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 2oqh_1_D DATA FIRST_RESID 2 DATA SEQUENCE SLKITDVDVW VVNLPLVNPF XXXXETKTGE TRTVVRVRTD SGVEGWGETX DATA SEQUENCE WGAPVAAIVR RXAPDLIGTS PFALEAFHRK QHXVPFFYGY LGYAAIAAVD DATA SEQUENCE VACWDAXGKA TGQSVTDLLG GAVRDEVPIT ALITRADAPG ATPADLPKAX DATA SEQUENCE AEHAVRVVEE GGFDAVKLKG TTDCAGDVAI LRAVREALPG VNLRVDPNAA DATA SEQUENCE WSVPDSVRAG IALEELDLEY LEDPCVGIEG XAQVKAKVRI PLCTNXCVVR DATA SEQUENCE FEDFAPAXRL NAVDVIHGDV YKWGGIAATK ALAAHCETFG LGXNLHSGGE DATA SEQUENCE LGIATAAHLA VVSSTPVLSR AIDSXYYLHA DDIIEPLHLE NGRLRVPSGP DATA SEQUENCE GLGVSVDEDK LRHYAGVNER DGDLT 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.611 174.600 0.019 0.000 1.055 2 S CA 0.000 58.201 58.200 0.001 0.000 1.107 2 S CB 0.000 63.198 63.200 -0.004 0.000 0.593 3 L N 4.345 125.594 121.223 0.043 0.000 2.462 3 L HA 0.503 4.843 4.340 -0.000 0.000 0.272 3 L C -0.293 176.604 176.870 0.046 0.000 1.166 3 L CA 1.213 56.092 54.840 0.065 0.000 0.880 3 L CB -0.141 42.004 42.059 0.143 0.000 1.142 3 L HN 0.665 nan 8.230 nan 0.000 0.473 4 K N 5.379 125.789 120.400 0.016 0.000 2.435 4 K HA 0.527 4.847 4.320 -0.000 0.000 0.251 4 K C -1.050 175.533 176.600 -0.029 0.000 0.954 4 K CA -0.834 55.450 56.287 -0.004 0.000 0.820 4 K CB 2.026 34.523 32.500 -0.006 0.000 1.292 4 K HN 0.461 nan 8.250 nan 0.000 0.436 5 I N 2.064 122.605 120.570 -0.050 0.000 2.416 5 I HA 0.003 4.173 4.170 -0.000 0.000 0.288 5 I C 1.391 177.471 176.117 -0.062 0.000 1.051 5 I CA 0.110 61.365 61.300 -0.075 0.000 1.375 5 I CB 1.192 39.127 38.000 -0.108 0.000 1.407 5 I HN 0.856 nan 8.210 nan 0.000 0.516 6 T N 0.126 114.643 114.554 -0.062 0.000 3.023 6 T HA 0.219 4.569 4.350 -0.000 0.000 0.249 6 T C 0.368 175.030 174.700 -0.063 0.000 1.050 6 T CA 0.051 62.120 62.100 -0.051 0.000 1.088 6 T CB 0.362 69.207 68.868 -0.039 0.000 0.946 6 T HN 0.479 nan 8.240 nan 0.000 0.480 7 D N 0.344 120.694 120.400 -0.083 0.000 2.753 7 D HA 0.512 5.152 4.640 -0.000 0.000 0.224 7 D C -1.668 174.553 176.300 -0.132 0.000 1.213 7 D CA -0.420 53.521 54.000 -0.098 0.000 0.833 7 D CB 3.199 43.946 40.800 -0.088 0.000 1.607 7 D HN 0.022 nan 8.370 nan 0.000 0.463 8 V N 2.119 121.947 119.914 -0.143 0.000 2.419 8 V HA 0.268 4.388 4.120 -0.000 0.000 0.287 8 V C -0.751 175.219 176.094 -0.206 0.000 1.017 8 V CA -0.739 61.462 62.300 -0.166 0.000 0.844 8 V CB 1.897 33.635 31.823 -0.141 0.000 1.011 8 V HN 0.411 nan 8.190 nan 0.000 0.429 9 D N 3.198 123.434 120.400 -0.272 0.000 2.252 9 D HA 0.704 5.344 4.640 -0.000 0.000 0.245 9 D C -0.759 175.225 176.300 -0.528 0.000 1.009 9 D CA -0.238 53.472 54.000 -0.483 0.000 0.870 9 D CB 3.070 43.487 40.800 -0.639 0.000 1.251 9 D HN 0.280 nan 8.370 nan 0.000 0.460 10 V N 1.544 121.067 119.914 -0.652 0.000 2.789 10 V HA 0.494 4.614 4.120 -0.000 0.000 0.311 10 V C -0.699 175.116 176.094 -0.464 0.000 1.073 10 V CA -0.887 61.202 62.300 -0.352 0.000 0.921 10 V CB 2.758 34.480 31.823 -0.169 0.000 1.009 10 V HN 0.481 nan 8.190 nan 0.000 0.426 11 W N 1.781 123.122 121.300 0.068 0.000 3.032 11 W HA 0.711 5.371 4.660 -0.000 0.000 0.335 11 W C -1.378 175.182 176.519 0.069 0.000 1.154 11 W CA -0.689 56.702 57.345 0.077 0.000 1.204 11 