 0.451 221 K N -0.111 120.308 120.400 0.032 0.000 2.305 221 K HA 0.148 4.467 4.320 -0.001 0.000 0.199 221 K C 2.144 178.742 176.600 -0.002 0.000 1.047 221 K CA 0.772 57.107 56.287 0.080 0.000 0.976 221 K CB -0.164 32.368 32.500 0.054 0.000 0.765 221 K HN 0.425 nan 8.250 nan 0.000 0.474 222 A N 2.289 125.041 122.820 -0.112 0.000 1.824 222 A HA -0.201 4.119 4.320 -0.001 0.000 0.215 222 A C 1.941 179.346 177.584 -0.298 0.000 1.209 222 A CA 1.563 53.420 52.037 -0.301 0.000 0.614 222 A CB -0.550 18.073 19.000 -0.629 0.000 0.852 222 A HN 0.161 nan 8.150 nan 0.000 0.447 223 K N -1.623 118.589 120.400 -0.313 0.000 2.163 223 K HA -0.282 4.038 4.320 -0.001 0.000 0.210 223 K C 1.937 178.522 176.600 -0.025 0.000 1.048 223 K CA 2.265 58.457 56.287 -0.158 0.000 0.928 223 K CB -0.502 31.961 32.500 -0.062 0.000 0.716 223 K HN 0.676 nan 8.250 nan 0.000 0.459 224 Y N 1.155 121.403 120.300 -0.087 0.000 2.184 224 Y HA -0.105 4.444 4.550 -0.000 0.000 0.290 224 Y C 1.589 177.497 175.900 0.013 0.000 1.129 224 Y CA 1.333 59.423 58.100 -0.016 0.000 1.144 224 Y CB -0.247 38.213 38.460 -0.001 0.000 0.995 224 Y HN -0.088 nan 8.280 nan 0.000 0.513 225 L N -0.739 120.310 121.223 -0.290 0.000 2.270 225 L HA -0.017 4.323 4.340 -0.001 0.000 0.210 225 L C 2.463 179.217 176.870 -0.193 0.000 1.104 225 L CA 0.554 55.158 54.840 -0.392 0.000 0.804 225 L CB -0.508 41.354 42.059 -0.328 0.000 0.937 225 L HN 0.163 nan 8.230 nan 0.000 0.450 226 I N 0.434 120.916 120.570 -0.147 0.000 2.069 226 I HA -0.388 3.782 4.170 -0.001 0.000 0.237 226 I C 2.835 178.925 176.117 -0.046 0.000 1.053 226 I CA 1.993 63.234 61.300 -0.098 0.000 1.311 226 I CB -0.125 37.801 38.000 -0.122 0.000 1.030 226 I HN 0.407 nan 8.210 nan 0.000 0.398 227 S N 1.243 116.935 115.700 -0.013 0.000 2.378 227 S HA -0.285 4.184 4.470 -0.001 0.000 0.229 227 S C 1.936 176.591 174.600 0.092 0.000 1.052 227 S CA 1.781 60.012 58.200 0.052 0.000 1.084 227 S CB -1.336 61.918 63.200 0.090 0.000 0.950 227 S HN 0.432 nan 8.310 nan 0.000 0.440 228 L N 1.885 123.155 121.223 0.079 0.000 2.012 228 L HA -0.117 4.223 4.340 -0.001 0.000 0.210 228 L C 3.206 180.105 176.870 0.047 0.000 1.073 228 L CA 1.333 56.219 54.840 0.077 0.000 0.748 228 L CB -1.053 40.954 42.059 -0.086 0.000 0.891 228 L HN 0.477 nan 8.230 nan 0.000 0.431 229 A N 0.659 123.471 122.820 -0.014 0.000 1.908 229 A HA -0.203 4.117 4.320 -0.001 0.000 0.218 229 A C 2.322 179.908 177.584 0.003 0.000 1.181 229 A CA 1.722 53.751 52.037 -0.014 0.000 0.627 229 A CB -0.492 18.484 19.000 -0.039 0.000 0.818 229 A HN 0.456 nan 8.150 nan 0.000 0.445 230 R N -0.908 119.598 120.500 0.011 0.000 2.299 230 R HA 0.048 4.387 4.340 -0.001 0.000 0.197 230 R C 0.260 176.577 176.300 0.029 0.000 0.971 230 R CA 0.568 56.677 56.100 0.016 0.000 1.030 230 R CB -0.119 30.192 30.300 0.019 0.000 0.932 230 R HN 0.498 nan 8.270 nan 0.000 0.477 231 D N 1.873 122.305 120.400 0.053 0.000 2.800 231 D HA -0.190 4.450 4.640 -0.001 0.000 0.232 231 D C 0.026 176.374 176.300 0.080 0.000 1.137 231 D CA 1.188 55.226 54.000 0.062 0.000 0.718 231 D CB -0.891 39.908 40.800 -0.001 0.000 1.084 231 D HN 0.680 nan 8.370 nan 0.000 0.432 232 E N -0.425 119.835 120.200 0.100 0.000 2.685 232 E HA 0.008 4.358 4.350 -0.001 0.000 0.208 232 E C 1.124 177.800 176.600 0.126 0.000 0.996 232 E CA -0.655 55.798 56.400 0.089 0.000 1.054 232 E CB -0.281 29.450 29.700 0.051 0.000 1.075 232 E HN 0.532 nan 8.360 nan 0.000 0.460 233 Y N 1.872 122.208 120.300 0.060 0.000 2.224 233 Y HA -0.150 4.399 4.550 -0.001 0.000 0.289 233 Y C 0.949 176.890 175.900 0.068 0.000 1.146 233 Y CA 1.290 59.438 58.100 0.080 0.000 1.182 233 Y CB -0.055 38.479 38.460 0.124 0.000 0.983 233 Y HN 0.168 nan 8.280 nan 0.000 0.524 234 N N 2.626 121.505 118.700 0.299 0.000 1.403 234 N HA -0.281 4.459 4.740 -0.001 0.000 0.406 234 N C -0.937 174.547 175.510 -0.042 0.000 1.163 234 N CA 1.657 54.816 53.050 0.181 0.000 0.746 234 N CB -0.145 38.401 38.487 0.099 0.000 0.945 234 N HN 0.744 nan 8.380 nan 0.000 0.558 235 E N 2.962 123.189 120.200 0.045 0.000 2.647 235 E HA 0.221 4.571 4.350 -0.001 0.000 0.320 235 E C -2.792 173.814 176.600 0.011 0.000 0.951 235 E CA -1.228 55.126 56.400 -0.077 0.000 0.809 235 E CB 1.097 30.621 29.700 -0.293 0.000 1.295 235 E HN 0.445 nan 8.360 nan 0.000 0.407 236 P