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 3mvt_1_A DATA FIRST_RESID 4 DATA SEQUENCE TPAFNKPKVE LHVHLDGAIK PETILYFGKK RGIALPADTV EELRNIIGMD DATA SEQUENCE KPLSLPGFLA KFDYYMPVIA GCREAIKRIA YEFVEMKAKE GVVYVEVRYS DATA SEQUENCE PHLLANSKVD PMPWNQTEGD VTPDDVVDLV NQGLQEGEQA FGIKVRSILC DATA SEQUENCE CMRHQPSWSL EVLELCKKYN QKTVVAMDLA GDETIEGSSL FPGHVEAYEG DATA SEQUENCE AVKNGIHRTV HAGEVGSPEV VREAVDILKT ERVGHGYHTI EDEALYNRLL DATA SEQUENCE KENMHFEVCP WSSYLTGAWD PKTTHAVVRF KNDKANYSLN TDDPLIFKST DATA SEQUENCE LDTDYQMTKK DMGFTEEEFK RLNINAAKSS FLPEEEKKEL LERLYREYQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.690 174.700 -0.017 0.000 1.109 4 T CA 0.000 62.089 62.100 -0.019 0.000 1.349 4 T CB 0.000 68.864 68.868 -0.007 0.000 0.612 5 P HA 0.284 nan 4.420 nan 0.000 0.265 5 P C 1.124 178.417 177.300 -0.011 0.000 1.187 5 P CA 0.018 63.092 63.100 -0.044 0.000 0.766 5 P CB 0.667 32.318 31.700 -0.081 0.000 0.820 6 A N 2.744 125.571 122.820 0.011 0.000 1.929 6 A HA -0.047 4.273 4.320 -0.001 0.000 0.216 6 A C 0.757 178.457 177.584 0.194 0.000 1.176 6 A CA 0.913 53.020 52.037 0.117 0.000 0.628 6 A CB -0.506 18.584 19.000 0.151 0.000 0.816 6 A HN 0.532 nan 8.150 nan 0.000 0.444 7 F N 0.251 120.075 119.950 -0.210 0.000 2.810 7 F HA 0.436 4.963 4.527 -0.001 0.000 0.373 7 F C -0.408 175.244 175.800 -0.248 0.000 1.174 7 F CA -1.598 56.258 58.000 -0.239 0.000 1.141 7 F CB 0.671 39.322 39.000 -0.581 0.000 1.420 7 F HN 0.050 nan 8.300 nan 0.000 0.518 8 N N 4.759 123.221 118.700 -0.396 0.000 3.331 8 N HA 0.247 4.987 4.740 -0.001 0.000 0.303 8 N C -1.126 174.112 175.510 -0.454 0.000 1.326 8 N CA 0.236 53.081 53.050 -0.343 0.000 1.207 8 N CB -0.039 38.332 38.487 -0.193 0.000 1.477 8 N HN 0.545 nan 8.380 nan 0.000 0.541 9 K N -0.062 119.926 120.400 -0.685 0.000 2.522 9 K HA 0.453 4.772 4.320 -0.001 0.000 0.275 9 K C -2.842 173.604 176.600 -0.257 0.000 1.006 9 K CA -2.093 53.880 56.287 -0.524 0.000 0.890 9 K CB 1.573 33.627 32.500 -0.743 0.000 1.475 9 K HN -0.033 nan 8.250 nan 0.000 0.441 10 P HA -0.022 nan 4.420 nan 0.000 0.264 10 P C -1.254 176.171 177.300 0.208 0.000 1.183 10 P CA 0.400 63.526 63.100 0.043 0.000 0.763 10 P CB 0.410 32.098 31.700 -0.020 0.000 0.807 11 K N 1.159 121.645 120.400 0.143 0.000 2.400 11 K HA 0.685 5.005 4.320 -0.001 0.000 0.246 11 K C -1.196 175.505 176.600 0.169 0.000 0.995 11 K CA -1.041 55.369 56.287 0.205 0.000 0.840 11 K CB 2.026 34.594 32.500 0.114 0.000 1.293 11 K HN 0.035 nan 8.250 nan 0.000 0.445 12 V N 1.239 121.272 119.914 0.199 0.000 2.531 12 V HA 0.335 4.454 4.120 -0.001 0.000 0.301 12 V C -0.866 175.324 176.094 0.159 0.000 1.034 12 V CA -0.719 61.689 62.300 0.179 0.000 0.865 12 V CB 1.561 33.505 31.823 0.201 0.000 0.995 12 V HN 0.770 nan 8.190 nan 0.000 0.424 13 E N 3.503 123.766 120.200 0.104 0.000 2.210 13 E HA 0.600 4.950 4.350 -0.001 0.000 0.266 13 E C -0.437 176.204 176.600 0.068 0.000 0.883 13 E CA -0.555 55.918 56.400 0.121 0.000 0.761 13 E CB 1.863 31.646 29.700 0.139 0.000 1.156 13 E HN 0.665 nan 8.360 nan 0.000 0.412 14 L N 2.955 124.245 121.223 0.110 0.000 2.878 14 L HA 0.288 4.628 4.340 -0.001 0.000 0.253 14 L C 0.030 176.963 176.870 0.104 0.000 1.135 14 L CA -0.140 54.732 54.840 0.052 0.000 0.943 14 L CB 0.538 42.596 42.059 -0.002 0.000 1.307 14 L HN 0.592 nan 8.230 nan 0.000 0.545 15 H N 0.341 119.456 119.070 0.075 0.000 2.974 15 H HA 0.568 5.124 4.556 -0.000 0.000 0.285 15 H C -1.656 173.772 175.328 0.168 0.000 1.227 15 H CA -0.251 55.840 56.048 0.071 0.000 1.569 15 H CB 1.563 31.341 29.762 0.026 0.000 1.648 15 H HN -0.192 nan 8.280 nan 0.000 0.521 16 V N 5.595 125.622 119.914 0.187 0.000 2.852 16 V HA 0.251 4.371 4.120 -0.001 0.000 0.300 16 V C -1.521 174.663 176.094 0.150 0.000 1.205 16 V CA -0.532 61.974 62.300 0.345 0.000 0.940 16 V CB 1.881 33.945 31.823 0.401 0.000 1.047 16 V HN 0.828 nan 8.190 nan 0.000 0.429 17 H N 6.328 125.547 119.070 0.248 0.000 2.517 17 H HA 0.270 4.825 4.556 -0.001 0.000 0.317 17 H C 0.701 176.099 175.328 0.116 0.000 1.080 17 H CA -0.099 56.068 56.048 0.199 0.000 1.301 17 H CB 2.322 32.280 29.762 0.327 0.000 1.425 17 H HN 0.702 nan 8.280 nan 0.000 0.471 18 L N 3.683 124.941 121.223 0.058 0.000 2.042 18 L HA -0.202 4.137 4.340 -0.001 0.000 0.210 18 L C 1.772 178.708 176.870 0.110 0.000 1.076 18 L CA 1.939 56.709 54.840 -0.116 0.000 0.749 18 L CB -0.383 41.526 42.059 -0.251 0.000 0.893 18 L HN 0.689 nan 8.230 nan 0.000 0.432 19 D N -1.505 119.047 120.400 0.253 0.000 2.363 19 D HA -0.008 4.631 4.640 -0.001 0.000 0.220 19 D C 1.659 178.286 176.300 0.546 0.000 0.994 19 D CA 0.912 55.130 54.000 0.363 0.000 0.890 19 D CB -0.625 40.388 40.800 0.354 0.000 0.906 19 D HN 0.409 nan 8.370 nan 0.000 0.530 20 G N -0.688 108.405 108.800 0.489 0.000 3.690 20 G HA2 0.454 4.413 3.960 -0.001 0.000 0.283 20 G HA3 0.454 4.413 3.960 -0.001 0.000 0.283 20 G C 0.273 175.304 174.900 0.219 0.000 1.057 20 G CA -0.060 45.257 45.100 0.362 0.000 0.821 20 G HN 0.408 nan 8.290 nan 0.000 0.526 21 A N 0.869 123.820 122.820 0.219 0.000 3.453 21 A HA 0.662 4.981 4.320 -0.001 0.000 0.262 21 A C -0.555 177.135 177.584 0.177 0.000 1.026 21 A CA -0.329 51.842 52.037 0.223 0.000 0.938 21 A CB -0.007 19.236 19.000 0.406 0.000 1.246 21 A HN 0.195 nan 8.150 nan 0.000 0.546 22 I N 0.610 121.208 120.570 0.047 0.000 2.509 22 I HA 0.303 4.473 4.170 -0.001 0.000 0.293 22 I C -0.050 176.042 176.117 -0.042 0.000 1.020 22 I CA -0.875 60.433 61.300 0.013 0.000 1.088 22 I CB 2.308 40.278 38.000 -0.049 0.000 1.267 22 I HN 0.284 nan 8.210 nan 0.000 0.430 23 K N 6.008 126.406 120.400 -0.004 0.000 2.448 23 K HA 0.102 4.422 4.320 -0.001 0.000 0.278 23 K C -1.749 174.822 176.600 -0.048 0.000 1.009 23 K CA -1.050 55.223 56.287 -0.023 0.000 0.995 23 K CB 0.494 32.990 32.500 -0.006 0.000 0.917 23 K HN 0.267 nan 8.250 nan 0.000 0.481 24 P HA -0.167 nan 4.420 nan 0.000 0.218 24 P C 0.309 177.593 177.300 -0.027 0.000 1.148 24 P CA 1.204 64.263 63.100 -0.068 0.000 0.822 24 P CB 0.305 31.971 31.700 -0.056 0.000 0.784 25 E N -1.217 118.973 120.200 -0.016 0.000 2.077 25 E HA -0.121 4.229 4.350 -0.001 0.000 0.193 25 E C 1.946 178.559 176.600 0.021 0.000 0.989 25 E CA 1.568 57.966 56.400 -0.002 0.000 0.800 25 E CB -1.348 28.343 29.700 -0.016 0.000 0.746 25 E HN 0.213 nan 8.360 nan 0.000 0.452 26 T N 0.542 115.112 114.554 0.027 0.000 2.821 26 T HA -0.034 4.315 4.350 -0.001 0.000 0.267 26 T C 1.903 176.727 174.700 0.207 0.000 1.046 26 T CA 0.748 62.898 62.100 0.083 0.000 1.139 26 T CB -0.190 68.756 68.868 0.130 0.000 0.871 26 T HN 0.078 nan 8.240 nan 0.000 0.454 27 I N 0.745 121.395 120.570 0.134 0.000 2.179 27 I HA -0.133 4.037 4.170 -0.001 0.000 0.242 27 I C 2.398 178.592 176.117 0.128 0.000 1.088 27 I CA 1.087 62.471 61.300 0.140 0.000 1.357 27 I CB -0.292 37.711 38.000 0.004 0.000 1.051 27 I HN 0.205 nan 8.210 nan 0.000 0.409 28 L N -0.281 120.983 121.223 0.068 0.000 2.046 28 L HA -0.286 4.053 4.340 -0.001 0.000 0.208 28 L C 2.697 179.584 176.870 0.027 0.000 1.077 28 L CA 1.849 56.712 54.840 0.039 0.000 0.747 28 L CB -0.488 41.582 42.059 0.018 0.000 0.896 28 L HN 0.290 nan 8.230 nan 0.000 0.432 29 Y N 0.034 120.264 120.300 -0.116 0.000 2.097 29 Y HA -0.331 4.219 4.550 -0.001 0.000 0.282 29 Y C 2.228 177.967 175.900 -0.267 0.000 1.152 29 Y CA 2.124 60.071 58.100 -0.254 0.000 1.136 29 Y CB -0.501 37.698 38.460 -0.434 0.000 0.975 29 Y HN 0.069 nan 8.280 nan 0.000 0.498 30 F N 0.077 120.100 119.950 0.121 0.000 2.259 30 F HA 0.032 4.558 4.527 -0.001 0.000 0.298 30 F C 2.613 178.389 175.800 -0.040 0.000 1.088 30 F CA 1.196 59.209 58.000 0.021 0.000 1.358 30 F CB -1.215 37.854 39.000 0.116 0.000 1.040 30 F HN 0.137 nan 8.300 nan 0.000 0.505 31 G N 0.130 109.008 108.800 0.130 0.000 2.469 31 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.219 31 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.219 31 G C 1.816 176.712 174.900 -0.007 0.000 1.150 31 G CA 0.850 45.986 45.100 0.060 0.000 0.763 31 G HN 0.264 nan 8.290 nan 0.000 0.561 32 K N 0.123 120.478 120.400 -0.076 0.000 2.062 32 K HA -0.006 4.313 4.320 -0.001 0.000 0.205 32 K C 2.463 178.977 176.600 -0.143 0.000 1.051 32 K CA 1.112 57.331 56.287 -0.114 0.000 0.941 32 K CB -0.149 32.256 32.500 -0.159 0.000 0.719 32 K HN 0.252 nan 8.250 nan 0.000 0.440 33 K N 1.321 121.579 120.400 -0.236 0.000 2.057 33 K HA -0.128 4.192 4.320 -0.001 0.000 0.207 33 K C 1.950 178.515 176.600 -0.058 0.000 1.049 33 K CA 1.308 57.470 56.287 -0.209 0.000 0.931 33 K CB 0.136 32.441 32.500 -0.324 0.000 0.714 33 K HN 0.032 nan 8.250 nan 0.000 0.440 34 R N -0.926 119.576 120.500 0.003 0.000 2.246 34 R HA 0.069 4.408 4.340 -0.001 0.000 0.199 34 R C 0.738 177.047 176.300 0.016 0.000 0.984 34 R CA 0.576 56.696 56.100 0.033 0.000 1.015 34 R CB 0.295 30.636 30.300 0.068 0.000 0.930 34 R HN 0.409 nan 8.270 nan 0.000 0.475 35 G N 2.200 111.000 108.800 0.001 0.000 2.314 35 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.292 35 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.292 35 G C -0.082 174.829 174.900 0.018 0.000 1.059 35 G CA 0.013 45.114 45.100 0.003 0.000 0.982 35 G HN 0.232 nan 8.290 nan 0.000 0.505 36 I N 0.647 121.234 120.570 0.028 0.000 2.412 36 I HA 0.587 4.756 4.170 -0.001 0.000 0.296 36 I C 1.012 177.151 176.117 0.037 0.000 0.987 36 I CA -0.751 60.571 61.300 0.037 0.000 1.180 36 I CB 1.793 39.821 38.000 0.045 0.000 1.340 36 I HN 0.359 nan 8.210 nan 0.000 0.455 37 A N 7.443 130.286 122.820 0.039 0.000 2.511 37 A HA 0.451 4.771 4.320 -0.001 0.000 0.242 37 A C -0.390 177.222 177.584 0.047 0.000 1.069 37 A CA 0.305 52.365 52.037 0.038 0.000 0.763 37 A CB 0.096 19.122 19.000 0.044 0.000 1.001 37 A HN 0.676 nan 8.150 nan 0.000 0.498 38 L N 3.321 124.563 121.223 0.032 0.000 2.303 38 L HA 0.476 4.816 4.340 -0.001 0.000 0.266 38 L C -1.125 175.740 176.870 -0.007 0.000 1.011 38 L CA -1.811 53.046 54.840 0.029 0.000 0.818 38 L CB 2.260 44.330 42.059 0.019 0.000 1.326 38 L HN 0.618 nan 8.230 nan 0.000 0.435 39 P HA 0.117 nan 4.420 nan 0.000 0.245 39 P C -0.386 176.830 177.300 -0.139 0.000 1.212 39 P CA 0.433 63.441 63.100 -0.153 0.000 0.774 39 P CB 0.629 32.038 31.700 -0.485 0.000 0.999 40 A N -0.322 122.439 122.820 -0.098 0.000 2.610 40 A HA 0.500 4.819 4.320 -0.001 0.000 0.291 40 A C -0.714 176.843 177.584 -0.044 0.000 1.086 40 A CA -0.534 51.459 52.037 -0.072 0.000 0.677 40 A CB 0.552 19.499 19.000 -0.088 0.000 1.278 40 A HN -0.171 nan 8.150 nan 0.000 0.414 41 D N 0.646 121.026 120.400 -0.033 0.000 2.469 41 D HA 0.179 4.818 4.640 -0.001 0.000 0.215 41 D C 0.145 176.433 176.300 -0.021 0.000 1.154 41 D CA 1.104 55.090 54.000 -0.023 0.000 0.832 41 D CB 0.980 41.768 40.800 -0.019 0.000 1.008 41 D HN 0.764 nan 8.370 nan 0.000 0.506 42 T N -3.193 111.348 114.554 -0.023 0.000 2.906 42 T HA 0.327 4.677 4.350 -0.001 0.000 0.295 42 T C 1.429 176.116 174.700 -0.021 0.000 1.061 42 T CA -0.643 61.446 62.100 -0.019 0.000 1.000 42 T CB 2.150 71.008 68.868 -0.016 0.000 1.103 42 T HN -0.278 nan 8.240 nan 0.000 0.486 43 V N 1.302 121.206 119.914 -0.017 0.000 2.252 43 V HA -0.197 3.923 4.120 -0.001 0.000 0.249 43 V C 2.774 178.855 176.094 -0.021 0.000 1.056 43 V CA 2.687 64.975 62.300 -0.019 0.000 1.022 43 V CB -1.118 30.697 31.823 -0.015 0.000 0.641 43 V HN 1.097 nan 8.190 nan 0.000 0.445 44 E N 1.000 121.191 120.200 -0.016 0.000 2.033 44 E HA -0.295 4.055 4.350 -0.001 0.000 0.199 44 E C 2.032 178.621 176.600 -0.017 0.000 1.011 44 E CA 2.400 58.793 56.400 -0.012 0.000 0.815 44 E CB -0.379 29.316 29.700 -0.008 0.000 0.755 44 E HN 0.733 nan 8.360 nan 0.000 0.451 45 E N -0.251 119.934 120.200 -0.024 0.000 2.150 45 E HA -0.127 4.223 4.350 -0.001 0.000 0.193 45 E C 2.102 178.670 176.600 -0.054 0.000 0.985 45 E CA 0.753 57.132 56.400 -0.034 0.000 0.814 45 E CB -0.140 29.538 29.700 -0.037 0.000 0.752 45 E HN 0.219 nan 8.360 nan 0.000 0.466 46 L N 1.415 122.605 121.223 -0.055 0.000 2.017 46 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 46 L C 2.364 179.196 176.870 -0.063 0.000 1.073 46 L CA 1.730 56.527 54.840 -0.071 0.000 0.745 46 L CB -0.297 41.730 42.059 -0.055 0.000 0.894 46 L HN -0.054 nan 8.230 nan 0.000 0.432 47 R N -0.827 119.649 120.500 -0.041 0.000 2.193 47 R HA -0.127 4.213 4.340 -0.001 0.000 0.229 47 R C 1.243 177.540 176.300 -0.004 0.000 1.110 47 R CA 1.356 57.441 56.100 -0.025 0.000 0.988 47 R CB -0.101 30.192 30.300 -0.012 0.000 0.871 47 R HN 0.488 nan 8.270 nan 0.000 0.458 48 N N -0.133 118.560 118.700 -0.011 0.000 2.325 48 N HA -0.022 4.717 4.740 -0.001 0.000 0.182 48 N C 1.341 176.850 175.510 -0.002 0.000 1.088 48 N CA 0.431 53.486 53.050 0.008 0.000 0.879 48 N CB 0.411 38.902 38.487 0.007 0.000 0.983 48 N HN 0.282 nan 8.380 nan 0.000 0.471 49 I N 0.176 120.717 120.570 -0.049 0.000 2.927 49 I HA 0.139 4.309 4.170 -0.001 0.000 0.268 49 I C 1.687 177.788 176.117 -0.026 0.000 1.153 49 I CA 0.304 61.550 61.300 -0.090 0.000 1.459 49 I CB 0.379 38.224 38.000 -0.257 0.000 1.149 49 I HN -0.121 nan 8.210 nan 0.000 0.443 50 I N 0.810 121.370 120.570 -0.017 0.000 2.353 50 I HA -0.041 4.129 4.170 -0.001 0.000 0.248 50 I C 1.532 177.698 176.117 0.081 0.000 1.119 50 I CA 0.574 61.934 61.300 0.099 0.000 1.417 50 I CB -0.884 37.140 38.000 0.040 0.000 1.078 50 I HN 0.235 nan 8.210 nan 0.000 0.421 51 G N 0.854 109.690 108.800 0.060 0.000 2.599 51 G HA2 0.540 4.499 3.960 -0.001 0.000 0.264 51 G HA3 0.540 4.499 3.960 -0.001 0.000 0.264 51 G C -0.525 174.458 174.900 0.137 0.000 1.200 51 G CA -0.426 44.734 45.100 0.099 0.000 0.896 51 G HN 0.001 nan 8.290 nan 0.000 0.536 52 M N 0.341 120.058 119.600 0.194 0.000 2.395 52 M HA 0.279 4.759 4.480 -0.001 0.000 0.307 52 M C -0.697 175.715 176.300 0.186 0.000 1.091 52 M CA -0.638 54.769 55.300 0.178 0.000 0.919 52 M CB 2.634 35.362 32.600 0.214 0.000 1.662 52 M HN 0.648 nan 8.290 nan 0.000 0.440 53 D N -0.358 120.124 120.400 0.138 0.000 2.469 53 D HA 0.195 4.834 4.640 -0.001 0.000 0.213 53 D C -0.217 176.139 176.300 0.093 0.000 1.135 53 D CA -0.028 54.078 54.000 0.176 0.000 0.834 53 D CB 0.662 41.573 40.800 0.185 0.000 1.009 53 D HN 0.114 nan 8.370 nan 0.000 0.507 54 K N 0.857 121.252 120.400 -0.008 0.000 2.422 54 K HA 0.419 4.739 4.320 -0.001 0.000 0.251 54 K C -2.940 173.517 176.600 -0.239 0.000 0.933 54 K CA -2.099 54.127 56.287 -0.103 0.000 0.798 54 K CB 2.332 34.815 32.500 -0.028 0.000 1.238 54 K HN -0.145 nan 8.250 nan 0.000 0.428 55 P HA 0.071 nan 4.420 nan 0.000 0.264 55 P C -0.475 176.707 177.300 -0.197 0.000 1.193 55 P CA -0.202 62.633 63.100 -0.443 0.000 0.763 55 P CB 0.461 31.834 31.700 -0.544 0.000 0.810 56 L N 1.929 123.081 121.223 -0.118 0.000 2.464 56 L HA 0.533 4.872 4.340 -0.001 0.000 0.264 56 L C 0.916 177.774 176.870 -0.019 0.000 1.062 56 L CA -0.374 54.450 54.840 -0.027 0.000 0.935 56 L CB 0.663 42.755 42.059 0.055 0.000 1.603 56 L HN 0.388 nan 8.230 nan 0.000 0.528 57 S N -0.948 114.767 115.700 0.024 0.000 2.694 57 S HA 0.291 4.760 4.470 -0.001 0.000 0.278 57 S C 0.755 175.412 174.600 0.095 0.000 1.152 57 S CA -0.331 57.888 58.200 0.031 0.000 1.010 57 S CB 0.422 63.637 63.200 0.024 0.000 1.104 57 S HN 0.434 nan 8.310 nan 0.000 0.547 58 L N 1.132 122.412 121.223 0.095 0.000 2.156 58 L HA 0.221 4.560 4.340 -0.001 0.000 0.208 58 L C -1.262 175.727 176.870 0.198 0.000 1.095 58 L CA 1.123 56.070 54.840 0.178 0.000 0.770 58 L CB -1.321 40.813 42.059 0.125 0.000 0.914 58 L HN 0.546 nan 8.230 nan 0.000 0.439 59 P HA -0.024 nan 4.420 nan 0.000 0.218 59 P C 1.621 178.957 177.300 0.060 0.000 1.152 59 P CA 1.440 64.579 63.100 0.064 0.000 0.826 59 P CB -0.235 31.483 31.700 0.030 0.000 0.790 60 G N -0.576 108.273 108.800 0.081 0.000 2.402 60 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.216 60 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.216 60 G C 1.386 176.351 174.900 0.108 0.000 1.162 60 G CA 0.330 45.473 45.100 0.073 0.000 0.777 60 G HN 0.193 nan 8.290 nan 0.000 0.539 61 F N 1.368 121.353 119.950 0.057 0.000 2.075 61 F HA 0.014 4.541 4.527 -0.001 0.000 0.297 61 F C 2.339 178.210 175.800 0.118 0.000 1.113 61 F CA 1.314 59.373 58.000 0.098 0.000 1.218 61 F CB -0.398 38.695 39.000 0.156 0.000 0.984 61 F HN 0.038 nan 8.300 nan 0.000 0.472 62 L N 0.127 121.248 121.223 -0.169 0.000 2.201 62 L HA -0.132 4.208 4.340 -0.001 0.000 0.212 62 L C 2.743 179.571 176.870 -0.071 0.000 1.105 62 L CA 0.908 55.637 54.840 -0.185 0.000 0.775 62 L CB -1.118 40.935 42.059 -0.008 0.000 0.913 62 L HN 0.323 nan 8.230 nan 0.000 0.440 63 A N -0.169 122.585 122.820 -0.111 0.000 2.019 63 A HA -0.177 4.142 4.320 -0.001 0.000 0.219 63 A C 2.199 179.584 177.584 -0.331 0.000 1.164 63 A CA 1.223 53.158 52.037 -0.170 0.000 0.644 63 A CB -0.231 18.675 19.000 -0.157 0.000 0.805 63 A HN 0.197 nan 8.150 nan 0.000 0.449 64 K N -0.465 119.749 120.400 -0.310 0.000 2.152 64 K HA -0.139 4.181 4.320 -0.001 0.000 0.206 64 K C 1.454 177.829 176.600 -0.375 0.000 1.048 64 K CA 1.230 57.342 56.287 -0.292 0.000 0.933 64 K CB -0.760 31.607 32.500 -0.222 0.000 0.721 64 K HN 0.608 nan 8.250 nan 0.000 0.447 65 F N 2.268 121.972 119.950 -0.411 0.000 2.134 65 F HA -0.176 4.350 4.527 -0.001 0.000 0.299 65 F C 1.948 177.287 175.800 -0.767 0.000 1.097 65 F CA 1.267 58.850 58.000 -0.695 0.000 1.264 65 F CB -0.411 38.354 39.000 -0.392 0.000 1.001 65 F HN 0.048 nan 8.300 nan 0.000 0.479 66 D N -0.607 119.654 120.400 -0.233 0.000 2.190 66 D HA -0.231 4.409 4.640 -0.001 0.000 0.200 66 D C 2.028 178.192 176.300 -0.225 0.000 0.992 66 D CA 1.367 55.265 54.000 -0.169 0.000 0.854 66 D CB -0.675 40.083 40.800 -0.071 0.000 0.936 66 D HN 0.264 nan 8.370 nan 0.000 0.462 67 Y N 0.032 120.226 120.300 -0.178 0.000 2.114 67 Y HA -0.239 4.311 4.550 -0.001 0.000 0.282 67 Y C 2.239 178.100 175.900 -0.065 0.000 1.165 67 Y CA 1.164 59.220 58.100 -0.074 0.000 1.148 67 Y CB -0.918 37.557 38.460 0.025 0.000 0.972 67 Y HN 0.279 nan 8.280 nan 0.000 0.504 68 Y N -5.658 114.647 120.300 0.009 0.000 2.467 68 Y HA 0.278 4.828 4.550 -0.001 0.000 0.259 68 Y C 1.769 177.551 175.900 -0.197 0.000 1.084 68 Y CA -0.244 57.821 58.100 -0.059 0.000 1.275 68 Y CB -0.793 37.650 38.460 -0.027 0.000 1.208 68 Y HN -0.199 nan 8.280 nan 0.000 0.511 69 M N 1.623 120.770 119.600 -0.754 0.000 2.144 69 M HA -0.080 4.399 4.480 -0.001 0.000 0.260 69 M C -0.845 175.038 176.300 -0.695 0.000 1.067 69 M CA 1.401 56.180 55.300 -0.868 0.000 1.095 69 M CB -2.093 29.439 32.600 -1.780 0.000 1.365 69 M HN 0.217 nan 8.290 nan 0.000 0.406 70 P HA -0.104 nan 4.420 nan 0.000 0.218 70 P C 1.713 178.960 177.300 -0.088 0.000 1.148 70 P CA 1.287 64.246 63.100 -0.234 0.000 0.822 70 P CB -0.337 31.317 31.700 -0.077 0.000 0.784 71 V N -4.048 115.842 119.914 -0.040 0.000 2.951 71 V HA -0.050 4.070 4.120 -0.001 0.000 0.255 71 V C 1.767 177.863 176.094 0.003 0.000 1.088 71 V CA 1.370 63.693 62.300 0.038 0.000 1.109 71 V CB -1.000 30.894 31.823 0.119 0.000 0.724 71 V HN -0.043 nan 8.190 nan 0.000 0.471 72 I N 1.233 121.777 120.570 -0.042 0.000 2.628 72 I HA 0.334 4.504 4.170 -0.001 0.000 0.255 72 I C 1.756 177.802 176.117 -0.119 0.000 1.119 72 I CA 0.843 62.079 61.300 -0.107 0.000 1.448 72 I CB -1.201 36.783 38.000 -0.027 0.000 1.133 72 I HN 0.378 nan 8.210 nan 0.000 0.438 73 A N 0.652 123.419 122.820 -0.088 0.000 2.445 73 A HA 0.413 4.733 4.320 -0.001 0.000 0.242 73 A C 1.507 179.092 177.584 0.001 0.000 1.075 73 A CA 0.726 52.758 52.037 -0.008 0.000 0.777 73 A CB -0.277 18.775 19.000 0.087 0.000 1.013 73 A HN 0.764 nan 8.150 nan 0.000 0.493 74 G N -0.285 108.521 108.800 0.010 0.000 2.189 74 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.267 74 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.267 74 G C 0.464 175.341 174.900 -0.037 0.000 0.975 74 G CA 0.627 45.727 45.100 0.001 0.000 0.644 74 G HN 1.820 nan 8.290 nan 0.000 0.537 75 C N 1.769 121.015 119.300 -0.091 0.000 2.258 75 C HA 0.658 5.118 4.460 -0.001 0.000 0.321 75 C C 2.063 176.955 174.990 -0.163 0.000 1.168 75 C CA -0.438 58.496 59.018 -0.139 0.000 1.531 75 C CB -0.371 27.220 27.740 -0.248 0.000 2.095 75 C HN 0.512 nan 8.230 nan 0.000 0.449 76 R N 1.792 122.236 120.500 -0.094 0.000 2.096 76 R HA -0.189 4.150 4.340 -0.001 0.000 0.240 76 R C 2.029 178.276 176.300 -0.089 0.000 1.139 76 R CA 2.085 58.139 56.100 -0.077 0.000 0.952 76 R CB -0.140 30.139 30.300 -0.036 0.000 0.854 76 R HN 0.825 nan 8.270 nan 0.000 0.436 77 E N 0.515 120.671 120.200 -0.073 0.000 2.051 77 E HA -0.194 4.156 4.350 -0.001 0.000 0.192 77 E C 2.001 178.536 176.600 -0.110 0.000 0.991 77 E CA 1.205 57.602 56.400 -0.006 0.000 0.799 77 E CB -0.017 29.773 29.700 0.150 0.000 0.748 77 E HN 0.376 nan 8.360 nan 0.000 0.449 78 A N 1.103 123.601 122.820 -0.535 0.000 1.877 78 A HA -0.161 4.158 4.320 -0.001 0.000 0.216 78 A C 2.159 179.572 177.584 -0.285 0.000 1.186 78 A CA 1.294 52.827 52.037 -0.840 0.000 0.620 78 A CB -0.632 17.530 19.000 -1.395 0.000 0.822 78 A HN 0.294 nan 8.150 nan 0.000 0.443 79 I N -0.397 120.037 120.570 -0.228 0.000 2.127 79 I HA -0.309 3.860 4.170 -0.001 0.000 0.241 79 I C 2.588 178.647 176.117 -0.096 0.000 1.075 79 I CA 2.083 63.292 61.300 -0.153 0.000 1.334 79 I CB -0.310 37.602 38.000 -0.146 0.000 1.040 79 I HN 0.395 nan 8.210 nan 0.000 0.405 80 K N 1.195 121.557 120.400 -0.063 0.000 2.057 80 K HA -0.252 4.068 4.320 -0.001 0.000 0.207 80 K C 2.367 179.004 176.600 0.062 0.000 1.049 80 K CA 1.605 57.887 56.287 -0.008 0.000 0.931 80 K CB -0.101 32.396 32.500 -0.004 0.000 0.714 80 K HN 0.125 nan 8.250 nan 0.000 0.440 81 R N 1.260 121.803 120.500 0.071 0.000 2.081 81 R HA -0.114 4.226 4.340 -0.001 0.000 0.235 81 R C 2.398 178.816 176.300 0.197 0.000 1.131 81 R CA 1.848 58.042 56.100 0.157 0.000 0.960 81 R CB -0.504 29.926 30.300 0.217 0.000 0.856 81 R HN 0.473 nan 8.270 nan 0.000 0.436 82 I N -1.775 118.870 120.570 0.125 0.000 2.493 82 I HA 0.014 4.184 4.170 -0.001 0.000 0.254 82 I C 2.143 178.342 176.117 0.138 0.000 1.160 82 I CA 1.458 62.833 61.300 0.124 0.000 1.445 82 I CB -0.326 37.715 38.000 0.068 0.000 1.086 82 I HN 0.129 nan 8.210 nan 0.000 0.433 83 A N 0.722 123.602 122.820 0.101 0.000 1.898 83 A HA -0.137 4.183 4.320 -0.001 0.000 0.214 83 A C 2.321 180.039 177.584 0.224 0.000 1.183 83 A CA 1.220 53.322 52.037 0.108 0.000 0.622 83 A CB -1.122 17.886 19.000 0.013 0.000 0.824 83 A HN 0.616 nan 8.150 nan 0.000 0.444 84 Y N 0.959 121.330 120.300 0.120 0.000 2.097 84 Y HA -0.248 4.302 4.550 -0.001 0.000 0.282 84 Y C 2.240 178.251 175.900 0.185 0.000 1.152 84 Y CA 2.448 60.647 58.100 0.165 0.000 1.136 84 Y CB -0.228 38.312 38.460 0.134 0.000 0.975 84 Y HN 0.434 nan 8.280 nan 0.000 0.498 85 E N -0.693 119.640 120.200 0.222 0.000 2.268 85 E HA -0.195 4.155 4.350 -0.001 0.000 0.195 85 E C 1.863 178.450 176.600 -0.022 0.000 0.995 85 E CA 0.877 57.314 56.400 0.062 0.000 0.836 85 E CB -0.369 29.412 29.700 0.134 0.000 0.763 85 E HN 0.554 nan 8.360 nan 0.000 0.491 86 F N 1.014 120.932 119.950 -0.053 0.000 2.102 86 F HA -0.233 4.293 4.527 -0.001 0.000 0.298 86 F C 2.011 177.740 175.800 -0.119 0.000 1.105 86 F CA 1.145 59.110 58.000 -0.060 0.000 1.239 86 F CB -0.241 38.750 39.000 -0.014 0.000 0.991 86 F HN -0.200 nan 8.300 nan 0.000 0.474 87 V N 0.550 120.380 119.914 -0.139 0.000 2.295 87 V HA -0.305 3.815 4.120 -0.001 0.000 0.246 87 V C 2.387 178.174 176.094 -0.512 0.000 1.049 87 V CA 2.185 64.344 62.300 -0.235 0.000 1.024 87 V CB -0.850 30.985 31.823 0.019 0.000 0.648 87 V HN 0.454 nan 8.190 nan 0.000 0.447 88 E N -0.082 119.643 120.200 -0.791 0.000 2.049 88 E HA -0.293 4.056 4.350 -0.001 0.000 0.198 88 E C 2.250 178.411 176.600 -0.732 0.000 1.007 88 E CA 2.103 57.704 56.400 -1.332 0.000 0.809 88 E CB -0.204 28.805 29.700 -1.153 0.000 0.749 88 E HN 0.544 nan 8.360 nan 0.000 0.450 89 M N 0.121 119.418 119.600 -0.505 0.000 2.065 89 M HA -0.178 4.301 4.480 -0.001 0.000 0.259 89 M C 2.333 178.407 176.300 -0.377 0.000 1.069 89 M CA 1.435 56.514 55.300 -0.369 0.000 1.110 89 M CB -0.115 32.311 32.600 -0.289 0.000 1.328 89 M HN -0.054 nan 8.290 nan 0.000 0.405 90 K N 0.260 120.362 120.400 -0.496 0.000 2.097 90 K HA -0.017 4.302 4.320 -0.001 0.000 0.205 90 K C 2.066 178.501 176.600 -0.276 0.000 1.050 90 K CA 1.522 57.567 56.287 -0.402 0.000 0.938 90 K CB -0.692 31.490 32.500 -0.529 0.000 0.718 90 K HN 0.343 nan 8.250 nan 0.000 0.442 91 A N 1.881 124.524 122.820 -0.295 0.000 1.902 91 A HA -0.184 4.135 4.320 -0.001 0.000 0.217 91 A C 2.048 179.528 177.584 -0.173 0.000 1.181 91 A CA 1.610 53.532 52.037 -0.191 0.000 0.623 91 A CB -0.336 18.565 19.000 -0.165 0.000 0.818 91 A HN 0.277 nan 8.150 nan 0.000 0.443 92 K N -0.133 