W CB 2.326 31.856 29.460 0.116 0.000 1.416 11 W HN 0.282 nan 8.180 nan 0.000 0.521 12 V N 3.566 123.647 119.914 0.279 0.000 2.378 12 V HA 0.374 4.494 4.120 -0.000 0.000 0.288 12 V C -0.033 176.159 176.094 0.164 0.000 1.016 12 V CA -0.746 61.659 62.300 0.175 0.000 0.840 12 V CB 1.302 33.190 31.823 0.108 0.000 0.994 12 V HN 0.333 nan 8.190 nan 0.000 0.431 13 V N 2.485 122.479 119.914 0.132 0.000 2.919 13 V HA 0.765 4.885 4.120 -0.000 0.000 0.316 13 V C -0.600 175.520 176.094 0.043 0.000 1.077 13 V CA -0.844 61.518 62.300 0.105 0.000 0.977 13 V CB 2.461 34.349 31.823 0.108 0.000 1.039 13 V HN 0.684 nan 8.190 nan 0.000 0.441 14 N N 2.601 121.328 118.700 0.044 0.000 2.443 14 N HA 0.714 5.454 4.740 -0.000 0.000 0.269 14 N C -1.108 174.364 175.510 -0.064 0.000 0.985 14 N CA -0.161 52.888 53.050 -0.003 0.000 0.921 14 N CB 1.404 39.901 38.487 0.017 0.000 1.195 14 N HN 0.781 nan 8.380 nan 0.000 0.492 15 L N 3.368 124.489 121.223 -0.170 0.000 2.346 15 L HA 0.633 4.973 4.340 -0.000 0.000 0.274 15 L C -1.996 174.752 176.870 -0.204 0.000 1.007 15 L CA -1.900 52.726 54.840 -0.356 0.000 0.818 15 L CB 2.428 44.265 42.059 -0.370 0.000 1.284 15 L HN 0.301 nan 8.230 nan 0.000 0.424 16 P HA 0.283 nan 4.420 nan 0.000 0.274 16 P C -1.253 175.985 177.300 -0.103 0.000 1.231 16 P CA -0.185 62.861 63.100 -0.090 0.000 0.790 16 P CB 1.397 33.079 31.700 -0.031 0.000 0.951 17 L N 0.921 122.094 121.223 -0.084 0.000 2.376 17 L HA 0.715 5.055 4.340 -0.000 0.000 0.258 17 L C -0.427 176.389 176.870 -0.090 0.000 1.013 17 L CA -1.164 53.618 54.840 -0.097 0.000 0.822 17 L CB 2.454 44.461 42.059 -0.086 0.000 1.388 17 L HN 0.161 nan 8.230 nan 0.000 0.413 18 V N 1.308 121.157 119.914 -0.109 0.000 2.969 18 V HA 0.482 4.602 4.120 -0.000 0.000 0.304 18 V C -1.636 174.412 176.094 -0.077 0.000 1.192 18 V CA -0.458 61.786 62.300 -0.094 0.000 0.962 18 V CB 2.362 34.113 31.823 -0.122 0.000 1.045 18 V HN 0.822 nan 8.190 nan 0.000 0.428 19 N N 7.358 126.038 118.700 -0.033 0.000 2.485 19 N HA 0.541 5.281 4.740 -0.000 0.000 0.243 19 N C -1.399 174.077 175.510 -0.056 0.000 0.987 19 N CA -1.976 51.092 53.050 0.030 0.000 0.940 19 N CB 1.784 40.329 38.487 0.096 0.000 1.122 19 N HN 0.585 nan 8.380 nan 0.000 0.509 20 P HA 0.100 nan 4.420 nan 0.000 0.245 20 P C -0.618 176.333 177.300 -0.582 0.000 1.212 20 P CA 0.404 63.228 63.100 -0.459 0.000 0.774 20 P CB 0.031 31.350 31.700 -0.635 0.000 0.999 27 T N 1.854 116.401 114.554 -0.012 0.000 2.771 27 T HA 0.234 4.584 4.350 -0.000 0.000 0.291 27 T C -0.110 174.580 174.700 -0.017 0.000 0.954 27 T CA -0.446 61.646 62.100 -0.015 0.000 1.045 27 T CB 0.735 69.596 68.868 -0.012 0.000 0.917 27 T HN 0.196 nan 8.240 nan 0.000 0.484 28 K N 2.159 122.546 120.400 -0.021 0.000 2.295 28 K HA 0.184 4.504 4.320 -0.000 0.000 0.270 28 K C 0.209 176.792 176.600 -0.028 0.000 1.011 28 K CA -0.223 56.049 56.287 -0.024 0.000 0.953 28 K CB 0.476 32.958 32.500 -0.030 0.000 0.956 28 K HN 0.515 nan 8.250 nan 0.000 0.477 29 T N 2.010 116.547 114.554 -0.030 0.000 2.870 29 T HA 0.103 4.453 4.350 -0.000 0.000 0.300 29 T C 0.678 175.351 174.700 -0.044 0.000 0.989 29 T CA -0.356 61.723 62.100 -0.035 0.000 1.139 29 T CB 1.159 70.004 