HA 0.076 nan 4.420 nan 0.000 0.266 236 P C -0.291 176.997 177.300 -0.019 0.000 1.195 236 P CA 0.133 63.231 63.100 -0.004 0.000 0.768 236 P CB 0.659 32.355 31.700 -0.007 0.000 0.838 237 I N 3.915 124.486 120.570 0.003 0.000 2.269 237 I HA 0.172 4.342 4.170 -0.001 0.000 0.293 237 I C 1.258 177.394 176.117 0.032 0.000 1.106 237 I CA -0.174 61.133 61.300 0.013 0.000 1.248 237 I CB -0.055 37.983 38.000 0.063 0.000 1.444 237 I HN 0.266 nan 8.210 nan 0.000 0.497 238 R N 2.263 122.775 120.500 0.021 0.000 2.919 238 R HA 0.526 4.866 4.340 -0.001 0.000 0.260 238 R C 0.855 177.182 176.300 0.046 0.000 1.067 238 R CA -0.684 55.434 56.100 0.031 0.000 1.003 238 R CB 0.487 30.798 30.300 0.018 0.000 1.192 238 R HN 0.426 nan 8.270 nan 0.000 0.488 239 T N -2.085 112.498 114.554 0.047 0.000 2.995 239 T HA -0.024 4.326 4.350 -0.001 0.000 0.269 239 T C 0.652 175.389 174.700 0.062 0.000 1.091 239 T CA 0.081 62.215 62.100 0.058 0.000 1.128 239 T CB -0.167 68.731 68.868 0.049 0.000 0.891 239 T HN 0.674 nan 8.240 nan 0.000 0.492 240 R N -0.184 120.347 120.500 0.052 0.000 1.328 240 R HA -0.087 4.253 4.340 -0.001 0.000 0.395 240 R C -1.460 174.875 176.300 0.058 0.000 1.339 240 R CA 0.336 56.466 56.100 0.051 0.000 1.351 240 R CB -0.685 29.648 30.300 0.056 0.000 3.744 240 R HN 0.341 nan 8.270 nan 0.000 0.472 241 V N 5.034 124.985 119.914 0.062 0.000 2.962 241 V HA 0.429 4.548 4.120 -0.001 0.000 0.313 241 V C 0.456 176.605 176.094 0.092 0.000 1.099 241 V CA -0.884 61.460 62.300 0.074 0.000 0.971 241 V CB 1.964 33.831 31.823 0.073 0.000 1.028 241 V HN 0.656 nan 8.190 nan 0.000 0.430 242 R N 2.927 123.488 120.500 0.101 0.000 2.480 242 R HA 0.069 4.409 4.340 -0.001 0.000 0.303 242 R C 0.396 176.831 176.300 0.224 0.000 0.985 242 R CA 0.253 56.435 56.100 0.136 0.000 1.051 242 R CB 0.263 30.646 30.300 0.138 0.000 0.935 242 R HN 0.701 nan 8.270 nan 0.000 0.410 243 K N 1.335 121.861 120.400 0.211 0.000 3.010 243 K HA 0.215 4.534 4.320 -0.001 0.000 0.211 243 K C -0.635 175.984 176.600 0.031 0.000 1.146 243 K CA -0.432 56.009 56.287 0.257 0.000 1.070 243 K CB 0.973 33.530 32.500 0.095 0.000 0.908 243 K HN 0.286 nan 8.250 nan 0.000 0.463 244 S N 0.905 116.749 115.700 0.241 0.000 2.558 244 S HA 0.493 4.963 4.470 -0.001 0.000 0.277 244 S C -2.043 172.741 174.600 0.307 0.000 1.143 244 S CA -0.758 57.477 58.200 0.059 0.000 0.865 244 S CB 1.261 64.422 63.200 -0.064 0.000 1.102 244 S HN 0.287 nan 8.310 nan 0.000 0.454 245 I N 3.400 124.166 120.570 0.326 0.000 2.531 245 I HA 0.507 4.676 4.170 -0.001 0.000 0.283 245 I C 0.555 176.802 176.117 0.216 0.000 1.083 245 I CA -0.001 61.492 61.300 0.322 0.000 1.071 245 I CB 0.915 39.171 38.000 0.427 0.000 1.210 245 I HN 0.803 nan 8.210 nan 0.000 0.450 246 G N 4.623 113.497 108.800 0.122 0.000 2.667 246 G HA2 0.707 4.667 3.960 -0.001 0.000 0.310 246 G HA3 0.707 4.667 3.960 -0.001 0.000 0.310 246 G C -0.378 174.570 174.900 0.079 0.000 1.259 246 G CA -0.361 44.773 45.100 0.056 0.000 1.019 246 G HN 0.417 nan 8.290 nan 0.000 0.496 247 R N -0.530 119.999 120.500 0.048 0.000 2.418 247 R HA 0.132 4.472 4.340 -0.001 0.000 0.218 247 R C -0.872 175.445 176.300 0.028 0.000 1.151 247 R CA -0.662 55.472 56.100 0.057 0.000 1.221 247 R CB -1.361 29.000 30.300 0.103 0.000 1.366 247 R HN 0.346 nan 8.270 nan 0.000 0.767 248 I N 1.170 121.741 120.570 0.001 0.000 2.826 248 I HA 0.040 4.210 4.170 -0.001 0.000 0.295 248 I C 0.667 176.774 176.117 -0.017 0.000 1.213 248 I CA 0.023 61.313 61.300 -0.017 0.000 1.436 248 I CB 0.463 38.445 38.000 -0.030 0.000 1.348 248 I HN 0.148 nan 8.210 nan 0.000 0.570 249 V N 4.999 124.894 119.914 -0.033 0.000 2.540 249 V HA 0.598 4.717 4.120 -0.001 0.000 0.302 249 V C 0.112 176.124 176.094 -0.137 0.000 1.035 249 V CA -0.479 61.789 62.300 -0.053 0.000 0.873 249 V CB 1.693 33.510 31.823 -0.010 0.000 0.992 249 V HN 0.825 nan 8.190 nan 0.000 0.428 250 T N 7.994 122.461 114.554 -0.145 0.000 2.928 250 T HA 0.259 4.608 4.350 -0.001 0.000 0.305 250 T C 1.046 175.514 174.700 -0.386 0.000 1.035 250 T CA -0.039 61.933 62.100 -0.213 0.000 1.145 250 T CB 0.674 69.446 68.868 -0.160 0.000 0.963 250 T HN 0.751 nan 8.240 nan 0.000 0.545 251 M N 1.962 121.231 119.600 -0.551 0.000 2.597 251 M HA 0.228 4.708 4.480 -0.001 0.000 0.226 251 M C 1.228 177.278 176.300 -0.417 0.000 