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 3glh_1_I DATA FIRST_RESID 4 DATA SEQUENCE QVLARKWRPQ TFADVVGQEH VLTALANGLS LGRIHHAYLF SGTRGVGKTS DATA SEQUENCE IARLLAKGLN CETGITATPC GVCDNCREIE QGRFVDLIEI DAASRTKVED DATA SEQUENCE TRDLLDNVQY APARGRFKVY LIDEVHMLSR HSFNALLKTL EEPPEHVKFL DATA SEQUENCE LATTDPQKLP VTILSRCLQF HLKXLDVEQI RHQLEHILNE EHIAHEPRAL DATA SEQUENCE QLLARAAEGS LRDALSLTDQ AIASGDGQVS TQAVSAMLXT LDDDQALSLV DATA SEQUENCE EAMVEANGER VMALINEAAA RGIEWEALLV EMLGLLHRIA MVQLSPAALG DATA SEQUENCE NDMAAIELRM RELARTIPPT DIQLYYQTLL IGRKELPYAP DRRMGVEMTL DATA SEQUENCE LRALAFHPRM PLPEP 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 176.031 176.000 0.052 0.000 1.003 4 Q CA 0.000 55.827 55.803 0.039 0.000 1.022 4 Q CB 0.000 28.763 28.738 0.042 0.000 1.108 5 V N 2.888 122.837 119.914 0.058 0.000 2.459 5 V HA 0.457 4.577 4.120 -0.000 0.000 0.295 5 V C 0.141 176.291 176.094 0.094 0.000 1.029 5 V CA -0.813 61.523 62.300 0.059 0.000 0.874 5 V CB 1.634 33.483 31.823 0.042 0.000 0.985 5 V HN 0.603 nan 8.190 nan 0.000 0.438 6 L N 4.421 125.697 121.223 0.089 0.000 2.395 6 L HA 0.629 4.969 4.340 -0.000 0.000 0.268 6 L C 0.791 177.708 176.870 0.078 0.000 1.223 6 L CA 0.464 55.379 54.840 0.125 0.000 1.093 6 L CB -0.560 41.493 42.059 -0.010 0.000 1.349 6 L HN 0.823 nan 8.230 nan 0.000 0.427 7 A N 1.373 124.260 122.820 0.112 0.000 1.429 7 A HA 0.091 4.411 4.320 -0.000 0.000 0.212 7 A C 1.863 179.504 177.584 0.095 0.000 1.863 7 A CA 0.030 52.112 52.037 0.075 0.000 1.494 7 A CB -0.101 18.924 19.000 0.042 0.000 1.413 7 A HN 0.492 nan 8.150 nan 0.000 0.338 8 R N 1.264 121.815 120.500 0.085 0.000 2.052 8 R HA 0.129 4.469 4.340 -0.000 0.000 0.226 8 R C 1.880 178.222 176.300 0.070 0.000 1.145 8 R CA 2.144 58.281 56.100 0.062 0.000 0.952 8 R CB -0.566 29.757 30.300 0.038 0.000 0.847 8 R HN 0.372 nan 8.270 nan 0.000 0.431 9 K N -1.081 119.375 120.400 0.095 0.000 2.362 9 K HA -0.154 4.166 4.320 -0.000 0.000 0.202 9 K C 0.205 176.755 176.600 -0.083 0.000 1.045 9 K CA 1.349 57.654 56.287 0.030 0.000 0.936 9 K CB -0.064 32.483 32.500 0.078 0.000 0.747 9 K HN 0.284 nan 8.250 nan 0.000 0.467 10 W N 1.351 122.638 121.300 -0.021 0.000 2.966 10 W HA 0.245 4.904 4.660 -0.000 0.000 0.406 10 W C -0.420 176.083 176.519 -0.028 0.000 1.027 10 W CA -0.654 56.678 57.345 -0.021 0.000 1.930 10 W CB 0.472 29.924 29.460 -0.014 0.000 1.144 10 W HN -0.243 nan 8.180 nan 0.000 0.626 11 R N 3.087 123.639 120.500 0.086 0.000 2.480 11 R HA 0.010 4.350 4.340 -0.000 0.000 0.303 11 R C -2.015 174.280 176.300 -0.008 0.000 0.985 11 R CA -0.935 55.185 56.100 0.034 0.000 1.051 11 R CB -0.212 30.083 30.300 -0.008 0.000 0.935 11 R HN -0.162 nan 8.270 nan 0.000 0.410 12 P HA -0.076 nan 4.420 nan 0.000 0.265 12 P C -0.381 176.858 177.300 -0.103 0.000 1.193 12 P CA 0.094 63.174 63.100 -0.034 0.000 0.765 12 P CB 0.901 32.593 31.700 -0.013 0.000 0.823 13 Q N 0.597 120.315 119.800 -0.137 0.000 2.352 13 Q HA 0.152 4.492 4.340 -0.000 0.000 0.212 13 Q C 0.320 176.171 176.000 -0.248 0.000 0.888 13 Q CA 0.849 56.545 55.803 -0.178 0.000 0.934 13 Q CB 0.500 29.140 28.738 -0.163 0.000 1.093 13 Q HN 0.510 nan 8.270 nan 0.000 0.523 14 T N -0.950 113.455 114.554 -0.247 0.000 2.864 14 T HA 0.371 4.720 4.350 -0.000 0.000 0.299 14 T C 0.247 174.773 174.700 -0.290 0.000 1.166 14 T CA -0.632 61.262 62.100 -0.344 0.000 1.007 14 T CB 0.626 69.378 68.868 -0.193 0.000 1.219 14 T HN -0.209 nan 8.240 nan 0.000 0.506 15 F N 0.822 120.731 119.950 -0.069 0.000 2.365 15 F HA 0.096 4.623 4.527 -0.000 0.000 0.300 15 F C 2.638 178.399 175.800 -0.066 0.000 1.090 15 F CA 0.685 58.639 58.000 -0.078 0.000 1.408 15 F CB -1.074 37.874 39.000 -0.086 0.000 1.060 15 F HN 0.746 nan 8.300 nan 0.000 0.534 16 A N 0.649 123.513 122.820 0.073 0.000 1.940 16 A HA -0.234 4.085 4.320 -0.000 0.000 0.219 16 A C 1.190 178.782 177.584 0.013 0.000 1.176 16 A CA 2.087 54.143 52.037 0.031 0.000 0.631 16 A CB -1.043 17.958 19.000 0.001 0.000 0.814 16 A HN 0.476 nan 8.150 nan 0.000 0.446 17 D N -1.368 119.033 120.400 0.002 0.000 2.463 17 D HA 0.373 5.013 4.640 -0.000 0.000 0.224 17 D C -0.109 176.209 176.300 0.031 0.000 1.174 17 D CA -0.329 53.681 54.000 0.018 0.000 0.829 17 D CB 0.325 41.139 40.800 0.024 0.000 0.993 17 D HN 0.135 nan 8.370 nan 0.000 0.497 18 V N 0.560 120.491 119.914 0.029 0.000 2.904 18 V HA 0.338 4.458 4.120 -0.000 0.000 0.305 18 V C 0.325 176.425 176.094 0.010 0.000 1.067 18 V CA -0.815 61.501 62.300 0.027 0.000 1.044 18 V CB 2.023 33.874 31.823 0.045 0.000 1.050 18 V HN 0.033 nan 8.190 nan 0.000 0.475 19 V N 1.959 121.874 119.914 0.002 0.000 2.448 19 V HA 0.696 4.816 4.120 -0.000 0.000 0.295 19 V C 0.994 177.074 176.094 -0.023 0.000 1.025 19 V CA 0.370 62.663 62.300 -0.012 0.000 0.859 19 V CB 0.620 32.439 31.823 -0.006 0.000 0.988 19 V HN 1.181 nan 8.190 nan 0.000 0.431 20 G N 3.546 112.323 108.800 -0.038 0.000 2.189 20 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.267 20 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.267 20 G C 0.590 175.460 174.900 -0.049 0.000 0.975 20 G CA 0.443 45.518 45.100 -0.042 0.000 0.644 20 G HN 0.617 nan 8.290 nan 0.000 0.537 21 Q N 0.204 119.967 119.800 -0.062 0.000 2.222 21 Q HA 0.234 4.574 4.340 -0.000 0.000 0.206 21 Q C 1.758 177.666 176.000 -0.154 0.000 0.877 21 Q CA 0.612 56.372 55.803 -0.073 0.000 0.958 21 Q CB 0.001 28.700 28.738 -0.064 0.000 1.075 21 Q HN 0.797 nan 8.270 nan 0.000 0.483 22 E N 0.431 120.511 120.200 -0.201 0.000 2.598 22 E HA -0.318 4.032 4.350 -0.000 0.000 0.250 22 E C 1.435 177.735 176.600 -0.500 0.000 1.037 22 E CA 2.307 58.495 56.400 -0.352 0.000 1.274 22 E CB -0.362 29.084 29.700 -0.423 0.000 1.177 22 E HN 0.573 nan 8.360 nan 0.000 0.490 23 H N -0.518 118.511 119.070 -0.070 0.000 2.326 23 H HA -0.033 4.523 4.556 -0.000 0.000 0.301 23 H C 2.445 177.671 175.328 -0.169 0.000 1.081 23 H CA 1.416 57.415 56.048 -0.082 0.000 1.334 23 H CB -0.508 29.237 29.762 -0.028 0.000 1.385 23 H HN 0.069 nan 8.280 nan 0.000 0.504 24 V N 1.549 121.364 119.914 -0.165 0.000 2.794 24 V HA -0.208 3.912 4.120 -0.000 0.000 0.260 24 V C 2.458 178.234 176.094 -0.530 0.000 1.103 24 V CA 1.293 63.338 62.300 -0.424 0.000 1.125 24 V CB -0.639 31.029 31.823 -0.258 0.000 0.702 24 V HN 0.257 nan 8.190 nan 0.000 0.494 25 L N -1.270 119.724 121.223 -0.383 0.000 2.408 25 L HA 0.039 4.379 4.340 -0.000 0.000 0.215 25 L C 2.414 179.058 176.870 -0.377 0.000 1.081 25 L CA 0.722 55.290 54.840 -0.453 0.000 0.840 25 L CB -0.638 41.226 42.059 -0.324 0.000 1.002 25 L HN 0.205 nan 8.230 nan 0.000 0.468 26 T N 0.426 114.830 114.554 -0.251 0.000 2.915 26 T HA -0.082 4.268 4.350 -0.000 0.000 0.269 26 T C 1.916 176.543 174.700 -0.122 0.000 1.071 26 T CA 1.299 63.311 62.100 -0.147 0.000 1.132 26 T CB -0.001 68.826 68.868 -0.068 0.000 0.878 26 T HN 0.401 nan 8.240 nan 0.000 0.479 27 A N 0.510 123.230 122.820 -0.168 0.000 2.030 27 A HA 0.319 4.639 4.320 -0.000 0.000 0.215 27 A C 2.100 179.616 177.584 -0.114 0.000 1.164 27 A CA 0.481 52.471 52.037 -0.078 0.000 0.697 27 A CB -0.311 18.687 19.000 -0.004 0.000 0.827 27 A HN 0.451 nan 8.150 nan 0.000 0.457 28 L N -1.284 119.746 121.223 -0.322 0.000 2.249 28 L HA 0.069 4.409 4.340 -0.000 0.000 0.207 28 L C 2.873 179.540 176.870 -0.339 0.000 1.090 28 L CA 0.750 55.367 54.840 -0.373 0.000 0.802 28 L CB -0.286 41.396 42.059 -0.629 0.000 0.947 28 L HN 0.374 nan 8.230 nan 0.000 0.453 29 A N 0.454 123.060 122.820 -0.357 0.000 1.929 29 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 29 A C 1.957 179.503 177.584 -0.063 0.000 1.176 29 A CA 1.544 53.468 52.037 -0.189 0.000 0.628 29 A CB -0.387 18.526 19.000 -0.146 0.000 0.816 29 A HN 0.369 nan 8.150 nan 0.000 0.444 30 N N 0.350 119.016 118.700 -0.056 0.000 2.216 30 N HA -0.044 4.696 4.740 -0.000 0.000 0.183 30 N C 1.809 177.336 175.510 0.028 0.000 1.017 30 N CA 1.323 54.373 53.050 -0.000 0.000 0.861 30 N CB -0.760 37.734 38.487 0.012 0.000 0.986 30 N HN 0.431 nan 8.380 nan 0.000 0.428 31 G N 1.206 110.025 108.800 0.033 0.000 2.421 31 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.216 31 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.216 31 G C 1.565 176.505 174.900 0.068 0.000 1.171 31 G CA 0.461 45.614 45.100 0.088 0.000 0.775 31 G HN 0.222 nan 8.290 nan 0.000 0.543 32 L N 0.598 121.844 121.223 0.038 0.000 2.056 32 L HA -0.054 4.286 4.340 -0.000 0.000 0.207 32 L C 3.230 180.139 176.870 0.066 0.000 1.078 32 L CA 1.082 55.957 54.840 0.060 0.000 0.749 32 L CB -0.480 41.627 42.059 0.080 0.000 0.901 32 L HN 0.178 nan 8.230 nan 0.000 0.433 33 S N 0.394 116.126 115.700 0.053 0.000 2.351 33 S HA -0.166 4.304 4.470 -0.000 0.000 0.220 33 S C 1.946 176.575 174.600 0.049 0.000 1.035 33 S CA 1.413 59.643 58.200 0.049 0.000 1.031 33 S CB -0.395 62.828 63.200 0.037 0.000 0.928 33 S HN 0.292 nan 8.310 nan 0.000 0.433 34 L N 0.118 121.369 121.223 0.047 0.000 2.217 34 L HA 0.094 4.434 4.340 -0.000 0.000 0.211 34 L C 1.933 178.832 176.870 0.049 0.000 1.107 34 L CA 0.879 55.745 54.840 0.045 0.000 0.783 34 L CB -0.551 41.533 42.059 0.043 0.000 0.919 34 L HN 0.621 nan 8.230 nan 0.000 0.442 35 G N 0.022 108.857 108.800 0.059 0.000 2.192 35 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.193 35 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.193 35 G C 0.188 175.118 174.900 0.049 0.000 0.999 35 G CA -0.566 44.574 45.100 0.067 0.000 0.659 35 G HN 0.312 nan 8.290 nan 0.000 0.503 36 R N 0.393 120.916 120.500 0.037 0.000 2.429 36 R HA 0.523 4.863 4.340 -0.000 0.000 0.302 36 R C -0.508 175.797 176.300 0.009 0.000 1.268 36 R CA 0.022 56.112 56.100 -0.016 0.000 1.090 36 R CB 0.132 30.449 30.300 0.028 0.000 1.102 36 R HN 0.264 nan 8.270 nan 0.000 0.522 37 I N 2.659 123.204 120.570 -0.043 0.000 2.382 37 I HA 0.183 4.353 4.170 -0.000 0.000 0.286 37 I C 0.553 176.605 176.117 -0.108 0.000 1.002 37 I CA -0.571 60.771 61.300 0.070 0.000 1.135 37 I CB 1.018 39.028 38.000 0.017 0.000 1.288 37 I HN 0.403 nan 8.210 nan 0.000 0.448 38 H N 4.706 123.709 119.070 -0.111 0.000 2.546 38 H HA 0.225 4.781 4.556 -0.000 0.000 0.365 38 H C 0.618 175.780 175.328 -0.275 0.000 1.220 38 H CA -0.377 55.435 56.048 -0.394 0.000 1.386 38 H CB 0.953 30.338 29.762 -0.627 0.000 1.510 38 H HN 0.563 nan 8.280 nan 0.000 0.591 39 H N 0.385 119.431 119.070 -0.039 0.000 2.390 39 H HA 0.027 4.583 4.556 -0.000 0.000 0.298 39 H C 0.537 175.917 175.328 0.085 0.000 1.106 39 H CA 1.147 57.211 56.048 0.027 0.000 1.297 39 H CB 0.086 29.873 29.762 0.041 0.000 1.375 39 H HN 0.586 nan 8.280 nan 0.000 0.509 40 A N -0.492 122.330 122.820 0.003 0.000 2.517 40 A HA 0.522 4.842 4.320 -0.000 0.000 0.297 40 A C -1.747 175.667 177.584 -0.284 0.000 1.050 40 A CA -0.648 51.397 52.037 0.013 0.000 0.694 40 A CB 1.016 20.057 19.000 0.068 0.000 1.277 40 A HN 0.111 nan 8.150 nan 0.000 0.400 41 Y N 1.874 122.143 120.300 -0.053 0.000 2.335 41 Y HA 0.530 5.080 4.550 -0.000 0.000 0.338 41 Y C 0.037 175.711 175.900 -0.375 0.000 0.977 41 Y CA -0.687 57.243 58.100 -0.283 0.000 1.114 41 Y CB 2.036 40.309 38.460 -0.311 0.000 1.182 41 Y HN 0.584 nan 8.280 nan 0.000 0.463 42 L N 5.899 126.938 121.223 -0.308 0.000 2.277 42 L HA 0.461 4.801 4.340 -0.000 0.000 0.284 42 L C -1.660 175.063 176.870 -0.245 0.000 1.028 42 L CA -0.505 54.207 54.840 -0.213 0.000 0.835 42 L CB -0.051 41.917 42.059 -0.152 0.000 1.215 42 L HN 0.541 nan 8.230 nan 0.000 0.425 43 F N 2.954 122.960 119.950 0.094 0.000 2.411 43 F HA 0.371 4.898 4.527 -0.000 0.000 0.350 43 F C 1.047 176.827 175.800 -0.033 0.000 1.114 43 F CA -0.198 57.846 58.000 0.073 0.000 1.135 43 F CB 1.661 40.714 39.000 0.088 0.000 1.120 43 F HN 0.515 nan 8.300 nan 0.000 0.495 44 S N 1.502 117.224 115.700 0.038 0.000 2.768 44 S HA 0.997 5.467 4.470 -0.000 0.000 0.300 44 S C -0.032 174.380 174.600 -0.312 0.000 1.122 44 S CA -0.381 57.684 58.200 -0.225 0.000 0.995 44 S CB 1.637 64.555 63.200 -0.470 0.000 1.195 44 S HN 1.439 nan 8.310 nan 0.000 0.547 45 G N -0.268 108.301 108.800 -0.385 0.000 2.459 45 G HA2 0.239 4.199 3.960 -0.000 0.000 0.685 45 G HA3 0.239 4.199 3.960 -0.000 0.000 0.685 45 G C -0.508 174.390 174.900 -0.004 0.000 1.303 45 G CA -0.546 44.488 45.100 -0.109 0.000 0.907 45 G HN 0.989 nan 8.290 nan 0.000 0.632 46 T N 0.236 114.825 114.554 0.059 0.000 2.748 46 T HA 0.490 4.840 4.350 -0.000 0.000 0.304 46 T C 1.109 175.830 174.700 0.035 0.000 1.041 46 T CA 0.377 62.505 62.100 0.046 0.000 1.033 46 T CB 0.577 69.479 68.868 0.056 0.000 0.995 46 T HN 1.102 nan 8.240 nan 0.000 0.536 47 R N -0.004 120.517 120.500 0.035 0.000 2.590 47 R HA 0.464 4.803 4.340 -0.000 0.000 0.274 47 R C 1.112 177.429 176.300 0.029 0.000 1.061 47 R CA 0.664 56.784 56.100 0.034 0.000 1.081 