68.868 -0.039 0.000 0.920 29 T HN 0.736 nan 8.240 nan 0.000 0.537 30 G N 2.010 110.783 108.800 -0.045 0.000 2.468 30 G HA2 0.484 4.444 3.960 -0.000 0.000 0.264 30 G HA3 0.484 4.444 3.960 -0.000 0.000 0.264 30 G C -0.321 174.538 174.900 -0.068 0.000 1.460 30 G CA -0.535 44.530 45.100 -0.058 0.000 1.060 30 G HN 0.842 nan 8.290 nan 0.000 0.543 31 E N -2.458 117.696 120.200 -0.077 0.000 2.383 31 E HA 0.511 4.861 4.350 -0.000 0.000 0.275 31 E C -1.456 175.099 176.600 -0.075 0.000 0.918 31 E CA -0.839 55.513 56.400 -0.080 0.000 0.764 31 E CB 1.512 31.169 29.700 -0.072 0.000 1.252 31 E HN 0.228 nan 8.360 nan 0.000 0.449 32 T N 2.220 116.725 114.554 -0.080 0.000 2.837 32 T HA 0.502 4.852 4.350 -0.000 0.000 0.285 32 T C -0.472 174.219 174.700 -0.014 0.000 0.984 32 T CA -0.780 61.289 62.100 -0.052 0.000 1.049 32 T CB 0.617 69.441 68.868 -0.073 0.000 0.947 32 T HN 0.270 nan 8.240 nan 0.000 0.472 33 R N 1.363 121.872 120.500 0.014 0.000 2.774 33 R HA 0.582 4.922 4.340 -0.000 0.000 0.272 33 R C -0.967 175.380 176.300 0.079 0.000 1.000 33 R CA -0.808 55.314 56.100 0.036 0.000 0.906 33 R CB 1.708 32.007 30.300 -0.003 0.000 1.227 33 R HN 0.510 nan 8.270 nan 0.000 0.468 34 T N 0.985 115.596 114.554 0.095 0.000 2.779 34 T HA 0.441 4.791 4.350 -0.000 0.000 0.280 34 T C -0.279 174.522 174.700 0.168 0.000 0.987 34 T CA -0.492 61.690 62.100 0.136 0.000 0.966 34 T CB 1.610 70.549 68.868 0.119 0.000 0.933 34 T HN 0.132 nan 8.240 nan 0.000 0.442 35 V N 4.106 124.180 119.914 0.266 0.000 2.483 35 V HA 0.611 4.731 4.120 -0.000 0.000 0.295 35 V C -0.218 176.143 176.094 0.445 0.000 1.035 35 V CA -0.653 61.864 62.300 0.361 0.000 0.896 35 V CB 1.843 33.913 31.823 0.412 0.000 0.986 35 V HN 0.671 nan 8.190 nan 0.000 0.447 36 V N 5.007 125.142 119.914 0.369 0.000 2.656 36 V HA 0.609 4.729 4.120 -0.000 0.000 0.307 36 V C -0.212 175.947 176.094 0.109 0.000 1.051 36 V CA -0.824 61.609 62.300 0.222 0.000 0.893 36 V CB 2.071 33.956 31.823 0.104 0.000 0.999 36 V HN 0.885 nan 8.190 nan 0.000 0.426 37 R N 2.943 123.389 120.500 -0.091 0.000 2.480 37 R HA 0.745 5.085 4.340 -0.000 0.000 0.306 37 R C -1.943 174.143 176.300 -0.356 0.000 0.958 37 R CA -0.411 55.366 56.100 -0.538 0.000 0.861 37 R CB 2.021 31.805 30.300 -0.859 0.000 1.171 37 R HN 0.533 nan 8.270 nan 0.000 0.445 38 V N 5.460 125.163 119.914 -0.352 0.000 2.347 38 V HA 0.416 4.536 4.120 -0.000 0.000 0.280 38 V C 0.017 175.971 176.094 -0.233 0.000 1.021 38 V CA -0.624 61.528 62.300 -0.247 0.000 0.847 38 V CB 1.297 32.992 31.823 -0.214 0.000 0.990 38 V HN 0.694 nan 8.190 nan 0.000 0.444 39 R N 3.121 123.513 120.500 -0.181 0.000 2.532 39 R HA 0.709 5.049 4.340 -0.000 0.000 0.295 39 R C 0.064 176.307 176.300 -0.094 0.000 0.968 39 R CA -0.243 55.780 56.100 -0.128 0.000 0.916 39 R CB 1.670 31.911 30.300 -0.099 0.000 1.124 39 R HN 0.854 nan 8.270 nan 0.000 0.463 40 T N -1.075 113.439 114.554 -0.068 0.000 2.940 40 T HA 0.185 4.535 4.350 -0.000 0.000 0.288 40 T C 0.459 175.144 174.700 -0.024 0.000 1.045 40 T CA -0.770 61.302 62.100 -0.047 0.000 1.018 40 T CB 1.405 70.249 68.868 -0.040 0.000 1.151 40 T HN 0.645 nan 8.240 nan 0.000 0.529 41 D N -0.156 120.235 120.400 -0.014 