120.133 120.400 -0.223 0.000 2.209 92 K HA -0.130 4.190 4.320 -0.001 0.000 0.204 92 K C 1.416 177.930 176.600 -0.144 0.000 1.048 92 K CA 1.362 57.546 56.287 -0.171 0.000 0.940 92 K CB -0.131 32.258 32.500 -0.185 0.000 0.729 92 K HN 0.624 nan 8.250 nan 0.000 0.451 93 E N -0.194 119.912 120.200 -0.156 0.000 2.511 93 E HA -0.022 4.328 4.350 -0.001 0.000 0.196 93 E C 0.714 177.238 176.600 -0.127 0.000 1.066 93 E CA 0.338 56.658 56.400 -0.133 0.000 0.871 93 E CB 0.181 29.806 29.700 -0.125 0.000 0.863 93 E HN 0.470 nan 8.360 nan 0.000 0.520 94 G N 1.424 110.154 108.800 -0.117 0.000 2.160 94 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.244 94 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.244 94 G C 0.245 175.103 174.900 -0.071 0.000 1.022 94 G CA 0.119 45.158 45.100 -0.102 0.000 0.741 94 G HN 0.161 nan 8.290 nan 0.000 0.508 95 V N 0.223 120.097 119.914 -0.067 0.000 2.488 95 V HA 0.386 4.506 4.120 -0.001 0.000 0.277 95 V C 1.450 177.542 176.094 -0.004 0.000 1.046 95 V CA 0.420 62.704 62.300 -0.027 0.000 0.986 95 V CB 1.493 33.283 31.823 -0.054 0.000 0.989 95 V HN 0.397 nan 8.190 nan 0.000 0.475 96 V N 5.770 125.709 119.914 0.042 0.000 3.307 96 V HA 0.243 4.363 4.120 -0.001 0.000 0.253 96 V C -0.073 176.116 176.094 0.158 0.000 1.149 96 V CA 0.745 63.086 62.300 0.068 0.000 1.112 96 V CB 0.107 31.959 31.823 0.048 0.000 0.777 96 V HN 0.804 nan 8.190 nan 0.000 0.464 97 Y N -0.525 119.789 120.300 0.024 0.000 2.433 97 Y HA 0.632 5.182 4.550 -0.001 0.000 0.337 97 Y C -1.082 174.853 175.900 0.058 0.000 1.026 97 Y CA -1.077 57.045 58.100 0.037 0.000 1.037 97 Y CB 1.956 40.431 38.460 0.024 0.000 1.245 97 Y HN -0.156 nan 8.280 nan 0.000 0.443 98 V N 5.930 125.423 119.914 -0.701 0.000 2.888 98 V HA 0.547 4.667 4.120 -0.001 0.000 0.309 98 V C -1.579 174.185 176.094 -0.551 0.000 1.114 98 V CA -0.501 61.513 62.300 -0.476 0.000 0.940 98 V CB 2.217 33.998 31.823 -0.070 0.000 1.021 98 V HN 0.874 nan 8.190 nan 0.000 0.426 99 E N 4.094 124.095 120.200 -0.332 0.000 2.113 99 E HA 0.531 4.880 4.350 -0.001 0.000 0.273 99 E C -1.115 175.470 176.600 -0.025 0.000 0.924 99 E CA -0.359 55.957 56.400 -0.141 0.000 0.764 99 E CB 2.249 31.915 29.700 -0.056 0.000 1.104 99 E HN 0.549 nan 8.360 nan 0.000 0.406 100 V N 4.530 124.429 119.914 -0.024 0.000 2.513 100 V HA 0.551 4.671 4.120 -0.001 0.000 0.299 100 V C -0.682 175.365 176.094 -0.078 0.000 1.035 100 V CA -0.525 61.699 62.300 -0.127 0.000 0.889 100 V CB 1.244 32.762 31.823 -0.509 0.000 0.988 100 V HN 0.726 nan 8.190 nan 0.000 0.440 101 R N 5.435 125.869 120.500 -0.111 0.000 2.803 101 R HA 0.806 5.146 4.340 -0.001 0.000 0.276 101 R C -1.694 174.649 176.300 0.073 0.000 0.978 101 R CA -0.583 55.463 56.100 -0.090 0.000 0.939 101 R CB 2.026 32.176 30.300 -0.249 0.000 1.179 101 R HN 0.819 nan 8.270 nan 0.000 0.472 102 Y N -2.285 117.993 120.300 -0.037 0.000 2.713 102 Y HA 0.478 5.027 4.550 -0.001 0.000 0.335 102 Y C -1.453 174.494 175.900 0.078 0.000 1.222 102 Y CA -1.295 56.839 58.100 0.056 0.000 1.061 102 Y CB 1.194 39.671 38.460 0.028 0.000 1.314 102 Y HN 0.626 nan 8.280 nan 0.000 0.453 103 S N 3.136 118.949 115.700 0.188 0.000 2.422 103 S HA 0.398 4.868 4.470 -0.001 0.000 0.298 103 S C -1.798 172.930 174.600 0.213 0.000 1.118 103 S CA -1.650 56.628 58.200 0.130 0.000 1.083 103 S CB 0.773 64.109 63.200 0.226 0.000 0.971 103 S HN 0.584 nan 8.310 nan 0.000 0.478 104 P HA -0.103 nan 4.420 nan 0.000 0.217 104 P C 0.682 177.918 177.300 -0.106 0.000 1.150 104 P CA 1.330 64.485 63.100 0.091 0.000 0.832 104 P CB -0.074 31.579 31.700 -0.078 0.000 0.787 105 H N 0.001 118.933 119.070 -0.230 0.000 2.390 105 H HA -0.048 4.507 4.556 -0.001 0.000 0.298 105 H C 2.023 177.175 175.328 -0.293 0.000 1.106 105 H CA 1.142 56.866 56.048 -0.540 0.000 1.297 105 H CB -1.103 27.817 29.762 -1.404 0.000 1.375 105 H HN 0.064 nan 8.280 nan 0.000 0.509 106 L N 0.027 121.297 121.223 0.079 0.000 2.551 106 L HA -0.067 4.273 4.340 -0.001 0.000 0.228 106 L C 0.973 178.068 176.870 0.376 0.000 1.153 106 L CA 0.587 55.586 54.840 0.265 0.000 0.851 106 L CB 0.005 42.286 42.059 0.370 0.000 0.959 106 L HN 0.300 nan 8.230 nan 0.000 0.451 107 L N -1.158 120.182 121.223 0.195 0.000 2.766 107 L HA 0.328 4.668 4.340 -0.001 0.000 0.242 107 L C 1.043 177.952 176.870 0.064 0.000 1.136 107 L CA -0.413 54.511 54.840 0.139 0.000 0.933 107 L CB 0.132 42.228 42.059 0.061 0.000 1.241 107 L HN 0.037 nan 8.230 nan 0.000 0.522 108 A N 1.104 123.936 122.820 0.019 0.000 2.286 108 A HA 0.380 4.700 4.320 -0.001 0.000 0.286 108 A C 0.496 178.093 177.584 0.022 0.000 1.097 108 A CA -0.247 51.774 52.037 -0.027 0.000 0.821 108 A CB 0.109 19.037 19.000 -0.121 0.000 1.076 108 A HN 0.529 nan 8.150 nan 0.000 0.490 109 N N -0.655 118.053 118.700 0.012 0.000 2.387 109 N HA 0.260 4.999 4.740 -0.001 0.000 0.259 109 N C -0.583 174.936 175.510 0.015 0.000 1.369 109 N CA -0.029 53.040 53.050 0.032 0.000 0.867 109 N CB 0.806 39.322 38.487 0.048 0.000 1.341 109 N HN 0.388 nan 8.380 nan 0.000 0.495 110 S N 0.572 116.268 115.700 -0.007 0.000 2.556 110 S HA 0.256 4.726 4.470 -0.001 0.000 0.271 110 S C -0.815 173.772 174.600 -0.021 0.000 1.135 110 S CA -0.539 57.657 58.200 -0.007 0.000 0.858 110 S CB 0.992 64.186 63.200 -0.009 0.000 1.114 110 S HN 0.221 nan 8.310 nan 0.000 0.468 111 K N 0.625 121.021 120.400 -0.006 0.000 3.356 111 K HA -0.174 4.145 4.320 -0.001 0.000 0.270 111 K C -0.773 175.820 176.600 -0.012 0.000 0.901 111 K CA 0.882 57.167 56.287 -0.004 0.000 0.688 111 K CB -1.676 30.814 32.500 -0.016 0.000 1.460 111 K HN 0.622 nan 8.250 nan 0.000 0.458 112 V N 0.256 120.178 119.914 0.013 0.000 2.891 112 V HA 0.547 4.667 4.120 -0.001 0.000 0.304 112 V C -1.845 174.331 176.094 0.136 0.000 1.171 112 V CA -0.795 61.523 62.300 0.029 0.000 0.943 112 V CB 2.528 34.298 31.823 -0.088 0.000 1.037 112 V HN 0.334 nan 8.190 nan 0.000 0.427 113 D N 6.758 127.339 120.400 0.302 0.000 2.970 113 D HA 0.642 5.281 4.640 -0.001 0.000 0.230 113 D C -2.811 173.713 176.300 0.373 0.000 1.276 113 D CA -0.834 53.333 54.000 0.279 0.000 0.910 113 D CB 3.305 44.201 40.800 0.160 0.000 1.590 113 D HN 0.503 nan 8.370 nan 0.000 0.551 114 P HA 0.230 nan 4.420 nan 0.000 0.274 114 P C -0.397 177.013 177.300 0.182 0.000 1.246 114 P CA -0.698 62.477 63.100 0.126 0.000 0.795 114 P CB 0.558 32.271 31.700 0.021 0.000 1.006 115 M N 3.282 122.939 119.600 0.094 0.000 2.251 115 M HA 0.239 4.719 4.480 -0.001 0.000 0.346 115 M C -2.250 174.057 176.300 0.012 0.000 1.499 115 M CA -2.089 53.253 55.300 0.070 0.000 1.128 115 M CB -0.288 32.345 32.600 0.054 0.000 1.809 115 M HN 0.130 nan 8.290 nan 0.000 0.464 116 P HA 0.043 nan 4.420 nan 0.000 0.272 116 P C -0.787 176.342 177.300 -0.285 0.000 1.223 116 P CA 0.249 63.126 63.100 -0.373 0.000 0.784 116 P CB 0.068 31.473 31.700 -0.491 0.000 0.923 117 W N 0.530 121.865 121.300 0.059 0.000 4.973 117 W HA -0.259 4.401 4.660 -0.001 0.000 0.350 117 W C 0.398 176.937 176.519 0.033 0.000 1.280 117 W CA 0.605 57.970 57.345 0.032 0.000 0.854 117 W CB -3.352 26.124 29.460 0.025 0.000 2.367 117 W HN 0.526 nan 8.180 nan 0.000 1.511 118 N N -0.768 118.006 118.700 0.123 0.000 2.708 118 N HA -0.252 4.487 4.740 -0.001 0.000 0.249 118 N C 0.536 176.113 175.510 0.113 0.000 1.097 118 N CA 1.377 54.487 53.050 0.099 0.000 0.710 118 N CB -0.584 37.959 38.487 0.093 0.000 1.032 118 N HN 0.579 nan 8.380 nan 0.000 0.551 119 Q N -0.287 119.594 119.800 0.135 0.000 2.535 119 Q HA 0.209 4.548 4.340 -0.001 0.000 0.228 119 Q C 0.241 176.288 176.000 0.078 0.000 1.062 119 Q CA 0.231 56.105 55.803 0.119 0.000 0.967 119 Q CB 0.515 29.335 28.738 0.137 0.000 1.273 119 Q HN 0.123 nan 8.270 nan 0.000 0.554 120 T N 1.823 116.416 114.554 0.064 0.000 2.869 120 T HA 0.046 4.396 4.350 -0.001 0.000 0.295 120 T C -0.092 174.634 174.700 0.043 0.000 0.987 120 T CA -0.618 61.511 62.100 0.047 0.000 1.109 120 T CB 0.607 69.498 68.868 0.040 0.000 0.932 120 T HN 0.325 nan 8.240 nan 0.000 0.518 121 E N 1.742 121.963 120.200 0.036 0.000 2.820 121 E HA 0.051 4.400 4.350 -0.001 0.000 0.251 121 E C 0.602 177.217 176.600 0.025 0.000 0.944 121 E CA 0.426 56.844 56.400 0.029 0.000 0.955 121 E CB 0.522 30.237 29.700 0.024 0.000 0.904 121 E HN 0.840 nan 8.360 nan 0.000 0.513 122 G N 2.359 111.172 108.800 0.022 0.000 3.234 122 G HA2 0.163 4.123 3.960 -0.001 0.000 0.159 122 G HA3 0.163 4.123 3.960 -0.001 0.000 0.159 122 G C -0.099 174.807 174.900 0.010 0.000 1.175 122 G CA -0.026 45.084 45.100 0.017 0.000 0.900 122 G HN 0.529 nan 8.290 nan 0.000 0.621 123 D N -1.177 119.226 120.400 0.005 0.000 2.563 123 D HA 0.141 4.781 4.640 -0.001 0.000 0.237 123 D C -0.118 176.179 176.300 -0.006 0.000 1.282 123 D CA -0.168 53.833 54.000 0.001 0.000 0.816 123 D CB 0.402 41.204 40.800 0.003 0.000 1.066 123 D HN 0.145 nan 8.370 nan 0.000 0.501 124 V N 2.219 122.127 119.914 -0.010 0.000 2.304 124 V HA 0.380 4.500 4.120 -0.001 0.000 0.269 124 V C 0.835 176.908 176.094 -0.036 0.000 1.036 124 V CA -0.400 61.887 62.300 -0.021 0.000 0.840 124 V CB 0.443 32.252 31.823 -0.023 0.000 1.036 124 V HN 0.368 nan 8.190 nan 0.000 0.466 125 T N 3.166 117.695 114.554 -0.042 0.000 2.874 125 T HA 0.360 4.710 4.350 -0.001 0.000 0.281 125 T C -1.733 172.900 174.700 -0.112 0.000 0.994 125 T CA -1.913 60.144 62.100 -0.071 0.000 1.015 125 T CB 1.636 70.473 68.868 -0.052 0.000 1.028 125 T HN 0.333 nan 8.240 nan 0.000 0.523 126 P HA -0.077 nan 4.420 nan 0.000 0.218 126 P C 1.267 178.470 177.300 -0.163 0.000 1.148 126 P CA 0.787 63.707 63.100 -0.300 0.000 0.822 126 P CB 0.031 31.328 31.700 -0.672 0.000 0.784 127 D N -0.356 119.993 120.400 -0.084 0.000 2.084 127 D HA -0.177 4.463 4.640 -0.001 0.000 0.194 127 D C 1.329 177.646 176.300 0.028 0.000 0.990 127 D CA 1.247 55.272 54.000 0.042 0.000 0.826 127 D CB -0.325 40.518 40.800 0.073 0.000 0.971 127 D HN -0.021 nan 8.370 nan 0.000 0.453 128 D N 0.292 120.692 120.400 -0.000 0.000 2.157 128 D HA -0.168 4.472 4.640 -0.001 0.000 0.191 128 D C 2.286 178.555 176.300 -0.051 0.000 1.004 128 D CA 0.801 54.792 54.000 -0.014 0.000 0.854 128 D CB -0.529 40.258 40.800 -0.022 0.000 0.936 128 D HN 0.144 nan 8.370 nan 0.000 0.446 129 V N 0.691 120.568 119.914 -0.060 0.000 2.282 129 V HA -0.258 3.861 4.120 -0.001 0.000 0.249 129 V C 2.700 178.752 176.094 -0.070 0.000 1.057 129 V CA 1.426 63.690 62.300 -0.060 0.000 1.032 129 V CB -0.629 31.182 31.823 -0.020 0.000 0.645 129 V HN 0.077 nan 8.190 nan 0.000 0.447 130 V N 0.381 120.244 119.914 -0.085 0.000 2.343 130 V HA -0.304 3.816 4.120 -0.001 0.000 0.247 130 V C 2.308 178.181 176.094 -0.369 0.000 1.051 130 V CA 2.402 64.591 62.300 -0.184 0.000 1.036 130 V CB -0.816 30.785 31.823 -0.371 0.000 0.654 130 V HN 0.635 nan 8.190 nan 0.000 0.451 131 D N 0.021 120.190 120.400 -0.384 0.000 2.123 131 D HA -0.170 4.470 4.640 -0.001 0.000 0.196 131 D C 2.022 178.243 176.300 -0.132 0.000 0.992 131 D CA 1.404 55.247 54.000 -0.262 0.000 0.833 131 D CB -0.148 40.620 40.800 -0.053 0.000 0.954 131 D HN 0.384 nan 8.370 nan 0.000 0.455 132 L N -0.580 120.579 121.223 -0.107 0.000 2.056 132 L HA -0.110 4.230 4.340 -0.001 0.000 0.207 132 L C 2.518 179.335 176.870 -0.087 0.000 1.078 132 L CA 0.458 55.251 54.840 -0.079 0.000 0.749 132 L CB -0.216 41.795 42.059 -0.080 0.000 0.901 132 L HN 0.038 nan 8.230 nan 0.000 0.433 133 V N 0.092 119.924 119.914 -0.137 0.000 2.307 133 V HA -0.287 3.832 4.120 -0.001 0.000 0.245 133 V C 2.006 178.063 176.094 -0.062 0.000 1.045 133 V CA 2.105 64.313 62.300 -0.154 0.000 1.024 133 V CB -0.824 30.802 31.823 -0.329 0.000 0.651 133 V HN 0.508 nan 8.190 nan 0.000 0.449 134 N N -0.176 118.482 118.700 -0.070 0.000 2.037 134 N HA -0.299 4.440 4.740 -0.001 0.000 0.196 134 N C 1.950 177.470 175.510 0.017 0.000 1.034 134 N CA 1.804 54.838 53.050 -0.026 0.000 0.861 134 N CB -0.213 38.232 38.487 -0.071 0.000 1.039 134 N HN 0.582 nan 8.380 nan 0.000 0.427 135 Q N -0.121 119.683 119.800 0.007 0.000 2.061 135 Q HA -0.109 4.230 4.340 -0.001 0.000 0.204 135 Q C 2.422 178.464 176.000 0.071 0.000 0.984 135 Q CA 1.421 57.244 55.803 0.034 0.000 0.846 135 Q CB -0.262 28.486 28.738 0.017 0.000 0.902 135 Q HN 0.477 nan 8.270 nan 0.000 0.421 136 G N 0.790 109.634 108.800 0.073 0.000 2.418 136 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.217 136 