47 R CB -0.312 30.011 30.300 0.038 0.000 0.984 47 R HN 0.882 nan 8.270 nan 0.000 0.448 48 G N 1.310 110.124 108.800 0.024 0.000 2.561 48 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.203 48 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.203 48 G C -0.166 174.743 174.900 0.014 0.000 1.101 48 G CA -0.217 44.894 45.100 0.019 0.000 0.711 48 G HN 0.647 nan 8.290 nan 0.000 0.511 49 V N 2.358 122.283 119.914 0.018 0.000 3.139 49 V HA 0.424 4.544 4.120 -0.000 0.000 0.307 49 V C 2.153 178.244 176.094 -0.006 0.000 1.095 49 V CA 0.837 63.145 62.300 0.013 0.000 1.160 49 V CB 1.049 32.890 31.823 0.030 0.000 1.003 49 V HN 1.107 nan 8.190 nan 0.000 0.489 50 G N 1.301 110.088 108.800 -0.021 0.000 2.736 50 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.206 50 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.206 50 G C 1.305 176.142 174.900 -0.105 0.000 1.158 50 G CA 0.450 45.519 45.100 -0.052 0.000 0.801 50 G HN 0.846 nan 8.290 nan 0.000 0.528 51 K N 0.113 120.460 120.400 -0.088 0.000 2.023 51 K HA -0.289 4.031 4.320 -0.000 0.000 0.227 51 K C 2.907 179.391 176.600 -0.194 0.000 1.054 51 K CA 2.516 58.725 56.287 -0.129 0.000 0.977 51 K CB -0.646 31.847 32.500 -0.012 0.000 0.733 51 K HN 0.523 nan 8.250 nan 0.000 0.451 52 T N -1.753 112.753 114.554 -0.080 0.000 2.904 52 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 52 T C 2.091 176.741 174.700 -0.083 0.000 1.059 52 T CA 1.572 63.640 62.100 -0.054 0.000 1.137 52 T CB -0.172 68.699 68.868 0.006 0.000 0.879 52 T HN 0.197 nan 8.240 nan 0.000 0.467 53 S N 1.348 116.997 115.700 -0.085 0.000 2.356 53 S HA -0.018 4.452 4.470 -0.000 0.000 0.223 53 S C 1.994 176.530 174.600 -0.107 0.000 1.032 53 S CA 1.125 59.279 58.200 -0.077 0.000 1.005 53 S CB -0.652 62.515 63.200 -0.054 0.000 0.867 53 S HN 0.615 nan 8.310 nan 0.000 0.449 54 I N 1.524 121.994 120.570 -0.166 0.000 2.676 54 I HA -0.051 4.119 4.170 -0.000 0.000 0.259 54 I C 2.661 178.635 176.117 -0.239 0.000 1.194 54 I CA 0.708 61.903 61.300 -0.174 0.000 1.473 54 I CB -0.478 37.345 38.000 -0.295 0.000 1.096 54 I HN 0.377 nan 8.210 nan 0.000 0.443 55 A N 1.329 123.961 122.820 -0.314 0.000 1.855 55 A HA -0.177 4.143 4.320 -0.000 0.000 0.215 55 A C 2.425 179.995 177.584 -0.023 0.000 1.191 55 A CA 1.267 53.202 52.037 -0.170 0.000 0.613 55 A CB -0.506 18.454 19.000 -0.066 0.000 0.829 55 A HN 0.254 nan 8.150 nan 0.000 0.442 56 R N -0.351 120.124 120.500 -0.042 0.000 2.115 56 R HA -0.150 4.190 4.340 -0.000 0.000 0.239 56 R C 2.031 178.289 176.300 -0.071 0.000 1.133 56 R CA 1.772 57.846 56.100 -0.044 0.000 0.935 56 R CB -0.841 29.421 30.300 -0.065 0.000 0.853 56 R HN 0.522 nan 8.270 nan 0.000 0.433 57 L N 0.913 122.069 121.223 -0.111 0.000 2.263 57 L HA -0.218 4.122 4.340 -0.000 0.000 0.216 57 L C 2.408 179.209 176.870 -0.116 0.000 1.111 57 L CA 0.630 55.318 54.840 -0.254 0.000 0.773 57 L CB -0.495 41.314 42.059 -0.417 0.000 0.906 57 L HN 0.234 nan 8.230 nan 0.000 0.439 58 L N 0.138 121.433 121.223 0.119 0.000 2.068 58 L HA -0.011 4.329 4.340 -0.000 0.000 0.204 58 L C 2.653 179.569 176.870 0.076 0.000 1.076 58 L CA 1.875 56.840 54.840 0.207 0.000 0.753 58 L CB -0.582 41.558 42.059 0.135 0.000 0.910 58 L HN 0.090 nan 8.230 nan 0.000 0.439 59 A N -0.809 122.031 122.820 0.033 0.000 1.969 59 A HA -0.223 4.096 4.320 -0.000 0.000 0.218 59 A C 2.409 179.977 177.584 -0.026 0.000 1.169 59 A CA 1.742 53.791 52.037 0.019 0.000 0.635 59 A CB -0.557 18.462 19.000 0.031 0.000 0.810 59 A HN 0.467 nan 8.150 nan 0.000 0.445 60 K N -0.661 119.688 120.400 -0.086 0.000 2.097 60 K HA -0.082 4.238 4.320 -0.000 0.000 0.205 60 K C 1.764 178.308 176.600 -0.093 0.000 1.050 60 K CA 1.180 57.380 56.287 -0.145 0.000 0.938 60 K CB -0.353 32.024 32.500 -0.206 0.000 0.718 60 K HN 0.412 nan 8.250 nan 0.000 0.442 61 G N 0.083 108.854 108.800 -0.047 0.000 2.813 61 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.209 61 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.209 61 G C 1.169 176.115 174.900 0.077 0.000 1.150 61 G CA 0.018 45.130 45.100 0.021 0.000 0.785 61 G HN 0.132 nan 8.290 nan 0.000 0.535 62 L N -0.328 120.945 121.223 0.084 0.000 2.265 62 L HA 0.163 4.503 4.340 -0.000 0.000 0.195 62 L C 2.356 179.418 176.870 0.319 0.000 1.083 62 L CA 0.208 55.158 54.840 0.184 0.000 0.798 62 L CB -0.249 41.827 42.059 0.028 0.000 0.989 62 L HN -0.021 nan 8.230 nan 0.000 0.472 63 N N -0.069 118.769 118.700 0.229 0.000 2.309 63 N HA -0.110 4.630 4.740 -0.000 0.000 0.182 63 N C 0.792 176.361 175.510 0.098 0.000 1.018 63 N CA 0.346 53.517 53.050 0.200 0.000 0.876 63 N CB -0.522 38.076 38.487 0.184 0.000 0.972 63 N HN 0.244 nan 8.380 nan 0.000 0.434 64 C N 2.375 121.697 119.300 0.036 0.000 2.348 64 C HA -0.103 4.356 4.460 -0.000 0.000 0.391 64 C C 1.846 176.852 174.990 0.027 0.000 1.463 64 C CA -0.025 58.997 59.018 0.006 0.000 1.550 64 C CB -0.292 27.441 27.740 -0.013 0.000 2.539 64 C HN 0.466 nan 8.230 nan 0.000 0.588 65 E N 1.444 121.651 120.200 0.012 0.000 2.347 65 E HA -0.099 4.251 4.350 -0.000 0.000 0.196 65 E C 1.588 178.195 176.600 0.011 0.000 1.008 65 E CA 1.303 57.712 56.400 0.014 0.000 0.852 65 E CB 0.029 29.734 29.700 0.009 0.000 0.783 65 E HN 0.835 nan 8.360 nan 0.000 0.505 66 T N 0.405 114.964 114.554 0.008 0.000 3.169 66 T HA 0.265 4.615 4.350 -0.000 0.000 0.250 66 T C 0.480 175.193 174.700 0.021 0.000 1.111 66 T CA 0.375 62.480 62.100 0.009 0.000 1.010 66 T CB 0.429 69.298 68.868 0.001 0.000 0.984 66 T HN 0.396 nan 8.240 nan 0.000 0.537 67 G N 1.520 110.339 108.800 0.032 0.000 2.498 67 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.651 67 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.651 67 G C -0.848 174.097 174.900 0.076 0.000 1.284 67 G CA -1.148 43.982 45.100 0.050 0.000 0.950 67 G HN 0.339 nan 8.290 nan 0.000 0.511 68 I N 2.251 122.883 120.570 0.103 0.000 2.260 68 I HA 0.374 4.544 4.170 -0.000 0.000 0.297 68 I C 0.423 176.599 176.117 0.099 0.000 1.143 68 I CA 0.015 61.397 61.300 0.136 0.000 1.271 68 I CB 0.246 38.363 38.000 0.195 0.000 1.461 68 I HN 0.485 nan 8.210 nan 0.000 0.530 69 T N 3.156 117.760 114.554 0.083 0.000 2.916 69 T HA 0.407 4.757 4.350 -0.000 0.000 0.292 69 T C 0.965 175.724 174.700 0.099 0.000 1.055 69 T CA -0.539 61.605 62.100 0.074 0.000 1.009 69 T CB 2.142 71.039 68.868 0.049 0.000 1.118 69 T HN 0.490 nan 8.240 nan 0.000 0.497 70 A N 0.887 123.780 122.820 0.122 0.000 2.119 70 A HA 0.154 4.474 4.320 -0.000 0.000 0.217 70 A C 1.106 178.786 177.584 0.159 0.000 1.153 70 A CA 0.541 52.716 52.037 0.231 0.000 0.692 70 A CB -0.478 18.634 19.000 0.188 0.000 0.799 70 A HN 0.739 nan 8.150 nan 0.000 0.458 71 T N 1.945 116.535 114.554 0.061 0.000 3.145 71 T HA 0.490 4.839 4.350 -0.000 0.000 0.362 71 T C -2.934 171.745 174.700 -0.036 0.000 1.340 71 T CA -1.426 60.672 62.100 -0.003 0.000 1.069 71 T CB 0.914 69.785 68.868 0.005 0.000 1.129 71 T HN 0.078 nan 8.240 nan 0.000 0.585 72 P HA 0.290 nan 4.420 nan 0.000 0.280 72 P C 0.495 177.740 177.300 -0.092 0.000 1.244 72 P CA -0.843 62.201 63.100 -0.093 0.000 0.784 72 P CB 0.284 31.891 31.700 -0.155 0.000 0.913 73 C N 1.663 120.922 119.300 -0.069 0.000 2.653 73 C HA 0.468 4.928 4.460 -0.000 0.000 0.421 73 C C 1.758 176.697 174.990 -0.086 0.000 1.334 73 C CA 0.341 59.320 59.018 -0.065 0.000 1.885 73 C CB -0.497 27.214 27.740 -0.048 0.000 2.645 73 C HN 0.782 nan 8.230 nan 0.000 0.601 74 G N 1.952 110.700 108.800 -0.087 0.000 2.985 74 G HA2 0.215 4.175 3.960 -0.000 0.000 0.209 74 G HA3 0.215 4.175 3.960 -0.000 0.000 0.209 74 G C 0.901 175.750 174.900 -0.085 0.000 1.165 74 G CA 0.811 45.852 45.100 -0.099 0.000 0.776 74 G HN 1.400 nan 8.290 nan 0.000 0.541 75 V N -1.586 118.286 119.914 -0.069 0.000 3.379 75 V HA 0.165 4.285 4.120 -0.000 0.000 0.249 75 V C 1.839 177.904 176.094 -0.048 0.000 1.184 75 V CA -0.407 61.860 62.300 -0.056 0.000 1.106 75 V CB -1.180 30.616 31.823 -0.045 0.000 0.826 75 V HN 0.381 nan 8.190 nan 0.000 0.465 76 C N 1.834 121.104 119.300 -0.048 0.000 2.746 76 C HA 0.072 4.532 4.460 -0.000 0.000 0.403 76 C C 1.806 176.775 174.990 -0.036 0.000 1.270 76 C CA 0.716 59.712 59.018 -0.037 0.000 1.978 76 C CB -0.038 27.681 27.740 -0.035 0.000 2.724 76 C HN 0.608 nan 8.230 nan 0.000 0.678 77 D N 1.278 121.671 120.400 -0.012 0.000 2.263 77 D HA -0.090 4.550 4.640 -0.000 0.000 0.208 77 D C 1.761 178.068 176.300 0.011 0.000 0.971 77 D CA 1.266 55.271 54.000 0.009 0.000 0.867 77 D CB -0.158 40.663 40.800 0.035 0.000 0.929 77 D HN 0.641 nan 8.370 nan 0.000 0.492 78 N N 0.013 118.694 118.700 -0.031 0.000 2.132 78 N HA -0.081 4.659 4.740 -0.000 0.000 0.187 78 N C 2.059 177.360 175.510 -0.349 0.000 1.038 78 N CA 0.554 53.502 53.050 -0.170 0.000 0.846 78 N CB -0.692 37.711 38.487 -0.140 0.000 1.012 78 N HN 0.186 nan 8.380 nan 0.000 0.429 79 C N 1.520 120.680 119.300 -0.232 0.000 2.376 79 C HA -0.108 4.352 4.460 -0.000 0.000 0.275 79 C C 2.709 177.587 174.990 -0.186 0.000 1.200 79 C CA 0.575 59.460 59.018 -0.220 0.000 1.756 79 C CB -1.149 26.498 27.740 -0.154 0.000 2.050 79 C HN 0.488 nan 8.230 nan 0.000 0.460 80 R N 0.772 121.197 120.500 -0.124 0.000 2.113 80 R HA -0.192 4.148 4.340 -0.000 0.000 0.244 80 R C 2.049 178.306 176.300 -0.073 0.000 1.142 80 R CA 1.929 57.979 56.100 -0.084 0.000 0.953 80 R CB -0.415 29.856 30.300 -0.049 0.000 0.860 80 R HN 0.692 nan 8.270 nan 0.000 0.438 81 E N 0.141 120.300 120.200 -0.069 0.000 2.208 81 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 81 E C 1.976 178.541 176.600 -0.057 0.000 0.988 81 E CA 0.719 57.123 56.400 0.007 0.000 0.828 81 E CB 0.021 29.837 29.700 0.194 0.000 0.763 81 E HN 0.357 nan 8.360 nan 0.000 0.478 82 I N 0.879 121.288 120.570 -0.269 0.000 2.133 82 I HA -0.229 3.941 4.170 -0.000 0.000 0.238 82 I C 2.551 178.595 176.117 -0.121 0.000 1.074 82 I CA 1.045 62.185 61.300 -0.267 0.000 1.342 82 I CB -0.064 37.699 38.000 -0.395 0.000 1.053 82 I HN 0.030 nan 8.210 nan 0.000 0.404 83 E N 1.108 121.232 120.200 -0.126 0.000 2.118 83 E HA -0.259 4.091 4.350 -0.000 0.000 0.195 83 E C 2.125 178.694 176.600 -0.050 0.000 0.992 83 E CA 1.551 57.898 56.400 -0.089 0.000 0.804 83 E CB -0.145 29.494 29.700 -0.101 0.000 0.741 83 E HN 0.400 nan 8.360 nan 0.000 0.458 84 Q N -1.170 118.607 119.800 -0.038 0.000 2.226 84 Q HA -0.030 4.309 4.340 -0.000 0.000 0.204 84 Q C 0.873 176.876 176.000 0.005 0.000 0.975 84 Q CA 0.923 56.718 55.803 -0.013 0.000 0.866 84 Q CB 0.005 28.742 28.738 -0.002 0.000 0.915 84 Q HN 0.467 nan 8.270 nan 0.000 0.440 85 G N 1.049 109.856 108.800 0.012 0.000 2.165 85 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.226 85 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.226 85 G C -0.094 174.841 174.900 0.059 0.000 1.035 85 G CA -0.043 45.077 45.100 0.033 0.000 0.744 85 G HN 0.216 nan 8.290 nan 0.000 0.501 86 R N -0.585 119.966 120.500 0.085 0.000 2.687 86 R HA 0.457 4.797 4.340 -0.000 0.000 0.264 86 R C -1.246 175.171 176.300 0.196 0.000 1.715 86 R CA -0.561 55.601 56.100 0.103 0.000 1.633 86 R CB 0.238 30.579 30.300 0.069 0.000 1.353 86 R HN 0.132 nan 8.270 nan 0.000 0.653 87 F N 0.753 120.696 119.950 -0.012 0.000 2.508 87 F HA 0.280 4.807 4.527 -0.000 0.000 0.325 87 F C 0.997 176.783 175.800 -0.023 0.000 1.090 87 F CA -0.957 57.032 58.000 -0.017 0.000 0.945 87 F CB 1.728 40.717 39.000 -0.018 0.000 1.156 87 F HN -0.076 nan 8.300 nan 0.000 0.463 88 V N 2.613 122.180 119.914 -0.578 0.000 2.307 88 V HA -0.196 3.923 4.120 -0.000 0.000 0.245 88 V C 1.399 177.240 176.094 -0.422 0.000 1.045 88 V CA 2.103 64.137 62.300 -0.443 0.000 1.024 88 V CB -0.366 31.194 31.823 -0.438 0.000 0.651 88 V HN 0.680 nan 8.190 nan 0.000 0.449 89 D N -0.349 119.652 120.400 -0.666 0.000 2.323 89 D HA 0.067 4.707 4.640 -0.000 0.000 0.209 89 D C 0.774 177.022 176.300 -0.086 0.000 0.973 89 D CA 0.357 54.180 54.000 -0.296 0.000 0.874 89 D CB 0.221 40.912 40.800 -0.183 0.000 0.930 89 D HN 0.301 nan 8.370 nan 0.000 0.521 90 L N 1.936 123.232 121.223 0.122 0.000 2.352 90 L HA 0.308 4.648 4.340 -0.000 0.000 0.272 90 L C -0.534 176.353 176.870 0.028 0.000 1.109 90 L CA -0.292 54.632 54.840 0.141 0.000 0.952 90 L CB -0.182 42.052 42.059 0.291 0.000 1.314 90 L HN -0.177 nan 8.230 nan 0.000 0.427 91 I N 3.554 124.054 120.570 -0.116 0.000 2.416 91 I HA 0.201 4.371 4.170 -0.000 0.000 0.288 91 I C 0.144 176.301 176.117 0.067 0.000 1.051 91 I CA -0.168 61.097 61.300 -0.058 0.000 1.375 91 I CB 0.719 38.623 38.000 -0.159 0.000 1.407 91 I HN 0.519 nan 8.210 nan 0.000 0.516 92 E N 6.915 127.172 120.200 0.095 0.000 2.145 92 E HA 0.542 4.892 4.350 -0.000 0.000 0.270 92 E C -1.227 175.450 176.600 0.128 0.000 0.906 92 E CA -0.645 55.827 56.400 0.119 0.000 0.761 92 E CB 2.059 31.815 