1.392 251 M CA 0.750 55.404 55.300 -1.078 0.000 1.234 251 M CB -0.348 31.668 32.600 -0.973 0.000 0.876 251 M HN 0.507 nan 8.290 nan 0.000 0.622 252 K N -0.812 119.491 120.400 -0.162 0.000 2.849 252 K HA 0.276 4.595 4.320 -0.001 0.000 0.277 252 K C -0.173 176.435 176.600 0.013 0.000 2.406 252 K CA -0.033 56.251 56.287 -0.006 0.000 1.295 252 K CB 0.209 32.781 32.500 0.121 0.000 2.726 252 K HN 0.140 nan 8.250 nan 0.000 0.388 253 R N 2.773 123.327 120.500 0.089 0.000 3.206 253 R HA 0.206 4.546 4.340 -0.001 0.000 0.209 253 R C -0.750 175.594 176.300 0.074 0.000 1.632 253 R CA -0.151 55.996 56.100 0.079 0.000 1.234 253 R CB -0.851 29.503 30.300 0.090 0.000 1.270 253 R HN 0.228 nan 8.270 nan 0.000 0.665 254 N N 1.575 120.282 118.700 0.012 0.000 2.418 254 N HA -0.052 4.688 4.740 -0.001 0.000 0.277 254 N C -0.212 175.304 175.510 0.010 0.000 1.317 254 N CA 0.693 53.730 53.050 -0.021 0.000 0.922 254 N CB 1.168 39.626 38.487 -0.049 0.000 1.194 254 N HN 0.377 nan 8.380 nan 0.000 0.485 255 S N 1.262 116.978 115.700 0.026 0.000 3.341 255 S HA 0.630 5.099 4.470 -0.001 0.000 0.326 255 S C -0.676 173.941 174.600 0.029 0.000 1.178 255 S CA -0.628 57.593 58.200 0.034 0.000 1.002 255 S CB 0.832 64.064 63.200 0.053 0.000 1.385 255 S HN 0.703 nan 8.310 nan 0.000 0.710 256 R N 0.594 121.112 120.500 0.029 0.000 2.490 256 R HA 0.420 4.760 4.340 -0.001 0.000 0.410 256 R C -0.283 176.028 176.300 0.019 0.000 0.876 256 R CA -0.315 55.798 56.100 0.021 0.000 1.061 256 R CB -1.477 28.830 30.300 0.011 0.000 1.553 256 R HN 0.290 nan 8.270 nan 0.000 0.593 257 N N 2.260 120.973 118.700 0.023 0.000 2.567 257 N HA -0.039 4.701 4.740 -0.001 0.000 0.195 257 N C 0.778 176.294 175.510 0.010 0.000 1.242 257 N CA 0.550 53.610 53.050 0.016 0.000 0.884 257 N CB 0.183 38.680 38.487 0.016 0.000 1.007 257 N HN 0.369 nan 8.380 nan 0.000 0.450 258 L N 0.025 121.252 121.223 0.007 0.000 5.009 258 L HA -0.404 3.936 4.340 -0.001 0.000 0.408 258 L C 1.594 178.455 176.870 -0.015 0.000 1.957 258 L CA 2.050 56.888 54.840 -0.003 0.000 1.825 258 L CB -1.052 41.010 42.059 0.005 0.000 1.695 258 L HN 0.240 nan 8.230 nan 0.000 0.623 259 E N 0.129 120.327 120.200 -0.004 0.000 2.016 259 E HA -0.154 4.195 4.350 -0.001 0.000 0.190 259 E C 1.749 178.326 176.600 -0.037 0.000 0.985 259 E CA 1.230 57.625 56.400 -0.009 0.000 0.802 259 E CB -0.251 29.453 29.700 0.007 0.000 0.762 259 E HN 0.617 nan 8.360 nan 0.000 0.448 260 E N -0.068 120.118 120.200 -0.023 0.000 2.448 260 E HA -0.193 4.157 4.350 -0.001 0.000 0.203 260 E C 1.154 177.720 176.600 -0.057 0.000 1.046 260 E CA 0.442 56.821 56.400 -0.035 0.000 0.871 260 E CB 0.079 29.785 29.700 0.010 0.000 0.790 260 E HN 0.100 nan 8.360 nan 0.000 0.545 261 I N -0.275 120.270 120.570 -0.041 0.000 4.032 261 I HA -0.076 4.094 4.170 -0.001 0.000 0.313 261 I C 1.882 177.932 176.117 -0.111 0.000 1.272 261 I CA 0.224 61.541 61.300 0.027 0.000 1.307 261 I CB 0.150 38.163 38.000 0.022 0.000 1.155 261 I HN -0.163 nan 8.210 nan 0.000 0.431 262 K N 1.017 121.283 120.400 -0.223 0.000 2.057 262 K HA -0.104 4.215 4.320 -0.001 0.000 0.207 262 K C -0.527 175.737 176.600 -0.560 0.000 1.049 262 K CA 1.536 57.524 56.287 -0.499 0.000 0.931 262 K CB -1.521 30.767 32.500 -0.353 0.000 0.714 262 K HN 0.256 nan 8.250 nan 0.000 0.440 263 P HA -0.184 nan 4.420 nan 0.000 0.212 263 P C 1.224 178.451 177.300 -0.121 0.000 1.178 263 P CA 1.372 64.378 63.100 -0.156 0.000 0.915 263 P CB -0.278 31.278 31.700 -0.239 0.000 0.788 264 Y N -0.923 119.322 120.300 -0.092 0.000 2.108 264 Y HA -0.233 4.316 4.550 -0.001 0.000 0.274 264 Y C 2.395 178.222 175.900 -0.122 0.000 1.229 264 Y CA 1.072 59.122 58.100 -0.084 0.000 1.129 264 Y CB -1.860 36.548 38.460 -0.085 0.000 0.946 264 Y HN -0.079 nan 8.280 nan 0.000 0.509 265 L N -1.311 119.843 121.223 -0.114 0.000 2.056 265 L HA -0.141 4.198 4.340 -0.001 0.000 0.207 265 L C 1.994 178.788 176.870 -0.128 0.000 1.078 265 L CA 1.643 56.358 54.840 -0.208 0.000 0.749 265 L CB -0.860 40.939 42.059 -0.433 0.000 0.901 265 L HN 0.052 nan 8.230 nan 0.000 0.433 266 F N 0.196 120.113 119.950 -0.055 0.000 2.259 266 F HA -0.012 4.515 4.527 -0.001 0.000 0.298 266 F C 2.637 178.432 175.800 -0.008 0.000 1.088 266 F CA 1.173 59.087 58.000 -0.144 0.000 1.358 266 F CB -1.052 37.860 39.000 -0.147 0.000 1.040 