0.000 2.363 41 D HA -0.019 4.621 4.640 -0.000 0.000 0.226 41 D C 1.658 177.961 176.300 0.004 0.000 1.020 41 D CA 0.551 54.548 54.000 -0.005 0.000 0.892 41 D CB -0.327 40.471 40.800 -0.004 0.000 0.900 41 D HN 0.524 nan 8.370 nan 0.000 0.531 42 S N -1.767 113.938 115.700 0.008 0.000 2.511 42 S HA 0.417 4.887 4.470 -0.000 0.000 0.214 42 S C 1.810 176.420 174.600 0.017 0.000 0.997 42 S CA 0.313 58.523 58.200 0.017 0.000 0.908 42 S CB 0.193 63.410 63.200 0.028 0.000 0.803 42 S HN 0.488 nan 8.310 nan 0.000 0.504 43 G N 0.568 109.375 108.800 0.011 0.000 2.259 43 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 43 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 43 G C 0.077 174.989 174.900 0.019 0.000 1.001 43 G CA -0.164 44.947 45.100 0.017 0.000 0.627 43 G HN 0.671 nan 8.290 nan 0.000 0.501 44 V N 2.170 122.093 119.914 0.016 0.000 2.673 44 V HA 0.359 4.479 4.120 -0.000 0.000 0.303 44 V C 0.445 176.533 176.094 -0.010 0.000 1.046 44 V CA 0.697 63.006 62.300 0.016 0.000 1.126 44 V CB 1.148 32.977 31.823 0.010 0.000 0.934 44 V HN 0.443 nan 8.190 nan 0.000 0.487 45 E N 3.087 123.293 120.200 0.010 0.000 2.210 45 E HA 0.617 4.967 4.350 -0.000 0.000 0.266 45 E C -0.004 176.568 176.600 -0.047 0.000 0.883 45 E CA -0.547 55.819 56.400 -0.056 0.000 0.761 45 E CB 2.224 31.916 29.700 -0.013 0.000 1.156 45 E HN 0.788 nan 8.360 nan 0.000 0.412 46 G N 2.252 110.948 108.800 -0.174 0.000 2.416 46 G HA2 0.499 4.459 3.960 -0.000 0.000 0.329 46 G HA3 0.499 4.459 3.960 -0.000 0.000 0.329 46 G C -1.533 173.256 174.900 -0.185 0.000 1.173 46 G CA -0.531 44.526 45.100 -0.071 0.000 0.929 46 G HN 0.365 nan 8.290 nan 0.000 0.475 47 W N 0.359 121.691 121.300 0.052 0.000 2.689 47 W HA 0.685 5.345 4.660 0.000 0.000 0.340 47 W C 0.335 176.904 176.519 0.083 0.000 1.060 47 W CA -0.478 56.909 57.345 0.070 0.000 1.218 47 W CB 2.866 32.357 29.460 0.051 0.000 1.410 47 W HN 0.806 nan 8.180 nan 0.000 0.528 48 G N 1.022 110.033 108.800 0.351 0.000 2.612 48 G HA2 0.602 4.562 3.960 -0.000 0.000 0.298 48 G HA3 0.602 4.562 3.960 -0.000 0.000 0.298 48 G C -2.008 173.039 174.900 0.244 0.000 1.336 48 G CA -0.675 44.584 45.100 0.265 0.000 0.953 48 G HN 0.370 nan 8.290 nan 0.000 0.482 49 E N -0.006 120.295 120.200 0.169 0.000 2.275 49 E HA 0.599 4.949 4.350 -0.000 0.000 0.270 49 E C -1.292 175.263 176.600 -0.075 0.000 0.882 49 E CA -0.494 55.944 56.400 0.063 0.000 0.758 49 E CB 2.587 32.285 29.700 -0.002 0.000 1.195 49 E HN 0.447 nan 8.360 nan 0.000 0.419 53 G N -0.323 108.612 108.800 0.224 0.000 2.851 53 G HA2 0.471 4.431 3.960 -0.000 0.000 0.208 53 G HA3 0.471 4.431 3.960 -0.000 0.000 0.208 53 G C 1.093 176.067 174.900 0.122 0.000 1.894 53 G CA 0.854 46.029 45.100 0.126 0.000 0.732 53 G HN 0.878 nan 8.290 nan 0.000 0.802 54 A N 1.585 124.457 122.820 0.087 0.000 1.894 54 A HA -0.084 4.236 4.320 -0.000 0.000 0.220 54 A C 0.928 178.563 177.584 0.085 0.000 1.237 54 A CA 3.205 55.285 52.037 0.072 0.000 0.660 54 A CB -1.772 17.260 19.000 0.055 0.000 0.835 54 A HN 0.422 nan 8.150 nan 0.000 0.461 55 P HA -0.085 nan 4.420 nan 0.000 0.217 55 P C 1.605 178.936 177.300 0.050 0.000 1.150 55 P CA 1.665 64.838 63.100 0.122 0.000 0.832 55 