29.700 0.092 0.000 1.116 92 E HN 0.361 nan 8.360 nan 0.000 0.408 93 I N 2.068 122.727 120.570 0.149 0.000 2.410 93 I HA 0.154 4.324 4.170 -0.000 0.000 0.286 93 I C -0.625 175.560 176.117 0.113 0.000 1.009 93 I CA -0.637 60.742 61.300 0.131 0.000 1.111 93 I CB 1.626 39.715 38.000 0.148 0.000 1.262 93 I HN 0.371 nan 8.210 nan 0.000 0.443 94 D N 4.840 125.295 120.400 0.092 0.000 2.359 94 D HA 0.502 5.142 4.640 -0.000 0.000 0.230 94 D C 0.899 177.243 176.300 0.073 0.000 1.118 94 D CA -0.294 53.756 54.000 0.083 0.000 0.844 94 D CB 1.574 42.416 40.800 0.070 0.000 1.059 94 D HN 0.649 nan 8.370 nan 0.000 0.493 95 A N 3.459 126.325 122.820 0.078 0.000 2.239 95 A HA 0.223 4.542 4.320 -0.000 0.000 0.209 95 A C 1.790 179.394 177.584 0.033 0.000 1.171 95 A CA 0.937 53.009 52.037 0.060 0.000 0.768 95 A CB -0.235 18.809 19.000 0.073 0.000 0.790 95 A HN 0.613 nan 8.150 nan 0.000 0.478 96 A N 0.049 122.892 122.820 0.039 0.000 2.147 96 A HA 0.296 4.616 4.320 -0.000 0.000 0.211 96 A C 1.400 178.999 177.584 0.023 0.000 1.160 96 A CA 0.705 52.756 52.037 0.024 0.000 0.781 96 A CB -0.407 18.616 19.000 0.037 0.000 0.842 96 A HN 0.696 nan 8.150 nan 0.000 0.475 97 S N -0.554 115.165 115.700 0.032 0.000 2.545 97 S HA 0.430 4.899 4.470 -0.000 0.000 0.275 97 S C 0.456 175.073 174.600 0.027 0.000 1.299 97 S CA -0.624 57.594 58.200 0.030 0.000 1.048 97 S CB 1.152 64.374 63.200 0.036 0.000 0.938 97 S HN 0.406 nan 8.310 nan 0.000 0.496 98 R N 0.962 121.476 120.500 0.024 0.000 2.300 98 R HA 0.105 4.445 4.340 -0.000 0.000 0.199 98 R C 0.095 176.411 176.300 0.027 0.000 0.920 98 R CA 0.358 56.472 56.100 0.023 0.000 1.046 98 R CB 0.038 30.349 30.300 0.018 0.000 0.984 98 R HN 0.622 nan 8.270 nan 0.000 0.493 99 T N 1.311 115.882 114.554 0.029 0.000 3.316 99 T HA 0.202 4.552 4.350 -0.000 0.000 0.253 99 T C -0.282 174.438 174.700 0.035 0.000 0.995 99 T CA -0.265 61.853 62.100 0.030 0.000 1.031 99 T CB 0.281 69.165 68.868 0.026 0.000 1.125 99 T HN 0.014 nan 8.240 nan 0.000 0.539 100 K N 0.643 121.066 120.400 0.039 0.000 2.237 100 K HA 0.348 4.668 4.320 -0.000 0.000 0.270 100 K C 1.067 177.694 176.600 0.045 0.000 1.015 100 K CA -0.527 55.787 56.287 0.045 0.000 0.949 100 K CB 1.225 33.756 32.500 0.052 0.000 0.976 100 K HN -0.083 nan 8.250 nan 0.000 0.472 101 V N 1.801 121.742 119.914 0.046 0.000 2.214 101 V HA -0.224 3.896 4.120 -0.000 0.000 0.244 101 V C 0.481 176.605 176.094 0.049 0.000 1.045 101 V CA 1.562 63.888 62.300 0.044 0.000 0.993 101 V CB -0.245 31.604 31.823 0.043 0.000 0.633 101 V HN 0.751 nan 8.190 nan 0.000 0.449 102 E N 0.578 120.813 120.200 0.057 0.000 2.183 102 E HA 0.221 4.571 4.350 -0.000 0.000 0.250 102 E C -1.220 175.422 176.600 0.070 0.000 0.901 102 E CA -0.517 55.922 56.400 0.064 0.000 0.741 102 E CB 0.679 30.420 29.700 0.068 0.000 1.182 102 E HN 0.442 nan 8.360 nan 0.000 0.425 103 D N 1.659 122.099 120.400 0.067 0.000 2.515 103 D HA -0.090 4.550 4.640 -0.000 0.000 0.232 103 D C 1.271 177.601 176.300 0.051 0.000 1.157 103 D CA 0.510 54.546 54.000 0.061 0.000 0.871 103 D CB 0.625 41.463 40.800 0.063 0.000 1.200 103 D HN 0.345 nan 8.370 nan 0.000 0.466 104 T N 1.181 115.757 114.554 0.037 0.000 2.780 104 T HA -0.369 3.981 4.350 -0.000 0.000 0.255 104 T C 1.755 176.445 174.700 -0.016 0.000 1.065 104 T CA 2.040 64.148 62.100 0.013 0.000 1.155 104 T CB -0.204 68.653 68.868 -0.017 0.000 0.837 104 T HN 0.476 nan 8.240 nan 0.000 0.479 105 R N 0.973 121.446 120.500 -0.045 0.000 2.091 105 R HA -0.161 4.179 4.340 -0.000 0.000 0.238 105 R C 1.693 178.019 176.300 0.044 0.000 1.136 105 R CA 2.082 58.162 56.100 -0.034 0.000 0.959 105 R CB -0.330 29.983 30.300 0.022 0.000 0.856 105 R HN 0.469 nan 8.270 nan 0.000 0.437 106 D N 0.211 120.653 120.400 0.071 0.000 2.249 106 D HA -0.062 4.578 4.640 -0.000 0.000 0.205 106 D C 1.938 178.300 176.300 0.104 0.000 0.962 106 D CA 0.669 54.721 54.000 0.088 0.000 0.860 106 D CB 0.030 40.882 40.800 0.087 0.000 0.955 106 D HN 0.291 nan 8.370 nan 0.000 0.505 107 L N 0.176 121.464 121.223 0.109 0.000 2.341 107 L HA 0.063 4.403 4.340 -0.000 0.000 0.214 107 L C 2.079 179.050 176.870 0.168 0.000 1.115 107 L CA 0.324 55.267 54.840 0.173 0.000 0.820 107 L CB 0.055 42.235 42.059 0.201 0.000 0.944 107 L HN -0.052 nan 8.230 nan 0.000 0.452 108 L N -0.695 120.553 121.223 0.041 0.000 2.592 108 L HA -0.040 4.300 4.340 -0.000 0.000 0.227 108 L C 1.636 178.500 176.870 -0.010 0.000 1.127 108 L CA 0.199 54.996 54.840 -0.071 0.000 0.884 108 L CB -0.068 41.916 42.059 -0.126 0.000 1.065 108 L HN 0.210 nan 8.230 nan 0.000 0.457 109 D N 0.332 120.764 120.400 0.052 0.000 2.123 109 D HA -0.163 4.477 4.640 -0.000 0.000 0.200 109 D C 1.763 178.110 176.300 0.077 0.000 0.976 109 D CA 0.988 55.025 54.000 0.061 0.000 0.831 109 D CB 0.268 41.123 40.800 0.093 0.000 0.974 109 D HN 0.095 nan 8.370 nan 0.000 0.469 110 N N 0.143 118.949 118.700 0.177 0.000 2.550 110 N HA -0.076 4.664 4.740 -0.000 0.000 0.186 110 N C 1.701 177.336 175.510 0.209 0.000 1.110 110 N CA 0.062 53.295 53.050 0.305 0.000 0.912 110 N CB 0.277 39.001 38.487 0.395 0.000 0.968 110 N HN 0.143 nan 8.380 nan 0.000 0.448 111 V N 2.083 122.086 119.914 0.147 0.000 2.233 111 V HA -0.338 3.782 4.120 -0.000 0.000 0.256 111 V C 2.105 178.288 176.094 0.148 0.000 1.069 111 V CA 1.898 64.293 62.300 0.159 0.000 1.054 111 V CB -0.547 31.298 31.823 0.038 0.000 0.664 111 V HN 0.469 nan 8.190 nan 0.000 0.453 112 Q N -1.754 118.027 119.800 -0.031 0.000 2.561 112 Q HA -0.080 4.260 4.340 -0.000 0.000 0.217 112 Q C 0.057 176.102 176.000 0.075 0.000 0.980 112 Q CA 0.483 56.285 55.803 -0.002 0.000 0.927 112 Q CB -0.190 28.464 28.738 -0.140 0.000 0.980 112 Q HN 0.694 nan 8.270 nan 0.000 0.525 113 Y N 0.230 120.657 120.300 0.212 0.000 2.301 113 Y HA 0.315 4.865 4.550 -0.000 0.000 0.325 113 Y C 0.765 176.619 175.900 -0.077 0.000 1.203 113 Y CA -1.152 56.985 58.100 0.061 0.000 1.255 113 Y CB 0.674 39.161 38.460 0.045 0.000 1.232 113 Y HN -0.007 nan 8.280 nan 0.000 0.501 114 A N 4.650 127.437 122.820 -0.055 0.000 2.483 114 A HA 0.188 4.508 4.320 -0.000 0.000 0.238 114 A C -2.325 175.189 177.584 -0.116 0.000 1.070 114 A CA -1.209 50.662 52.037 -0.276 0.000 0.770 114 A CB -0.548 18.331 19.000 -0.202 0.000 1.008 114 A HN 0.481 nan 8.150 nan 0.000 0.497 115 P HA 0.285 nan 4.420 nan 0.000 0.281 115 P C 0.609 177.853 177.300 -0.092 0.000 1.286 115 P CA 0.345 63.406 63.100 -0.064 0.000 0.772 115 P CB 1.317 33.007 31.700 -0.018 0.000 0.862 116 A N 6.014 128.764 122.820 -0.117 0.000 1.859 116 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 116 A C 1.046 178.564 177.584 -0.111 0.000 1.198 116 A CA 1.314 53.276 52.037 -0.124 0.000 0.629 116 A CB -0.440 18.466 19.000 -0.157 0.000 0.830 116 A HN 0.585 nan 8.150 nan 0.000 0.446 117 R N -1.447 118.969 120.500 -0.140 0.000 2.407 117 R HA 0.517 4.857 4.340 -0.000 0.000 0.298 117 R C -0.278 176.051 176.300 0.049 0.000 1.166 117 R CA 0.349 56.419 56.100 -0.051 0.000 1.006 117 R CB 1.184 31.457 30.300 -0.046 0.000 1.145 117 R HN 0.810 nan 8.270 nan 0.000 0.538 118 G N 1.127 109.954 108.800 0.045 0.000 2.340 118 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.527 118 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.527 118 G C -0.043 174.841 174.900 -0.025 0.000 1.381 118 G CA -1.038 44.111 45.100 0.082 0.000 1.001 118 G HN 0.520 nan 8.290 nan 0.000 0.626 119 R N -0.830 119.615 120.500 -0.092 0.000 2.119 119 R HA 0.259 4.599 4.340 -0.000 0.000 0.222 119 R C 0.282 176.186 176.300 -0.659 0.000 1.088 119 R CA 1.031 56.875 56.100 -0.428 0.000 0.984 119 R CB 0.056 29.995 30.300 -0.601 0.000 0.884 119 R HN 0.291 nan 8.270 nan 0.000 0.447 120 F N 0.128 120.136 119.950 0.096 0.000 2.588 120 F HA 0.377 4.904 4.527 -0.000 0.000 0.314 120 F C 0.034 175.878 175.800 0.073 0.000 1.069 120 F CA -1.273 56.783 58.000 0.094 0.000 0.931 120 F CB 1.771 40.822 39.000 0.085 0.000 1.260 120 F HN -0.359 nan 8.300 nan 0.000 0.465 121 K N 2.588 123.137 120.400 0.249 0.000 2.432 121 K HA 0.517 4.837 4.320 -0.000 0.000 0.226 121 K C -1.362 175.206 176.600 -0.053 0.000 1.057 121 K CA -0.234 56.090 56.287 0.062 0.000 1.034 121 K CB 0.462 33.017 32.500 0.092 0.000 1.561 121 K HN 0.525 nan 8.250 nan 0.000 0.492 122 V N 3.664 123.568 119.914 -0.016 0.000 2.715 122 V HA 0.074 4.194 4.120 -0.000 0.000 0.299 122 V C -0.353 175.636 176.094 -0.175 0.000 1.054 122 V CA -0.102 62.177 62.300 -0.036 0.000 1.077 122 V CB 0.223 32.087 31.823 0.068 0.000 0.972 122 V HN 0.462 nan 8.190 nan 0.000 0.484 123 Y N 4.263 124.555 120.300 -0.012 0.000 2.388 123 Y HA 0.504 5.054 4.550 -0.000 0.000 0.328 123 Y C -0.195 175.809 175.900 0.173 0.000 0.963 123 Y CA -0.636 57.514 58.100 0.085 0.000 1.240 123 Y CB 1.653 40.183 38.460 0.118 0.000 1.118 123 Y HN 0.504 nan 8.280 nan 0.000 0.484 124 L N 6.326 127.711 121.223 0.271 0.000 2.259 124 L HA 0.537 4.877 4.340 -0.000 0.000 0.288 124 L C -0.948 176.062 176.870 0.234 0.000 1.051 124 L CA -0.457 54.528 54.840 0.241 0.000 0.824 124 L CB -0.064 42.097 42.059 0.169 0.000 1.206 124 L HN 0.448 nan 8.230 nan 0.000 0.429 125 I N 4.093 124.806 120.570 0.239 0.000 2.355 125 I HA 0.279 4.449 4.170 -0.000 0.000 0.288 125 I C -0.573 175.645 176.117 0.168 0.000 0.999 125 I CA -0.683 60.731 61.300 0.190 0.000 1.163 125 I CB 1.512 39.610 38.000 0.164 0.000 1.316 125 I HN 0.493 nan 8.210 nan 0.000 0.454 126 D N 6.929 127.417 120.400 0.146 0.000 2.249 126 D HA 0.157 4.797 4.640 -0.000 0.000 0.246 126 D C -0.079 176.310 176.300 0.149 0.000 1.114 126 D CA 0.379 54.462 54.000 0.138 0.000 0.854 126 D CB 0.738 41.605 40.800 0.111 0.000 1.132 126 D HN 0.409 nan 8.370 nan 0.000 0.461 127 E N 2.278 122.588 120.200 0.182 0.000 2.298 127 E HA -0.140 4.210 4.350 -0.000 0.000 0.235 127 E C 1.323 178.111 176.600 0.313 0.000 1.167 127 E CA 0.751 57.322 56.400 0.284 0.000 0.708 127 E CB -2.048 27.790 29.700 0.230 0.000 1.236 127 E HN 0.456 nan 8.360 nan 0.000 0.386 128 V N -0.908 119.175 119.914 0.282 0.000 2.568 128 V HA -0.306 3.814 4.120 -0.000 0.000 0.253 128 V C 2.325 178.648 176.094 0.380 0.000 1.072 128 V CA 2.234 64.680 62.300 0.243 0.000 1.084 128 V CB -0.859 31.045 31.823 0.134 0.000 0.676 128 V HN 0.593 nan 8.190 nan 0.000 0.469 129 H N -0.596 118.577 119.070 0.172 0.000 2.559 129 H HA 0.121 4.677 4.556 -0.000 0.000 0.273 129 H C 1.642 177.018 175.328 0.081 0.000 1.000 129 H CA 1.044 57.185 56.048 0.156 0.000 1.195 129 H CB -0.445 29.366 29.762 0.083 0.000 1.368 129 H HN 0.404 nan 8.280 nan 0.000 0.592 130 M N 0.928 120.377 119.600 -0.252 0.000 2.495 130 M HA 0.205 4.685 4.480 -0.000 0.000 0.237 130 M C 0.459 176.723 176.300 -0.060 0.000 1.131 130 M CA -0.130 55.014 55.300 -0.261 0.000 1.032 130 M CB 0.049 32.498 32.600 -0.251 0.000 1.513 130 M HN 0.116 nan 8.290 nan 0.000 0.488 131 L N 1.789 123.061 121.223 0.083 0.000 2.485 131 L HA 0.024 4.364 4.340 -0.000 0.000 0.275 131 L C 1.033 177.937 176.870 0.056 0.000 1.207 131 L CA -0.255 54.674 54.840 0.148 0.000 0.855 131 L CB 0.338 42.628 42.059 0.386 0.000 1.114 131 L HN 0.270 nan 8.230 nan 0.000 0.485 132 S N 3.063 118.784 115.700 0.034 0.000 2.549 132 S HA 0.147 4.617 4.470 -0.000 0.000 0.279 132 S C 1.150 175.758 174.600 0.013 0.000 1.321 132 S CA -0.641 57.563 58.200 0.006 0.000 1.054 132 S CB 0.999 64.219 63.200 0.034 0.000 0.899 132 S HN 0.639 nan 8.310 nan 0.000 0.497 133 R N 1.603 122.095 120.500 -0.013 0.000 2.134 133 R HA -0.225 4.115 4.340 -0.000 0.000 0.248 133 R C 2.284 178.639 176.300 0.092 0.000 1.143 133 R CA 2.189 58.294 56.100 0.008 0.000 0.957 133 R CB -1.046 29.242 30.300 -0.019 0.000 0.867 133 R HN 0.990 nan 8.270 nan 0.000 0.441 134 H N 0.361 119.459 119.070 0.047 0.000 2.518 134 H HA 0.013 4.569 4.556 -0.000 0.000 0.289 134 H C 1.548 176.908 175.328 0.053 0.000 1.051 134 H CA 1.571 57.646 56.048 0.044 0.000 1.280 134 H CB 0.032 29.808 29.762 0.024 0.000 1.380 134 H HN 0.288 nan 8.280 nan 0.000 0.566 135 S N -0.249 115.215 115.700 -0.393 0.000 2.456 135 S HA -0.063 4.407 4.470 -0.000 0.000 0.224 135 S C 2.036 176.578 174.600 -0.096 0.000 1.035 135 S CA -0.076 57.951 58.200 -0.288 0.000 0.940 135 S CB -0.912 62.103 63.200 -0.308 0.000 0.799 135 S HN 0.269 nan 8.310 nan 0.000 0.508 136 F N 4.887 124.741 119.950 -0.160 0.000 2.063 136 F HA -0.248 4.279 4.527 -0.000 0.000 0.298 136 F C 2.068 177.801 175.800 -0.112 0.000 1.109 136 F CA 2.314 60.242 58.000 -0.119 0.000 1.212 136 F CB -0.632 38.318 39.000 -0.082 0.000 0.973 136 F HN 0.367 nan 8.300 nan 0.000 0.480 137 N N 0.463 119.227 118.700 0.106 0.000 2.309 137 N HA -0.096 4.644 4.740 -0.000 0.000 0.182 137 N C 1.667 177.140 175.510 -0.063 0.000 1.018 137 N CA 1.093 54.158 53.050 0.024 0.000 0.876 137 