266 F HN 0.186 nan 8.300 nan 0.000 0.505 267 R N 0.901 121.521 120.500 0.200 0.000 2.193 267 R HA -0.061 4.279 4.340 -0.001 0.000 0.229 267 R C 1.774 178.180 176.300 0.177 0.000 1.110 267 R CA 1.301 57.510 56.100 0.182 0.000 0.988 267 R CB -0.335 30.058 30.300 0.156 0.000 0.871 267 R HN 0.213 nan 8.270 nan 0.000 0.458 268 A N 0.413 123.333 122.820 0.166 0.000 2.115 268 A HA 0.159 4.478 4.320 -0.001 0.000 0.211 268 A C 1.861 179.594 177.584 0.249 0.000 1.169 268 A CA 0.063 52.200 52.037 0.166 0.000 0.787 268 A CB 0.064 19.130 19.000 0.111 0.000 0.858 268 A HN 0.285 nan 8.150 nan 0.000 0.474 269 I N -0.509 120.236 120.570 0.290 0.000 2.277 269 I HA -0.120 4.050 4.170 -0.001 0.000 0.243 269 I C 2.264 178.646 176.117 0.440 0.000 1.094 269 I CA 1.090 62.668 61.300 0.463 0.000 1.393 269 I CB -0.377 37.863 38.000 0.400 0.000 1.078 269 I HN 0.147 nan 8.210 nan 0.000 0.417 270 E N 1.361 121.753 120.200 0.319 0.000 2.045 270 E HA -0.273 4.077 4.350 -0.001 0.000 0.212 270 E C 2.116 178.896 176.600 0.301 0.000 1.039 270 E CA 1.904 58.477 56.400 0.289 0.000 0.860 270 E CB -0.250 29.592 29.700 0.236 0.000 0.776 270 E HN 0.430 nan 8.360 nan 0.000 0.467 271 E N -0.162 120.186 120.200 0.247 0.000 2.160 271 E HA -0.156 4.194 4.350 -0.001 0.000 0.195 271 E C 2.232 178.970 176.600 0.230 0.000 0.991 271 E CA 1.161 57.683 56.400 0.204 0.000 0.810 271 E CB -0.143 29.639 29.700 0.136 0.000 0.742 271 E HN 0.103 nan 8.360 nan 0.000 0.466 272 S N 0.181 116.052 115.700 0.285 0.000 2.368 272 S HA -0.117 4.353 4.470 -0.001 0.000 0.224 272 S C 1.722 176.459 174.600 0.229 0.000 1.029 272 S CA 0.826 59.205 58.200 0.299 0.000 0.988 272 S CB -0.245 63.262 63.200 0.512 0.000 0.838 272 S HN 0.326 nan 8.310 nan 0.000 0.462 273 Y N -0.266 120.126 120.300 0.152 0.000 2.395 273 Y HA 0.010 4.559 4.550 -0.002 0.000 0.293 273 Y C 2.018 177.980 175.900 0.103 0.000 1.123 273 Y CA 0.860 58.979 58.100 0.032 0.000 1.227 273 Y CB -0.114 38.336 38.460 -0.017 0.000 1.012 273 Y HN 0.358 nan 8.280 nan 0.000 0.552 274 Y N 0.510 120.921 120.300 0.186 0.000 2.153 274 Y HA -0.267 4.281 4.550 -0.004 0.000 0.289 274 Y C 2.316 178.254 175.900 0.065 0.000 1.127 274 Y CA 1.199 59.359 58.100 0.101 0.000 1.131 274 Y CB -0.037 38.476 38.460 0.088 0.000 0.995 274 Y HN -0.092 nan 8.280 nan 0.000 0.505 275 K N 0.486 121.033 120.400 0.245 0.000 2.089 275 K HA -0.268 4.051 4.320 -0.001 0.000 0.210 275 K C 1.924 178.582 176.600 0.096 0.000 1.048 275 K CA 1.947 58.303 56.287 0.115 0.000 0.926 275 K CB -0.332 32.224 32.500 0.093 0.000 0.714 275 K HN 0.364 nan 8.250 nan 0.000 0.448 276 L N 0.769 122.034 121.223 0.070 0.000 1.961 276 L HA -0.182 4.158 4.340 -0.001 0.000 0.210 276 L C 0.484 177.325 176.870 -0.048 0.000 1.072 276 L CA 1.171 55.972 54.840 -0.066 0.000 0.749 276 L CB -0.474 41.458 42.059 -0.213 0.000 0.889 276 L HN 0.513 nan 8.230 nan 0.000 0.432 277 D N -0.164 120.259 120.400 0.039 0.000 4.867 277 D HA -0.278 4.362 4.640 -0.001 0.000 0.238 277 D C 0.451 176.729 176.300 -0.036 0.000 1.114 277 D CA 0.775 54.789 54.000 0.024 0.000 1.283 277 D CB 0.137 40.966 40.800 0.048 0.000 0.739 277 D HN 0.316 nan 8.370 nan 0.000 0.371 278 K N 1.146 121.533 120.400 -0.021 0.000 3.300 278 K HA -0.225 4.095 4.320 -0.001 0.000 0.378 278 K C 0.447 177.013 176.600 -0.057 0.000 0.579 278 K CA 1.914 58.180 56.287 -0.035 0.000 1.666 278 K CB -1.239 31.238 32.500 -0.038 0.000 1.092 278 K HN 0.736 nan 8.250 nan 0.000 0.451 279 R N 0.523 120.945 120.500 -0.131 0.000 2.340 279 R HA 0.314 4.654 4.340 -0.001 0.000 0.300 279 R C -0.331 175.891 176.300 -0.130 0.000 1.069 279 R CA -0.437 55.548 56.100 -0.191 0.000 0.984 279 R CB 0.363 30.370 30.300 -0.488 0.000 1.003 279 R HN -0.003 nan 8.270 nan 0.000 0.459 280 I N 6.833 127.404 120.570 0.002 0.000 2.304 280 I HA 0.216 4.386 4.170 -0.001 0.000 0.291 280 I C -1.845 174.407 176.117 0.225 0.000 1.018 280 I CA -2.326 59.024 61.300 0.083 0.000 1.260 280 I CB 1.209 39.264 38.000 0.090 0.000 1.390 280 I HN 0.449 nan 8.210 nan 0.000 0.475 281 P HA 0.316 nan 4.420 nan 0.000 0.281 281 P C -0.615 176.804 177.300 0.199 0.000 1.264 281 P CA -0.509 62.804 63.100 0.354 0.000 0.824 281 P CB 1.756 33.702 31.700 0.410 0.000 1.092 282 K N -0.145 120.360 120.400 0.174 0.000 2.436 282 K HA 0.377 4.697 4.320 -0.001 0.000 