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.217 136 G C 1.408 176.426 174.900 0.198 0.000 1.158 136 G CA 0.496 45.689 45.100 0.156 0.000 0.771 136 G HN 0.158 nan 8.290 nan 0.000 0.545 137 L N -0.273 121.028 121.223 0.129 0.000 2.056 137 L HA -0.098 4.241 4.340 -0.001 0.000 0.207 137 L C 3.151 180.103 176.870 0.135 0.000 1.078 137 L CA 1.139 56.064 54.840 0.141 0.000 0.749 137 L CB -0.495 41.633 42.059 0.114 0.000 0.901 137 L HN 0.271 nan 8.230 nan 0.000 0.433 138 Q N -0.130 119.737 119.800 0.112 0.000 2.050 138 Q HA -0.233 4.106 4.340 -0.001 0.000 0.202 138 Q C 2.160 178.224 176.000 0.107 0.000 0.980 138 Q CA 1.562 57.424 55.803 0.098 0.000 0.840 138 Q CB -0.078 28.707 28.738 0.078 0.000 0.898 138 Q HN 0.480 nan 8.270 nan 0.000 0.424 139 E N -0.215 120.070 120.200 0.141 0.000 2.085 139 E HA -0.188 4.162 4.350 -0.001 0.000 0.194 139 E C 2.016 178.748 176.600 0.220 0.000 0.994 139 E CA 0.953 57.464 56.400 0.184 0.000 0.801 139 E CB -0.223 29.617 29.700 0.235 0.000 0.743 139 E HN 0.485 nan 8.360 nan 0.000 0.453 140 G N 1.178 110.113 108.800 0.225 0.000 2.421 140 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.216 140 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.216 140 G C 1.299 176.252 174.900 0.088 0.000 1.171 140 G CA 0.798 45.951 45.100 0.088 0.000 0.775 140 G HN 0.232 nan 8.290 nan 0.000 0.543 141 E N 0.173 120.431 120.200 0.098 0.000 2.049 141 E HA -0.209 4.141 4.350 -0.001 0.000 0.198 141 E C 2.652 179.263 176.600 0.018 0.000 1.007 141 E CA 1.284 57.730 56.400 0.078 0.000 0.809 141 E CB -0.186 29.565 29.700 0.084 0.000 0.749 141 E HN 0.507 nan 8.360 nan 0.000 0.450 142 Q N -0.481 119.320 119.800 0.003 0.000 2.297 142 Q HA -0.151 4.189 4.340 -0.001 0.000 0.208 142 Q C 1.807 177.739 176.000 -0.113 0.000 0.981 142 Q CA 1.262 57.047 55.803 -0.030 0.000 0.876 142 Q CB 0.022 28.755 28.738 -0.009 0.000 0.921 142 Q HN 0.241 nan 8.270 nan 0.000 0.446 143 A N -1.085 121.584 122.820 -0.252 0.000 2.014 143 A HA 0.084 4.404 4.320 -0.001 0.000 0.210 143 A C 1.139 178.316 177.584 -0.679 0.000 1.188 143 A CA 0.341 52.036 52.037 -0.570 0.000 0.731 143 A CB 0.206 18.654 19.000 -0.920 0.000 0.858 143 A HN 0.290 nan 8.150 nan 0.000 0.464 144 F N -1.352 118.574 119.950 -0.040 0.000 2.752 144 F HA 0.403 4.929 4.527 -0.001 0.000 0.310 144 F C 1.725 177.501 175.800 -0.040 0.000 1.097 144 F CA 0.126 58.089 58.000 -0.061 0.000 1.238 144 F CB 0.230 39.159 39.000 -0.119 0.000 1.061 144 F HN 0.304 nan 8.300 nan 0.000 0.591 145 G N 1.978 110.833 108.800 0.092 0.000 2.137 145 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.237 145 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.237 145 G C 0.178 175.118 174.900 0.067 0.000 1.002 145 G CA 0.352 45.488 45.100 0.059 0.000 0.702 145 G HN 0.495 nan 8.290 nan 0.000 0.515 146 I N -3.373 117.248 120.570 0.084 0.000 2.982 146 I HA 0.867 5.037 4.170 -0.001 0.000 0.312 146 I C -0.056 176.123 176.117 0.104 0.000 1.041 146 I CA -1.672 59.674 61.300 0.077 0.000 1.053 146 I CB 1.885 39.913 38.000 0.047 0.000 1.248 146 I HN -0.002 nan 8.210 nan 0.000 0.471 147 K N 2.726 123.215 120.400 0.149 0.000 2.185 147 K HA 0.669 4.989 4.320 -0.001 0.000 0.269 147 K C -1.680 175.041 176.600 0.202 0.000 0.987 147 K CA -0.547 55.871 56.287 0.218 0.000 0.865 147 K CB 1.620 34.301 32.500 0.303 0.000 1.090 147 K HN 0.620 nan 8.250 nan 0.000 0.450 148 V N 5.214 125.224 119.914 0.160 0.000 2.577 148 V HA 0.516 4.635 4.120 -0.001 0.000 0.303 148 V C -0.565 175.601 176.094 0.119 0.000 1.042 148 V CA -0.993 61.355 62.300 0.079 0.000 0.872 148 V CB 1.682 33.584 31.823 0.131 0.000 0.998 148 V HN 0.799 nan 8.190 nan 0.000 0.423 149 R N 1.976 122.511 120.500 0.059 0.000 2.919 149 R HA 0.806 5.146 4.340 -0.001 0.000 0.260 149 R C -0.366 175.983 176.300 0.081 0.000 1.067 149 R CA -0.659 55.515 56.100 0.124 0.000 1.003 149 R CB 2.225 32.666 30.300 0.236 0.000 1.192 149 R HN 0.835 nan 8.270 nan 0.000 0.488 150 S N -0.054 115.708 115.700 0.103 0.000 2.607 150 S HA 0.757 5.227 4.470 -0.001 0.000 0.303 150 S C -0.019 174.616 174.600 0.058 0.000 1.086 150 S CA -0.795 57.458 58.200 0.089 0.000 0.995 150 S CB 1.559 64.852 63.200 0.154 0.000 1.084 150 S HN 0.448 nan 8.310 nan 0.000 0.507 151 I N 1.157 121.724 120.570 -0.005 0.000 2.582 151 I HA 0.353 4.523 4.170 -0.001 0.000 0.292 151 I C -1.106 174.893 176.117 -0.198 0.000 1.066 151 I CA -0.837 60.437 61.300 -0.043 0.000 1.053 151 I CB 1.939 39.946 38.000 0.012 0.000 1.241 151 I HN 0.480 nan 8.210 nan 0.000 0.421 152 L N 4.994 126.095 121.223 -0.204 0.000 2.275 152 L HA 0.438 4.778 4.340 -0.001 0.000 0.288 152 L C -0.747 176.037 176.870 -0.143 0.000 1.046 152 L CA -0.593 54.065 54.840 -0.304 0.000 0.805 152 L CB 1.388 43.315 42.059 -0.221 0.000 1.193 152 L HN 0.602 nan 8.230 nan 0.000 0.426 153 C N 2.369 121.597 119.300 -0.120 0.000 2.285 153 C HA 0.329 4.788 4.460 -0.001 0.000 0.335 153 C C 0.817 175.867 174.990 0.100 0.000 1.267 153 C CA -1.023 58.013 59.018 0.029 0.000 1.762 153 C CB -0.000 27.785 27.740 0.076 0.000 2.365 153 C HN 0.808 nan 8.230 nan 0.000 0.527 154 C N 5.259 124.637 119.300 0.130 0.000 2.676 154 C HA 0.361 4.821 4.460 -0.001 0.000 0.416 154 C C 0.461 175.524 174.990 0.122 0.000 1.299 154 C CA -0.270 58.848 59.018 0.167 0.000 2.048 154 C CB -0.297 27.563 27.740 0.200 0.000 2.713 154 C HN 0.728 nan 8.230 nan 0.000 0.624 155 M N 2.718 122.400 119.600 0.137 0.000 2.227 155 M HA 0.326 4.806 4.480 -0.001 0.000 0.335 155 M C 1.169 177.506 176.300 0.061 0.000 1.053 155 M CA -0.253 55.102 55.300 0.092 0.000 0.973 155 M CB 1.193 33.860 32.600 0.113 0.000 1.623 155 M HN 0.730 nan 8.290 nan 0.000 0.434 156 R N 1.336 121.871 120.500 0.058 0.000 2.096 156 R HA -0.185 4.155 4.340 -0.001 0.000 0.240 156 R C 1.724 178.225 176.300 0.335 0.000 1.139 156 R CA 1.970 58.137 56.100 0.111 0.000 0.952 156 R CB -0.444 29.891 30.300 0.059 0.000 0.854 156 R HN 0.746 nan 8.270 nan 0.000 0.436 157 H N -0.481 118.651 119.070 0.103 0.000 2.546 157 H HA -0.006 4.549 4.556 -0.001 0.000 0.277 157 H C 0.322 175.578 175.328 -0.119 0.000 1.004 157 H CA 0.665 56.736 56.048 0.037 0.000 1.231 157 H CB 0.113 29.839 29.762 -0.059 0.000 1.382 157 H HN 0.065 nan 8.280 nan 0.000 0.580 158 Q N 1.648 121.049 119.800 -0.665 0.000 2.831 158 Q HA 0.244 4.583 4.340 -0.001 0.000 0.366 158 Q C -2.001 173.704 176.000 -0.491 0.000 0.899 158 Q CA -2.109 53.166 55.803 -0.880 0.000 0.987 158 Q CB 1.185 28.942 28.738 -1.633 0.000 1.382 158 Q HN 0.209 nan 8.270 nan 0.000 0.403 159 P HA -0.136 nan 4.420 nan 0.000 0.228 159 P C 0.694 177.802 177.300 -0.319 0.000 1.151 159 P CA 0.945 63.740 63.100 -0.508 0.000 0.770 159 P CB 0.301 31.581 31.700 -0.699 0.000 0.786 160 S N -2.898 112.587 115.700 -0.357 0.000 2.515 160 S HA -0.061 4.409 4.470 -0.001 0.000 0.231 160 S C 1.378 175.961 174.600 -0.029 0.000 0.987 160 S CA 0.057 58.126 58.200 -0.219 0.000 0.936 160 S CB -0.968 62.076 63.200 -0.260 0.000 0.766 160 S HN 0.106 nan 8.310 nan 0.000 0.528 161 W N 2.056 123.218 121.300 -0.230 0.000 3.197 161 W HA 0.476 5.136 4.660 -0.001 0.000 0.274 161 W C 2.099 178.525 176.519 -0.155 0.000 1.297 161 W CA -1.026 56.120 57.345 -0.332 0.000 1.662 161 W CB -1.129 27.861 29.460 -0.784 0.000 1.106 161 W HN 0.306 nan 8.180 nan 0.000 0.663 162 S N 1.015 116.802 115.700 0.145 0.000 2.368 162 S HA -0.133 4.337 4.470 -0.001 0.000 0.225 162 S C 1.977 176.650 174.600 0.121 0.000 1.030 162 S CA 1.029 59.332 58.200 0.173 0.000 0.999 162 S CB -0.535 62.820 63.200 0.259 0.000 0.844 162 S HN 0.161 nan 8.310 nan 0.000 0.459 163 L N 1.210 122.486 121.223 0.087 0.000 2.083 163 L HA -0.130 4.210 4.340 -0.001 0.000 0.209 163 L C 2.692 179.604 176.870 0.069 0.000 1.083 163 L CA 1.333 56.209 54.840 0.061 0.000 0.752 163 L CB -0.529 41.555 42.059 0.042 0.000 0.899 163 L HN 0.397 nan 8.230 nan 0.000 0.433 164 E N 0.246 120.512 120.200 0.110 0.000 2.077 164 E HA -0.188 4.161 4.350 -0.001 0.000 0.193 164 E C 2.250 178.928 176.600 0.129 0.000 0.989 164 E CA 1.250 57.726 56.400 0.127 0.000 0.800 164 E CB 0.155 29.976 29.700 0.202 0.000 0.746 164 E HN 0.248 nan 8.360 nan 0.000 0.452 165 V N 1.345 121.362 119.914 0.172 0.000 2.392 165 V HA -0.257 3.862 4.120 -0.001 0.000 0.249 165 V C 2.397 178.511 176.094 0.034 0.000 1.059 165 V CA 1.524 63.897 62.300 0.121 0.000 1.051 165 V CB -0.462 31.439 31.823 0.129 0.000 0.658 165 V HN 0.346 nan 8.190 nan 0.000 0.455 166 L N 0.046 121.278 121.223 0.015 0.000 2.056 166 L HA -0.098 4.242 4.340 -0.001 0.000 0.207 166 L C 2.461 179.319 176.870 -0.020 0.000 1.078 166 L CA 1.885 56.704 54.840 -0.035 0.000 0.749 166 L CB -0.717 41.313 42.059 -0.048 0.000 0.901 166 L HN 0.214 nan 8.230 nan 0.000 0.433 167 E N -0.000 120.201 120.200 0.002 0.000 2.118 167 E HA -0.203 4.147 4.350 -0.001 0.000 0.195 167 E C 2.273 178.875 176.600 0.003 0.000 0.992 167 E CA 1.638 58.035 56.400 -0.005 0.000 0.804 167 E CB -0.520 29.181 29.700 0.002 0.000 0.741 167 E HN 0.544 nan 8.360 nan 0.000 0.458 168 L N -0.206 121.040 121.223 0.037 0.000 2.141 168 L HA -0.158 4.182 4.340 -0.001 0.000 0.209 168 L C 2.517 179.460 176.870 0.122 0.000 1.094 168 L CA 0.757 55.660 54.840 0.107 0.000 0.763 168 L CB -0.340 41.785 42.059 0.110 0.000 0.908 168 L HN 0.141 nan 8.230 nan 0.000 0.437 169 C N -0.363 118.961 119.300 0.040 0.000 2.432 169 C HA -0.092 4.367 4.460 -0.001 0.000 0.280 169 C C 2.753 177.752 174.990 0.014 0.000 1.353 169 C CA 0.456 59.488 59.018 0.023 0.000 1.766 169 C CB -0.674 27.040 27.740 -0.042 0.000 1.924 169 C HN 0.423 nan 8.230 nan 0.000 0.509 170 K N 1.140 121.532 120.400 -0.014 0.000 2.044 170 K HA -0.115 4.205 4.320 -0.001 0.000 0.204 170 K C 2.214 178.781 176.600 -0.055 0.000 1.049 170 K CA 0.981 57.245 56.287 -0.038 0.000 0.945 170 K CB -0.193 32.277 32.500 -0.049 0.000 0.724 170 K HN 0.418 nan 8.250 nan 0.000 0.440 171 K N 0.238 120.580 120.400 -0.097 0.000 2.057 171 K HA -0.145 4.175 4.320 -0.001 0.000 0.207 171 K C 0.677 177.093 176.600 -0.306 0.000 1.049 171 K CA 1.427 57.567 56.287 -0.246 0.000 0.931 171 K CB 0.062 32.335 32.500 -0.378 0.000 0.714 171 K HN 0.112 nan 8.250 nan 0.000 0.440 172 Y N 1.168 121.466 120.300 -0.004 0.000 2.683 172 Y HA 0.206 4.756 4.550 -0.001 0.000 0.297 172 Y C -0.076 175.834 175.900 0.017 0.000 1.147 172 Y CA -0.912 57.194 58.100 0.011 0.000 1.274 172 Y CB -0.152 38.319 38.460 0.018 0.000 1.143 172 Y HN 0.036 nan 8.280 nan 0.000 0.527 173 N N 2.126 120.886 118.700 0.099 0.000 2.374 173 N HA -0.106 4.634 4.740 -0.001 0.000 0.269 173 N C 0.537 176.102 175.510 0.092 0.000 1.310 173 N CA 1.063 54.158 53.050 0.074 0.000 0.877 173 N CB 0.382 38.884 38.487 0.025 0.000 1.096 173 N HN 0.392 nan 8.380 nan 0.000 0.484 174 Q N 0.810 120.675 119.800 0.110 0.000 2.282 174 Q HA -0.203 4.137 4.340 -0.001 0.000 0.182 174 Q C -0.732 175.340 176.000 0.120 0.000 0.609 174 Q CA 1.305 57.177 55.803 0.114 0.000 1.397 174 Q CB -0.924 27.869 28.738 0.092 0.000 1.458 174 Q HN 0.718 nan 8.270 nan 0.000 0.852 175 K N 0.374 120.857 120.400 0.139 0.000 3.206 175 K HA 0.338 4.658 4.320 -0.001 0.000 0.180 175 K C 0.597 177.299 176.600 0.169 0.000 1.088 175 K CA 0.481 56.858 56.287 0.149 0.000 0.872 175 K CB 0.626 33.217 32.500 0.152 0.000 0.976 175 K HN 0.255 nan 8.250 nan 0.000 0.564 176 T N -3.587 111.037 114.554 0.116 0.000 3.231 176 T HA 0.166 4.516 4.350 -0.001 0.000 0.292 176 T C 0.441 175.214 174.700 0.122 0.000 1.001 176 T CA -0.247 61.922 62.100 0.117 0.000 0.920 176 T CB 0.056 68.985 68.868 0.102 0.000 1.140 176 T HN -0.109 nan 8.240 nan 0.000 0.525 177 V N 3.350 123.337 119.914 0.122 0.000 2.455 177 V HA 0.250 4.369 4.120 -0.001 0.000 0.273 177 V C 1.557 177.714 176.094 0.106 0.000 1.045 177 V CA -0.197 62.162 62.300 0.098 0.000 0.976 177 V CB 0.915 32.789 31.823 0.085 0.000 0.993 177 V HN 0.507 nan 8.190 nan 0.000 0.475 178 V N 1.736 121.722 119.914 0.121 0.000 3.643 178 V HA 0.813 4.933 4.120 -0.001 0.000 0.280 178 V C 0.540 176.674 176.094 0.068 0.000 1.351 178 V CA 0.690 63.085 62.300 0.157 0.000 1.073 178 V CB -0.071 31.907 31.823 0.258 0.000 0.863 178 V HN 0.988 nan 8.190 nan 0.000 0.436 179 A N 0.216 123.029 122.820 -0.012 0.000 2.566 179 A HA 0.774 5.094 4.320 -0.001 0.000 0.290 179 A C -1.198 176.314 177.584 -0.120 0.000 1.071 179 A CA -0.379 