N CB -1.158 37.361 38.487 0.053 0.000 0.972 137 N HN 0.292 nan 8.380 nan 0.000 0.434 138 A N 1.110 123.883 122.820 -0.077 0.000 1.986 138 A HA -0.064 4.255 4.320 -0.000 0.000 0.220 138 A C 2.162 179.644 177.584 -0.171 0.000 1.171 138 A CA 0.997 52.974 52.037 -0.100 0.000 0.640 138 A CB -0.827 18.117 19.000 -0.094 0.000 0.811 138 A HN 0.318 nan 8.150 nan 0.000 0.451 139 L N -0.815 120.248 121.223 -0.267 0.000 2.093 139 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 139 L C 2.307 178.987 176.870 -0.317 0.000 1.085 139 L CA 0.800 55.397 54.840 -0.406 0.000 0.755 139 L CB -0.470 41.245 42.059 -0.574 0.000 0.904 139 L HN 0.361 nan 8.230 nan 0.000 0.435 140 L N -0.062 121.025 121.223 -0.227 0.000 2.362 140 L HA -0.170 4.169 4.340 -0.000 0.000 0.219 140 L C 2.572 179.376 176.870 -0.109 0.000 1.134 140 L CA 0.943 55.691 54.840 -0.153 0.000 0.807 140 L CB -0.493 41.507 42.059 -0.098 0.000 0.927 140 L HN 0.329 nan 8.230 nan 0.000 0.447 141 K N 0.071 120.410 120.400 -0.103 0.000 2.062 141 K HA -0.108 4.212 4.320 -0.000 0.000 0.205 141 K C 1.885 178.438 176.600 -0.079 0.000 1.051 141 K CA 1.588 57.831 56.287 -0.073 0.000 0.941 141 K CB 0.162 32.626 32.500 -0.060 0.000 0.719 141 K HN 0.191 nan 8.250 nan 0.000 0.440 142 T N 1.734 116.228 114.554 -0.101 0.000 2.894 142 T HA 0.012 4.362 4.350 -0.000 0.000 0.258 142 T C 1.859 176.508 174.700 -0.084 0.000 1.043 142 T CA 0.529 62.585 62.100 -0.074 0.000 1.141 142 T CB -0.096 68.756 68.868 -0.027 0.000 0.873 142 T HN 0.104 nan 8.240 nan 0.000 0.449 143 L N 0.802 121.941 121.223 -0.141 0.000 2.043 143 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 143 L C 2.583 179.411 176.870 -0.070 0.000 1.075 143 L CA 1.636 56.409 54.840 -0.112 0.000 0.752 143 L CB -0.392 41.566 42.059 -0.169 0.000 0.891 143 L HN 0.338 nan 8.230 nan 0.000 0.432 144 E N -0.727 119.431 120.200 -0.070 0.000 2.435 144 E HA -0.048 4.302 4.350 -0.000 0.000 0.195 144 E C -0.029 176.527 176.600 -0.072 0.000 1.029 144 E CA 0.366 56.737 56.400 -0.047 0.000 0.865 144 E CB 0.406 30.084 29.700 -0.036 0.000 0.833 144 E HN 0.438 nan 8.360 nan 0.000 0.510 145 E N 0.872 121.013 120.200 -0.098 0.000 3.832 145 E HA 0.139 4.489 4.350 -0.000 0.000 0.250 145 E C -2.620 173.909 176.600 -0.119 0.000 1.215 145 E CA -1.136 55.201 56.400 -0.105 0.000 1.179 145 E CB 1.365 31.026 29.700 -0.065 0.000 1.270 145 E HN 0.082 nan 8.360 nan 0.000 0.405 146 P HA 0.317 nan 4.420 nan 0.000 0.286 146 P C -2.311 174.890 177.300 -0.165 0.000 1.261 146 P CA -1.418 61.602 63.100 -0.134 0.000 0.821 146 P CB 0.989 32.628 31.700 -0.103 0.000 1.013 147 P HA 0.119 nan 4.420 nan 0.000 0.271 147 P C 0.583 177.748 177.300 -0.225 0.000 1.244 147 P CA 0.056 63.019 63.100 -0.229 0.000 0.793 147 P CB 1.046 32.487 31.700 -0.432 0.000 0.984 148 E N -0.372 119.755 120.200 -0.122 0.000 2.107 148 E HA -0.190 4.160 4.350 -0.000 0.000 0.191 148 E C 1.789 178.432 176.600 0.071 0.000 0.982 148 E CA 1.262 57.668 56.400 0.010 0.000 0.809 148 E CB -0.694 29.050 29.700 0.073 0.000 0.756 148 E HN 0.684 nan 8.360 nan 0.000 0.459 149 H N -1.058 118.064 119.070 0.087 0.000 2.547 149 H HA 0.155 4.711 4.556 -0.000 0.000 0.272 149 H C 0.295 175.737 175.328 0.190 0.000 0.989 149 H CA 0.015 56.121 56.048 0.097 0.000 1.214 149 H CB -0.091 29.682 29.762 0.019 0.000 1.389 149 H HN -0.123 nan 8.280 nan 0.000 0.577 150 V N 1.529 121.356 119.914 -0.145 0.000 2.612 150 V HA 0.331 4.451 4.120 -0.000 0.000 0.301 150 V C -0.047 175.981 176.094 -0.110 0.000 1.046 150 V CA -0.929 61.307 62.300 -0.107 0.000 0.946 150 V CB 1.740 33.415 31.823 -0.248 0.000 1.003 150 V HN 0.273 nan 8.190 nan 0.000 0.459 151 K N 2.820 123.098 120.400 -0.204 0.000 2.464 151 K HA 0.589 4.909 4.320 -0.000 0.000 0.253 151 K C -1.627 174.795 176.600 -0.296 0.000 0.933 151 K CA -0.397 55.797 56.287 -0.155 0.000 0.801 151 K CB 2.421 34.882 32.500 -0.064 0.000 1.271 151 K HN 0.434 nan 8.250 nan 0.000 0.430 152 F N 2.297 122.355 119.950 0.180 0.000 2.449 152 F HA 0.459 4.986 4.527 -0.000 0.000 0.342 152 F C 0.111 176.032 175.800 0.202 0.000 1.127 152 F CA -0.767 57.340 58.000 0.177 0.000 0.975 152 F CB 1.155 40.199 39.000 0.073 0.000 1.146 152 F HN 0.073 nan 8.300 nan 0.000 0.444 153 L N 5.684 127.149 121.223 0.403 0.000 2.294 153 L HA 0.566 4.906 4.340 -0.000 0.000 0.283 153 L C -0.784 176.294 176.870 0.347 0.000 1.015 153 L CA -0.478 54.597 54.840 0.391 0.000 0.831 153 L CB 1.056 43.336 42.059 0.370 0.000 1.217 153 L HN 0.500 nan 8.230 nan 0.000 0.420 154 L N 2.961 124.356 121.223 0.286 0.000 2.330 154 L HA 0.945 5.285 4.340 -0.000 0.000 0.271 154 L C 0.003 177.034 176.870 0.268 0.000 1.013 154 L CA -0.596 54.371 54.840 0.212 0.000 0.816 154 L CB 1.981 44.094 42.059 0.090 0.000 1.287 154 L HN 0.680 nan 8.230 nan 0.000 0.435 155 A N 0.898 123.846 122.820 0.213 0.000 2.486 155 A HA 0.808 5.128 4.320 -0.000 0.000 0.300 155 A C -0.785 176.871 177.584 0.120 0.000 1.048 155 A CA -0.497 51.660 52.037 0.199 0.000 0.696 155 A CB 2.183 21.297 19.000 0.190 0.000 1.278 155 A HN 0.582 nan 8.150 nan 0.000 0.405 156 T N 0.059 114.643 114.554 0.049 0.000 3.097 156 T HA 0.420 4.770 4.350 -0.000 0.000 0.332 156 T C 0.644 175.260 174.700 -0.139 0.000 1.269 156 T CA 0.395 62.455 62.100 -0.066 0.000 1.076 156 T CB 1.249 70.021 68.868 -0.161 0.000 1.209 156 T HN 0.581 nan 8.240 nan 0.000 0.474 157 T N 2.851 117.308 114.554 -0.163 0.000 2.995 157 T HA 0.099 4.449 4.350 -0.000 0.000 0.269 157 T C 0.136 174.741 174.700 -0.157 0.000 1.091 157 T CA 1.035 63.075 62.100 -0.099 0.000 1.128 157 T CB -0.184 68.686 68.868 0.003 0.000 0.891 157 T HN 0.618 nan 8.240 nan 0.000 0.492 158 D N -0.407 119.778 120.400 -0.358 0.000 2.602 158 D HA 0.313 4.953 4.640 -0.000 0.000 0.245 158 D C -2.269 173.872 176.300 -0.266 0.000 1.325 158 D CA -1.985 51.866 54.000 -0.248 0.000 0.952 158 D CB 1.978 42.691 40.800 -0.146 0.000 1.317 158 D HN -0.195 nan 8.370 nan 0.000 0.577 159 P HA -0.059 nan 4.420 nan 0.000 0.218 159 P C 1.048 178.336 177.300 -0.019 0.000 1.152 159 P CA 0.828 63.887 63.100 -0.069 0.000 0.826 159 P CB 0.335 32.012 31.700 -0.038 0.000 0.790 160 Q N 0.074 119.870 119.800 -0.007 0.000 2.325 160 Q HA -0.181 4.159 4.340 -0.000 0.000 0.211 160 Q C 1.347 177.366 176.000 0.032 0.000 0.988 160 Q CA 1.416 57.227 55.803 0.014 0.000 0.887 160 Q CB -0.656 28.092 28.738 0.017 0.000 0.915 160 Q HN 0.311 nan 8.270 nan 0.000 0.440 161 K N -0.154 120.280 120.400 0.056 0.000 2.437 161 K HA 0.168 4.488 4.320 -0.000 0.000 0.198 161 K C -0.484 176.180 176.600 0.107 0.000 1.024 161 K CA -0.033 56.311 56.287 0.094 0.000 1.148 161 K CB 0.381 32.993 32.500 0.187 0.000 0.860 161 K HN 0.135 nan 8.250 nan 0.000 0.515 162 L N 3.136 124.422 121.223 0.105 0.000 2.287 162 L HA 0.324 4.664 4.340 -0.000 0.000 0.287 162 L C -2.106 174.829 176.870 0.107 0.000 1.022 162 L CA -2.300 52.637 54.840 0.161 0.000 0.814 162 L CB 1.272 43.419 42.059 0.147 0.000 1.217 162 L HN -0.058 nan 8.230 nan 0.000 0.420 163 P HA -0.008 nan 4.420 nan 0.000 0.269 163 P C 0.904 178.242 177.300 0.063 0.000 1.209 163 P CA -0.293 62.856 63.100 0.081 0.000 0.776 163 P CB 1.149 32.911 31.700 0.103 0.000 0.876 164 V N 1.696 121.627 119.914 0.028 0.000 2.828 164 V HA -0.229 3.891 4.120 -0.000 0.000 0.260 164 V C 2.523 178.617 176.094 -0.001 0.000 1.101 164 V CA 2.388 64.691 62.300 0.006 0.000 1.123 164 V CB -2.338 29.483 31.823 -0.003 0.000 0.704 164 V HN 0.704 nan 8.190 nan 0.000 0.493 165 T N -1.298 113.265 114.554 0.015 0.000 2.788 165 T HA -0.092 4.258 4.350 -0.000 0.000 0.268 165 T C 1.785 176.469 174.700 -0.028 0.000 1.044 165 T CA 1.644 63.744 62.100 -0.000 0.000 1.139 165 T CB -0.263 68.617 68.868 0.020 0.000 0.867 165 T HN 0.457 nan 8.240 nan 0.000 0.454 166 I N 0.225 120.782 120.570 -0.020 0.000 2.628 166 I HA 0.144 4.314 4.170 -0.000 0.000 0.255 166 I C 2.366 178.437 176.117 -0.077 0.000 1.119 166 I CA 0.465 61.719 61.300 -0.076 0.000 1.448 166 I CB -0.172 37.764 38.000 -0.106 0.000 1.133 166 I HN 0.167 nan 8.210 nan 0.000 0.438 167 L N 0.906 122.101 121.223 -0.046 0.000 2.353 167 L HA -0.172 4.168 4.340 -0.000 0.000 0.220 167 L C 2.546 179.364 176.870 -0.086 0.000 1.133 167 L CA 1.534 56.336 54.840 -0.064 0.000 0.798 167 L CB -0.447 41.589 42.059 -0.038 0.000 0.922 167 L HN 0.394 nan 8.230 nan 0.000 0.445 168 S N -1.217 114.438 115.700 -0.075 0.000 2.483 168 S HA -0.013 4.457 4.470 -0.000 0.000 0.221 168 S C 1.877 176.419 174.600 -0.095 0.000 1.030 168 S CA -0.294 57.858 58.200 -0.080 0.000 0.925 168 S CB 0.021 63.188 63.200 -0.055 0.000 0.795 168 S HN 0.371 nan 8.310 nan 0.000 0.511 169 R N -0.065 120.379 120.500 -0.093 0.000 2.240 169 R HA 0.268 4.608 4.340 -0.000 0.000 0.203 169 R C 0.052 176.273 176.300 -0.132 0.000 1.011 169 R CA 0.228 56.276 56.100 -0.087 0.000 1.007 169 R CB -0.291 29.967 30.300 -0.070 0.000 0.911 169 R HN 0.371 nan 8.270 nan 0.000 0.468 170 C N 0.649 119.844 119.300 -0.175 0.000 2.399 170 C HA 0.391 4.851 4.460 -0.000 0.000 0.348 170 C C -0.063 174.721 174.990 -0.343 0.000 1.183 170 C CA -1.108 57.759 59.018 -0.252 0.000 2.023 170 C CB 1.254 28.863 27.740 -0.218 0.000 2.361 170 C HN 0.244 nan 8.230 nan 0.000 0.521 171 L N 3.544 124.469 121.223 -0.497 0.000 2.314 171 L HA 0.323 4.663 4.340 -0.000 0.000 0.275 171 L C 0.275 176.749 176.870 -0.659 0.000 1.068 171 L CA 0.317 54.787 54.840 -0.618 0.000 0.894 171 L CB -0.082 41.496 42.059 -0.802 0.000 1.275 171 L HN 0.827 nan 8.230 nan 0.000 0.432 172 Q N 2.445 121.926 119.800 -0.532 0.000 2.261 172 Q HA 0.503 4.843 4.340 -0.000 0.000 0.252 172 Q C -1.400 174.300 176.000 -0.499 0.000 0.915 172 Q CA -0.303 55.236 55.803 -0.441 0.000 0.915 172 Q CB 1.159 29.759 28.738 -0.229 0.000 1.204 172 Q HN 0.425 nan 8.270 nan 0.000 0.421 173 F N 1.041 120.940 119.950 -0.085 0.000 2.495 173 F HA 0.289 4.816 4.527 -0.000 0.000 0.327 173 F C -0.042 175.830 175.800 0.119 0.000 1.103 173 F CA -0.921 57.107 58.000 0.048 0.000 0.949 173 F CB 1.673 40.739 39.000 0.110 0.000 1.142 173 F HN 0.643 nan 8.300 nan 0.000 0.457 174 H N 4.755 124.004 119.070 0.298 0.000 2.519 174 H HA 0.462 5.018 4.556 -0.000 0.000 0.316 174 H C -1.024 174.412 175.328 0.179 0.000 1.065 174 H CA -0.494 55.671 56.048 0.194 0.000 1.264 174 H CB 0.961 30.793 29.762 0.116 0.000 1.413 174 H HN 0.548 nan 8.280 nan 0.000 0.465 175 L N 6.066 127.491 121.223 0.338 0.000 2.257 175 L HA 0.237 4.577 4.340 -0.000 0.000 0.290 175 L C 0.694 177.745 176.870 0.302 0.000 1.044 175 L CA -0.724 54.262 54.840 0.243 0.000 0.810 175 L CB 0.666 42.798 42.059 0.122 0.000 1.193 175 L HN 0.358 nan 8.230 nan 0.000 0.425 179 D N 0.309 120.708 120.400 -0.003 0.000 2.361 179 D HA 0.227 4.867 4.640 -0.000 0.000 0.239 179 D C 0.808 177.106 176.300 -0.003 0.000 1.200 179 D CA -0.078 53.919 54.000 -0.004 0.000 0.915 179 D CB 1.634 42.430 40.800 -0.007 0.000 1.170 179 D HN 0.229 nan 8.370 nan 0.000 0.444 180 V N 1.886 121.798 119.914 -0.004 0.000 2.220 180 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 180 V C 2.283 178.380 176.094 0.004 0.000 1.049 180 V CA 2.394 64.693 62.300 -0.003 0.000 1.003 180 V CB -0.786 31.033 31.823 -0.006 0.000 0.634 180 V HN 0.728 nan 8.190 nan 0.000 0.444 181 E N -0.748 119.457 120.200 0.008 0.000 2.147 181 E HA -0.343 4.007 4.350 -0.000 0.000 0.199 181 E C 2.307 178.927 176.600 0.035 0.000 1.005 181 E CA 1.889 58.304 56.400 0.025 0.000 0.810 181 E CB -0.147 29.567 29.700 0.024 0.000 0.736 181 E HN 0.607 nan 8.360 nan 0.000 0.460 182 Q N -0.134 119.671 119.800 0.008 0.000 2.112 182 Q HA -0.204 4.136 4.340 -0.000 0.000 0.206 182 Q C 2.108 178.122 176.000 0.022 0.000 0.987 182 Q CA 1.648 57.451 55.803 0.000 0.000 0.858 182 Q CB -0.018 28.711 28.738 -0.015 0.000 0.905 182 Q HN 0.418 nan 8.270 nan 0.000 0.420 183 I N -0.233 120.343 120.570 0.010 0.000 2.277 183 I HA -0.226 3.944 4.170 -0.000 0.000 0.243 183 I C 2.607 178.719 176.117 -0.009 0.000 1.094 183 I CA 0.542 61.839 61.300 -0.005 0.000 1.393 183 I CB -0.418 37.574 38.000 -0.014 0.000 1.078 183 I HN 0.216 nan 8.210 nan 0.000 0.417 184 R N 0.970 121.472 120.500 0.004 0.000 2.112 184 R HA -0.294 4.046 4.340 -0.000 0.000 0.242 184 R C 2.355 178.650 176.300 -0.008 0.000 1.137 184 R CA 2.093 58.189 56.100 -0.006 0.000 0.944 184 R CB -1.143 29.167 30.300 0.016 0.000 0.857 184 R HN 0.441 nan 8.270 nan 0.000 0.435 185 H N 0.003 119.044 119.070 -0.049 0.000 2.422 185 H HA -0.152 4.404 4.556 -0.000 0.000 0.298 185 H C 1.955 177.249 175.328 -0.055 0.000 1.098 185 H CA 2.215 58.237 56.048 -0.044 0.000 1.315 185 H CB 0.283 30.025 29.762 -0.033 0.000 1.382 185 H HN 0.306 nan 8.280 nan 0.000 0.523 186 Q N 0.649 120.467 119.800 0.030 0.000 2.096 186 Q HA -0.023 4.317 4.340 -0.000 0.000 0.197 186 Q C 2.707 178.615 176.000 -0.152 0.000 0.964 186 Q CA 0.972 56.750 55.803 -0.041 0.000 0.838 186 Q CB -0.338 28.375 28.738 -0.041 0.000 0.906 186 Q HN 0.468 nan 8.270 nan 0.000 0.444 187 L N 0.494 121.616 121.223 -0.169 0.000 1.990 187 L HA -0.252 4.088 4.340 -0.000 0.000 0.213 187 L C 2.555 179.239 176.870 -0.311 0.000 1.072 187 L CA 2.071 56.766 54.840 -0.241 0.000 0.755 187 L CB -0.674 41.276 42.059 -0.182 0.000 0.889 187 L HN 0.450 nan 8.230 nan 0.000 0.432 188 E N -0.395 119.624 120.200 -0.302 0.000 2.035 188 E HA -0.356 3.994 4.350 -0.000 0.000 0.204 188 E C 2.265 178.647 176.600 -0.363 0.000 1.025 188 E CA 1.798 57.950 56.400 -0.413 0.000 0.835 188 E CB -0.288 29.207 29.700 -0.341 0.000 0.764 188 E HN 0.476 nan 8.360 nan 0.000 0.457 189 H N 0.385 119.242 119.070 -0.355 0.000 2.431 189 H HA -0.174 4.382 4.556 -0.000 0.000 0.297 189 H C 2.084 177.241 175.328 -0.284 0.000 1.115 189 H CA 1.930 57.818 56.048 -0.267 0.000 1.277 189 H CB -0.090 29.553 29.762 -0.198 0.000 1.372 189 H HN 0.291 nan 8.280 nan 0.000 0.516 190 I N 0.143 120.447 120.570 -0.443 0.000 2.406 190 I HA -0.217 3.953 4.170 -0.000 0.000 0.249 190 I C 2.491 178.354 176.117 -0.423 0.000 1.122 190 I CA 0.446 61.320 61.300 -0.711 0.000 1.431 190 I CB -0.057 37.272 38.000 -1.118 0.000 1.087 190 I HN 0.150 nan 8.210 nan 0.000 0.424 191 L N 0.317 121.316 121.223 -0.374 0.000 2.240 191 L HA -0.092 4.248 4.340 -0.000 0.000 0.211 191 L C 2.177 178.953 176.870 -0.157 0.000 1.106 191 L CA 0.674 55.367 54.840 -0.243 0.000 0.793 191 L CB -0.626 41.257 42.059 -0.294 0.000 0.927 191 L HN 0.296 nan 8.230 nan 0.000 0.446 192 N N 0.420 118.985 118.700 -0.225 0.000 2.092 192 N HA -0.202 4.538 4.740 -0.000 0.000 0.189 192 N C 1.760 177.108 175.510 -0.271 0.000 1.040 192 N CA 1.230 54.195 53.050 -0.143 0.000 0.845 192 N CB -0.114 38.278 38.487 -0.157 0.000 1.017 192 N HN 0.304 nan 8.380 nan 0.000 0.426 193 E N 0.552 120.559 120.200 -0.322 0.000 2.209 193 E HA -0.148 4.201 4.350 -0.000 0.000 0.196 193 E C 0.771 177.208 176.600 -0.273 0.000 0.993 193 E CA 0.853 57.074 56.400 -0.299 0.000 0.819 193 E CB 0.221 29.812 29.700 -0.182 0.000 0.745 193 E HN 0.186 nan 8.360 nan 0.000 0.477 194 E N -0.218 119.890 120.200 -0.153 0.000 2.489 194 E HA -0.040 4.310 4.350 -0.000 0.000 0.193 194 E C -0.556 176.047 176.600 0.005 0.000 1.057 194 E CA 0.166 56.548 56.400 -0.030 0.000 0.866 194 E CB 0.128 29.865 29.700 0.062 0.000 0.916 194 E HN 0.275 nan 8.360 nan 0.000 0.500 195 H N -0.484 118.603 119.070 0.029 0.000 2.702 195 H HA -0.186 4.370 4.556 -0.000 0.000 0.328 195 H C -0.307 175.041 175.328 0.032 0.000 1.111 195 H CA 0.699 56.764 56.048 0.028 0.000 1.109 195 H CB -2.052 27.722 29.762 0.019 0.000 1.606 195 H HN 0.164 nan 8.280 nan 0.000 0.399 196 I N -0.071 120.581 120.570 0.136 0.000 2.582 196 I HA 0.470 4.640 4.170 -0.000 0.000 0.292 196 I C 0.561 176.751 176.117 0.121 0.000 1.066 196 I CA -0.898 60.463 61.300 0.101 0.000 1.053 196 I CB 2.071 40.110 38.000 0.065 0.000 1.241 196 I HN 0.433 nan 8.210 nan 0.000 0.421 197 A N 6.256 129.116 122.820 0.066 0.000 2.524 197 A HA 0.348 4.668 4.320 -0.000 0.000 0.250 197 A C -0.310 177.303 177.584 0.049 0.000 1.078 197 A CA 0.371 52.417 52.037 0.015 0.000 0.761 197 A CB -0.295 18.699 19.000 -0.009 0.000 1.012 197 A HN 0.849 nan 8.150 nan 0.000 0.500 198 H N 0.689 119.749 119.070 -0.017 0.000 2.961 198 H HA 0.645 5.201 4.556 -0.000 0.000 0.371 198 H C -1.266 174.048 175.328 -0.022 0.000 1.190 198 H CA -0.750 55.282 56.048 -0.026 0.000 1.138 198 H CB 1.226 30.963 29.762 -0.041 0.000 1.816 198 H HN 0.623 nan 8.280 nan 0.000 0.551 199 E N 1.455 121.697 120.200 0.072 0.000 2.249 199 E HA 0.254 4.604 4.350 -0.000 0.000 0.263 199 E C -1.913 174.751 176.600 0.106 0.000 0.950 199 E CA -2.298 54.119 56.400 0.028 0.000 0.827 199 E CB 2.485 32.193 29.700 0.013 0.000 1.220 199 E HN 0.366 nan 8.360 nan 0.000 0.411 200 P HA -0.083 nan 4.420 nan 0.000 0.213 200 P C 1.063 178.389 177.300 0.044 0.000 1.170 200 P CA 1.071 64.211 63.100 0.066 0.000 0.889 200 P CB 0.186 31.913 31.700 0.044 0.000 0.782 201 R N -0.227 120.292 120.500 0.031 0.000 2.200 201 R HA -0.112 4.228 4.340 -0.000 0.000 0.234 201 R C 1.912 178.223 176.300 0.018 0.000 1.127 201 R CA 1.320 57.433 56.100 0.022 0.000 0.989 201 R CB -0.637 29.672 30.300 0.017 0.000 0.869 201 R HN 0.079 nan 8.270 nan 0.000 0.459 202 A N 0.874 123.708 122.820 0.023 0.000 1.855 202 A HA -0.106 4.213 4.320 -0.000 0.000 0.215 202 A C 2.087 179.674 177.584 0.006 0.000 1.191 202 A CA 1.004 53.051 52.037 0.016 0.000 0.613 202 A CB -0.495 18.521 19.000 0.027 0.000 0.829 202 A HN 0.314 nan 8.150 nan 0.000 0.442 203 L N -0.422 120.805 121.223 0.007 0.000 2.191 203 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 203 L C 2.862 179.723 176.870 -0.015 0.000 1.103 203 L CA 1.034 55.860 54.840 -0.023 0.000 0.769 203 L CB -0.621 41.411 42.059 -0.044 0.000 0.908 203 L HN 0.457 nan 8.230 nan 0.000 0.438 204 Q N 0.164 119.964 119.800 0.001 0.000 1.990 204 Q HA -0.141 4.199 4.340 -0.000 0.000 0.200 204 Q C 2.451 178.451 176.000 -0.001 0.000 0.980 204 Q CA 1.326 57.131 55.803 0.004 0.000 0.832 204 Q CB -0.417 28.329 28.738 0.014 0.000 0.897 204 Q HN 0.500 nan 8.270 nan 0.000 0.427 205 L N 0.627 121.850 121.223 -0.000 0.000 2.081 205 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 205 L C 2.489 179.354 176.870 -0.009 0.000 1.080 205 L CA 0.895 55.733 54.840 -0.003 0.000 0.754 205 L CB -0.390 41.667 42.059 -0.003 0.000 0.893 205 L HN 0.192 nan 8.230 nan 0.000 0.433 206 L N -1.141 120.074 121.223 -0.013 0.000 2.072 206 L HA -0.155 4.185 4.340 -0.000 0.000 0.205 206 L C 2.793 179.650 176.870 -0.022 0.000 1.079 206 L CA 1.049 55.876 54.840 -0.020 0.000 0.752 206 L CB -0.540 41.500 42.059 -0.031 0.000 0.906 206 L HN 0.230 nan 8.230 nan 0.000 0.436 207 A N 0.137 122.944 122.820 -0.021 0.000 1.855 207 A HA -0.182 4.138 4.320 -0.000 0.000 0.215 207 A C 2.329 179.906 177.584 -0.011 0.000 1.191 207 A CA 1.284 53.309 52.037 -0.019 0.000 0.613 207 A CB -0.462 18.529 19.000 -0.015 0.000 0.829 207 A HN 0.294 nan 8.150 nan 0.000 0.442 208 R N -0.385 120.110 120.500 -0.008 0.000 2.127 208 R HA -0.103 4.237 4.340 -0.000 0.000 0.238 208 R C 2.371 178.669 176.300 -0.004 0.000 1.134 208 R CA 1.139 57.236 56.100 -0.005 0.000 0.975 208 R CB -0.469 29.828 30.300 -0.004 0.000 0.865 208 R HN 0.524 nan 8.270 nan 0.000 0.447 209 A N 1.590 124.406 122.820 -0.006 0.000 1.930 209 A HA 0.063 4.383 4.320 -0.000 0.000 0.217 209 A C 1.308 178.890 177.584 -0.004 0.000 1.175 209 A CA 1.088 53.122 52.037 -0.005 0.000 0.627 209 A CB -0.176 18.819 19.000 -0.008 0.000 0.815 209 A HN 0.321 nan 8.150 nan 0.000 0.443 210 A N 0.965 123.781 122.820 -0.006 0.000 2.376 210 A HA 0.433 4.753 4.320 -0.000 0.000 0.298 210 A C -0.323 177.260 177.584 -0.001 0.000 1.271 210 A CA -0.394 51.640 52.037 -0.005 0.000 0.926 210 A CB -0.361 18.633 19.000 -0.011 0.000 1.141 210 A HN 0.491 nan 8.150 nan 0.000 0.539 211 E N 2.129 122.332 120.200 0.004 0.000 1.775 211 E HA 0.368 4.717 4.350 -0.000 0.000 0.266 211 E C 1.179 177.785 176.600 0.010 0.000 1.191 211 E CA 0.634 57.038 56.400 0.007 0.000 1.048 211 E CB 0.005 29.711 29.700 0.010 0.000 1.081 211 E HN 1.110 nan 8.360 nan 0.000 0.434 212 G N 2.788 111.592 108.800 0.007 0.000 2.184 212 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.264 212 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.264 212 G C 0.301 175.207 174.900 0.010 0.000 0.975 212 G CA 0.492 45.597 45.100 0.009 0.000 0.642 212 G HN 0.569 nan 8.290 nan 0.000 0.536 213 S N -0.465 115.239 115.700 0.007 0.000 2.474 213 S HA 0.667 5.136 4.470 -0.000 0.000 0.321 213 S C 0.893 175.492 174.600 -0.002 0.000 1.080 213 S CA -0.324 57.880 58.200 0.006 0.000 1.106 213 S CB 2.101 65.307 63.200 0.009 0.000 0.984 213 S HN 0.631 nan 8.310 nan 0.000 0.464 214 L N 3.301 124.522 121.223 -0.003 0.000 2.156 214 L HA 0.135 4.475 4.340 -0.000 0.000 0.208 214 L C 2.574 179.440 176.870 -0.007 0.000 1.095 214 L CA 1.469 56.302 54.840 -0.011 0.000 0.770 214 L CB -0.804 41.250 42.059 -0.008 0.000 0.914 214 L HN 0.912 nan 8.230 nan 0.000 0.439 215 R N -0.347 120.155 120.500 0.003 0.000 2.097 215 R HA -0.205 4.135 4.340 -0.000 0.000 0.236 215 R C 1.855 178.157 176.300 0.004 0.000 1.135 215 R CA 2.287 58.392 56.100 0.008 0.000 0.934 215 R CB -0.348 29.958 30.300 0.010 0.000 0.846 215 R HN 0.402 nan 8.270 nan 0.000 0.431 216 D N 0.055 120.456 120.400 0.002 0.000 2.117 216 D HA -0.109 4.531 4.640 -0.000 0.000 0.198 216 D C 1.819 178.113 176.300 -0.010 0.000 0.982 216 D CA 1.286 55.286 54.000 -0.000 0.000 0.828 216 D CB -0.387 40.415 40.800 0.002 0.000 0.967 216 D HN 0.413 nan 8.370 nan 0.000 0.464 217 A N 1.241 124.051 122.820 -0.017 0.000 1.915 217 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 217 A C 2.400 179.958 177.584 -0.043 0.000 1.198 217 A CA 1.384 53.403 52.037 -0.031 0.000 0.647 217 A CB -0.956 18.021 19.000 -0.039 0.000 0.825 217 A HN 0.237 nan 8.150 nan 0.000 0.456 218 L N -0.117 121.080 121.223 -0.043 0.000 2.109 218 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 218 L C 2.972 179.827 176.870 -0.026 0.000 1.086 218 L CA 1.418 56.227 54.840 -0.051 0.000 0.760 218 L CB -0.456 41.578 42.059 -0.042 0.000 0.910 218 L HN 0.621 nan 8.230 nan 0.000 0.437 219 S N 0.052 115.746 115.700 -0.010 0.000 2.419 219 S HA -0.114 4.356 4.470 -0.000 0.000 0.233 219 S C 1.905 176.501 174.600 -0.006 0.000 1.016 219 S CA 0.830 59.029 58.200 -0.001 0.000 0.974 219 S CB -0.346 62.857 63.200 0.005 0.000 0.786 219 S HN 0.380 nan 8.310 nan 0.000 0.492 220 L N 0.729 121.945 121.223 -0.013 0.000 2.095 220 L HA -0.003 4.337 4.340 -0.000 0.000 0.204 220 L C 2.907 179.766 176.870 -0.019 0.000 1.080 220 L CA 1.418 56.250 54.840 -0.014 0.000 0.759 220 L CB -1.164 40.886 42.059 -0.015 0.000 0.914 220 L HN 0.338 nan 8.230 nan 0.000 0.439 221 T N -0.905 113.630 114.554 -0.031 0.000 2.803 221 T HA -0.183 4.167 4.350 -0.000 0.000 0.269 221 T C 1.393 176.077 174.700 -0.026 0.000 1.052 221 T CA 1.305 63.381 62.100 -0.040 0.000 1.136 221 T CB -0.203 68.621 68.868 -0.073 0.000 0.864 221 T HN 0.300 nan 8.240 nan 0.000 0.467 222 D N 0.568 120.958 120.400 -0.017 0.000 2.224 222 D HA -0.022 4.618 4.640 -0.000 0.000 0.205 222 D C 2.181 178.481 176.300 -0.000 0.000 0.965 222 D CA 0.685 54.683 54.000 -0.004 0.000 0.852 222 D CB -0.018 40.785 40.800 0.006 0.000 0.947 222 D HN 0.229 nan 8.370 nan 0.000 0.494 223 Q N -0.150 119.649 119.800 -0.002 0.000 2.425 223 Q HA 0.146 4.486 4.340 -0.000 0.000 0.204 223 Q C 1.589 177.588 176.000 -0.002 0.000 0.933 223 Q CA 0.054 55.857 55.803 -0.001 0.000 0.939 223 Q CB 0.557 29.295 28.738 -0.001 0.000 1.044 223 Q HN 0.182 nan 8.270 nan 0.000 0.513 224 A N -0.179 122.638 122.820 -0.005 0.000 2.030 224 A HA 0.043 4.363 4.320 -0.000 0.000 0.215 224 A C 1.924 179.508 177.584 -0.001 0.000 1.164 224 A CA 0.299 52.333 52.037 -0.004 0.000 0.697 224 A CB -0.145 18.851 19.000 -0.008 0.000 0.827 224 A HN 0.282 nan 8.150 nan 0.000 0.457 225 I N -0.496 120.074 120.570 0.000 0.000 2.617 225 I HA -0.151 4.019 4.170 -0.000 0.000 0.256 225 I C 2.702 178.823 176.117 0.006 0.000 1.167 225 I CA 0.890 62.193 61.300 0.005 0.000 1.469 225 I CB -0.061 37.943 38.000 0.007 0.000 1.098 225 I HN 0.356 nan 8.210 nan 0.000 0.436 226 A N 0.343 123.166 122.820 0.005 0.000 1.911 226 A HA -0.116 4.204 4.320 -0.000 0.000 0.212 226 A C 2.461 180.047 177.584 0.003 0.000 1.189 226 A CA 1.305 53.345 52.037 0.006 0.000 0.639 226 A CB -0.627 18.376 19.000 0.006 0.000 0.839 226 A HN 0.415 nan 8.150 nan 0.000 0.449 227 S N 0.114 115.815 115.700 0.002 0.000 2.345 227 S HA 0.177 4.647 4.470 -0.000 0.000 0.220 227 S C 1.528 176.128 174.600 -0.000 0.000 1.031 227 S CA 1.261 59.461 58.200 0.000 0.000 0.996 227 S CB -1.069 62.130 63.200 -0.002 0.000 0.882 227 S HN 0.698 nan 8.310 nan 0.000 0.445 228 G N 1.407 110.207 108.800 0.000 0.000 2.546 228 G HA2 0.395 4.355 3.960 -0.000 0.000 0.239 228 G HA3 0.395 4.355 3.960 -0.000 0.000 0.239 228 G C -0.662 174.239 174.900 0.002 0.000 1.476 228 G CA -0.387 44.713 45.100 0.000 0.000 1.064 228 G HN 0.429 nan 8.290 nan 0.000 0.561 229 D N -0.481 119.920 120.400 0.002 0.000 2.398 229 D HA 0.301 4.941 4.640 -0.000 0.000 0.247 229 D C 0.963 177.267 176.300 0.006 0.000 1.227 229 D CA 0.068 54.069 54.000 0.003 0.000 0.980 229 D CB 0.554 41.355 40.800 0.001 0.000 1.106 229 D HN 0.403 nan 8.370 nan 0.000 0.493 230 G N 0.448 109.253 108.800 0.008 0.000 3.090 230 G HA2 0.083 4.043 3.960 -0.000 0.000 0.259 230 G HA3 0.083 4.043 3.960 -0.000 0.000 0.259 230 G C -0.012 174.897 174.900 0.016 0.000 0.797 