0.198 282 K C 0.815 177.527 176.600 0.186 0.000 1.174 282 K CA 0.029 56.401 56.287 0.143 0.000 0.951 282 K CB 0.670 33.239 32.500 0.115 0.000 1.040 282 K HN 0.456 nan 8.250 nan 0.000 0.536 283 A N 1.860 124.780 122.820 0.167 0.000 2.320 283 A HA 0.724 5.044 4.320 -0.001 0.000 0.334 283 A C -0.846 176.867 177.584 0.215 0.000 1.147 283 A CA -0.607 51.536 52.037 0.177 0.000 0.820 283 A CB 1.006 20.096 19.000 0.149 0.000 1.218 283 A HN 0.190 nan 8.150 nan 0.000 0.482 284 I N -0.053 120.592 120.570 0.125 0.000 2.994 284 I HA 0.562 4.732 4.170 -0.001 0.000 0.306 284 I C -1.678 174.350 176.117 -0.148 0.000 1.195 284 I CA -0.708 60.597 61.300 0.009 0.000 1.001 284 I CB 2.405 40.457 38.000 0.086 0.000 1.244 284 I HN 0.880 nan 8.210 nan 0.000 0.437 285 H N 3.542 122.491 119.070 -0.202 0.000 3.240 285 H HA 0.301 4.857 4.556 -0.001 0.000 0.329 285 H C -0.956 174.291 175.328 -0.135 0.000 1.024 285 H CA -0.308 55.663 56.048 -0.128 0.000 1.487 285 H CB 1.722 31.409 29.762 -0.126 0.000 1.909 285 H HN 0.112 nan 8.280 nan 0.000 0.465 286 V N 3.862 123.771 119.914 -0.008 0.000 2.740 286 V HA 0.248 4.368 4.120 -0.001 0.000 0.303 286 V C 0.247 176.341 176.094 -0.000 0.000 1.054 286 V CA 0.055 62.345 62.300 -0.017 0.000 1.106 286 V CB 0.992 32.804 31.823 -0.018 0.000 0.957 286 V HN 0.511 nan 8.190 nan 0.000 0.486 287 V N 3.011 122.913 119.914 -0.019 0.000 3.102 287 V HA 1.026 5.146 4.120 -0.001 0.000 0.312 287 V C -0.125 175.950 176.094 -0.031 0.000 1.135 287 V CA -0.146 62.142 62.300 -0.020 0.000 1.022 287 V CB 2.090 33.895 31.823 -0.031 0.000 1.056 287 V HN 1.184 nan 8.190 nan 0.000 0.436 288 A N 1.341 124.141 122.820 -0.032 0.000 2.569 288 A HA 0.706 5.026 4.320 -0.001 0.000 0.292 288 A C -1.854 175.708 177.584 -0.036 0.000 1.032 288 A CA -0.417 51.596 52.037 -0.039 0.000 0.669 288 A CB 1.499 20.479 19.000 -0.034 0.000 1.290 288 A HN 0.814 nan 8.150 nan 0.000 0.422 289 V N 2.950 122.839 119.914 -0.043 0.000 2.275 289 V HA 0.456 4.576 4.120 -0.001 0.000 0.272 289 V C 0.978 177.053 176.094 -0.033 0.000 1.028 289 V CA 0.226 62.503 62.300 -0.038 0.000 0.810 289 V CB 0.709 32.504 31.823 -0.047 0.000 1.043 289 V HN 1.261 nan 8.190 nan 0.000 0.453 290 T N 0.873 115.412 114.554 -0.024 0.000 2.724 290 T HA 0.053 4.403 4.350 -0.001 0.000 0.324 290 T C 1.337 176.025 174.700 -0.020 0.000 1.071 290 T CA 0.628 62.716 62.100 -0.020 0.000 1.061 290 T CB 0.688 69.548 68.868 -0.014 0.000 0.990 290 T HN 0.737 nan 8.240 nan 0.000 0.543 291 E N 1.658 121.849 120.200 -0.016 0.000 2.571 291 E HA -0.340 4.010 4.350 -0.001 0.000 0.249 291 E C 0.235 176.827 176.600 -0.014 0.000 1.061 291 E CA 2.793 59.185 56.400 -0.013 0.000 1.264 291 E CB -1.119 28.578 29.700 -0.006 0.000 1.145 291 E HN 1.006 nan 8.360 nan 0.000 0.484 292 D N -1.003 119.391 120.400 -0.011 0.000 2.449 292 D HA 0.350 4.989 4.640 -0.001 0.000 0.250 292 D C -0.148 176.143 176.300 -0.015 0.000 1.050 292 D CA -0.790 53.203 54.000 -0.010 0.000 1.024 292 D CB 0.311 41.108 40.800 -0.005 0.000 1.218 292 D HN 0.120 nan 8.370 nan 0.000 0.566 293 L N 0.716 121.930 121.223 -0.015 0.000 2.685 293 L HA 0.003 4.343 4.340 -0.001 0.000 0.305 293 L C -0.389 176.471 176.870 -0.017 0.000 1.258 293 L CA 1.666 56.495 54.840 -0.017 0.000 0.876 293 L CB -0.541 41.509 42.059 -0.014 0.000 1.124 293 L HN 0.705 nan 8.230 nan 0.000 0.507 294 D N 1.496 121.884 120.400 -0.020 0.000 2.527 294 D HA 0.061 4.701 4.640 -0.001 0.000 0.191 294 D C -0.541 175.746 176.300 -0.021 0.000 0.915 294 D CA -0.541 53.448 54.000 -0.018 0.000 0.963 294 D CB 0.958 41.749 40.800 -0.015 0.000 4.192 294 D HN 0.317 nan 8.370 nan 0.000 0.471 295 I N -0.257 120.301 120.570 -0.020 0.000 2.882 295 I HA 0.745 4.915 4.170 -0.001 0.000 0.286 295 I C -0.081 176.026 176.117 -0.017 0.000 1.139 295 I CA -0.251 61.036 61.300 -0.021 0.000 1.379 295 I CB 1.008 38.995 38.000 -0.021 0.000 1.410 295 I HN 0.246 nan 8.210 nan 0.000 0.594 296 V N 3.986 123.891 119.914 -0.015 0.000 2.859 296 V HA 0.455 4.575 4.120 -0.001 0.000 0.276 296 V C -0.971 175.121 176.094 -0.003 0.000 1.496 296 V CA 0.361 62.656 62.300 -0.008 0.000 0.929 296 V CB 1.561 33.378 31.823 -0.009 0.000 1.147 296 V HN 1.406 nan 8.190 nan 0.000 0.449 297 S N 6.815 122.521 115.700 0.009 0.000 2.619 297 S HA 0.837 5.306 4.470 -0.001 0.000 