P CB -0.265 31.559 31.700 0.206 0.000 0.787 56 V N 1.020 120.979 119.914 0.074 0.000 2.323 56 V HA -0.161 3.959 4.120 -0.000 0.000 0.244 56 V C 2.916 179.005 176.094 -0.008 0.000 1.041 56 V CA 2.097 64.403 62.300 0.010 0.000 1.025 56 V CB -1.730 30.127 31.823 0.057 0.000 0.656 56 V HN 0.089 nan 8.190 nan 0.000 0.451 57 A N 0.140 122.977 122.820 0.027 0.000 1.940 57 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 57 A C 2.410 179.976 177.584 -0.030 0.000 1.176 57 A CA 2.149 54.190 52.037 0.007 0.000 0.631 57 A CB -0.751 18.263 19.000 0.023 0.000 0.814 57 A HN 0.577 nan 8.150 nan 0.000 0.446 58 A N 0.021 122.825 122.820 -0.027 0.000 1.902 58 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 58 A C 2.109 179.635 177.584 -0.097 0.000 1.181 58 A CA 1.563 53.575 52.037 -0.041 0.000 0.623 58 A CB -0.595 18.401 19.000 -0.007 0.000 0.818 58 A HN 0.517 nan 8.150 nan 0.000 0.443 59 I N -0.456 120.005 120.570 -0.182 0.000 2.226 59 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 59 I C 2.309 178.329 176.117 -0.162 0.000 1.100 59 I CA 1.064 62.172 61.300 -0.319 0.000 1.374 59 I CB -0.373 37.315 38.000 -0.520 0.000 1.057 59 I HN 0.143 nan 8.210 nan 0.000 0.413 60 V N 0.869 120.727 119.914 -0.093 0.000 2.343 60 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 60 V C 2.504 178.571 176.094 -0.046 0.000 1.051 60 V CA 1.848 64.124 62.300 -0.040 0.000 1.036 60 V CB -0.790 31.024 31.823 -0.016 0.000 0.654 60 V HN 0.374 nan 8.190 nan 0.000 0.451 61 R N -0.744 119.719 120.500 -0.061 0.000 2.148 61 R HA -0.015 4.325 4.340 -0.000 0.000 0.227 61 R C 1.486 177.759 176.300 -0.046 0.000 1.103 61 R CA 0.556 56.619 56.100 -0.063 0.000 0.983 61 R CB -0.102 30.157 30.300 -0.068 0.000 0.874 61 R HN 0.496 nan 8.270 nan 0.000 0.451 65 P HA -0.100 nan 4.420 nan 0.000 0.218 65 P C 0.521 177.823 177.300 0.003 0.000 1.148 65 P CA 1.574 64.667 63.100 -0.012 0.000 0.822 65 P CB -0.045 31.650 31.700 -0.007 0.000 0.784 66 D N -1.034 119.383 120.400 0.028 0.000 2.219 66 D HA -0.069 4.571 4.640 -0.000 0.000 0.205 66 D C 1.810 178.136 176.300 0.045 0.000 0.970 66 D CA 0.957 54.989 54.000 0.054 0.000 0.851 66 D CB -0.176 40.685 40.800 0.101 0.000 0.943 66 D HN 0.237 nan 8.370 nan 0.000 0.488 67 L N 0.531 121.758 121.223 0.006 0.000 2.270 67 L HA 0.002 4.342 4.340 -0.000 0.000 0.210 67 L C 0.759 177.592 176.870 -0.062 0.000 1.104 67 L CA 0.081 54.886 54.840 -0.058 0.000 0.804 67 L CB 0.115 42.088 42.059 -0.143 0.000 0.937 67 L HN -0.083 nan 8.230 nan 0.000 0.450 68 I N 1.145 121.687 120.570 -0.046 0.000 2.683 68 I HA 0.050 4.220 4.170 -0.000 0.000 0.286 68 I C 1.499 177.599 176.117 -0.028 0.000 1.175 68 I CA 1.108 62.382 61.300 -0.044 0.000 1.429 68 I CB -0.376 37.602 38.000 -0.037 0.000 1.371 68 I HN 0.400 nan 8.210 nan 0.000 0.569 69 G N 4.557 113.339 108.800 -0.029 0.000 2.241 69 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.244 69 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.244 69 G C 0.418 175.310 174.900 -0.012 0.000 0.998 69 G CA 0.295 45.385 45.100 -0.017 0.000 0.621 69 G HN 0.870 nan 8.290 nan 0.000 0.519 70 T N -1.029 113.513 114.554 -0.020 0.000 2.874 70 T HA 0.666 5.016 4.350 -0.000 