230 G CA 0.114 45.222 45.100 0.013 0.000 2.032 230 G HN 0.205 nan 8.290 nan 0.000 0.614 231 Q N -0.125 119.683 119.800 0.014 0.000 2.268 231 Q HA 0.216 4.556 4.340 -0.000 0.000 0.266 231 Q C -1.101 174.911 176.000 0.019 0.000 1.006 231 Q CA -0.742 55.072 55.803 0.017 0.000 0.824 231 Q CB 3.025 31.768 28.738 0.008 0.000 1.306 231 Q HN 0.063 nan 8.270 nan 0.000 0.424 232 V N 2.994 122.928 119.914 0.033 0.000 2.276 232 V HA 0.138 4.257 4.120 -0.000 0.000 0.249 232 V C 0.041 176.157 176.094 0.035 0.000 1.160 232 V CA 0.008 62.327 62.300 0.031 0.000 1.042 232 V CB -0.232 31.612 31.823 0.035 0.000 1.224 232 V HN 0.716 nan 8.190 nan 0.000 0.496 233 S N 2.055 117.765 115.700 0.017 0.000 2.608 233 S HA 0.344 4.814 4.470 -0.000 0.000 0.291 233 S C 1.177 175.781 174.600 0.007 0.000 1.146 233 S CA -0.438 57.768 58.200 0.010 0.000 1.043 233 S CB 1.635 64.837 63.200 0.002 0.000 1.037 233 S HN 0.478 nan 8.310 nan 0.000 0.520 234 T N 1.424 115.981 114.554 0.006 0.000 2.699 234 T HA -0.211 4.139 4.350 -0.000 0.000 0.268 234 T C 1.797 176.496 174.700 -0.002 0.000 1.036 234 T CA 2.008 64.109 62.100 0.003 0.000 1.147 234 T CB -0.486 68.384 68.868 0.002 0.000 0.862 234 T HN 0.772 nan 8.240 nan 0.000 0.446 235 Q N 0.248 120.046 119.800 -0.003 0.000 2.096 235 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 235 Q C 2.433 178.429 176.000 -0.006 0.000 0.982 235 Q CA 1.612 57.412 55.803 -0.006 0.000 0.850 235 Q CB -0.239 28.496 28.738 -0.006 0.000 0.901 235 Q HN 0.588 nan 8.270 nan 0.000 0.422 236 A N -0.458 122.359 122.820 -0.004 0.000 1.854 236 A HA -0.089 4.231 4.320 -0.000 0.000 0.214 236 A C 2.189 179.770 177.584 -0.006 0.000 1.192 236 A CA 1.251 53.285 52.037 -0.004 0.000 0.611 236 A CB -0.722 18.277 19.000 -0.001 0.000 0.832 236 A HN 0.276 nan 8.150 nan 0.000 0.442 237 V N 1.296 121.207 119.914 -0.004 0.000 2.252 237 V HA -0.256 3.864 4.120 -0.000 0.000 0.249 237 V C 2.746 178.834 176.094 -0.009 0.000 1.056 237 V CA 2.441 64.737 62.300 -0.006 0.000 1.022 237 V CB -1.109 30.711 31.823 -0.005 0.000 0.641 237 V HN 0.778 nan 8.190 nan 0.000 0.445 238 S N 0.158 115.852 115.700 -0.010 0.000 2.660 238 S HA 0.203 4.673 4.470 -0.000 0.000 0.223 238 S C 1.605 176.195 174.600 -0.017 0.000 0.963 238 S CA 0.731 58.923 58.200 -0.014 0.000 0.932 238 S CB -0.000 63.191 63.200 -0.014 0.000 0.775 238 S HN 0.553 nan 8.310 nan 0.000 0.531 239 A N 1.496 124.307 122.820 -0.014 0.000 1.997 239 A HA 0.401 4.721 4.320 -0.000 0.000 0.212 239 A C 2.134 179.709 177.584 -0.015 0.000 1.178 239 A CA 0.452 52.480 52.037 -0.015 0.000 0.698 239 A CB -0.344 18.649 19.000 -0.011 0.000 0.842 239 A HN 0.554 nan 8.150 nan 0.000 0.458 240 M N -0.186 119.406 119.600 -0.013 0.000 2.191 240 M HA 0.160 4.640 4.480 -0.000 0.000 0.262 240 M C 0.587 176.878 176.300 -0.014 0.000 1.083 240 M CA 0.615 55.908 55.300 -0.012 0.000 1.154 240 M CB -0.487 32.107 32.600 -0.009 0.000 1.344 240 M HN 0.210 nan 8.290 nan 0.000 0.431 244 L N 1.153 122.345 121.223 -0.053 0.000 2.131 244 L HA -0.004 4.336 4.340 -0.000 0.000 0.210 244 L C 1.535 178.383 176.870 -0.036 0.000 1.092 244 L CA 1.574 56.382 54.840 -0.054 0.000 0.759 244 L CB -0.308 41.715 42.059 -0.060 0.000 0.903 244 L HN 0.975 nan 8.230 nan 0.000 0.435 245 D N -0.637 119.748 120.400 -0.026 0.000 3.041 245 D HA -0.175 4.464 4.640 -0.000 0.000 0.220 245 D C -0.507 175.784 176.300 -0.015 0.000 1.157 245 D CA 0.740 54.730 54.000 -0.018 0.000 0.876 245 D CB -0.779 40.011 40.800 -0.018 0.000 1.107 245 D HN 0.383 nan 8.370 nan 0.000 0.422 246 D N -0.499 119.891 120.400 -0.017 0.000 2.490 246 D HA 0.209 4.849 4.640 -0.000 0.000 0.232 246 D C 0.435 176.731 176.300 -0.007 0.000 1.053 246 D CA -0.573 53.419 54.000 -0.013 0.000 0.914 246 D CB 0.966 41.756 40.800 -0.017 0.000 1.431 246 D HN -0.143 nan 8.370 nan 0.000 0.483 247 D N 0.593 120.991 120.400 -0.003 0.000 2.379 247 D HA -0.086 4.554 4.640 -0.000 0.000 0.243 247 D C 1.752 178.054 176.300 0.004 0.000 1.088 247 D CA 0.503 54.504 54.000 0.002 0.000 0.925 247 D CB 0.170 40.972 40.800 0.003 0.000 0.888 247 D HN 0.412 nan 8.370 nan 0.000 0.529 248 Q N 0.617 120.417 119.800 0.000 0.000 2.077 248 Q HA -0.209 4.131 4.340 -0.000 0.000 0.206 248 Q C 2.190 178.199 176.000 0.015 0.000 0.989 248 Q CA 1.663 57.470 55.803 0.006 0.000 0.853 248 Q CB -0.414 28.322 28.738 -0.003 0.000 0.907 248 Q HN 0.278 nan 8.270 nan 0.000 0.418 249 A N 1.362 124.190 122.820 0.014 0.000 1.908 249 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 249 A C 2.136 179.732 177.584 0.021 0.000 1.181 249 A CA 1.465 53.516 52.037 0.023 0.000 0.627 249 A CB -0.610 18.403 19.000 0.022 0.000 0.818 249 A HN 0.335 nan 8.150 nan 0.000 0.445 250 L N 0.713 121.945 121.223 0.015 0.000 2.005 250 L HA -0.115 4.224 4.340 -0.000 0.000 0.207 250 L C 2.730 179.604 176.870 0.006 0.000 1.072 250 L CA 2.812 57.659 54.840 0.012 0.000 0.744 250 L CB -0.710 41.356 42.059 0.011 0.000 0.895 250 L HN 0.448 nan 8.230 nan 0.000 0.433 251 S N -0.867 114.837 115.700 0.007 0.000 2.419 251 S HA -0.205 4.265 4.470 -0.000 0.000 0.233 251 S C 2.099 176.703 174.600 0.006 0.000 1.016 251 S CA 1.459 59.662 58.200 0.006 0.000 0.974 251 S CB -0.941 62.264 63.200 0.008 0.000 0.786 251 S HN 0.477 nan 8.310 nan 0.000 0.492 252 L N 0.783 122.014 121.223 0.013 0.000 2.056 252 L HA -0.050 4.289 4.340 -0.000 0.000 0.207 252 L C 2.619 179.487 176.870 -0.004 0.000 1.078 252 L CA 1.028 55.879 54.840 0.018 0.000 0.749 252 L CB -0.411 41.671 42.059 0.038 0.000 0.901 252 L HN 0.252 nan 8.230 nan 0.000 0.433 253 V N -0.083 119.822 119.914 -0.015 0.000 2.358 253 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 253 V C 2.318 178.368 176.094 -0.072 0.000 1.047 253 V CA 1.815 64.082 62.300 -0.054 0.000 1.035 253 V CB -0.334 31.468 31.823 -0.036 0.000 0.658 253 V HN 0.485 nan 8.190 nan 0.000 0.452 254 E N 0.126 120.304 120.200 -0.036 0.000 2.077 254 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 254 E C 2.304 178.890 176.600 -0.023 0.000 0.989 254 E CA 1.372 57.755 56.400 -0.028 0.000 0.800 254 E CB -0.343 29.350 29.700 -0.010 0.000 0.746 254 E HN 0.618 nan 8.360 nan 0.000 0.452 255 A N 1.909 124.719 122.820 -0.016 0.000 1.845 255 A HA -0.219 4.101 4.320 -0.000 0.000 0.215 255 A C 2.207 179.786 177.584 -0.009 0.000 1.195 255 A CA 1.617 53.649 52.037 -0.008 0.000 0.616 255 A CB -0.676 18.324 19.000 0.000 0.000 0.832 255 A HN 0.279 nan 8.150 nan 0.000 0.443 256 M N 0.289 119.878 119.600 -0.019 0.000 2.103 256 M HA -0.195 4.285 4.480 -0.000 0.000 0.255 256 M C 1.714 178.019 176.300 0.008 0.000 1.074 256 M CA 2.619 57.911 55.300 -0.014 0.000 1.090 256 M CB -0.379 32.179 32.600 -0.070 0.000 1.325 256 M HN 0.212 nan 8.290 nan 0.000 0.403 257 V N 0.104 119.966 119.914 -0.087 0.000 3.141 257 V HA -0.147 3.973 4.120 -0.000 0.000 0.265 257 V C 1.561 177.811 176.094 0.261 0.000 1.126 257 V CA 1.527 63.832 62.300 0.008 0.000 1.141 257 V CB -0.977 30.749 31.823 -0.161 0.000 0.743 257 V HN 0.534 nan 8.190 nan 0.000 0.492 258 E N 0.258 120.508 120.200 0.083 0.000 2.452 258 E HA 0.449 4.799 4.350 -0.000 0.000 0.197 258 E C 1.045 177.565 176.600 -0.133 0.000 1.022 258 E CA 0.501 56.910 56.400 0.015 0.000 0.890 258 E CB 0.339 30.039 29.700 0.000 0.000 0.918 258 E HN 0.474 nan 8.360 nan 0.000 0.496 259 A N 2.292 125.036 122.820 -0.127 0.000 2.917 259 A HA -0.174 4.146 4.320 -0.000 0.000 0.286 259 A C 0.873 178.401 177.584 -0.094 0.000 1.435 259 A CA 0.672 52.604 52.037 -0.175 0.000 0.737 259 A CB -2.349 16.398 19.000 -0.422 0.000 1.049 259 A HN 0.326 nan 8.150 nan 0.000 0.483 260 N N 0.204 118.877 118.700 -0.044 0.000 2.422 260 N HA 0.105 4.845 4.740 -0.000 0.000 0.181 260 N C 1.914 177.413 175.510 -0.018 0.000 1.080 260 N CA 1.838 54.871 53.050 -0.029 0.000 0.893 260 N CB -0.417 38.060 38.487 -0.017 0.000 0.973 260 N HN 1.542 nan 8.380 nan 0.000 0.456 261 G N 2.031 110.825 108.800 -0.012 0.000 3.412 261 G HA2 -0.526 3.434 3.960 -0.000 0.000 0.385 261 G HA3 -0.526 3.434 3.960 -0.000 0.000 0.385 261 G C 1.116 176.015 174.900 -0.002 0.000 2.040 261 G CA 1.773 46.870 45.100 -0.005 0.000 2.281 261 G HN 0.561 nan 8.290 nan 0.000 0.917 262 E N 0.566 120.762 120.200 -0.006 0.000 2.136 262 E HA -0.264 4.086 4.350 -0.000 0.000 0.208 262 E C 2.441 179.043 176.600 0.004 0.000 1.035 262 E CA 2.561 58.959 56.400 -0.002 0.000 0.838 262 E CB -0.435 29.262 29.700 -0.006 0.000 0.748 262 E HN 0.701 nan 8.360 nan 0.000 0.459 263 R N -0.617 119.885 120.500 0.004 0.000 2.119 263 R HA 0.000 4.340 4.340 -0.000 0.000 0.222 263 R C 2.202 178.512 176.300 0.017 0.000 1.088 263 R CA 1.013 57.118 56.100 0.009 0.000 0.984 263 R CB 0.037 30.340 30.300 0.005 0.000 0.884 263 R HN 0.187 nan 8.270 nan 0.000 0.447 264 V N 1.040 120.963 119.914 0.016 0.000 2.270 264 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 264 V C 2.343 178.456 176.094 0.031 0.000 1.043 264 V CA 1.484 63.799 62.300 0.025 0.000 1.014 264 V CB -0.337 31.500 31.823 0.023 0.000 0.645 264 V HN 0.314 nan 8.190 nan 0.000 0.447 265 M N 0.072 119.685 119.600 0.021 0.000 2.279 265 M HA -0.070 4.410 4.480 -0.000 0.000 0.264 265 M C 2.269 178.589 176.300 0.032 0.000 1.062 265 M CA 1.813 57.125 55.300 0.020 0.000 1.099 265 M CB -1.768 30.836 32.600 0.007 0.000 1.394 265 M HN 0.401 nan 8.290 nan 0.000 0.426 266 A N 0.403 123.241 122.820 0.029 0.000 1.841 266 A HA -0.110 4.210 4.320 -0.000 0.000 0.214 266 A C 2.340 179.953 177.584 0.049 0.000 1.195 266 A CA 1.312 53.368 52.037 0.033 0.000 0.611 266 A CB -0.999 18.015 19.000 0.023 0.000 0.835 266 A HN 0.438 nan 8.150 nan 0.000 0.443 267 L N -0.361 120.892 121.223 0.050 0.000 2.043 267 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 267 L C 2.482 179.416 176.870 0.106 0.000 1.075 267 L CA 1.450 56.328 54.840 0.062 0.000 0.752 267 L CB -0.549 41.541 42.059 0.053 0.000 0.891 267 L HN 0.412 nan 8.230 nan 0.000 0.432 268 I N -0.292 120.356 120.570 0.130 0.000 2.264 268 I HA -0.308 3.862 4.170 -0.000 0.000 0.248 268 I C 2.361 178.647 176.117 0.281 0.000 1.111 268 I CA 1.187 62.624 61.300 0.229 0.000 1.382 268 I CB -0.395 37.680 38.000 0.125 0.000 1.060 268 I HN 0.383 nan 8.210 nan 0.000 0.418 269 N N 1.049 119.844 118.700 0.159 0.000 2.135 269 N HA -0.221 4.519 4.740 -0.000 0.000 0.186 269 N C 1.798 177.380 175.510 0.120 0.000 1.027 269 N CA 1.561 54.693 53.050 0.137 0.000 0.849 269 N CB -0.102 38.431 38.487 0.077 0.000 1.002 269 N HN 0.327 nan 8.380 nan 0.000 0.425 270 E N -0.216 120.034 120.200 0.084 0.000 2.077 270 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 270 E C 1.770 178.394 176.600 0.040 0.000 0.989 270 E CA 1.100 57.530 56.400 0.051 0.000 0.800 270 E CB -0.194 29.526 29.700 0.035 0.000 0.746 270 E HN 0.423 nan 8.360 nan 0.000 0.452 271 A N 1.404 124.259 122.820 0.058 0.000 1.873 271 A HA -0.216 4.103 4.320 -0.000 0.000 0.218 271 A C 2.456 179.991 177.584 -0.082 0.000 1.193 271 A CA 2.258 54.285 52.037 -0.016 0.000 0.629 271 A CB -1.068 17.951 19.000 0.031 0.000 0.826 271 A HN 0.433 nan 8.150 nan 0.000 0.447 272 A N -0.289 122.595 122.820 0.106 0.000 1.940 272 A HA 0.085 4.405 4.320 -0.000 0.000 0.219 272 A C 2.476 180.094 177.584 0.057 0.000 1.176 272 A CA 2.319 54.461 52.037 0.175 0.000 0.631 272 A CB -1.052 18.230 19.000 0.470 0.000 0.814 272 A HN 1.243 nan 8.150 nan 0.000 0.446 273 A N -0.355 122.495 122.820 0.051 0.000 2.070 273 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 273 A C 1.999 179.576 177.584 -0.012 0.000 1.159 273 A CA 1.342 53.394 52.037 0.025 0.000 0.656 273 A CB -0.349 18.668 19.000 0.027 0.000 0.800 273 A HN 0.577 nan 8.150 nan 0.000 0.453 274 R N -0.879 119.593 120.500 -0.047 0.000 2.426 274 R HA 0.286 4.626 4.340 -0.000 0.000 0.263 274 R C 0.857 177.094 176.300 -0.105 0.000 0.961 274 R CA 0.331 56.392 56.100 -0.066 0.000 1.086 274 R CB -0.153 30.105 30.300 -0.071 0.000 1.186 274 R HN 0.510 nan 8.270 nan 0.000 0.537 275 G N 2.392 111.121 108.800 -0.118 0.000 2.371 275 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.299 275 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.299 275 G C 0.175 174.921 174.900 -0.256 0.000 1.014 275 G CA 0.006 45.014 45.100 -0.154 0.000 1.097 275 G HN 0.302 nan 8.290 nan 0.000 0.512 276 I N -0.273 120.029 120.570 -0.447 0.000 2.823 276 I HA 0.210 4.380 4.170 -0.000 0.000 0.290 276 I C 0.435 176.193 176.117 -0.598 0.000 1.091 276 I CA -0.559 60.436 61.300 -0.508 0.000 1.365 276 I CB 0.686 38.277 38.000 -0.681 0.000 1.427 276 I HN 0.116 nan 8.210 nan 0.000 0.583 277 E N 4.193 124.175 120.200 -0.364 0.000 1.963 277 E HA 0.029 4.379 4.350 -0.000 0.000 0.274 277 E C 0.116 176.610 176.600 -0.177 0.000 1.061 277 E CA -0.171 56.094 56.400 -0.224 0.000 0.847 