0.280 297 S C -0.978 173.644 174.600 0.037 0.000 1.150 297 S CA -0.937 57.282 58.200 0.031 0.000 0.978 297 S CB 1.987 65.222 63.200 0.058 0.000 1.041 297 S HN 0.881 nan 8.310 nan 0.000 0.485 298 R N 1.541 122.046 120.500 0.010 0.000 2.514 298 R HA 0.845 5.184 4.340 -0.001 0.000 0.301 298 R C 0.243 176.473 176.300 -0.116 0.000 0.962 298 R CA -0.553 55.529 56.100 -0.029 0.000 0.882 298 R CB 2.120 32.402 30.300 -0.029 0.000 1.143 298 R HN 0.885 nan 8.270 nan 0.000 0.452 299 G N 0.931 109.582 108.800 -0.248 0.000 2.695 299 G HA2 0.583 4.542 3.960 -0.001 0.000 0.290 299 G HA3 0.583 4.542 3.960 -0.001 0.000 0.290 299 G C -1.604 173.053 174.900 -0.404 0.000 1.410 299 G CA -0.648 44.093 45.100 -0.599 0.000 0.844 299 G HN 0.435 nan 8.290 nan 0.000 0.478 300 R N -0.892 119.418 120.500 -0.317 0.000 2.837 300 R HA 0.678 5.018 4.340 -0.001 0.000 0.271 300 R C -1.126 175.139 176.300 -0.059 0.000 0.993 300 R CA -0.585 55.417 56.100 -0.164 0.000 0.931 300 R CB 2.099 32.300 30.300 -0.165 0.000 1.206 300 R HN 0.424 nan 8.270 nan 0.000 0.474 301 T N 3.495 118.005 114.554 -0.073 0.000 3.390 301 T HA 0.305 4.655 4.350 -0.001 0.000 0.351 301 T C -0.709 173.972 174.700 -0.032 0.000 1.759 301 T CA -0.316 61.788 62.100 0.006 0.000 1.561 301 T CB -0.505 68.360 68.868 -0.005 0.000 1.011 301 T HN 0.295 nan 8.240 nan 0.000 0.689 302 F N 3.426 123.318 119.950 -0.097 0.000 2.637 302 F HA 0.061 4.588 4.527 0.000 0.000 0.372 302 F C -0.655 175.043 175.800 -0.169 0.000 1.107 302 F CA -1.313 56.568 58.000 -0.198 0.000 1.325 302 F CB 0.475 39.244 39.000 -0.386 0.000 1.016 302 F HN 0.306 nan 8.300 nan 0.000 0.593 303 P HA -0.119 nan 4.420 nan 0.000 0.225 303 P C -0.227 177.168 177.300 0.157 0.000 1.148 303 P CA 1.627 64.789 63.100 0.103 0.000 0.779 303 P CB -0.222 31.573 31.700 0.159 0.000 0.780 304 H N -1.695 117.493 119.070 0.198 0.000 3.641 304 H HA 0.691 5.246 4.556 -0.001 0.000 0.241 304 H C 0.650 176.056 175.328 0.130 0.000 1.629 304 H CA -0.942 55.191 56.048 0.141 0.000 1.609 304 H CB -0.381 29.453 29.762 0.120 0.000 1.016 304 H HN -0.127 nan 8.280 nan 0.000 0.866 305 G N -0.328 108.621 108.800 0.249 0.000 2.434 305 G HA2 0.517 4.477 3.960 -0.001 0.000 0.330 305 G HA3 0.517 4.477 3.960 -0.001 0.000 0.330 305 G C -0.826 174.118 174.900 0.073 0.000 1.155 305 G CA -0.933 44.248 45.100 0.135 0.000 0.917 305 G HN 0.524 nan 8.290 nan 0.000 0.493 306 I N 1.216 121.787 120.570 0.002 0.000 2.331 306 I HA 0.231 4.400 4.170 -0.001 0.000 0.292 306 I C 0.652 176.804 176.117 0.059 0.000 0.998 306 I CA -0.374 60.875 61.300 -0.084 0.000 1.267 306 I CB 1.752 39.728 38.000 -0.039 0.000 1.386 306 I HN 0.421 nan 8.210 nan 0.000 0.476 307 S N 5.498 121.201 115.700 0.006 0.000 2.562 307 S HA 0.178 4.648 4.470 -0.001 0.000 0.275 307 S C 1.196 175.745 174.600 -0.085 0.000 1.281 307 S CA -0.528 57.655 58.200 -0.027 0.000 1.045 307 S CB 1.172 64.334 63.200 -0.063 0.000 0.962 307 S HN 0.694 nan 8.310 nan 0.000 0.503 308 K N 2.033 122.198 120.400 -0.392 0.000 2.163 308 K HA -0.240 4.079 4.320 -0.001 0.000 0.210 308 K C 1.349 177.871 176.600 -0.130 0.000 1.048 308 K CA 2.416 58.362 56.287 -0.567 0.000 0.928 308 K CB -0.114 31.934 32.500 -0.754 0.000 0.716 308 K HN 0.707 nan 8.250 nan 0.000 0.459 309 E N -1.058 119.013 120.200 -0.214 0.000 2.051 309 E HA -0.068 4.282 4.350 -0.001 0.000 0.189 309 E C 1.994 178.574 176.600 -0.034 0.000 0.979 309 E CA 1.327 57.596 56.400 -0.218 0.000 0.803 309 E CB -0.321 29.228 29.700 -0.250 0.000 0.761 309 E HN 0.143 nan 8.360 nan 0.000 0.451 310 T N 0.889 115.431 114.554 -0.020 0.000 2.684 310 T HA -0.215 4.134 4.350 -0.001 0.000 0.267 310 T C 2.000 176.766 174.700 0.110 0.000 1.036 310 T CA 1.520 63.620 62.100 0.001 0.000 1.148 310 T CB -0.536 68.242 68.868 -0.151 0.000 0.863 310 T HN 0.305 nan 8.240 nan 0.000 0.436 311 A N 0.055 122.987 122.820 0.186 0.000 2.054 311 A HA -0.202 4.118 4.320 -0.001 0.000 0.223 311 A C 1.975 179.812 177.584 0.422 0.000 1.169 311 A CA 1.755 54.021 52.037 0.381 0.000 0.655 311 A CB -1.024 18.315 19.000 0.565 0.000 0.812 311 A HN 0.711 nan 8.150 nan 0.000 0.462 312 Y N 0.360 120.740 120.300 0.134 0.000 2.153 312 Y HA -0.181 4.368 4.550 -0.001 0.000 0.289 312 Y C 3.218 179.243 175.900 0.209 0.000 1.119 312 Y CA 1.243 59.444 58.100 0.168 0.000 1.116 312 Y