51.554 52.037 -0.172 0.000 0.658 179 A CB 1.509 20.232 19.000 -0.462 0.000 1.285 179 A HN 0.377 nan 8.150 nan 0.000 0.427 180 M N 1.056 120.554 119.600 -0.170 0.000 2.436 180 M HA 0.609 5.088 4.480 -0.001 0.000 0.331 180 M C -1.234 175.061 176.300 -0.009 0.000 1.135 180 M CA -0.327 54.892 55.300 -0.133 0.000 0.987 180 M CB 1.573 34.006 32.600 -0.278 0.000 1.687 180 M HN 0.860 nan 8.290 nan 0.000 0.445 181 D N 2.769 123.219 120.400 0.083 0.000 2.414 181 D HA 0.635 5.275 4.640 -0.001 0.000 0.241 181 D C -1.981 174.494 176.300 0.292 0.000 1.008 181 D CA -0.425 53.709 54.000 0.222 0.000 1.001 181 D CB 1.831 42.734 40.800 0.173 0.000 1.277 181 D HN 0.530 nan 8.370 nan 0.000 0.538 182 L N 1.618 123.028 121.223 0.312 0.000 2.404 182 L HA 0.833 5.173 4.340 -0.001 0.000 0.272 182 L C -1.270 175.689 176.870 0.148 0.000 0.980 182 L CA -0.262 54.675 54.840 0.160 0.000 0.836 182 L CB 0.848 42.909 42.059 0.003 0.000 1.238 182 L HN 0.520 nan 8.230 nan 0.000 0.408 183 A N 2.921 125.745 122.820 0.008 0.000 2.443 183 A HA 1.055 5.375 4.320 -0.001 0.000 0.278 183 A C 0.325 177.836 177.584 -0.122 0.000 1.252 183 A CA -0.174 51.709 52.037 -0.256 0.000 0.816 183 A CB 0.766 19.642 19.000 -0.206 0.000 1.369 183 A HN 1.926 nan 8.150 nan 0.000 0.446 184 G N -0.630 108.090 108.800 -0.134 0.000 2.472 184 G HA2 0.067 4.027 3.960 -0.001 0.000 0.205 184 G HA3 0.067 4.027 3.960 -0.001 0.000 0.205 184 G C -0.781 174.125 174.900 0.011 0.000 1.270 184 G CA 0.114 45.209 45.100 -0.008 0.000 0.974 184 G HN 1.095 nan 8.290 nan 0.000 0.542 185 D N 0.916 121.336 120.400 0.033 0.000 2.383 185 D HA 0.246 4.885 4.640 -0.001 0.000 0.245 185 D C 1.447 177.762 176.300 0.025 0.000 1.263 185 D CA 0.301 54.320 54.000 0.032 0.000 0.936 185 D CB 0.754 41.562 40.800 0.013 0.000 1.053 185 D HN 0.540 nan 8.370 nan 0.000 0.507 186 E N 1.613 121.827 120.200 0.023 0.000 2.265 186 E HA -0.164 4.185 4.350 -0.001 0.000 0.196 186 E C 0.873 177.461 176.600 -0.020 0.000 0.996 186 E CA 0.975 57.378 56.400 0.006 0.000 0.832 186 E CB 0.338 30.053 29.700 0.026 0.000 0.756 186 E HN 0.493 nan 8.360 nan 0.000 0.491 187 T N -1.429 113.117 114.554 -0.013 0.000 3.235 187 T HA 0.238 4.588 4.350 -0.001 0.000 0.251 187 T C 0.800 175.490 174.700 -0.017 0.000 1.060 187 T CA -0.345 61.740 62.100 -0.025 0.000 0.949 187 T CB -0.309 68.546 68.868 -0.022 0.000 1.020 187 T HN 0.018 nan 8.240 nan 0.000 0.564 188 I N 3.600 124.166 120.570 -0.008 0.000 2.460 188 I HA 0.038 4.207 4.170 -0.001 0.000 0.297 188 I C 0.958 177.050 176.117 -0.042 0.000 1.139 188 I CA -0.257 61.053 61.300 0.017 0.000 1.340 188 I CB 0.029 38.079 38.000 0.084 0.000 1.444 188 I HN 0.482 nan 8.210 nan 0.000 0.557 189 E N 6.984 127.173 120.200 -0.019 0.000 2.765 189 E HA -0.111 4.239 4.350 -0.001 0.000 0.256 189 E C 1.133 177.667 176.600 -0.110 0.000 0.935 189 E CA 0.682 57.055 56.400 -0.046 0.000 0.954 189 E CB 0.293 29.989 29.700 -0.007 0.000 0.908 189 E HN 0.918 nan 8.360 nan 0.000 0.500 190 G N 3.374 112.080 108.800 -0.158 0.000 2.179 190 G HA2 -0.389 3.571 3.960 -0.001 0.000 0.257 190 G HA3 -0.389 3.571 3.960 -0.001 0.000 0.257 190 G C 0.773 175.350 174.900 -0.538 0.000 1.010 190 G CA 0.888 45.857 45.100 -0.218 0.000 0.736 190 G HN 0.914 nan 8.290 nan 0.000 0.513 191 S N -0.911 114.366 115.700 -0.704 0.000 2.461 191 S HA 0.082 4.552 4.470 -0.001 0.000 0.228 191 S C 2.236 176.442 174.600 -0.656 0.000 1.005 191 S CA 1.535 58.926 58.200 -1.347 0.000 0.942 191 S CB -0.125 62.642 63.200 -0.722 0.000 0.776 191 S HN 0.605 nan 8.310 nan 0.000 0.514 192 S N 1.783 117.281 115.700 -0.337 0.000 2.469 192 S HA 0.165 4.635 4.470 -0.001 0.000 0.238 192 S C 1.350 175.895 174.600 -0.092 0.000 0.998 192 S CA 0.996 59.094 58.200 -0.170 0.000 0.957 192 S CB -0.400 62.715 63.200 -0.142 0.000 0.764 192 S HN 0.557 nan 8.310 nan 0.000 0.514 193 L N -0.079 121.055 121.223 -0.148 0.000 2.693 193 L HA 0.311 4.651 4.340 -0.001 0.000 0.235 193 L C -0.455 176.475 176.870 0.100 0.000 1.127 193 L CA -0.374 54.450 54.840 -0.026 0.000 0.914 193 L CB -0.091 41.948 42.059 -0.034 0.000 1.193 193 L HN 0.142 nan 8.230 nan 0.000 0.502 194 F N 2.070 122.038 119.950 0.030 0.000 2.612 194 F HA 0.065 4.592 4.527 -0.001 0.000 0.389 194 F C -0.994 174.755 175.800 -0.085 0.000 1.055 194 F CA -2.382 55.582 58.000 -0.060 0.000 1.232 194 F CB -0.221 38.683 39.000 -0.160 0.000 1.044 194 F HN -0.149 nan 8.300 nan 0.000 0.560 195 P HA -0.180 nan 4.420 nan 0.000 0.217 195 P C 1.725 179.034 177.300 0.015 0.000 1.151 195 P CA 2.115 65.240 63.100 0.041 0.000 0.849 195 P CB 0.106 31.807 31.700 0.002 0.000 0.787 196 G N -1.141 107.618 108.800 -0.069 0.000 2.421 196 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.216 196 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.216 196 G C 1.165 176.080 174.900 0.024 0.000 1.171 196 G CA 1.000 46.049 45.100 -0.084 0.000 0.775 196 G HN 0.363 nan 8.290 nan 0.000 0.543 197 H N -0.510 118.649 119.070 0.150 0.000 2.326 197 H HA -0.002 4.553 4.556 -0.001 0.000 0.301 197 H C 2.778 178.232 175.328 0.211 0.000 1.081 197 H CA 0.765 56.931 56.048 0.197 0.000 1.334 197 H CB -0.076 29.770 29.762 0.141 0.000 1.385 197 H HN 0.180 nan 8.280 nan 0.000 0.504 198 V N 1.225 121.281 119.914 0.237 0.000 2.252 198 V HA -0.288 3.831 4.120 -0.001 0.000 0.249 198 V C 2.104 178.297 176.094 0.165 0.000 1.056 198 V CA 2.154 64.554 62.300 0.167 0.000 1.022 198 V CB -0.448 31.436 31.823 0.101 0.000 0.641 198 V HN 0.441 nan 8.190 nan 0.000 0.445 199 E N -0.151 120.121 120.200 0.120 0.000 2.085 199 E HA -0.210 4.140 4.350 -0.001 0.000 0.194 199 E C 2.278 178.935 176.600 0.094 0.000 0.994 199 E CA 1.445 57.896 56.400 0.085 0.000 0.801 199 E CB -0.404 29.326 29.700 0.050 0.000 0.743 199 E HN 0.615 nan 8.360 nan 0.000 0.453 200 A N 0.207 123.104 122.820 0.129 0.000 1.877 200 A HA -0.197 4.123 4.320 -0.001 0.000 0.216 200 A C 1.873 179.467 177.584 0.017 0.000 1.186 200 A CA 1.329 53.411 52.037 0.076 0.000 0.620 200 A CB -0.856 18.207 19.000 0.105 0.000 0.822 200 A HN 0.286 nan 8.150 nan 0.000 0.443 201 Y N 0.250 120.582 120.300 0.053 0.000 2.224 201 Y HA -0.188 4.362 4.550 -0.001 0.000 0.289 201 Y C 2.479 178.388 175.900 0.016 0.000 1.146 201 Y CA 1.848 59.967 58.100 0.032 0.000 1.182 201 Y CB -0.332 38.154 38.460 0.043 0.000 0.983 201 Y HN 0.445 nan 8.280 nan 0.000 0.524 202 E N -0.895 119.391 120.200 0.143 0.000 2.110 202 E HA -0.175 4.175 4.350 -0.001 0.000 0.193 202 E C 2.480 179.093 176.600 0.023 0.000 0.988 202 E CA 0.934 57.377 56.400 0.072 0.000 0.804 202 E CB -0.447 29.290 29.700 0.063 0.000 0.745 202 E HN 0.561 nan 8.360 nan 0.000 0.458 203 G N 0.789 109.593 108.800 0.006 0.000 2.421 203 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.217 203 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.217 203 G C 1.624 176.490 174.900 -0.058 0.000 1.143 203 G CA 0.670 45.756 45.100 -0.023 0.000 0.784 203 G HN 0.330 nan 8.290 nan 0.000 0.541 204 A N 0.249 123.013 122.820 -0.094 0.000 1.898 204 A HA 0.125 4.444 4.320 -0.001 0.000 0.216 204 A C 2.572 180.091 177.584 -0.108 0.000 1.181 204 A CA 1.618 53.567 52.037 -0.145 0.000 0.620 204 A CB -0.581 18.257 19.000 -0.270 0.000 0.819 204 A HN 0.214 nan 8.150 nan 0.000 0.442 205 V N 0.222 120.104 119.914 -0.054 0.000 2.343 205 V HA -0.267 3.853 4.120 -0.001 0.000 0.247 205 V C 2.406 178.473 176.094 -0.045 0.000 1.051 205 V CA 2.347 64.626 62.300 -0.035 0.000 1.036 205 V CB -0.615 31.213 31.823 0.009 0.000 0.654 205 V HN 0.533 nan 8.190 nan 0.000 0.451 206 K N 0.001 120.380 120.400 -0.036 0.000 2.283 206 K HA -0.058 4.262 4.320 -0.001 0.000 0.202 206 K C 1.315 177.886 176.600 -0.048 0.000 1.048 206 K CA 0.958 57.224 56.287 -0.034 0.000 0.948 206 K CB -0.086 32.400 32.500 -0.022 0.000 0.742 206 K HN 0.470 nan 8.250 nan 0.000 0.458 207 N N -0.313 118.347 118.700 -0.067 0.000 2.187 207 N HA 0.031 4.770 4.740 -0.001 0.000 0.212 207 N C 0.217 175.662 175.510 -0.107 0.000 1.152 207 N CA 0.510 53.514 53.050 -0.076 0.000 0.872 207 N CB 1.545 39.989 38.487 -0.071 0.000 1.025 207 N HN 0.219 nan 8.380 nan 0.000 0.514 208 G N 1.685 110.406 108.800 -0.133 0.000 2.273 208 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.280 208 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.280 208 G C -0.083 174.636 174.900 -0.301 0.000 1.047 208 G CA -0.145 44.831 45.100 -0.206 0.000 0.869 208 G HN 0.222 nan 8.290 nan 0.000 0.502 209 I N 1.114 121.530 120.570 -0.257 0.000 2.325 209 I HA 0.253 4.422 4.170 -0.001 0.000 0.291 209 I C 1.188 177.096 176.117 -0.347 0.000 1.019 209 I CA -0.992 60.147 61.300 -0.268 0.000 1.302 209 I CB 0.175 38.061 38.000 -0.191 0.000 1.401 209 I HN 0.179 nan 8.210 nan 0.000 0.485 210 H N 6.326 125.196 119.070 -0.333 0.000 2.822 210 H HA 0.276 4.831 4.556 -0.001 0.000 0.373 210 H C -0.073 174.910 175.328 -0.574 0.000 1.223 210 H CA 0.425 56.122 56.048 -0.586 0.000 1.436 210 H CB 0.682 29.726 29.762 -1.197 0.000 1.439 210 H HN 0.406 nan 8.280 nan 0.000 0.618 211 R N 0.645 120.943 120.500 -0.336 0.000 2.574 211 R HA 0.407 4.747 4.340 -0.001 0.000 0.288 211 R C -1.066 175.336 176.300 0.170 0.000 1.004 211 R CA -0.689 55.392 56.100 -0.033 0.000 0.895 211 R CB 2.311 32.709 30.300 0.163 0.000 1.191 211 R HN 0.546 nan 8.270 nan 0.000 0.444 212 T N 1.088 115.807 114.554 0.275 0.000 2.896 212 T HA 0.664 5.013 4.350 -0.001 0.000 0.297 212 T C -1.482 173.395 174.700 0.296 0.000 1.108 212 T CA -0.569 61.725 62.100 0.324 0.000 1.004 212 T CB 1.626 70.717 68.868 0.371 0.000 1.159 212 T HN 0.207 nan 8.240 nan 0.000 0.499 213 V N 3.741 123.783 119.914 0.214 0.000 2.612 213 V HA 0.347 4.467 4.120 -0.001 0.000 0.301 213 V C -0.932 175.294 176.094 0.219 0.000 1.059 213 V CA -0.979 61.427 62.300 0.176 0.000 0.886 213 V CB 1.539 33.368 31.823 0.011 0.000 1.007 213 V HN 1.003 nan 8.190 nan 0.000 0.426 214 H N 3.082 122.273 119.070 0.202 0.000 3.091 214 H HA 0.575 5.131 4.556 -0.001 0.000 0.289 214 H C 0.369 175.796 175.328 0.164 0.000 0.995 214 H CA 1.265 57.482 56.048 0.281 0.000 1.461 214 H CB 0.672 30.621 29.762 0.312 0.000 1.510 214 H HN 0.990 nan 8.280 nan 0.000 0.546 215 A N 2.017 124.983 122.820 0.243 0.000 2.540 215 A HA 0.544 4.863 4.320 -0.001 0.000 0.297 215 A C 0.801 178.465 177.584 0.133 0.000 1.056 215 A CA -0.227 51.900 52.037 0.149 0.000 0.700 215 A CB 0.854 19.915 19.000 0.101 0.000 1.280 215 A HN 1.022 nan 8.150 nan 0.000 0.398 216 G N 1.065 109.923 108.800 0.097 0.000 2.141 216 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.242 216 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.242 216 G C 0.729 175.732 174.900 0.171 0.000 0.982 216 G CA 1.108 46.280 45.100 0.120 0.000 0.662 216 G HN 1.134 nan 8.290 nan 0.000 0.527 217 E N -0.237 120.013 120.200 0.082 0.000 2.028 217 E HA 0.036 4.386 4.350 -0.001 0.000 0.190 217 E C 2.451 179.169 176.600 0.197 0.000 0.984 217 E CA 2.352 58.784 56.400 0.052 0.000 0.800 217 E CB -0.047 29.486 29.700 -0.279 0.000 0.758 217 E HN 0.996 nan 8.360 nan 0.000 0.448 218 V N -3.059 116.872 119.914 0.030 0.000 3.548 218 V HA 0.450 4.569 4.120 -0.001 0.000 0.279 218 V C 0.940 176.867 176.094 -0.278 0.000 1.446 218 V CA 0.045 62.296 62.300 -0.081 0.000 1.023 218 V CB 0.203 32.009 31.823 -0.028 0.000 0.820 218 V HN 0.175 nan 8.190 nan 0.000 0.438 219 G N 1.709 110.401 108.800 -0.180 0.000 2.634 219 G HA2 0.435 4.395 3.960 -0.001 0.000 0.255 219 G HA3 0.435 4.395 3.960 -0.001 0.000 0.255 219 G C 0.265 175.014 174.900 -0.252 0.000 1.205 219 G CA 0.526 45.524 45.100 -0.170 0.000 0.884 219 G HN 0.802 nan 8.290 nan 0.000 0.549 220 S N 0.540 116.149 115.700 -0.152 0.000 2.617 220 S HA 0.265 4.734 4.470 -0.001 0.000 0.259 220 S C -1.570 173.027 174.600 -0.005 0.000 1.301 220 S CA -0.764 57.382 58.200 -0.090 0.000 0.984 220 S CB 1.521 64.691 63.200 -0.051 0.000 0.954 220 S HN 0.254 nan 8.310 nan 0.000 0.572 221 P HA -0.063 nan 4.420 nan 0.000 0.220 221 P C 1.365 178.700 177.300 0.057 0.000 1.148 221 P CA 1.149 64.296 63.100 0.078 0.000 0.803 221 P CB -0.018 31.734 31.700 0.087 0.000 0.782 222 E N 0.086 120.303 120.200 0.030 0.000 2.130 222 E HA -0.171 4.179 4.350 -0.001 0.000 0.196 222 E C 1.731 178.336 176.600 0.010 0.000 0.998 222 E CA 1.353 57.764 56.400 0.017 0.000 0.806 222 E CB -1.216 28.484 29.700 0.001 0.000 0.738 