277 E CB 0.226 29.867 29.700 -0.097 0.000 1.083 277 E HN 0.572 nan 8.360 nan 0.000 0.402 278 W N 2.085 123.389 121.300 0.006 0.000 2.308 278 W HA -0.247 4.413 4.660 -0.000 0.000 0.301 278 W C 2.090 178.612 176.519 0.005 0.000 1.220 278 W CA 1.271 58.620 57.345 0.007 0.000 1.240 278 W CB -0.012 29.453 29.460 0.010 0.000 1.142 278 W HN 0.566 nan 8.180 nan 0.000 0.521 279 E N 0.306 120.628 120.200 0.204 0.000 2.107 279 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 279 E C 2.310 178.954 176.600 0.073 0.000 0.982 279 E CA 1.158 57.632 56.400 0.123 0.000 0.809 279 E CB -0.266 29.487 29.700 0.088 0.000 0.756 279 E HN 0.159 nan 8.360 nan 0.000 0.459 280 A N 1.003 123.848 122.820 0.041 0.000 1.972 280 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 280 A C 2.105 179.699 177.584 0.017 0.000 1.169 280 A CA 1.236 53.280 52.037 0.011 0.000 0.635 280 A CB -0.567 18.420 19.000 -0.021 0.000 0.810 280 A HN 0.400 nan 8.150 nan 0.000 0.446 281 L N -0.436 120.807 121.223 0.033 0.000 2.056 281 L HA -0.034 4.306 4.340 -0.000 0.000 0.207 281 L C 2.169 179.081 176.870 0.070 0.000 1.078 281 L CA 1.592 56.462 54.840 0.050 0.000 0.749 281 L CB -0.462 41.656 42.059 0.097 0.000 0.901 281 L HN 0.372 nan 8.230 nan 0.000 0.433 282 L N -1.534 119.741 121.223 0.088 0.000 2.141 282 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 282 L C 2.419 179.303 176.870 0.023 0.000 1.094 282 L CA 0.789 55.664 54.840 0.058 0.000 0.763 282 L CB -0.443 41.651 42.059 0.058 0.000 0.908 282 L HN 0.138 nan 8.230 nan 0.000 0.437 283 V N -0.409 119.519 119.914 0.023 0.000 2.427 283 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 283 V C 2.489 178.595 176.094 0.020 0.000 1.051 283 V CA 1.461 63.767 62.300 0.010 0.000 1.048 283 V CB -0.394 31.436 31.823 0.011 0.000 0.666 283 V HN 0.428 nan 8.190 nan 0.000 0.456 284 E N -0.379 119.837 120.200 0.025 0.000 2.072 284 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 284 E C 2.221 178.847 176.600 0.045 0.000 0.985 284 E CA 1.287 57.706 56.400 0.032 0.000 0.801 284 E CB -0.329 29.385 29.700 0.024 0.000 0.750 284 E HN 0.532 nan 8.360 nan 0.000 0.452 285 M N 0.321 119.946 119.600 0.041 0.000 2.149 285 M HA -0.149 4.331 4.480 -0.000 0.000 0.261 285 M C 2.455 178.796 176.300 0.069 0.000 1.064 285 M CA 1.208 56.536 55.300 0.048 0.000 1.102 285 M CB -0.338 32.285 32.600 0.040 0.000 1.369 285 M HN 0.076 nan 8.290 nan 0.000 0.408 286 L N -0.696 120.552 121.223 0.042 0.000 2.056 286 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 286 L C 2.669 179.670 176.870 0.218 0.000 1.078 286 L CA 1.331 56.204 54.840 0.055 0.000 0.749 286 L CB -1.125 40.868 42.059 -0.110 0.000 0.901 286 L HN 0.391 nan 8.230 nan 0.000 0.433 287 G N -0.166 108.717 108.800 0.138 0.000 2.422 287 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 287 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 287 G C 1.623 176.639 174.900 0.193 0.000 1.146 287 G CA 0.408 45.596 45.100 0.148 0.000 0.769 287 G HN 0.206 nan 8.290 nan 0.000 0.547 288 L N -0.248 121.060 121.223 0.142 0.000 2.027 288 L HA 0.070 4.410 4.340 -0.000 0.000 0.206 288 L C 2.848 179.802 176.870 0.140 0.000 1.074 288 L CA 0.461 55.372 54.840 0.119 0.000 0.745 288 L CB -0.401 41.702 42.059 0.074 0.000 0.898 288 L HN 0.157 nan 8.230 nan 0.000 0.433 289 L N -0.638 120.694 121.223 0.181 0.000 2.187 289 L HA -0.272 4.068 4.340 -0.000 0.000 0.213 289 L C 2.606 179.594 176.870 0.198 0.000 1.100 289 L CA 1.235 56.198 54.840 0.206 0.000 0.765 289 L CB -0.443 41.796 42.059 0.300 0.000 0.904 289 L HN 0.417 nan 8.230 nan 0.000 0.437 290 H N -0.276 118.879 119.070 0.142 0.000 2.284 290 H HA -0.085 4.471 4.556 -0.000 0.000 0.304 290 H C 2.450 177.789 175.328 0.019 0.000 1.069 290 H CA 1.370 57.444 56.048 0.043 0.000 1.327 290 H CB 0.084 29.892 29.762 0.077 0.000 1.387 290 H HN 0.002 nan 8.280 nan 0.000 0.498 291 R N 0.296 120.803 120.500 0.011 0.000 2.103 291 R HA -0.146 4.194 4.340 -0.000 0.000 0.242 291 R C 2.481 178.719 176.300 -0.104 0.000 1.142 291 R CA 1.823 57.883 56.100 -0.066 0.000 0.960 291 R CB -0.426 29.922 30.300 0.080 0.000 0.858 291 R HN 0.459 nan 8.270 nan 0.000 0.439 292 I N 0.543 121.091 120.570 -0.038 0.000 2.118 292 I HA -0.313 3.857 4.170 -0.000 0.000 0.241 292 I C 2.612 178.690 176.117 -0.066 0.000 1.070 292 I CA 1.608 62.891 61.300 -0.029 0.000 1.327 292 I CB -0.669 37.336 38.000 0.009 0.000 1.034 292 I HN 0.207 nan 8.210 nan 0.000 0.405 293 A N 0.454 123.215 122.820 -0.099 0.000 2.019 293 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 293 A C 2.329 179.821 177.584 -0.153 0.000 1.164 293 A CA 1.429 53.395 52.037 -0.117 0.000 0.644 293 A CB -0.394 18.522 19.000 -0.140 0.000 0.805 293 A HN 0.332 nan 8.150 nan 0.000 0.449 294 M N -0.623 118.841 119.600 -0.228 0.000 2.200 294 M HA -0.065 4.415 4.480 -0.000 0.000 0.265 294 M C 2.133 178.372 176.300 -0.100 0.000 1.066 294 M CA 1.153 56.339 55.300 -0.190 0.000 1.127 294 M CB -1.088 31.369 32.600 -0.240 0.000 1.379 294 M HN 0.251 nan 8.290 nan 0.000 0.420 295 V N 0.418 120.283 119.914 -0.081 0.000 2.515 295 V HA -0.238 3.881 4.120 -0.000 0.000 0.250 295 V C 2.221 178.293 176.094 -0.036 0.000 1.058 295 V CA 1.407 63.681 62.300 -0.044 0.000 1.064 295 V CB -0.897 30.909 31.823 -0.029 0.000 0.675 295 V HN 0.533 nan 8.190 nan 0.000 0.461 296 Q N -0.883 118.891 119.800 -0.043 0.000 2.297 296 Q HA -0.091 4.249 4.340 -0.000 0.000 0.204 296 Q C 2.075 178.055 176.000 -0.033 0.000 0.962 296 Q CA 0.981 56.766 55.803 -0.031 0.000 0.879 296 Q CB -0.023 28.697 28.738 -0.030 0.000 0.947 296 Q HN 0.504 nan 8.270 nan 0.000 0.462 297 L N -0.437 120.760 121.223 -0.044 0.000 2.221 297 L HA 0.081 4.421 4.340 -0.000 0.000 0.202 297 L C 0.077 176.930 176.870 -0.028 0.000 1.074 297 L CA 0.921 55.739 54.840 -0.038 0.000 0.795 297 L CB 0.710 42.740 42.059 -0.049 0.000 0.960 297 L HN -0.063 nan 8.230 nan 0.000 0.458 298 S N -0.676 115.006 115.700 -0.029 0.000 2.673 298 S HA 0.397 4.867 4.470 -0.000 0.000 0.256 298 S C -2.027 172.562 174.600 -0.018 0.000 1.141 298 S CA -0.902 57.287 58.200 -0.019 0.000 1.109 298 S CB 1.079 64.269 63.200 -0.017 0.000 1.101 298 S HN 0.089 nan 8.310 nan 0.000 0.471 299 P HA -0.113 nan 4.420 nan 0.000 0.231 299 P C 0.976 178.273 177.300 -0.005 0.000 1.154 299 P CA 1.014 64.108 63.100 -0.009 0.000 0.762 299 P CB -0.081 31.615 31.700 -0.006 0.000 0.790 300 A N -0.379 122.439 122.820 -0.004 0.000 2.275 300 A HA 0.422 4.742 4.320 -0.000 0.000 0.212 300 A C 2.285 179.871 177.584 0.004 0.000 1.201 300 A CA 0.624 52.662 52.037 0.002 0.000 0.843 300 A CB -0.691 18.311 19.000 0.004 0.000 0.873 300 A HN 0.205 nan 8.150 nan 0.000 0.492 301 A N -0.138 122.681 122.820 -0.002 0.000 2.076 301 A HA 0.067 4.387 4.320 -0.000 0.000 0.220 301 A C 1.057 178.647 177.584 0.011 0.000 1.160 301 A CA 0.443 52.479 52.037 -0.000 0.000 0.653 301 A CB -0.488 18.498 19.000 -0.024 0.000 0.801 301 A HN 0.451 nan 8.150 nan 0.000 0.455 302 L N 0.576 121.804 121.223 0.009 0.000 2.500 302 L HA 0.199 4.539 4.340 -0.000 0.000 0.272 302 L C 1.446 178.329 176.870 0.022 0.000 1.149 302 L CA -0.316 54.534 54.840 0.016 0.000 0.897 302 L CB 0.553 42.619 42.059 0.012 0.000 1.178 302 L HN 0.402 nan 8.230 nan 0.000 0.473 303 G N 3.475 112.293 108.800 0.030 0.000 2.803 303 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.177 303 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.177 303 G C 0.839 175.756 174.900 0.028 0.000 1.629 303 G CA -0.162 44.957 45.100 0.032 0.000 1.077 303 G HN 0.645 nan 8.290 nan 0.000 0.556 304 N N 0.332 119.051 118.700 0.031 0.000 2.143 304 N HA -0.072 4.668 4.740 -0.000 0.000 0.190 304 N C 1.453 176.976 175.510 0.022 0.000 1.058 304 N CA 1.123 54.189 53.050 0.028 0.000 0.860 304 N CB -0.468 38.041 38.487 0.036 0.000 1.044 304 N HN 0.309 nan 8.380 nan 0.000 0.445 305 D N 0.451 120.865 120.400 0.023 0.000 2.349 305 D HA 0.069 4.709 4.640 -0.000 0.000 0.224 305 D C 1.363 177.673 176.300 0.016 0.000 1.029 305 D CA 0.001 54.010 54.000 0.016 0.000 0.879 305 D CB -0.097 40.712 40.800 0.015 0.000 0.906 305 D HN 0.120 nan 8.370 nan 0.000 0.528 306 M N -0.459 119.154 119.600 0.021 0.000 2.722 306 M HA 0.080 4.560 4.480 -0.000 0.000 0.238 306 M C 1.503 177.812 176.300 0.016 0.000 1.098 306 M CA 0.200 55.513 55.300 0.021 0.000 1.062 306 M CB 0.222 32.839 32.600 0.028 0.000 1.573 306 M HN 0.017 nan 8.290 nan 0.000 0.531 307 A N -0.209 122.618 122.820 0.012 0.000 2.067 307 A HA 0.026 4.346 4.320 -0.000 0.000 0.219 307 A C 2.237 179.825 177.584 0.007 0.000 1.158 307 A CA 1.441 53.483 52.037 0.009 0.000 0.661 307 A CB -0.754 18.250 19.000 0.006 0.000 0.801 307 A HN 0.615 nan 8.150 nan 0.000 0.452 308 A N -0.113 122.711 122.820 0.007 0.000 1.972 308 A HA -0.014 4.306 4.320 -0.000 0.000 0.219 308 A C 1.973 179.560 177.584 0.006 0.000 1.169 308 A CA 1.547 53.587 52.037 0.005 0.000 0.635 308 A CB -0.440 18.563 19.000 0.004 0.000 0.810 308 A HN 0.520 nan 8.150 nan 0.000 0.446 309 I N -2.020 118.556 120.570 0.009 0.000 3.081 309 I HA -0.037 4.133 4.170 -0.000 0.000 0.274 309 I C 1.935 178.057 176.117 0.009 0.000 1.178 309 I CA 0.711 62.017 61.300 0.010 0.000 1.460 309 I CB -0.230 37.778 38.000 0.013 0.000 1.137 309 I HN 0.324 nan 8.210 nan 0.000 0.443 310 E N 1.218 121.424 120.200 0.009 0.000 2.722 310 E HA -0.360 3.990 4.350 -0.000 0.000 0.245 310 E C 1.931 178.535 176.600 0.007 0.000 1.004 310 E CA 2.576 58.981 56.400 0.008 0.000 1.405 310 E CB -0.484 29.221 29.700 0.007 0.000 1.325 310 E HN 0.243 nan 8.360 nan 0.000 0.479 311 L N 0.361 121.588 121.223 0.006 0.000 1.990 311 L HA -0.189 4.151 4.340 -0.000 0.000 0.213 311 L C 2.469 179.343 176.870 0.006 0.000 1.072 311 L CA 2.223 57.066 54.840 0.005 0.000 0.755 311 L CB -0.578 41.484 42.059 0.005 0.000 0.889 311 L HN 0.166 nan 8.230 nan 0.000 0.432 312 R N -1.959 118.545 120.500 0.006 0.000 2.073 312 R HA -0.159 4.180 4.340 -0.000 0.000 0.234 312 R C 2.148 178.452 176.300 0.007 0.000 1.134 312 R CA 1.392 57.496 56.100 0.006 0.000 0.952 312 R CB -0.372 29.931 30.300 0.006 0.000 0.850 312 R HN 0.288 nan 8.270 nan 0.000 0.433 313 M N 0.416 120.021 119.600 0.009 0.000 2.080 313 M HA -0.155 4.325 4.480 -0.000 0.000 0.260 313 M C 2.115 178.420 176.300 0.007 0.000 1.068 313 M CA 1.714 57.020 55.300 0.010 0.000 1.109 313 M CB -0.802 31.806 32.600 0.013 0.000 1.342 313 M HN 0.098 nan 8.290 nan 0.000 0.405 314 R N -0.422 120.082 120.500 0.006 0.000 2.115 314 R HA -0.114 4.225 4.340 -0.000 0.000 0.230 314 R C 2.055 178.358 176.300 0.006 0.000 1.111 314 R CA 0.757 56.859 56.100 0.004 0.000 0.976 314 R CB -0.186 30.116 30.300 0.004 0.000 0.870 314 R HN 0.380 nan 8.270 nan 0.000 0.445 315 E N 0.942 121.146 120.200 0.007 0.000 2.110 315 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 315 E C 2.064 178.671 176.600 0.011 0.000 0.988 315 E CA 1.042 57.448 56.400 0.009 0.000 0.804 315 E CB -0.061 29.644 29.700 0.008 0.000 0.745 315 E HN 0.356 nan 8.360 nan 0.000 0.458 316 L N 0.138 121.367 121.223 0.010 0.000 2.056 316 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 316 L C 2.575 179.454 176.870 0.015 0.000 1.078 316 L CA 0.990 55.837 54.840 0.012 0.000 0.749 316 L CB -0.548 41.514 42.059 0.006 0.000 0.901 316 L HN 0.047 nan 8.230 nan 0.000 0.433 317 A N 1.376 124.202 122.820 0.009 0.000 1.892 317 A HA -0.251 4.068 4.320 -0.000 0.000 0.218 317 A C 2.333 179.922 177.584 0.008 0.000 1.188 317 A CA 2.197 54.238 52.037 0.006 0.000 0.631 317 A CB -0.607 18.392 19.000 -0.002 0.000 0.822 317 A HN 0.576 nan 8.150 nan 0.000 0.447 318 R N -0.605 119.900 120.500 0.009 0.000 2.240 318 R HA -0.011 4.329 4.340 -0.000 0.000 0.203 318 R C 1.650 177.960 176.300 0.016 0.000 1.011 318 R CA 1.685 57.791 56.100 0.010 0.000 1.007 318 R CB -0.774 29.531 30.300 0.008 0.000 0.911 318 R HN 0.509 nan 8.270 nan 0.000 0.468 319 T N -1.781 112.786 114.554 0.021 0.000 3.023 319 T HA 0.306 4.656 4.350 -0.000 0.000 0.249 319 T C 0.829 175.553 174.700 0.040 0.000 1.050 319 T CA -0.220 61.898 62.100 0.029 0.000 1.088 319 T CB 0.049 68.935 68.868 0.031 0.000 0.946 319 T HN 0.083 nan 8.240 nan 0.000 0.480 320 I N 2.624 123.219 120.570 0.042 0.000 2.359 320 I HA 0.415 4.585 4.170 -0.000 0.000 0.294 320 I C -2.645 173.500 176.117 0.048 0.000 0.987 320 I CA -3.091 58.244 61.300 0.059 0.000 1.225 320 I CB 1.758 39.804 38.000 0.076 0.000 1.366 320 I HN -0.121 nan 8.210 nan 0.000 0.466 321 P HA 0.030 nan 4.420 nan 0.000 0.264 321 P C -1.935 175.376 177.300 0.019 0.000 1.193 321 P CA -0.899 62.214 63.100 0.020 0.000 0.763 321 P CB 0.129 31.833 31.700 0.006 0.000 0.810 322 P HA -0.190 nan 4.420 nan 0.000 0.216 322 P C 1.092 178.385 177.300 -0.011 0.000 1.150 322 P CA 