CB -0.271 38.127 38.460 -0.103 0.000 1.004 312 Y HN 0.521 nan 8.280 nan 0.000 0.501 313 S N 0.384 116.270 115.700 0.310 0.000 2.365 313 S HA -0.284 4.185 4.470 -0.001 0.000 0.221 313 S C 1.802 176.549 174.600 0.244 0.000 1.037 313 S CA 1.811 60.158 58.200 0.244 0.000 1.060 313 S CB -0.664 62.641 63.200 0.176 0.000 0.974 313 S HN 0.342 nan 8.310 nan 0.000 0.427 314 E N 1.262 121.613 120.200 0.252 0.000 2.110 314 E HA -0.038 4.312 4.350 -0.001 0.000 0.193 314 E C 2.244 178.968 176.600 0.208 0.000 0.988 314 E CA 1.017 57.566 56.400 0.250 0.000 0.804 314 E CB -0.765 29.155 29.700 0.367 0.000 0.745 314 E HN 0.561 nan 8.360 nan 0.000 0.458 315 S N -1.000 114.839 115.700 0.233 0.000 2.423 315 S HA -0.183 4.286 4.470 -0.001 0.000 0.238 315 S C 1.798 176.474 174.600 0.127 0.000 1.028 315 S CA 1.308 59.616 58.200 0.180 0.000 1.000 315 S CB -0.160 63.169 63.200 0.215 0.000 0.797 315 S HN 0.143 nan 8.310 nan 0.000 0.487 316 V N 0.656 120.664 119.914 0.156 0.000 2.374 316 V HA -0.018 4.101 4.120 -0.001 0.000 0.241 316 V C 2.276 178.415 176.094 0.076 0.000 1.034 316 V CA 1.551 63.913 62.300 0.104 0.000 1.037 316 V CB -0.544 31.367 31.823 0.145 0.000 0.682 316 V HN 0.297 nan 8.190 nan 0.000 0.463 317 K N 0.840 121.295 120.400 0.092 0.000 2.001 317 K HA -0.223 4.096 4.320 -0.001 0.000 0.223 317 K C 1.905 178.531 176.600 0.043 0.000 1.055 317 K CA 2.025 58.352 56.287 0.066 0.000 0.965 317 K CB -1.221 31.325 32.500 0.077 0.000 0.730 317 K HN 0.317 nan 8.250 nan 0.000 0.449 318 L N 0.177 121.427 121.223 0.046 0.000 2.013 318 L HA -0.210 4.129 4.340 -0.001 0.000 0.212 318 L C 2.342 179.217 176.870 0.008 0.000 1.073 318 L CA 0.885 55.734 54.840 0.014 0.000 0.753 318 L CB -0.779 41.282 42.059 0.003 0.000 0.890 318 L HN 0.156 nan 8.230 nan 0.000 0.432 319 L N 0.074 121.306 121.223 0.015 0.000 1.997 319 L HA -0.287 4.052 4.340 -0.001 0.000 0.216 319 L C 2.665 179.538 176.870 0.004 0.000 1.074 319 L CA 1.914 56.755 54.840 0.002 0.000 0.763 319 L CB -0.919 41.135 42.059 -0.008 0.000 0.890 319 L HN 0.305 nan 8.230 nan 0.000 0.434 320 Q N -0.425 119.384 119.800 0.015 0.000 2.020 320 Q HA -0.283 4.057 4.340 -0.001 0.000 0.202 320 Q C 2.151 178.156 176.000 0.009 0.000 0.982 320 Q CA 1.748 57.559 55.803 0.014 0.000 0.838 320 Q CB -0.423 28.328 28.738 0.023 0.000 0.899 320 Q HN 0.533 nan 8.270 nan 0.000 0.423 321 K N 0.756 121.161 120.400 0.009 0.000 2.464 321 K HA -0.203 4.116 4.320 -0.001 0.000 0.200 321 K C 1.285 177.884 176.600 -0.002 0.000 1.044 321 K CA 1.115 57.404 56.287 0.002 0.000 0.932 321 K CB -0.078 32.422 32.500 -0.001 0.000 0.753 321 K HN 0.292 nan 8.250 nan 0.000 0.492 322 I N -0.513 120.056 120.570 -0.002 0.000 4.288 322 I HA -0.051 4.119 4.170 -0.001 0.000 0.331 322 I C 1.427 177.542 176.117 -0.003 0.000 1.322 322 I CA -0.184 61.114 61.300 -0.004 0.000 1.149 322 I CB 0.261 38.257 38.000 -0.006 0.000 1.112 322 I HN 0.024 nan 8.210 nan 0.000 0.403 323 L N 0.948 122.171 121.223 -0.001 0.000 2.552 323 L HA -0.043 4.296 4.340 -0.001 0.000 0.227 323 L C 2.076 178.947 176.870 0.001 0.000 1.146 323 L CA 0.877 55.717 54.840 0.000 0.000 0.858 323 L CB -0.176 41.884 42.059 0.002 0.000 0.969 323 L HN 0.251 nan 8.230 nan 0.000 0.451 324 E N 0.587 120.787 120.200 0.001 0.000 2.153 324 E HA -0.217 4.132 4.350 -0.001 0.000 0.194 324 E C 1.100 177.700 176.600 -0.001 0.000 0.988 324 E CA 1.142 57.542 56.400 0.001 0.000 0.811 324 E CB 0.308 30.008 29.700 0.000 0.000 0.746 324 E HN 0.303 nan 8.360 nan 0.000 0.466 325 E N -0.640 119.558 120.200 -0.002 0.000 2.641 325 E HA 0.103 4.452 4.350 -0.001 0.000 0.224 325 E C -0.953 175.646 176.600 -0.003 0.000 0.951 325 E CA -0.025 56.374 56.400 -0.002 0.000 1.102 325 E CB 0.886 30.584 29.700 -0.003 0.000 1.091 325 E HN -0.028 nan 8.360 nan 0.000 0.507 326 D N 0.906 121.304 120.400 -0.003 0.000 2.456 326 D HA 0.088 4.727 4.640 -0.001 0.000 0.219 326 D C 0.647 176.946 176.300 -0.002 0.000 1.126 326 D CA 0.014 54.012 54.000 -0.003 0.000 0.890 326 D CB 0.721 41.517 40.800 -0.006 0.000 1.025 326 D HN -0.185 nan 8.370 nan 0.000 0.511 327 E N 2.644 122.843 120.200 -0.001 0.000 2.076 327 E HA -0.015 4.334 4.350 -0.001 0.000 0.190 327 E C 0.588 177.188 176.600 0.000 0.000 0.979 327 E CA 0.621 57.022 56.400 0.000 0.000 0.807 327 E CB -0.144 29.557 29.700 