0.000 0.281 70 T C 0.454 175.141 174.700 -0.021 0.000 0.994 70 T CA 0.617 62.709 62.100 -0.013 0.000 1.015 70 T CB 1.911 70.771 68.868 -0.013 0.000 1.028 70 T HN 1.125 nan 8.240 nan 0.000 0.523 71 S N 1.318 117.022 115.700 0.007 0.000 2.562 71 S HA 0.362 4.832 4.470 -0.000 0.000 0.275 71 S C -1.695 172.888 174.600 -0.029 0.000 1.281 71 S CA -1.652 56.571 58.200 0.037 0.000 1.045 71 S CB 0.470 63.744 63.200 0.124 0.000 0.962 71 S HN 0.603 nan 8.310 nan 0.000 0.503 72 P HA 0.061 nan 4.420 nan 0.000 0.226 72 P C 0.380 177.445 177.300 -0.392 0.000 1.153 72 P CA 0.845 63.763 63.100 -0.303 0.000 0.777 72 P CB 0.008 31.465 31.700 -0.404 0.000 0.794 73 F N -0.191 119.661 119.950 -0.164 0.000 2.512 73 F HA 0.148 4.675 4.527 -0.000 0.000 0.296 73 F C 1.811 177.527 175.800 -0.140 0.000 1.110 73 F CA 0.219 58.107 58.000 -0.187 0.000 1.446 73 F CB -0.813 38.106 39.000 -0.135 0.000 1.092 73 F HN -0.206 nan 8.300 nan 0.000 0.554 74 A N 0.841 123.710 122.820 0.081 0.000 2.958 74 A HA 0.203 4.523 4.320 -0.000 0.000 0.247 74 A C 1.629 179.273 177.584 0.099 0.000 1.679 74 A CA 0.089 52.172 52.037 0.077 0.000 1.345 74 A CB -1.274 17.768 19.000 0.071 0.000 1.013 74 A HN 0.453 nan 8.150 nan 0.000 0.641 75 L N -0.780 120.497 121.223 0.090 0.000 2.093 75 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 75 L C 2.389 179.476 176.870 0.362 0.000 1.085 75 L CA 0.987 55.971 54.840 0.240 0.000 0.755 75 L CB -0.261 41.915 42.059 0.195 0.000 0.904 75 L HN 0.528 nan 8.230 nan 0.000 0.435 76 E N 0.264 120.598 120.200 0.224 0.000 2.058 76 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 76 E C 2.248 178.951 176.600 0.172 0.000 0.997 76 E CA 1.469 57.981 56.400 0.187 0.000 0.801 76 E CB -0.112 29.651 29.700 0.104 0.000 0.746 76 E HN 0.481 nan 8.360 nan 0.000 0.450 77 A N 1.152 124.060 122.820 0.147 0.000 1.877 77 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 77 A C 2.055 179.728 177.584 0.148 0.000 1.186 77 A CA 1.285 53.392 52.037 0.117 0.000 0.620 77 A CB -0.827 18.233 19.000 0.098 0.000 0.822 77 A HN 0.288 nan 8.150 nan 0.000 0.443 78 F N 0.742 120.711 119.950 0.031 0.000 2.065 78 F HA -0.258 4.269 4.527 -0.000 0.000 0.298 78 F C 2.417 178.198 175.800 -0.031 0.000 1.112 78 F CA 2.280 60.264 58.000 -0.027 0.000 1.212 78 F CB -0.729 38.217 39.000 -0.090 0.000 0.975 78 F HN 0.400 nan 8.300 nan 0.000 0.476 79 H N 0.354 119.337 119.070 -0.146 0.000 2.352 79 H HA -0.090 4.466 4.556 -0.000 0.000 0.299 79 H C 2.413 177.669 175.328 -0.120 0.000 1.097 79 H CA 1.680 57.600 56.048 -0.213 0.000 1.311 79 H CB -0.080 29.691 29.762 0.016 0.000 1.377 79 H HN 0.206 nan 8.280 nan 0.000 0.504 80 R N 0.970 121.500 120.500 0.050 0.000 2.075 80 R HA -0.084 4.256 4.340 -0.000 0.000 0.232 80 R C 2.301 178.603 176.300 0.004 0.000 1.126 80 R CA 0.670 56.764 56.100 -0.011 0.000 0.963 80 R CB -0.400 29.877 30.300 -0.037 0.000 0.858 80 R HN 0.162 nan 8.270 nan 0.000 0.435 81 K N 1.166 121.564 120.400 -0.004 0.000 2.147 81 K HA -0.111 4.209 4.320 -0.000 0.000 0.205 81 K C 1.232 177.862 176.600 0.051 0.000 1.049 81 K CA 1.354 57.662 56.287 0.035 0.000 0.936 81 K CB 0.143 32.661 32.500 0.031 0.000 0.722 81 K HN 0.038 nan 