1.849 64.948 63.100 -0.001 0.000 0.837 322 P CB -0.453 31.238 31.700 -0.015 0.000 0.786 323 T N 0.172 114.713 114.554 -0.022 0.000 2.699 323 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 323 T C 1.408 176.071 174.700 -0.061 0.000 1.036 323 T CA 1.934 64.011 62.100 -0.038 0.000 1.147 323 T CB -0.865 67.980 68.868 -0.038 0.000 0.862 323 T HN 0.155 nan 8.240 nan 0.000 0.446 324 D N 0.671 121.033 120.400 -0.063 0.000 2.123 324 D HA 0.094 4.734 4.640 -0.000 0.000 0.200 324 D C 2.092 178.349 176.300 -0.072 0.000 0.976 324 D CA 0.462 54.377 54.000 -0.141 0.000 0.831 324 D CB -0.378 40.365 40.800 -0.095 0.000 0.974 324 D HN 0.331 nan 8.370 nan 0.000 0.469 325 I N 0.993 121.613 120.570 0.084 0.000 2.423 325 I HA -0.268 3.902 4.170 -0.000 0.000 0.254 325 I C 2.269 178.475 176.117 0.148 0.000 1.151 325 I CA 0.906 62.322 61.300 0.193 0.000 1.421 325 I CB 0.038 38.110 38.000 0.121 0.000 1.079 325 I HN -0.011 nan 8.210 nan 0.000 0.431 326 Q N -0.005 119.820 119.800 0.042 0.000 2.049 326 Q HA -0.173 4.167 4.340 -0.000 0.000 0.198 326 Q C 2.263 178.298 176.000 0.058 0.000 0.971 326 Q CA 1.290 57.113 55.803 0.034 0.000 0.833 326 Q CB -0.693 28.031 28.738 -0.023 0.000 0.896 326 Q HN 0.435 nan 8.270 nan 0.000 0.434 327 L N 0.153 121.339 121.223 -0.063 0.000 1.997 327 L HA -0.251 4.089 4.340 -0.000 0.000 0.216 327 L C 2.159 178.956 176.870 -0.120 0.000 1.074 327 L CA 1.840 56.587 54.840 -0.155 0.000 0.763 327 L CB -0.760 41.110 42.059 -0.316 0.000 0.890 327 L HN 0.099 nan 8.230 nan 0.000 0.434 328 Y N -1.542 118.792 120.300 0.057 0.000 2.181 328 Y HA -0.286 4.264 4.550 -0.000 0.000 0.288 328 Y C 2.503 178.458 175.900 0.092 0.000 1.146 328 Y CA 2.053 60.192 58.100 0.066 0.000 1.164 328 Y CB -1.206 37.291 38.460 0.063 0.000 0.982 328 Y HN 0.354 nan 8.280 nan 0.000 0.515 329 Y N 0.695 121.088 120.300 0.156 0.000 2.128 329 Y HA -0.338 4.212 4.550 -0.000 0.000 0.284 329 Y C 2.677 178.614 175.900 0.062 0.000 1.154 329 Y CA 2.197 60.360 58.100 0.104 0.000 1.149 329 Y CB -0.504 38.008 38.460 0.087 0.000 0.976 329 Y HN 0.169 nan 8.280 nan 0.000 0.505 330 Q N -0.628 119.317 119.800 0.241 0.000 2.002 330 Q HA -0.212 4.128 4.340 -0.000 0.000 0.204 330 Q C 2.167 178.165 176.000 -0.003 0.000 0.988 330 Q CA 2.703 58.576 55.803 0.116 0.000 0.843 330 Q CB -0.310 28.477 28.738 0.081 0.000 0.908 330 Q HN 0.460 nan 8.270 nan 0.000 0.420 331 T N 1.274 115.830 114.554 0.002 0.000 2.759 331 T HA -0.144 4.206 4.350 -0.000 0.000 0.269 331 T C 1.689 176.384 174.700 -0.008 0.000 1.042 331 T CA 1.147 63.242 62.100 -0.008 0.000 1.140 331 T CB -0.126 68.758 68.868 0.026 0.000 0.864 331 T HN 0.236 nan 8.240 nan 0.000 0.455 332 L N 0.275 121.487 121.223 -0.018 0.000 2.095 332 L HA 0.033 4.373 4.340 -0.000 0.000 0.204 332 L C 2.543 179.349 176.870 -0.107 0.000 1.080 332 L CA 0.519 55.331 54.840 -0.048 0.000 0.759 332 L CB -0.625 41.402 42.059 -0.054 0.000 0.914 332 L HN 0.243 nan 8.230 nan 0.000 0.439 333 L N 0.868 121.972 121.223 -0.199 0.000 1.971 333 L HA -0.270 4.070 4.340 -0.000 0.000 0.215 333 L C 2.569 179.389 176.870 -0.084 0.000 1.072 333 L CA 2.120 56.843 54.840 -0.195 0.000 0.758 333 L CB -0.717 41.207 42.059 -0.224 0.000 0.889 333 L HN 0.186 nan 8.230 nan 0.000 0.433 334 I N -0.054 120.479 120.570 -0.063 0.000 2.113 334 I HA -0.326 3.844 4.170 -0.000 0.000 0.242 334 I C 2.599 178.695 176.117 -0.035 0.000 1.064 334 I CA 1.579 62.853 61.300 -0.043 0.000 1.320 334 I CB -1.118 36.852 38.000 -0.051 0.000 1.028 334 I HN 0.410 nan 8.210 nan 0.000 0.406 335 G N 0.429 109.209 108.800 -0.033 0.000 2.503 335 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.221 335 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.221 335 G C 1.784 176.683 174.900 -0.000 0.000 1.131 335 G CA 0.995 46.085 45.100 -0.017 0.000 0.756 335 G HN 0.350 nan 8.290 nan 0.000 0.572 336 R N 1.124 121.620 120.500 -0.006 0.000 2.092 336 R HA -0.081 4.259 4.340 -0.000 0.000 0.231 336 R C 2.593 178.916 176.300 0.038 0.000 1.119 336 R CA 1.792 57.900 56.100 0.014 0.000 0.970 336 R CB -0.217 30.080 30.300 -0.006 0.000 0.864 336 R HN 0.529 nan 8.270 nan 0.000 0.440 337 K N 0.402 120.824 120.400 0.036 0.000 2.025 337 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 337 K C 1.412 178.109 176.600 0.162 0.000 1.049 337 K CA 1.814 58.149 56.287 0.080 0.000 0.933 337 K CB -0.152 32.386 32.500 0.064 0.000 0.714 337 K HN 0.181 nan 8.250 nan 0.000 0.438 338 E N 0.624 120.884 120.200 0.100 0.000 2.478 338 E HA -0.098 4.252 4.350 -0.000 0.000 0.198 338 E C 1.809 178.520 176.600 0.185 0.000 1.046 338 E CA 0.234 56.709 56.400 0.126 0.000 0.870 338 E CB -0.086 29.538 29.700 -0.126 0.000 0.818 338 E HN 0.208 nan 8.360 nan 0.000 0.527 339 L N 2.053 123.345 121.223 0.114 0.000 2.051 339 L HA -0.173 4.167 4.340 -0.000 0.000 0.214 339 L C -0.690 176.235 176.870 0.091 0.000 1.076 339 L CA 2.052 56.940 54.840 0.081 0.000 0.758 339 L CB -0.781 41.318 42.059 0.066 0.000 0.890 339 L HN 0.127 nan 8.230 nan 0.000 0.433 340 P HA -0.097 nan 4.420 nan 0.000 0.255 340 P C 1.029 178.361 177.300 0.053 0.000 1.248 340 P CA 0.905 64.037 63.100 0.053 0.000 0.807 340 P CB 0.002 31.708 31.700 0.011 0.000 1.150 341 Y N 1.197 121.495 120.300 -0.003 0.000 2.337 341 Y HA 0.170 4.720 4.550 -0.000 0.000 0.293 341 Y C 1.755 177.649 175.900 -0.011 0.000 1.123 341 Y CA 0.294 58.391 58.100 -0.005 0.000 1.201 341 Y CB -0.485 37.972 38.460 -0.006 0.000 1.011 341 Y HN -0.096 nan 8.280 nan 0.000 0.545 342 A N 1.777 124.688 122.820 0.152 0.000 2.477 342 A HA 0.067 4.387 4.320 -0.000 0.000 0.246 342 A C -1.088 176.516 177.584 0.033 0.000 1.078 342 A CA -0.944 51.129 52.037 0.060 0.000 0.770 342 A CB -0.299 18.707 19.000 0.011 0.000 1.011 342 A HN 0.218 nan 8.150 nan 0.000 0.494 343 P HA -0.121 nan 4.420 nan 0.000 0.218 343 P C 0.012 177.310 177.300 -0.003 0.000 1.146 343 P CA 1.527 64.631 63.100 0.007 0.000 0.813 343 P CB 0.173 31.873 31.700 -0.001 0.000 0.778 344 D N -1.887 118.499 120.400 -0.023 0.000 2.927 344 D HA 0.141 4.781 4.640 -0.000 0.000 0.219 344 D C 0.845 177.094 176.300 -0.084 0.000 1.248 344 D CA -0.679 53.299 54.000 -0.038 0.000 0.861 344 D CB 1.444 42.213 40.800 -0.052 0.000 1.677 344 D HN -0.303 nan 8.370 nan 0.000 0.511 345 R N 1.374 121.836 120.500 -0.063 0.000 2.127 345 R HA -0.124 4.216 4.340 -0.000 0.000 0.238 345 R C 2.123 178.146 176.300 -0.463 0.000 1.134 345 R CA 1.254 57.287 56.100 -0.111 0.000 0.975 345 R CB 0.100 30.460 30.300 0.099 0.000 0.865 345 R HN 0.393 nan 8.270 nan 0.000 0.447 346 R N 0.737 120.803 120.500 -0.722 0.000 2.073 346 R HA -0.048 4.292 4.340 -0.000 0.000 0.229 346 R C 2.191 178.114 176.300 -0.629 0.000 1.120 346 R CA 1.280 56.652 56.100 -1.212 0.000 0.967 346 R CB -0.176 29.568 30.300 -0.928 0.000 0.862 346 R HN 0.167 nan 8.270 nan 0.000 0.436 347 M N 0.423 119.815 119.600 -0.346 0.000 2.358 347 M HA -0.052 4.428 4.480 -0.000 0.000 0.264 347 M C 1.678 177.871 176.300 -0.179 0.000 1.064 347 M CA 1.828 57.002 55.300 -0.210 0.000 1.093 347 M CB -0.137 32.388 32.600 -0.125 0.000 1.401 347 M HN 0.359 nan 8.290 nan 0.000 0.440 348 G N -0.309 108.374 108.800 -0.195 0.000 2.404 348 G HA2 -0.138 3.821 3.960 -0.000 0.000 0.215 348 G HA3 -0.138 3.821 3.960 -0.000 0.000 0.215 348 G C 1.269 176.091 174.900 -0.129 0.000 1.174 348 G CA 0.795 45.823 45.100 -0.120 0.000 0.780 348 G HN 0.371 nan 8.290 nan 0.000 0.537 349 V N 0.909 120.690 119.914 -0.222 0.000 2.515 349 V HA -0.145 3.975 4.120 -0.000 0.000 0.250 349 V C 2.659 178.675 176.094 -0.131 0.000 1.058 349 V CA 2.067 64.269 62.300 -0.164 0.000 1.064 349 V CB -0.403 31.279 31.823 -0.236 0.000 0.675 349 V HN 0.481 nan 8.190 nan 0.000 0.461 350 E N -0.561 119.528 120.200 -0.185 0.000 2.072 350 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 350 E C 2.330 178.895 176.600 -0.058 0.000 0.985 350 E CA 1.117 57.451 56.400 -0.110 0.000 0.801 350 E CB -0.192 29.431 29.700 -0.127 0.000 0.750 350 E HN 0.435 nan 8.360 nan 0.000 0.452 351 M N 0.735 120.297 119.600 -0.062 0.000 2.082 351 M HA -0.160 4.320 4.480 -0.000 0.000 0.258 351 M C 2.365 178.666 176.300 0.002 0.000 1.069 351 M CA 1.628 56.911 55.300 -0.028 0.000 1.102 351 M CB -1.140 31.440 32.600 -0.033 0.000 1.336 351 M HN 0.142 nan 8.290 nan 0.000 0.404 352 T N 1.540 116.092 114.554 -0.002 0.000 2.668 352 T HA -0.069 4.281 4.350 -0.000 0.000 0.262 352 T C 2.024 176.759 174.700 0.058 0.000 1.045 352 T CA 1.147 63.263 62.100 0.027 0.000 1.152 352 T CB -0.517 68.361 68.868 0.016 0.000 0.864 352 T HN 0.316 nan 8.240 nan 0.000 0.419 353 L N 0.622 121.872 121.223 0.045 0.000 2.083 353 L HA -0.024 4.316 4.340 -0.000 0.000 0.209 353 L C 2.590 179.507 176.870 0.077 0.000 1.083 353 L CA 1.113 55.993 54.840 0.068 0.000 0.752 353 L CB -0.835 41.254 42.059 0.049 0.000 0.899 353 L HN 0.247 nan 8.230 nan 0.000 0.433 354 L N -0.329 120.923 121.223 0.049 0.000 2.201 354 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 354 L C 2.807 179.721 176.870 0.073 0.000 1.105 354 L CA 0.783 55.649 54.840 0.044 0.000 0.775 354 L CB -0.409 41.657 42.059 0.013 0.000 0.913 354 L HN 0.249 nan 8.230 nan 0.000 0.440 355 R N 0.781 121.343 120.500 0.103 0.000 2.075 355 R HA -0.099 4.241 4.340 -0.000 0.000 0.232 355 R C 2.165 178.622 176.300 0.261 0.000 1.126 355 R CA 1.649 57.858 56.100 0.182 0.000 0.963 355 R CB -0.475 29.931 30.300 0.178 0.000 0.858 355 R HN 0.283 nan 8.270 nan 0.000 0.435 356 A N -0.361 122.599 122.820 0.234 0.000 2.066 356 A HA 0.012 4.332 4.320 -0.000 0.000 0.218 356 A C 1.765 179.569 177.584 0.367 0.000 1.157 356 A CA 0.724 52.953 52.037 0.321 0.000 0.670 356 A CB -0.263 18.973 19.000 0.393 0.000 0.804 356 A HN 0.261 nan 8.150 nan 0.000 0.453 357 L N -0.716 120.659 121.223 0.253 0.000 2.095 357 L HA 0.038 4.378 4.340 -0.000 0.000 0.204 357 L C 2.850 179.814 176.870 0.157 0.000 1.080 357 L CA 1.760 56.726 54.840 0.210 0.000 0.759 357 L CB -1.055 41.062 42.059 0.097 0.000 0.914 357 L HN 0.369 nan 8.230 nan 0.000 0.439 358 A N -1.107 121.749 122.820 0.061 0.000 1.840 358 A HA -0.125 4.195 4.320 -0.000 0.000 0.214 358 A C 1.445 178.973 177.584 -0.093 0.000 1.198 358 A CA 0.833 52.813 52.037 -0.094 0.000 0.608 358 A CB -1.016 17.821 19.000 -0.272 0.000 0.839 358 A HN 0.274 nan 8.150 nan 0.000 0.443 359 F N 0.536 120.527 119.950 0.068 0.000 2.668 359 F HA 0.146 4.673 4.527 -0.000 0.000 0.365 359 F C 0.508 176.317 175.800 0.015 0.000 1.165 359 F CA 0.213 58.228 58.000 0.025 0.000 1.344 359 F CB -0.575 38.417 39.000 -0.014 0.000 1.658 359 F HN 0.332 nan 8.300 nan 0.000 0.620 360 H N 2.260 121.396 119.070 0.110 0.000 2.638 360 H HA 0.275 4.831 4.556 -0.000 0.000 0.317 360 H C -2.322 173.046 175.328 0.066 0.000 1.006 360 H CA -2.459 53.648 56.048 0.100 0.000 1.222 360 H CB 1.141 30.984 29.762 0.135 0.000 1.419 360 H HN -0.028 nan 8.280 nan 0.000 0.489 361 P HA 0.053 nan 4.420 nan 0.000 0.270 361 P C -0.618 176.899 177.300 0.360 0.000 1.242 361 P CA 0.053 63.262 63.100 0.182 0.000 0.768 361 P CB 0.568 32.299 31.700 0.051 0.000 0.820 362 R N 0.370 120.991 120.500 0.202 0.000 3.390 362 R HA -0.095 4.244 4.340 -0.000 0.000 0.280 362 R C 0.128 176.452 176.300 0.041 0.000 1.126 362 R CA 0.338 56.511 56.100 0.122 0.000 0.757 362 R CB -1.975 28.397 30.300 0.120 0.000 1.296 362 R HN 0.558 nan 8.270 nan 0.000 0.431 363 M N 0.284 119.907 119.600 0.038 0.000 2.812 363 M HA 0.484 4.964 4.480 -0.000 0.000 0.285 363 M C -1.933 174.343 176.300 -0.040 0.000 1.216 363 M CA -2.159 53.103 55.300 -0.065 0.000 0.749 363 M CB 1.537 34.133 32.600 -0.007 0.000 1.756 363 M HN -0.157 nan 8.290 nan 0.000 0.439 364 P HA -0.097 nan 4.420 nan 0.000 0.261 364 P C -1.662 175.602 177.300 -0.060 0.000 1.140 364 P CA 0.992 64.058 63.100 -0.056 0.000 0.757 364 P CB -0.028 31.636 31.700 -0.060 0.000 0.735 365 L N 4.690 125.882 121.223 -0.051 0.000 2.303 365 L HA 0.614 4.954 4.340 -0.000 0.000 0.266 365 L C -1.462 175.379 176.870 -0.047 0.000 1.011 365 L CA -2.078 52.733 54.840 -0.048 0.000 0.818 365 L CB 1.706 43.745 42.059 -0.032 0.000 1.326 365 L HN 0.384 nan 8.230 nan 0.000 0.435 366 P HA 0.566 nan 4.420 nan 0.000 0.283 366 P C -1.403 175.881 177.300 -0.027 0.000 1.271 366 P CA -0.497 62.580 63.100 -0.038 0.000 0.841 366 P CB 2.184 33.859 31.700 -0.040 0.000 1.122 367 E N -0.519 119.666 120.200 -0.024 0.000 2.447 367 E HA 0.379 4.728 4.350 -0.000 0.000 0.279 367 E C -2.019 174.572 176.600 -0.016 0.000 1.053 367 E CA -1.200 55.189 56.400 -0.018 0.000 0.840 367 E CB 0.654 30.343 29.700 -0.018 0.000 1.409 367 E HN 0.575 nan 8.360 nan 0.000 0.461 368 P HA 0.000 nan 4.420 nan 0.000 0.216 368 P CA 0.000 63.093 63.100 -0.011 0.000 0.800 368 P CB 0.000 31.695 31.700 -0.009 0.000 0.726