0.000 0.000 0.761 327 E HN 0.466 nan 8.360 nan 0.000 0.454 328 R N 1.346 121.845 120.500 -0.002 0.000 2.827 328 R HA 0.076 4.415 4.340 -0.001 0.000 0.269 328 R C 0.720 177.019 176.300 -0.002 0.000 1.048 328 R CA -0.125 55.974 56.100 -0.002 0.000 1.173 328 R CB 0.342 30.639 30.300 -0.005 0.000 1.070 328 R HN -0.156 nan 8.270 nan 0.000 0.498 329 K N 0.619 121.019 120.400 -0.001 0.000 2.284 329 K HA 0.256 4.575 4.320 -0.001 0.000 0.243 329 K C 0.047 176.642 176.600 -0.008 0.000 1.075 329 K CA 0.312 56.599 56.287 -0.000 0.000 0.868 329 K CB 0.289 32.791 32.500 0.002 0.000 1.157 329 K HN 0.366 nan 8.250 nan 0.000 0.512 330 I N 0.485 121.048 120.570 -0.012 0.000 2.647 330 I HA 0.284 4.454 4.170 -0.001 0.000 0.295 330 I C 0.805 176.892 176.117 -0.050 0.000 1.078 330 I CA -0.607 60.675 61.300 -0.029 0.000 1.048 330 I CB 2.036 40.020 38.000 -0.027 0.000 1.239 330 I HN 0.430 nan 8.210 nan 0.000 0.421 331 R N 3.684 124.144 120.500 -0.066 0.000 2.119 331 R HA 0.308 4.648 4.340 -0.001 0.000 0.202 331 R C -0.271 175.946 176.300 -0.138 0.000 1.114 331 R CA 0.646 56.695 56.100 -0.085 0.000 1.089 331 R CB 0.572 30.835 30.300 -0.062 0.000 1.000 331 R HN 0.597 nan 8.270 nan 0.000 0.487 332 R N -0.252 120.172 120.500 -0.126 0.000 2.673 332 R HA 0.515 4.855 4.340 -0.001 0.000 0.281 332 R C -0.946 175.285 176.300 -0.115 0.000 0.991 332 R CA -0.604 55.402 56.100 -0.157 0.000 0.896 332 R CB 2.111 32.333 30.300 -0.131 0.000 1.201 332 R HN 0.061 nan 8.270 nan 0.000 0.457 333 I N 0.437 120.933 120.570 -0.123 0.000 2.785 333 I HA 0.887 5.056 4.170 -0.001 0.000 0.302 333 I C -0.597 175.486 176.117 -0.056 0.000 1.069 333 I CA -0.253 61.003 61.300 -0.073 0.000 1.045 333 I CB 2.347 40.314 38.000 -0.056 0.000 1.236 333 I HN 0.848 nan 8.210 nan 0.000 0.429 334 G N 4.749 113.524 108.800 -0.042 0.000 2.428 334 G HA2 0.572 4.531 3.960 -0.001 0.000 0.304 334 G HA3 0.572 4.531 3.960 -0.001 0.000 0.304 334 G C -1.670 173.203 174.900 -0.045 0.000 1.303 334 G CA 0.017 45.099 45.100 -0.029 0.000 0.825 334 G HN 1.291 nan 8.290 nan 0.000 0.484 335 V N -3.043 116.834 119.914 -0.063 0.000 3.202 335 V HA 1.010 5.129 4.120 -0.001 0.000 0.306 335 V C -1.364 174.566 176.094 -0.274 0.000 1.283 335 V CA -1.343 60.861 62.300 -0.161 0.000 1.065 335 V CB 2.078 33.769 31.823 -0.221 0.000 1.079 335 V HN 1.155 nan 8.190 nan 0.000 0.448 336 R N 1.017 121.227 120.500 -0.483 0.000 2.536 336 R HA 0.599 4.938 4.340 -0.001 0.000 0.269 336 R C -2.081 173.863 176.300 -0.593 0.000 1.113 336 R CA -0.346 55.494 56.100 -0.433 0.000 0.948 336 R CB 1.871 32.032 30.300 -0.232 0.000 1.237 336 R HN 0.679 nan 8.270 nan 0.000 0.441 337 F N 0.727 120.692 119.950 0.025 0.000 2.483 337 F HA 0.651 5.177 4.527 -0.000 0.000 0.329 337 F C 1.128 176.753 175.800 -0.292 0.000 1.064 337 F CA -0.149 57.846 58.000 -0.010 0.000 0.986 337 F CB 1.939 40.981 39.000 0.070 0.000 1.218 337 F HN 0.732 nan 8.300 nan 0.000 0.484 338 S N -0.979 114.521 115.700 -0.333 0.000 4.006 338 S HA 0.306 4.775 4.470 -0.001 0.000 0.292 338 S C -0.612 173.605 174.600 -0.639 0.000 1.069 338 S CA -1.083 56.519 58.200 -0.997 0.000 1.237 338 S CB 0.374 63.222 63.200 -0.586 0.000 1.706 338 S HN 0.365 nan 8.310 nan 0.000 0.569 339 K N 0.807 120.973 120.400 -0.390 0.000 3.100 339 K HA -0.132 4.188 4.320 -0.001 0.000 0.261 339 K C -0.877 175.721 176.600 -0.003 0.000 0.920 339 K CA 0.380 56.590 56.287 -0.129 0.000 0.683 339 K CB -2.246 30.238 32.500 -0.025 0.000 1.349 339 K HN 0.486 nan 8.250 nan 0.000 0.473 340 F N 0.573 120.558 119.950 0.059 0.000 2.623 340 F HA -0.063 4.466 4.527 0.002 0.000 0.386 340 F C 1.906 177.734 175.800 0.046 0.000 1.068 340 F CA -0.248 57.782 58.000 0.050 0.000 1.265 340 F CB -0.011 39.014 39.000 0.041 0.000 1.026 340 F HN 0.022 nan 8.300 nan 0.000 0.568 341 I N 2.143 122.874 120.570 0.268 0.000 2.823 341 I HA 0.504 4.674 4.170 -0.001 0.000 0.290 341 I C 0.405 176.598 176.117 0.126 0.000 1.091 341 I CA 0.322 61.717 61.300 0.158 0.000 1.365 341 I CB 1.005 39.082 38.000 0.128 0.000 1.427 341 I HN 0.759 nan 8.210 nan 0.000 0.583 342 E N 0.000 120.254 120.200 0.091 0.000 2.725 342 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 342 E CA 0.000 nan 56.400 nan 0.000 0.976 342 E CB 0.000 nan 29.700 nan 0.000 0.812 342 E HN 0.000 nan 8.360 nan 0.000 0.440