222 E HN -0.017 nan 8.360 nan 0.000 0.459 223 V N -0.430 119.486 119.914 0.002 0.000 2.515 223 V HA -0.192 3.927 4.120 -0.001 0.000 0.250 223 V C 2.350 178.455 176.094 0.019 0.000 1.058 223 V CA 1.382 63.678 62.300 -0.007 0.000 1.064 223 V CB -0.223 31.588 31.823 -0.019 0.000 0.675 223 V HN 0.193 nan 8.190 nan 0.000 0.461 224 V N 0.101 120.048 119.914 0.055 0.000 2.343 224 V HA -0.263 3.857 4.120 -0.001 0.000 0.247 224 V C 2.550 178.683 176.094 0.065 0.000 1.051 224 V CA 2.354 64.706 62.300 0.087 0.000 1.036 224 V CB -0.797 31.119 31.823 0.155 0.000 0.654 224 V HN 0.492 nan 8.190 nan 0.000 0.451 225 R N 0.073 120.608 120.500 0.058 0.000 2.091 225 R HA -0.217 4.122 4.340 -0.001 0.000 0.238 225 R C 2.311 178.623 176.300 0.020 0.000 1.136 225 R CA 2.079 58.207 56.100 0.046 0.000 0.959 225 R CB -0.189 30.136 30.300 0.043 0.000 0.856 225 R HN 0.631 nan 8.270 nan 0.000 0.437 226 E N -0.085 120.117 120.200 0.002 0.000 2.051 226 E HA -0.200 4.149 4.350 -0.001 0.000 0.192 226 E C 2.006 178.582 176.600 -0.039 0.000 0.991 226 E CA 1.321 57.708 56.400 -0.022 0.000 0.799 226 E CB -0.193 29.482 29.700 -0.041 0.000 0.748 226 E HN 0.468 nan 8.360 nan 0.000 0.449 227 A N 0.799 123.594 122.820 -0.042 0.000 1.903 227 A HA -0.230 4.089 4.320 -0.001 0.000 0.219 227 A C 2.496 180.059 177.584 -0.034 0.000 1.191 227 A CA 1.851 53.849 52.037 -0.064 0.000 0.638 227 A CB -0.850 18.137 19.000 -0.022 0.000 0.823 227 A HN 0.149 nan 8.150 nan 0.000 0.451 228 V N 0.095 120.010 119.914 0.002 0.000 2.283 228 V HA -0.148 3.972 4.120 -0.001 0.000 0.243 228 V C 1.891 177.995 176.094 0.017 0.000 1.039 228 V CA 2.177 64.486 62.300 0.015 0.000 1.016 228 V CB -0.673 31.165 31.823 0.026 0.000 0.650 228 V HN 0.505 nan 8.190 nan 0.000 0.449 229 D N -0.761 119.648 120.400 0.015 0.000 2.333 229 D HA 0.071 4.711 4.640 -0.001 0.000 0.208 229 D C 1.761 178.070 176.300 0.014 0.000 0.984 229 D CA 0.619 54.630 54.000 0.018 0.000 0.873 229 D CB 0.436 41.248 40.800 0.019 0.000 0.935 229 D HN 0.315 nan 8.370 nan 0.000 0.521 230 I N -0.216 120.354 120.570 0.001 0.000 3.136 230 I HA 0.049 4.218 4.170 -0.001 0.000 0.262 230 I C 2.122 178.240 176.117 0.001 0.000 1.132 230 I CA 0.372 61.672 61.300 0.000 0.000 1.450 230 I CB -0.755 37.237 38.000 -0.012 0.000 1.315 230 I HN -0.064 nan 8.210 nan 0.000 0.460 231 L N 1.033 122.227 121.223 -0.049 0.000 2.492 231 L HA 0.033 4.373 4.340 -0.001 0.000 0.223 231 L C 0.352 177.258 176.870 0.060 0.000 1.132 231 L CA 0.220 55.007 54.840 -0.088 0.000 0.850 231 L CB -0.153 41.637 42.059 -0.448 0.000 0.966 231 L HN 0.216 nan 8.230 nan 0.000 0.454 232 K N 0.342 120.771 120.400 0.049 0.000 3.125 232 K HA -0.161 4.159 4.320 -0.001 0.000 0.268 232 K C 0.381 177.051 176.600 0.117 0.000 1.078 232 K CA 0.630 56.966 56.287 0.082 0.000 0.775 232 K CB -2.581 29.975 32.500 0.093 0.000 1.253 232 K HN 0.272 nan 8.250 nan 0.000 0.486 233 T N 0.048 114.658 114.554 0.093 0.000 2.926 233 T HA 0.128 4.478 4.350 -0.001 0.000 0.307 233 T C 1.439 176.217 174.700 0.129 0.000 1.059 233 T CA 0.161 62.343 62.100 0.136 0.000 1.122 233 T CB 0.554 69.478 68.868 0.093 0.000 0.972 233 T HN 0.287 nan 8.240 nan 0.000 0.545 234 E N 2.309 122.624 120.200 0.191 0.000 2.364 234 E HA 0.147 4.497 4.350 -0.001 0.000 0.196 234 E C 0.479 177.188 176.600 0.181 0.000 0.990 234 E CA 0.356 56.882 56.400 0.210 0.000 0.886 234 E CB 0.520 30.427 29.700 0.346 0.000 0.866 234 E HN 0.448 nan 8.360 nan 0.000 0.493 235 R N 0.446 121.072 120.500 0.209 0.000 2.771 235 R HA 0.486 4.826 4.340 -0.001 0.000 0.274 235 R C -1.260 175.095 176.300 0.091 0.000 0.987 235 R CA -0.702 55.475 56.100 0.129 0.000 0.908 235 R CB 2.557 32.954 30.300 0.161 0.000 1.213 235 R HN -0.166 nan 8.270 nan 0.000 0.468 236 V N 1.182 121.091 119.914 -0.008 0.000 2.398 236 V HA 0.405 4.524 4.120 -0.001 0.000 0.286 236 V C 0.549 176.698 176.094 0.092 0.000 1.026 236 V CA -0.740 61.584 62.300 0.040 0.000 0.868 236 V CB 1.659 33.488 31.823 0.009 0.000 0.982 236 V HN 0.938 nan 8.190 nan 0.000 0.443 237 G N 3.186 112.044 108.800 0.096 0.000 2.364 237 G HA2 0.457 4.417 3.960 -0.001 0.000 0.267 237 G HA3 0.457 4.417 3.960 -0.001 0.000 0.267 237 G C 0.393 175.254 174.900 -0.065 0.000 1.233 237 G CA 0.433 45.517 45.100 -0.027 0.000 0.885 237 G HN 0.985 nan 8.290 nan 0.000 0.490 238 H N 2.038 120.969 119.070 -0.233 0.000 1.576 238 H HA -0.324 4.232 4.556 -0.001 0.000 0.090 238 H C 2.106 177.106 175.328 -0.547 0.000 0.620 238 H CA 1.922 57.603 56.048 -0.611 0.000 1.887 238 H CB -1.433 27.978 29.762 -0.584 0.000 2.237 238 H HN 2.005 nan 8.280 nan 0.000 0.959 239 G N 0.805 109.504 108.800 -0.167 0.000 2.153 239 G HA2 -0.368 3.592 3.960 -0.001 0.000 0.252 239 G HA3 -0.368 3.592 3.960 -0.001 0.000 0.252 239 G C 0.539 175.422 174.900 -0.028 0.000 0.994 239 G CA 1.333 46.485 45.100 0.087 0.000 0.698 239 G HN 0.551 nan 8.290 nan 0.000 0.521 240 Y N -0.415 119.939 120.300 0.090 0.000 2.207 240 Y HA -0.082 4.467 4.550 -0.000 0.000 0.287 240 Y C 2.488 178.223 175.900 -0.275 0.000 1.156 240 Y CA 1.809 59.775 58.100 -0.224 0.000 1.182 240 Y CB -0.777 37.474 38.460 -0.350 0.000 0.979 240 Y HN 0.548 nan 8.280 nan 0.000 0.521 241 H N -1.135 117.951 119.070 0.026 0.000 2.556 241 H HA 0.002 4.558 4.556 -0.001 0.000 0.268 241 H C 1.830 177.146 175.328 -0.019 0.000 0.996 241 H CA 1.021 57.064 56.048 -0.008 0.000 1.157 241 H CB -0.191 29.581 29.762 0.017 0.000 1.355 241 H HN 0.229 nan 8.280 nan 0.000 0.597 242 T N 1.027 115.630 114.554 0.082 0.000 2.759 242 T HA -0.152 4.198 4.350 -0.001 0.000 0.269 242 T C 2.043 176.724 174.700 -0.033 0.000 1.042 242 T CA 1.426 63.583 62.100 0.095 0.000 1.140 242 T CB -0.228 68.761 68.868 0.201 0.000 0.864 242 T HN 0.619 nan 8.240 nan 0.000 0.455 243 I N -0.251 120.159 120.570 -0.266 0.000 3.241 243 I HA 0.084 4.254 4.170 -0.001 0.000 0.280 243 I C 1.601 177.619 176.117 -0.166 0.000 1.320 243 I CA 1.188 62.224 61.300 -0.439 0.000 1.413 243 I CB -0.485 37.141 38.000 -0.622 0.000 1.060 243 I HN 0.151 nan 8.210 nan 0.000 0.500 244 E N 1.058 121.222 120.200 -0.061 0.000 2.502 244 E HA -0.031 4.318 4.350 -0.001 0.000 0.194 244 E C 0.033 176.653 176.600 0.033 0.000 1.062 244 E CA 0.167 56.566 56.400 -0.002 0.000 0.867 244 E CB 0.162 29.891 29.700 0.049 0.000 0.888 244 E HN 0.432 nan 8.360 nan 0.000 0.510 245 D N 0.364 120.798 120.400 0.057 0.000 2.389 245 D HA 0.025 4.664 4.640 -0.001 0.000 0.256 245 D C 0.510 176.895 176.300 0.142 0.000 1.239 245 D CA -0.132 53.922 54.000 0.089 0.000 0.925 245 D CB 0.900 41.757 40.800 0.096 0.000 1.145 245 D HN -0.197 nan 8.370 nan 0.000 0.542 246 E N 2.245 122.520 120.200 0.125 0.000 2.070 246 E HA -0.176 4.174 4.350 -0.001 0.000 0.197 246 E C 1.748 178.444 176.600 0.161 0.000 1.004 246 E CA 1.319 57.818 56.400 0.165 0.000 0.805 246 E CB -0.212 29.552 29.700 0.107 0.000 0.744 246 E HN 0.629 nan 8.360 nan 0.000 0.451 247 A N 1.101 123.987 122.820 0.110 0.000 1.845 247 A HA -0.175 4.145 4.320 -0.001 0.000 0.215 247 A C 2.292 179.938 177.584 0.103 0.000 1.195 247 A CA 1.614 53.702 52.037 0.086 0.000 0.616 247 A CB -0.853 18.185 19.000 0.063 0.000 0.832 247 A HN 0.264 nan 8.150 nan 0.000 0.443 248 L N -1.485 119.814 121.223 0.126 0.000 1.971 248 L HA -0.206 4.134 4.340 -0.001 0.000 0.215 248 L C 2.317 179.313 176.870 0.210 0.000 1.072 248 L CA 2.644 57.572 54.840 0.146 0.000 0.758 248 L CB -1.168 40.980 42.059 0.149 0.000 0.889 248 L HN 0.532 nan 8.230 nan 0.000 0.433 249 Y N 0.957 121.321 120.300 0.106 0.000 2.040 249 Y HA -0.368 4.182 4.550 -0.001 0.000 0.275 249 Y C 2.450 178.417 175.900 0.113 0.000 1.171 249 Y CA 2.406 60.581 58.100 0.126 0.000 1.123 249 Y CB -0.993 37.525 38.460 0.096 0.000 0.963 249 Y HN 0.474 nan 8.280 nan 0.000 0.493 250 N N -0.556 118.112 118.700 -0.053 0.000 2.166 250 N HA -0.158 4.581 4.740 -0.001 0.000 0.186 250 N C 2.056 177.517 175.510 -0.083 0.000 1.019 250 N CA 1.025 53.978 53.050 -0.163 0.000 0.856 250 N CB -0.232 38.222 38.487 -0.056 0.000 0.993 250 N HN 0.279 nan 8.380 nan 0.000 0.426 251 R N 0.772 121.270 120.500 -0.004 0.000 2.080 251 R HA -0.102 4.238 4.340 -0.001 0.000 0.236 251 R C 1.969 178.273 176.300 0.007 0.000 1.137 251 R CA 1.229 57.336 56.100 0.012 0.000 0.943 251 R CB -0.358 29.967 30.300 0.042 0.000 0.846 251 R HN 0.257 nan 8.270 nan 0.000 0.431 252 L N 0.627 121.877 121.223 0.043 0.000 2.093 252 L HA -0.188 4.152 4.340 -0.001 0.000 0.208 252 L C 2.508 179.386 176.870 0.014 0.000 1.085 252 L CA 0.961 55.835 54.840 0.057 0.000 0.755 252 L CB -0.542 41.629 42.059 0.186 0.000 0.904 252 L HN 0.294 nan 8.230 nan 0.000 0.435 253 L N 0.074 121.262 121.223 -0.057 0.000 2.021 253 L HA -0.287 4.053 4.340 -0.001 0.000 0.215 253 L C 2.727 179.563 176.870 -0.056 0.000 1.074 253 L CA 1.698 56.476 54.840 -0.104 0.000 0.760 253 L CB -0.516 41.380 42.059 -0.271 0.000 0.889 253 L HN 0.305 nan 8.230 nan 0.000 0.433 254 K N -0.235 120.134 120.400 -0.053 0.000 2.155 254 K HA -0.128 4.191 4.320 -0.001 0.000 0.203 254 K C 1.753 178.345 176.600 -0.013 0.000 1.052 254 K CA 1.031 57.300 56.287 -0.029 0.000 0.948 254 K CB -0.020 32.466 32.500 -0.024 0.000 0.728 254 K HN 0.427 nan 8.250 nan 0.000 0.448 255 E N 0.660 120.854 120.200 -0.010 0.000 2.481 255 E HA -0.048 4.302 4.350 -0.001 0.000 0.195 255 E C -0.175 176.421 176.600 -0.006 0.000 1.047 255 E CA -0.126 56.272 56.400 -0.003 0.000 0.867 255 E CB -0.106 29.594 29.700 -0.000 0.000 0.858 255 E HN 0.275 nan 8.360 nan 0.000 0.513 256 N N 1.062 119.755 118.700 -0.012 0.000 2.780 256 N HA -0.173 4.567 4.740 -0.001 0.000 0.247 256 N C -0.465 175.025 175.510 -0.034 0.000 1.076 256 N CA -0.271 52.774 53.050 -0.008 0.000 0.688 256 N CB -0.556 37.936 38.487 0.009 0.000 0.957 256 N HN 0.065 nan 8.380 nan 0.000 0.551 257 M N 1.766 121.310 119.600 -0.093 0.000 2.249 257 M HA 0.081 4.560 4.480 -0.001 0.000 0.340 257 M C 0.044 176.142 176.300 -0.337 0.000 1.166 257 M CA 0.375 55.532 55.300 -0.238 0.000 1.115 257 M CB 0.212 32.578 32.600 -0.389 0.000 1.606 257 M HN 0.262 nan 8.290 nan 0.000 0.448 258 H N 3.725 122.571 119.070 -0.373 0.000 2.517 258 H HA 0.476 5.032 4.556 -0.001 0.000 0.317 258 H C -1.673 173.392 175.328 -0.438 0.000 1.080 258 H CA -0.100 55.777 56.048 -0.285 0.000 1.301 258 H CB 0.376 30.052 29.762 -0.142 0.000 1.425 258 H HN 0.593 nan 8.280 nan 0.000 0.471 259 F N 3.075 122.750 119.950 -0.458 0.000 2.426 259 F HA 0.225 4.752 4.527 -0.000 0.000 0.348 259 F C 0.201 175.899 175.800 -0.170 0.000 1.124 259 F CA -0.773 57.093 58.000 -0.223 0.000 1.008 259 F CB 1.379 40.218 39.000 -0.267 0.000 1.139 259 F HN 0.551 nan 8.300 nan 0.000 0.452 260 E N 3.249 123.550 120.200 0.168 0.000 1.893 260 E HA 0.275 4.625 4.350 -0.001 0.000 0.269 260 E C -0.764 175.863 176.600 0.044 0.000 1.129 260 E CA -0.411 56.090 56.400 0.168 0.000 0.904 260 E CB 0.908 30.713 29.700 0.175 0.000 1.077 260 E HN 0.276 nan 8.360 nan 0.000 0.407 261 V N 2.790 122.828 119.914 0.207 0.000 2.546 261 V HA 0.072 4.192 4.120 -0.001 0.000 0.284 261 V C 0.082 176.278 176.094 0.169 0.000 1.050 261 V CA -0.656 61.810 62.300 0.276 0.000 0.981 261 V CB 1.189 33.226 31.823 0.356 0.000 0.990 261 V HN 0.815 nan 8.190 nan 0.000 0.474 262 C N 6.893 126.339 119.300 0.243 0.000 2.787 262 C HA 0.320 4.779 4.460 -0.001 0.000 0.265 262 C C -1.011 174.021 174.990 0.070 0.000 1.190 262 C CA -0.986 58.134 59.018 0.170 0.000 1.616 262 C CB -0.016 27.854 27.740 0.216 0.000 1.732 262 C HN 0.705 nan 8.230 nan 0.000 0.433 263 P HA -0.207 nan 4.420 nan 0.000 0.214 263 P C 1.803 179.042 177.300 -0.102 0.000 1.169 263 P CA 1.581 64.457 63.100 -0.375 0.000 0.908 263 P CB -0.013 31.411 31.700 -0.461 0.000 0.791 264 W N 0.345 121.544 121.300 -0.169 0.000 2.355 264 W HA -0.188 4.471 4.660 -0.001 0.000 0.309 264 W C 2.503 178.891 176.519 -0.218 0.000 1.206 264 W CA 1.728 59.016 57.345 -0.095 0.000 1.284 264 W CB -0.652 28.790 29.460 -0.029 0.000 1.145 264 W HN -0.008 nan 8.180 nan 0.000 0.502 265 S N 0.849 116.348 115.700 -0.334 0.000 2.372 265 S HA -0.297 4.172 4.470 -0.001 0.000 0.227 265 S C 2.119 176.382 174.600 -0.561 0.000 1.044 265 S CA 3.012 60.697 58.200 -0.858 0.000 1.050 265 S CB -0.956 62.163 63.200 -0.134 0.000 0.901 265 S HN 0.423 nan 8.310 nan 0.000 0.447 266 S N -0.347 115.245 115.700 -0.181 0.000 2.419 266 S HA -0.164 4.306 4.470 -0.001 0.000 0.233 266 S C 1.787 176.373 174.600 -0.022 0.000 1.016 266 S CA 1.257 59.408 58.200 -0.082 0.000 0.974 266 S CB -0.914 62.140 63.200 -0.244 0.000 0.786 266 S HN 0.748 nan 8.310 nan 0.000 0.492 267 Y N 2.292 122.482 120.300 -0.184 0.000 2.184 267 Y HA 0.207 4.756 4.550 -0.001 0.000 0.290 267 Y C 1.891 177.565 175.900 -0.377 0.000 1.129 267 Y CA 1.034 59.040 58.100 -0.156 0.000 1.144 267 Y CB -0.496 37.848 38.460 -0.194 0.000 0.995 267 Y HN 0.238 nan 8.280 nan 0.000 0.513 268 L N -0.268 120.441 121.223 -0.857 0.000 2.240 268 L HA -0.082 4.258 4.340 -0.001 0.000 0.211 268 L C 2.239 178.834 176.870 -0.458 0.000 1.106 268 L CA 1.488 55.843 54.840 -0.808 0.000 0.793 268 L CB -0.823 40.783 42.059 -0.754 0.000 0.927 268 L HN 0.326 nan 8.230 nan 0.000 0.446 269 T N -3.362 110.927 114.554 -0.443 0.000 3.148 269 T HA 0.125 4.474 4.350 -0.001 0.000 0.253 269 T C 1.468 176.061 174.700 -0.178 0.000 1.134 269 T CA 0.456 62.386 62.100 -0.283 0.000 1.051 269 T CB 0.078 68.719 68.868 -0.377 0.000 0.959 269 T HN 0.453 nan 8.240 nan 0.000 0.525 270 G N 0.748 109.416 108.800 -0.219 0.000 2.160 270 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.251 270 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.251 270 G C 0.867 175.730 174.900 -0.061 0.000 1.008 270 G CA 0.046 45.055 45.100 -0.151 0.000 0.724 270 G HN 1.090 nan 8.290 nan 0.000 0.514 271 A N -1.494 121.312 122.820 -0.023 0.000 2.132 271 A HA 0.467 4.786 4.320 -0.001 0.000 0.213 271 A C 0.820 178.484 177.584 0.134 0.000 1.154 271 A CA 1.324 53.415 52.037 0.091 0.000 0.753 271 A CB 0.047 19.113 19.000 0.111 0.000 0.826 271 A HN 1.279 nan 8.150 nan 0.000 0.469 272 W N 0.888 122.087 121.300 -0.169 0.000 2.587 272 W HA 0.542 5.202 4.660 -0.001 0.000 0.324 272 W C -1.384 175.055 176.519 -0.134 0.000 1.040 272 W CA -1.680 55.513 57.345 -0.253 0.000 1.222 272 W CB 1.060 30.294 29.460 -0.377 0.000 1.381 272 W HN 0.063 nan 8.180 nan 0.000 0.483 273 D N 8.501 128.565 120.400 -0.560 0.000 2.352 273 D HA 0.150 4.790 4.640 -0.001 0.000 0.245 273 D C -1.103 174.479 176.300 -1.197 0.000 1.224 273 D CA -2.223 51.406 54.000 -0.619 0.000 0.879 273 D CB 1.773 42.373 40.800 -0.333 0.000 1.057 273 D HN 0.242 nan 8.370 nan 0.000 0.491 274 P HA -0.176 nan 4.420 nan 0.000 0.222 274 P C 0.557 177.422 177.300 -0.725 0.000 1.142 274 P CA 0.992 63.270 63.100 -1.371 0.000 0.788 274 P CB 0.270 31.602 31.700 -0.614 0.000 0.767 275 K N -0.100 120.015 120.400 -0.474 0.000 2.444 275 K HA 0.070 4.389 4.320 -0.001 0.000 0.193 275 K C 1.088 177.586 176.600 -0.170 0.000 1.024 275 K CA 0.448 56.588 56.287 -0.245 0.000 1.077 275 K CB -0.001 32.392 32.500 -0.178 0.000 0.833 275 K HN 0.333 nan 8.250 nan 0.000 0.517 276 T N -2.229 112.206 114.554 -0.198 0.000 2.930 276 T HA 0.244 4.593 4.350 -0.001 0.000 0.290 276 T C 0.121 174.942 174.700 0.202 0.000 1.052 276 T CA -0.771 61.312 62.100 -0.028 0.000 1.017 276 T CB 1.861 70.697 68.868 -0.054 0.000 1.137 276 T HN -0.202 nan 8.240 nan 0.000 0.511 277 T N 2.755 117.396 114.554 0.144 0.000 2.888 277 T HA 0.114 4.463 4.350 -0.001 0.000 0.301 277 T C 0.320 175.109 174.700 0.149 0.000 1.001 277 T CA -0.090 62.098 62.100 0.146 0.000 1.147 277 T CB -0.195 68.685 68.868 0.020 0.000 0.931 277 T HN 0.652 nan 8.240 nan 0.000 0.541 278 H N 2.081 121.086 119.070 -0.108 0.000 2.897 278 H HA 0.139 4.695 4.556 -0.001 0.000 0.347 278 H C 1.349 176.342 175.328 -0.557 0.000 1.068 278 H CA 0.226 55.857 56.048 -0.695 0.000 1.426 278 H CB 0.739 29.763 29.762 -1.230 0.000 1.410 278 H HN 0.774 nan 8.280 nan 0.000 0.597 279 A N 4.909 127.222 122.820 -0.845 0.000 1.940 279 A HA -0.161 4.159 4.320 -0.001 0.000 0.219 279 A C 2.524 179.586 177.584 -0.869 0.000 1.176 279 A CA 1.538 53.108 52.037 -0.778 0.000 0.631 279 A CB -0.787 17.706 19.000 -0.847 0.000 0.814 279 A HN 0.564 nan 8.150 nan 0.000 0.446 280 V N -0.253 119.397 119.914 -0.440 0.000 2.720 280 V HA -0.172 3.947 4.120 -0.001 0.000 0.256 280 V C 2.331 178.274 176.094 -0.252 0.000 1.082 280 V CA 2.060 64.058 62.300 -0.504 0.000 1.101 280 V CB -0.329 31.249 31.823 -0.408 0.000 0.693 280 V HN 0.352 nan 8.190 nan 0.000 0.479 281 V N 0.214 120.023 119.914 -0.176 0.000 2.358 281 V HA -0.217 3.903 4.120 -0.001 0.000 0.246 281 V C 2.548 178.600 176.094 -0.071 0.000 1.047 281 V CA 2.394 64.674 62.300 -0.034 0.000 1.035 281 V CB -0.799 31.006 31.823 -0.030 0.000 0.658 281 V HN 0.587 nan 8.190 nan 0.000 0.452 282 R N -0.249 120.155 120.500 -0.160 0.000 2.081 282 R HA -0.145 4.194 4.340 -0.001 0.000 0.235 282 R C 2.100 178.464 176.300 0.106 0.000 1.131 282 R CA 1.776 57.832 56.100 -0.073 0.000 0.960 282 R CB -0.432 29.762 30.300 -0.178 0.000 0.856 282 R HN 0.372 nan 8.270 nan 0.000 0.436 283 F N 1.330 121.204 119.950 -0.127 0.000 2.095 283 F HA -0.146 4.381 4.527 -0.000 0.000 0.298 283 F C 2.229 178.009 175.800 -0.034 0.000 1.104 283 F CA 1.416 59.338 58.000 -0.129 0.000 1.232 283 F CB -1.047 37.661 39.000 -0.487 0.000 0.987 283 F HN 0.124 nan 8.300 nan 0.000 0.475 284 K N 0.312 120.768 120.400 0.093 0.000 2.026 284 K HA -0.192 4.128 4.320 -0.001 0.000 0.208 284 K C 1.788 178.391 176.600 0.005 0.000 1.048 284 K CA 1.605 57.912 56.287 0.034 0.000 0.929 284 K CB -0.181 32.143 32.500 -0.294 0.000 0.713 284 K HN 0.140 nan 8.250 nan 0.000 0.439 285 N N 1.292 119.995 118.700 0.005 0.000 2.309 285 N HA -0.109 4.631 4.740 -0.001 0.000 0.182 285 N C 0.579 176.116 175.510 0.045 0.000 1.018 285 N CA 1.052 54.105 53.050 0.005 0.000 0.876 285 N CB -0.068 38.421 38.487 0.004 0.000 0.972 285 N HN 0.267 nan 8.380 nan 0.000 0.434 286 D N 0.586 121.047 120.400 0.103 0.000 2.339 286 D HA 0.036 4.676 4.640 -0.001 0.000 0.217 286 D C 0.112 176.460 176.300 0.080 0.000 1.050 286 D CA 0.137 54.197 54.000 0.100 0.000 0.856 286 D CB 0.254 41.149 40.800 0.158 0.000 0.922 286 D HN -0.092 nan 8.370 nan 0.000 0.518 287 K N -0.232 120.223 120.400 0.092 0.000 3.125 287 K HA -0.164 4.155 4.320 -0.001 0.000 0.268 287 K C 0.077 176.745 176.600 0.113 0.000 1.078 287 K CA 0.512 56.849 56.287 0.083 0.000 0.775 287 K CB -2.512 30.010 32.500 0.036 0.000 1.253 287 K HN 0.271 nan 8.250 nan 0.000 0.486 288 A N 1.001 123.937 122.820 0.192 0.000 2.346 288 A HA 0.247 4.566 4.320 -0.001 0.000 0.252 288 A C 0.576 178.295 177.584 0.224 0.000 1.089 288 A CA 0.007 52.148 52.037 0.172 0.000 0.797 288 A CB 0.253 19.311 19.000 0.096 0.000 1.047 288 A HN 0.456 nan 8.150 nan 0.000 0.494 289 N N 0.229 119.010 118.700 0.136 0.000 2.462 289 N HA 0.503 5.243 4.740 -0.001 0.000 0.242 289 N C -1.329 174.150 175.510 -0.051 0.000 1.010 289 N CA -0.250 52.835 53.050 0.059 0.000 0.939 289 N CB 0.344 38.865 38.487 0.057 0.000 1.127 289 N HN 0.628 nan 8.380 nan 0.000 0.509 290 Y N 0.469 120.638 120.300 -0.218 0.000 2.689 290 Y HA 0.543 5.093 4.550 -0.001 0.000 0.333 290 Y C -1.371 174.488 175.900 -0.068 0.000 1.208 290 Y CA -1.163 56.697 58.100 -0.399 0.000 1.055 290 Y CB 0.565 38.995 38.460 -0.050 0.000 1.304 290 Y HN 0.291 nan 8.280 nan 0.000 0.455 291 S N 1.424 117.197 115.700 0.122 0.000 2.671 291 S HA 0.833 5.302 4.470 -0.001 0.000 0.299 291 S C -1.526 173.239 174.600 0.274 0.000 1.116 291 S CA -1.048 57.272 58.200 0.200 0.000 0.912 291 S CB 1.944 65.356 63.200 0.353 0.000 1.130 291 S HN 0.804 nan 8.310 nan 0.000 0.501 292 L N 1.480 122.801 121.223 0.162 0.000 2.329 292 L HA 0.617 4.957 4.340 -0.001 0.000 0.279 292 L C -1.014 175.940 176.870 0.141 0.000 1.014 292 L CA -0.685 54.200 54.840 0.076 0.000 0.814 292 L CB 1.434 43.347 42.059 -0.244 0.000 1.257 292 L HN 0.762 nan 8.230 nan 0.000 0.424 293 N N -1.076 117.713 118.700 0.148 0.000 2.331 293 N HA 0.280 5.020 4.740 -0.001 0.000 0.280 293 N C 0.398 176.059 175.510 0.251 0.000 1.155 293 N CA -0.581 52.599 53.050 0.216 0.000 0.822 293 N CB 1.922 40.551 38.487 0.237 0.000 1.619 293 N HN 0.590 nan 8.380 nan 0.000 0.476 294 T N -2.539 112.200 114.554 0.309 0.000 3.043 294 T HA 0.010 4.360 4.350 -0.001 0.000 0.263 294 T C 0.797 175.804 174.700 0.511 0.000 1.094 294 T CA 1.167 63.491 62.100 0.373 0.000 1.127 294 T CB -0.112 68.956 68.868 0.334 0.000 0.905 294 T HN 0.621 nan 8.240 nan 0.000 0.490 295 D N 1.737 122.459 120.400 0.536 0.000 4.286 295 D HA -0.194 4.446 4.640 -0.001 0.000 0.203 295 D C -0.662 176.060 176.300 0.704 0.000 1.071 295 D CA 2.200 56.637 54.000 0.727 0.000 2.291 295 D CB -1.489 39.760 40.800 0.748 0.000 1.164 295 D HN 0.578 nan 8.370 nan 0.000 0.407 296 D N 0.141 120.891 120.400 0.583 0.000 2.621 296 D HA 0.206 4.846 4.640 -0.001 0.000 0.274 296 D C -1.916 174.453 176.300 0.115 0.000 1.215 296 D CA -0.764 53.383 54.000 0.245 0.000 0.810 296 D CB 1.771 42.536 40.800 -0.057 0.000 1.248 296 D HN 0.242 nan 8.370 nan 0.000 0.517 297 P HA -0.169 nan 4.420 nan 0.000 0.218 297 P C 1.789 179.180 177.300 0.152 0.000 1.148 297 P CA 0.413 63.676 63.100 0.271 0.000 0.822 297 P CB 0.674 32.517 31.700 0.238 0.000 0.784 298 L N -0.366 120.892 121.223 0.059 0.000 1.994 298 L HA -0.090 4.250 4.340 -0.001 0.000 0.208 298 L C 2.449 179.288 176.870 -0.051 0.000 1.071 298 L CA 1.831 56.657 54.840 -0.024 0.000 0.745 298 L CB -1.309 40.678 42.059 -0.120 0.000 0.892 298 L HN -0.212 nan 8.230 nan 0.000 0.431 299 I N -1.118 119.353 120.570 -0.165 0.000 2.439 299 I HA -0.209 3.961 4.170 -0.001 0.000 0.251 299 I C 1.195 177.316 176.117 0.007 0.000 1.139 299 I CA 0.834 62.020 61.300 -0.190 0.000 1.438 299 I CB -0.189 37.566 38.000 -0.409 0.000 1.085 299 I HN 0.177 nan 8.210 nan 0.000 0.427 300 F N 1.108 121.205 119.950 0.245 0.000 2.693 300 F HA 0.204 4.730 4.527 -0.000 0.000 0.303 300 F C 0.871 176.915 175.800 0.407 0.000 1.097 300 F CA -0.744 57.447 58.000 0.318 0.000 1.330 300 F CB -0.859 38.360 39.000 0.364 0.000 1.067 300 F HN -0.106 nan 8.300 nan 0.000 0.565 301 K N 1.342 121.962 120.400 0.367 0.000 3.148 301 K HA -0.189 4.131 4.320 -0.001 0.000 0.267 301 K C 0.104 176.848 176.600 0.240 0.000 0.996 301 K CA 0.798 57.240 56.287 0.258 0.000 0.737 301 K CB -1.965 30.685 32.500 0.250 0.000 1.308 301 K HN 0.467 nan 8.250 nan 0.000 0.470 302 S N -1.542 114.305 115.700 0.245 0.000 2.661 302 S HA 0.734 5.203 4.470 -0.001 0.000 0.285 302 S C -0.124 174.544 174.600 0.114 0.000 1.138 302 S CA -0.141 58.154 58.200 0.158 0.000 0.855 302 S CB 2.820 66.184 63.200 0.274 0.000 1.136 302 S HN 0.303 nan 8.310 nan 0.000 0.484 303 T N -1.294 113.288 114.554 0.047 0.000 2.888 303 T HA 0.567 4.917 4.350 -0.001 0.000 0.288 303 T C 0.736 175.470 174.700 0.057 0.000 1.063 303 T CA -0.826 61.300 62.100 0.044 0.000 1.010 303 T CB 0.702 69.563 68.868 -0.013 0.000 1.214 303 T HN 0.419 nan 8.240 nan 0.000 0.533 304 L N 1.008 122.272 121.223 0.068 0.000 2.089 304 L HA -0.046 4.293 4.340 -0.001 0.000 0.213 304 L C 2.120 179.073 176.870 0.140 0.000 1.079 304 L CA 2.097 57.015 54.840 0.129 0.000 0.758 304 L CB -1.366 40.748 42.059 0.091 0.000 0.891 304 L HN 0.978 nan 8.230 nan 0.000 0.433 305 D N -1.795 118.614 120.400 0.015 0.000 2.117 305 D HA -0.183 4.457 4.640 -0.001 0.000 0.197 305 D C 1.967 178.252 176.300 -0.026 0.000 0.987 305 D CA 1.663 55.653 54.000 -0.017 0.000 0.829 305 D CB 0.103 40.862 40.800 -0.069 0.000 0.961 305 D HN 0.374 nan 8.370 nan 0.000 0.460 306 T N 0.270 114.767 114.554 -0.095 0.000 2.649 306 T HA -0.219 4.130 4.350 -0.001 0.000 0.268 306 T C 1.391 175.979 174.700 -0.187 0.000 1.036 306 T CA 1.723 63.677 62.100 -0.243 0.000 1.157 306 T CB -0.406 68.216 68.868 -0.410 0.000 0.861 306 T HN 0.311 nan 8.240 nan 0.000 0.445 307 D N -0.243 120.125 120.400 -0.053 0.000 2.123 307 D HA -0.029 4.611 4.640 -0.001 0.000 0.200 307 D C 2.017 178.222 176.300 -0.159 0.000 0.976 307 D CA 0.986 54.943 54.000 -0.071 0.000 0.831 307 D CB -0.186 40.604 40.800 -0.017 0.000 0.974 307 D HN 0.460 nan 8.370 nan 0.000 0.469 308 Y N 1.577 121.762 120.300 -0.193 0.000 2.200 308 Y HA -0.140 4.409 4.550 -0.001 0.000 0.290 308 Y C 2.782 178.609 175.900 -0.121 0.000 1.137 308 Y CA 0.771 58.702 58.100 -0.281 0.000 1.163 308 Y CB -0.014 38.158 38.460 -0.480 0.000 0.988 308 Y HN -0.128 nan 8.280 nan 0.000 0.518 309 Q N -0.218 119.604 119.800 0.035 0.000 2.135 309 Q HA -0.258 4.082 4.340 -0.001 0.000 0.204 309 Q C 2.377 178.351 176.000 -0.043 0.000 0.981 309 Q CA 1.622 57.426 55.803 0.002 0.000 0.856 309 Q CB -0.468 