8.250 nan 0.000 0.446 82 Q N 0.960 120.701 119.800 -0.099 0.000 2.201 82 Q HA 0.025 4.365 4.340 -0.000 0.000 0.217 82 Q C -0.088 175.900 176.000 -0.019 0.000 0.860 82 Q CA -0.129 55.598 55.803 -0.127 0.000 0.984 82 Q CB -0.059 28.429 28.738 -0.416 0.000 1.095 82 Q HN 0.572 nan 8.270 nan 0.000 0.477 86 P HA -0.082 nan 4.420 nan 0.000 0.221 86 P C 1.593 178.785 177.300 -0.180 0.000 1.150 86 P CA 1.237 64.097 63.100 -0.400 0.000 0.800 86 P CB -0.025 31.004 31.700 -1.118 0.000 0.787 87 F N -0.794 118.995 119.950 -0.268 0.000 2.171 87 F HA -0.146 4.381 4.527 -0.000 0.000 0.300 87 F C 1.566 177.099 175.800 -0.445 0.000 1.090 87 F CA 1.621 59.393 58.000 -0.379 0.000 1.293 87 F CB -0.495 38.176 39.000 -0.549 0.000 1.013 87 F HN -0.195 nan 8.300 nan 0.000 0.486 88 F N -2.241 117.580 119.950 -0.215 0.000 2.383 88 F HA 0.077 4.604 4.527 -0.000 0.000 0.287 88 F C 1.614 177.183 175.800 -0.385 0.000 1.069 88 F CA 0.636 58.396 58.000 -0.399 0.000 1.402 88 F CB -0.974 37.797 39.000 -0.382 0.000 1.116 88 F HN -0.193 nan 8.300 nan 0.000 0.549 89 Y N 0.271 120.594 120.300 0.039 0.000 2.466 89 Y HA 0.353 4.903 4.550 -0.000 0.000 0.272 89 Y C 1.812 177.676 175.900 -0.059 0.000 1.169 89 Y CA 0.077 58.166 58.100 -0.019 0.000 1.285 89 Y CB -0.601 37.848 38.460 -0.018 0.000 1.078 89 Y HN 0.139 nan 8.280 nan 0.000 0.523 90 G N 0.645 109.464 108.800 0.031 0.000 2.596 90 G HA2 -0.456 3.504 3.960 -0.000 0.000 0.295 90 G HA3 -0.456 3.504 3.960 -0.000 0.000 0.295 90 G C 1.016 176.014 174.900 0.164 0.000 1.240 90 G CA 0.679 45.804 45.100 0.042 0.000 0.985 90 G HN 0.446 nan 8.290 nan 0.000 0.555 91 Y N 0.762 121.086 120.300 0.039 0.000 2.151 91 Y HA -0.161 4.389 4.550 -0.000 0.000 0.284 91 Y C 3.073 178.969 175.900 -0.006 0.000 1.166 91 Y CA 1.857 59.989 58.100 0.054 0.000 1.163 91 Y CB -0.204 38.213 38.460 -0.071 0.000 0.974 91 Y HN 0.357 nan 8.280 nan 0.000 0.511 92 L N -0.538 120.690 121.223 0.008 0.000 2.079 92 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 92 L C 2.743 179.604 176.870 -0.015 0.000 1.081 92 L CA 1.284 56.047 54.840 -0.129 0.000 0.752 92 L CB -1.346 40.625 42.059 -0.147 0.000 0.896 92 L HN 0.368 nan 8.230 nan 0.000 0.433 93 G N -0.837 107.984 108.800 0.034 0.000 2.421 93 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.216 93 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.216 93 G C 1.319 176.218 174.900 -0.001 0.000 1.171 93 G CA 0.584 45.662 45.100 -0.036 0.000 0.775 93 G HN 0.218 nan 8.290 nan 0.000 0.543 94 Y N 1.389 121.760 120.300 0.118 0.000 2.165 94 Y HA -0.006 4.544 4.550 -0.000 0.000 0.286 94 Y C 3.182 179.193 175.900 0.185 0.000 1.155 94 Y CA 0.825 59.011 58.100 0.143 0.000 1.164 94 Y CB -0.643 37.884 38.460 0.112 0.000 0.978 94 Y HN 0.267 nan 8.280 nan 0.000 0.513 95 A N 0.011 123.043 122.820 0.354 0.000 1.908 95 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 95 A C 2.479 180.196 177.584 0.221 0.000 1.181 95 A CA 2.080 54.288 52.037 0.285 0.000 0.627 95 A CB -1.300 17.765 19.000 0.109 0.000 0.818 95 A HN 0.414 nan 8.150 nan 0.000 0.445 96 A N -0.108 122.786 122.820 0.124 0.000 1.877 96 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 96 A C 2.126 179.804 