28.233 28.738 -0.061 0.000 0.902 309 Q HN 0.594 nan 8.270 nan 0.000 0.425 310 M N 0.363 119.895 119.600 -0.114 0.000 2.099 310 M HA -0.158 4.321 4.480 -0.001 0.000 0.262 310 M C 1.965 178.156 176.300 -0.181 0.000 1.067 310 M CA 2.079 57.292 55.300 -0.146 0.000 1.124 310 M CB -0.106 32.401 32.600 -0.156 0.000 1.353 310 M HN 0.274 nan 8.290 nan 0.000 0.410 311 T N -2.080 112.308 114.554 -0.277 0.000 3.023 311 T HA -0.059 4.291 4.350 -0.001 0.000 0.266 311 T C 1.723 176.326 174.700 -0.161 0.000 1.093 311 T CA 1.005 62.808 62.100 -0.495 0.000 1.129 311 T CB -0.207 67.968 68.868 -1.156 0.000 0.899 311 T HN 0.430 nan 8.240 nan 0.000 0.491 312 K N 1.354 121.798 120.400 0.074 0.000 2.021 312 K HA 0.033 4.353 4.320 -0.001 0.000 0.205 312 K C 2.270 178.920 176.600 0.083 0.000 1.047 312 K CA 0.794 57.191 56.287 0.184 0.000 0.943 312 K CB -0.017 32.669 32.500 0.310 0.000 0.725 312 K HN 0.228 nan 8.250 nan 0.000 0.439 313 K N 0.184 120.609 120.400 0.042 0.000 2.057 313 K HA -0.098 4.222 4.320 -0.001 0.000 0.206 313 K C 1.364 177.967 176.600 0.005 0.000 1.050 313 K CA 1.669 57.967 56.287 0.018 0.000 0.935 313 K CB 0.108 32.607 32.500 -0.001 0.000 0.715 313 K HN 0.199 nan 8.250 nan 0.000 0.439 314 D N -0.722 119.666 120.400 -0.019 0.000 2.422 314 D HA 0.084 4.723 4.640 -0.001 0.000 0.218 314 D C 1.138 177.428 176.300 -0.016 0.000 1.047 314 D CA 0.775 54.763 54.000 -0.020 0.000 0.885 314 D CB 0.457 41.236 40.800 -0.034 0.000 1.035 314 D HN 0.087 nan 8.370 nan 0.000 0.502 315 M N -0.641 118.944 119.600 -0.025 0.000 2.412 315 M HA 0.276 4.755 4.480 -0.001 0.000 0.315 315 M C 0.724 177.148 176.300 0.207 0.000 1.092 315 M CA -0.008 55.318 55.300 0.044 0.000 0.974 315 M CB 1.653 34.200 32.600 -0.087 0.000 1.437 315 M HN 0.027 nan 8.290 nan 0.000 0.524 316 G N 0.910 109.793 108.800 0.138 0.000 2.179 316 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.257 316 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.257 316 G C -0.199 174.754 174.900 0.088 0.000 1.010 316 G CA -0.273 44.883 45.100 0.093 0.000 0.736 316 G HN 0.355 nan 8.290 nan 0.000 0.513 317 F N 2.157 122.003 119.950 -0.173 0.000 2.538 317 F HA 0.464 4.990 4.527 -0.001 0.000 0.371 317 F C 1.561 177.019 175.800 -0.570 0.000 1.087 317 F CA 0.310 58.083 58.000 -0.378 0.000 1.250 317 F CB 0.790 39.557 39.000 -0.388 0.000 1.110 317 F HN 0.226 nan 8.300 nan 0.000 0.570 318 T N -0.585 113.638 114.554 -0.552 0.000 2.948 318 T HA 0.261 4.611 4.350 -0.001 0.000 0.285 318 T C 1.074 175.460 174.700 -0.523 0.000 1.019 318 T CA -0.809 61.043 62.100 -0.413 0.000 1.013 318 T CB 1.478 70.192 68.868 -0.257 0.000 1.117 318 T HN 0.686 nan 8.240 nan 0.000 0.533 319 E N 0.232 120.338 120.200 -0.157 0.000 2.097 319 E HA -0.272 4.077 4.350 -0.001 0.000 0.196 319 E C 1.887 178.440 176.600 -0.078 0.000 1.000 319 E CA 1.716 58.154 56.400 0.064 0.000 0.804 319 E CB -0.042 29.755 29.700 0.162 0.000 0.740 319 E HN 0.868 nan 8.360 nan 0.000 0.454 320 E N 0.255 120.369 120.200 -0.144 0.000 2.085 320 E HA -0.273 4.077 4.350 -0.001 0.000 0.194 320 E C 1.998 178.466 176.600 -0.220 0.000 0.994 320 E CA 1.597 57.903 56.400 -0.158 0.000 0.801 320 E CB -0.053 29.570 29.700 -0.128 0.000 0.743 320 E HN 0.115 nan 8.360 nan 0.000 0.453 321 E N -0.189 119.819 120.200 -0.319 0.000 2.072 321 E HA -0.158 4.192 4.350 -0.001 0.000 0.191 321 E C 1.655 178.110 176.600 -0.240 0.000 0.985 321 E CA 1.206 57.407 56.400 -0.332 0.000 0.801 321 E CB -0.363 29.021 29.700 -0.527 0.000 0.750 321 E HN 0.290 nan 8.360 nan 0.000 0.452 322 F N 1.348 121.125 119.950 -0.287 0.000 2.120 322 F HA -0.139 4.388 4.527 -0.001 0.000 0.300 322 F C 2.092 177.539 175.800 -0.588 0.000 1.095 322 F CA 1.302 58.985 58.000 -0.528 0.000 1.249 322 F CB -0.719 37.594 39.000 -1.144 0.000 0.995 322 F HN 0.065 nan 8.300 nan 0.000 0.480 323 K N -0.190 120.002 120.400 -0.346 0.000 2.002 323 K HA -0.199 4.121 4.320 -0.001 0.000 0.209 323 K C 2.285 178.812 176.600 -0.123 0.000 1.048 323 K CA 1.451 57.524 56.287 -0.355 0.000 0.930 323 K CB -0.319 31.908 32.500 -0.455 0.000 0.714 323 K HN 0.119 nan 8.250 nan 0.000 0.438 324 R N 1.382 121.804 120.500 -0.129 0.000 2.080 324 R HA -0.185 4.154 4.340 -0.001 0.000 0.236 324 R C 2.473 178.727 176.300 -0.076 0.000 1.137 324 R CA 1.888 57.937 56.100 -0.084 0.000 0.943 324 R CB -0.375 29.863 30.300 -0.104 0.000 0.846 324 R HN 0.213 nan 8.270 nan 0.000 0.431 325 L N -0.906 120.235 121.223 -0.136 0.000 2.217 325 L HA 0.039 4.379 4.340 -0.001 0.000 0.211 325 L C 1.270 178.105 176.870 -0.058 0.000 1.107 325 L CA 1.796 56.497 54.840 -0.232 0.000 0.783 325 L CB -0.635 41.173 42.059 -0.418 0.000 0.919 325 L HN 0.052 nan 8.230 nan 0.000 0.442 326 N N 0.248 118.979 118.700 0.052 0.000 2.300 326 N HA 0.057 4.796 4.740 -0.001 0.000 0.179 326 N C 1.852 177.453 175.510 0.151 0.000 1.016 326 N CA 1.282 54.428 53.050 0.160 0.000 0.876 326 N CB -0.211 38.456 38.487 0.300 0.000 0.979 326 N HN 0.369 nan 8.380 nan 0.000 0.432 327 I N 0.757 121.411 120.570 0.141 0.000 2.252 327 I HA -0.231 3.938 4.170 -0.001 0.000 0.245 327 I C 1.637 177.806 176.117 0.087 0.000 1.102 327 I CA 0.815 62.188 61.300 0.121 0.000 1.385 327 I CB -0.215 37.849 38.000 0.107 0.000 1.064 327 I HN 0.184 nan 8.210 nan 0.000 0.414 328 N N 1.165 119.899 118.700 0.057 0.000 2.149 328 N HA -0.152 4.588 4.740 -0.001 0.000 0.188 328 N C 1.859 177.416 175.510 0.077 0.000 1.019 328 N CA 1.656 54.742 53.050 0.061 0.000 0.857 328 N CB -0.371 38.133 38.487 0.028 0.000 0.997 328 N HN 0.368 nan 8.380 nan 0.000 0.426 329 A N 0.611 123.486 122.820 0.091 0.000 1.969 329 A HA 0.079 4.399 4.320 -0.001 0.000 0.218 329 A C 2.321 179.874 177.584 -0.051 0.000 1.169 329 A CA 1.716 53.769 52.037 0.027 0.000 0.635 329 A CB -0.676 18.390 19.000 0.109 0.000 0.810 329 A HN 0.309 nan 8.150 nan 0.000 0.445 330 A N -0.226 122.603 122.820 0.014 0.000 1.898 330 A HA -0.130 4.189 4.320 -0.001 0.000 0.216 330 A C 2.108 179.651 177.584 -0.068 0.000 1.181 330 A CA 1.722 53.751 52.037 -0.013 0.000 0.620 330 A CB -0.361 18.654 19.000 0.025 0.000 0.819 330 A HN 0.496 nan 8.150 nan 0.000 0.442 331 K N -0.241 120.135 120.400 -0.040 0.000 2.217 331 K HA 0.025 4.345 4.320 -0.001 0.000 0.202 331 K C 1.536 178.076 176.600 -0.100 0.000 1.051 331 K CA 1.189 57.451 56.287 -0.042 0.000 0.952 331 K CB 0.013 32.517 32.500 0.005 0.000 0.736 331 K HN 0.403 nan 8.250 nan 0.000 0.453 332 S N 0.812 116.402 115.700 -0.185 0.000 2.556 332 S HA 0.009 4.479 4.470 -0.001 0.000 0.216 332 S C 0.499 174.790 174.600 -0.515 0.000 0.970 332 S CA -0.256 57.748 58.200 -0.327 0.000 0.912 332 S CB 0.279 63.166 63.200 -0.522 0.000 0.790 332 S HN 0.332 nan 8.310 nan 0.000 0.504 333 S N 1.091 116.559 115.700 -0.386 0.000 2.580 333 S HA 0.191 4.661 4.470 -0.001 0.000 0.266 333 S C 0.030 174.378 174.600 -0.420 0.000 1.354 333 S CA -0.182 57.782 58.200 -0.393 0.000 1.008 333 S CB -0.074 63.046 63.200 -0.133 0.000 0.898 333 S HN 0.196 nan 8.310 nan 0.000 0.555 334 F N 0.331 120.181 119.950 -0.167 0.000 2.798 334 F HA 0.428 4.955 4.527 -0.001 0.000 0.291 334 F C 0.270 175.960 175.800 -0.184 0.000 1.174 334 F CA -0.918 56.843 58.000 -0.399 0.000 1.392 334 F CB -0.798 38.009 39.000 -0.322 0.000 0.966 334 F HN 0.302 nan 8.300 nan 0.000 0.509 335 L N 2.203 123.421 121.223 -0.008 0.000 2.371 335 L HA 0.322 4.661 4.340 -0.001 0.000 0.272 335 L C -1.844 175.037 176.870 0.019 0.000 1.124 335 L CA -1.933 52.894 54.840 -0.022 0.000 0.816 335 L CB 0.602 42.538 42.059 -0.205 0.000 1.129 335 L HN -0.079 nan 8.230 nan 0.000 0.448 336 P HA -0.053 nan 4.420 nan 0.000 0.269 336 P C 0.415 177.728 177.300 0.022 0.000 1.211 336 P CA -0.078 63.061 63.100 0.066 0.000 0.781 336 P CB 0.580 32.313 31.700 0.056 0.000 0.877 337 E N 0.626 120.843 120.200 0.028 0.000 2.097 337 E HA -0.309 4.041 4.350 -0.001 0.000 0.196 337 E C 1.579 178.172 176.600 -0.012 0.000 1.000 337 E CA 1.537 57.942 56.400 0.008 0.000 0.804 337 E CB -0.008 29.701 29.700 0.015 0.000 0.740 337 E HN 0.439 nan 8.360 nan 0.000 0.454 338 E N 0.434 120.628 120.200 -0.009 0.000 2.076 338 E HA -0.141 4.209 4.350 -0.001 0.000 0.190 338 E C 1.655 178.236 176.600 -0.031 0.000 0.979 338 E CA 1.313 57.703 56.400 -0.017 0.000 0.807 338 E CB 0.082 29.777 29.700 -0.008 0.000 0.761 338 E HN 0.308 nan 8.360 nan 0.000 0.454 339 E N 0.224 120.402 120.200 -0.037 0.000 2.150 339 E HA -0.180 4.170 4.350 -0.001 0.000 0.193 339 E C 1.924 178.459 176.600 -0.109 0.000 0.985 339 E CA 0.856 57.216 56.400 -0.066 0.000 0.814 339 E CB -0.065 29.594 29.700 -0.068 0.000 0.752 339 E HN 0.130 nan 8.360 nan 0.000 0.466 340 K N 1.578 121.917 120.400 -0.102 0.000 2.057 340 K HA -0.154 4.165 4.320 -0.001 0.000 0.206 340 K C 1.889 178.441 176.600 -0.080 0.000 1.050 340 K CA 1.141 57.356 56.287 -0.120 0.000 0.935 340 K CB 0.136 32.581 32.500 -0.092 0.000 0.715 340 K HN -0.068 nan 8.250 nan 0.000 0.439 341 K N 0.596 120.963 120.400 -0.055 0.000 2.097 341 K HA -0.172 4.147 4.320 -0.001 0.000 0.206 341 K C 1.995 178.569 176.600 -0.044 0.000 1.049 341 K CA 1.761 58.020 56.287 -0.045 0.000 0.933 341 K CB -0.052 32.425 32.500 -0.039 0.000 0.717 341 K HN 0.301 nan 8.250 nan 0.000 0.442 342 E N 0.790 120.961 120.200 -0.048 0.000 2.110 342 E HA -0.194 4.156 4.350 -0.001 0.000 0.193 342 E C 1.953 178.527 176.600 -0.044 0.000 0.988 342 E CA 0.779 57.154 56.400 -0.041 0.000 0.804 342 E CB -0.051 29.626 29.700 -0.040 0.000 0.745 342 E HN 0.092 nan 8.360 nan 0.000 0.458 343 L N 0.799 121.981 121.223 -0.069 0.000 2.027 343 L HA -0.140 4.200 4.340 -0.001 0.000 0.206 343 L C 1.986 178.843 176.870 -0.021 0.000 1.074 343 L CA 1.540 56.339 54.840 -0.069 0.000 0.745 343 L CB -0.365 41.607 42.059 -0.145 0.000 0.898 343 L HN 0.103 nan 8.230 nan 0.000 0.433 344 L N -0.472 120.755 121.223 0.006 0.000 2.046 344 L HA -0.230 4.109 4.340 -0.001 0.000 0.208 344 L C 2.584 179.542 176.870 0.147 0.000 1.077 344 L CA 1.729 56.634 54.840 0.108 0.000 0.747 344 L CB -0.601 41.505 42.059 0.079 0.000 0.896 344 L HN 0.407 nan 8.230 nan 0.000 0.432 345 E N 0.100 120.321 120.200 0.035 0.000 2.085 345 E HA -0.279 4.070 4.350 -0.001 0.000 0.194 345 E C 2.405 179.023 176.600 0.030 0.000 0.994 345 E CA 1.200 57.611 56.400 0.018 0.000 0.801 345 E CB 0.024 29.714 29.700 -0.017 0.000 0.743 345 E HN 0.250 nan 8.360 nan 0.000 0.453 346 R N 0.129 120.626 120.500 -0.005 0.000 2.090 346 R HA -0.069 4.271 4.340 -0.001 0.000 0.228 346 R C 2.410 178.641 176.300 -0.116 0.000 1.110 346 R CA 0.744 56.819 56.100 -0.041 0.000 0.973 346 R CB -0.124 30.150 30.300 -0.043 0.000 0.869 346 R HN 0.248 nan 8.270 nan 0.000 0.440 347 L N -0.327 120.800 121.223 -0.160 0.000 1.994 347 L HA -0.215 4.125 4.340 -0.001 0.000 0.208 347 L C 2.289 178.845 176.870 -0.522 0.000 1.071 347 L CA 1.627 56.172 54.840 -0.493 0.000 0.745 347 L CB -0.758 41.041 42.059 -0.433 0.000 0.892 347 L HN 0.203 nan 8.230 nan 0.000 0.431 348 Y N -0.308 119.859 120.300 -0.222 0.000 2.151 348 Y HA -0.294 4.256 4.550 -0.001 0.000 0.284 348 Y C 2.916 178.794 175.900 -0.037 0.000 1.166 348 Y CA 1.535 59.598 58.100 -0.061 0.000 1.163 348 Y CB -0.273 38.184 38.460 -0.005 0.000 0.974 348 Y HN 0.082 nan 8.280 nan 0.000 0.511 349 R N 0.765 121.310 120.500 0.075 0.000 2.092 349 R HA -0.146 4.194 4.340 -0.001 0.000 0.231 349 R C 1.414 177.720 176.300 0.010 0.000 1.119 349 R CA 1.615 57.741 56.100 0.043 0.000 0.970 349 R CB -0.105 30.206 30.300 0.018 0.000 0.864 349 R HN 0.421 nan 8.270 nan 0.000 0.440 350 E N -0.693 119.466 120.200 -0.067 0.000 2.489 350 E HA -0.100 4.249 4.350 -0.001 0.000 0.193 350 E C 0.517 177.159 176.600 0.070 0.000 1.057 350 E CA 0.281 56.647 56.400 -0.056 0.000 0.866 350 E CB 0.314 29.939 29.700 -0.125 0.000 0.916 350 E HN 0.413 nan 8.360 nan 0.000 0.500 351 Y N 0.885 121.182 120.300 -0.005 0.000 2.458 351 Y HA 0.131 4.680 4.550 -0.000 0.000 0.256 351 Y C 1.342 177.244 175.900 0.003 0.000 1.159 351 Y CA -0.264 57.829 58.100 -0.012 0.000 1.261 351 Y CB 0.054 38.481 38.460 -0.054 0.000 1.119 351 Y HN -0.082 nan 8.280 nan 0.000 0.524 352 Q N 0.000 119.897 119.800 0.161 0.000 2.315 352 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 352 Q CA 0.000 55.867 55.803 0.106 0.000 1.022 352 Q CB 0.000 28.787 28.738 0.081 0.000 1.108 352 Q HN 0.000 nan 8.270 nan 0.000 0.481