177.584 0.156 0.000 1.186 96 A CA 1.528 53.618 52.037 0.090 0.000 0.620 96 A CB -0.633 18.355 19.000 -0.019 0.000 0.822 96 A HN 0.494 nan 8.150 nan 0.000 0.443 97 I N -0.230 120.442 120.570 0.171 0.000 2.335 97 I HA -0.297 3.873 4.170 -0.000 0.000 0.251 97 I C 2.911 179.226 176.117 0.329 0.000 1.129 97 I CA 0.982 62.423 61.300 0.235 0.000 1.402 97 I CB -0.299 37.792 38.000 0.152 0.000 1.069 97 I HN 0.389 nan 8.210 nan 0.000 0.424 98 A N 0.717 123.732 122.820 0.325 0.000 1.898 98 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 98 A C 2.565 180.340 177.584 0.318 0.000 1.181 98 A CA 1.671 53.900 52.037 0.319 0.000 0.620 98 A CB -0.705 18.467 19.000 0.287 0.000 0.819 98 A HN 0.420 nan 8.150 nan 0.000 0.442 99 A N -0.486 122.520 122.820 0.310 0.000 1.902 99 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 99 A C 2.230 179.929 177.584 0.192 0.000 1.181 99 A CA 1.882 54.076 52.037 0.262 0.000 0.623 99 A CB -0.908 18.211 19.000 0.199 0.000 0.818 99 A HN 0.391 nan 8.150 nan 0.000 0.443 100 V N 0.300 120.309 119.914 0.159 0.000 2.307 100 V HA -0.261 3.859 4.120 -0.000 0.000 0.245 100 V C 2.275 178.390 176.094 0.035 0.000 1.045 100 V CA 2.416 64.735 62.300 0.031 0.000 1.024 100 V CB -0.910 30.900 31.823 -0.023 0.000 0.651 100 V HN 0.764 nan 8.190 nan 0.000 0.449 101 D N 0.157 120.683 120.400 0.211 0.000 2.106 101 D HA -0.195 4.445 4.640 -0.000 0.000 0.191 101 D C 1.997 178.518 176.300 0.368 0.000 0.997 101 D CA 1.964 56.163 54.000 0.332 0.000 0.834 101 D CB -0.091 41.013 40.800 0.507 0.000 0.956 101 D HN 0.185 nan 8.370 nan 0.000 0.448 102 V N 0.588 120.693 119.914 0.318 0.000 2.407 102 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 102 V C 2.504 178.745 176.094 0.245 0.000 1.055 102 V CA 1.716 64.197 62.300 0.300 0.000 1.049 102 V CB -0.898 31.071 31.823 0.243 0.000 0.662 102 V HN 0.394 nan 8.190 nan 0.000 0.455 103 A N -1.039 121.877 122.820 0.159 0.000 1.933 103 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 103 A C 2.353 179.940 177.584 0.006 0.000 1.175 103 A CA 2.195 54.280 52.037 0.081 0.000 0.628 103 A CB -1.042 17.960 19.000 0.003 0.000 0.814 103 A HN 0.595 nan 8.150 nan 0.000 0.444 104 C N -2.884 116.388 119.300 -0.046 0.000 2.446 104 C HA -0.129 4.331 4.460 -0.000 0.000 0.277 104 C C 2.381 177.250 174.990 -0.203 0.000 1.275 104 C CA 0.494 59.396 59.018 -0.193 0.000 1.727 104 C CB -1.749 25.817 27.740 -0.290 0.000 2.010 104 C HN 0.831 nan 8.230 nan 0.000 0.486 105 W N 1.201 122.455 121.300 -0.077 0.000 2.358 105 W HA -0.130 4.530 4.660 -0.000 0.000 0.303 105 W C 2.270 178.757 176.519 -0.053 0.000 1.208 105 W CA 1.809 59.118 57.345 -0.059 0.000 1.274 105 W CB -0.585 28.877 29.460 0.003 0.000 1.138 105 W HN 0.351 nan 8.180 nan 0.000 0.515 106 D N 0.014 120.541 120.400 0.212 0.000 2.097 106 D HA -0.095 4.545 4.640 -0.000 0.000 0.195 106 D C 1.484 177.820 176.300 0.060 0.000 0.989 106 D CA 1.456 55.546 54.000 0.150 0.000 0.827 106 D CB -0.546 40.359 40.800 0.176 0.000 0.966 106 D HN -0.049 nan 8.370 nan 0.000 0.456 110 K N 1.006 121.442 120.400 0.061 0.000 2.057 110 K HA 0.191 4.511 4.320 -0.000 0.000 0.206 110 K C 2.719 179.359 176.600 0.067 0.000 1.050 110 K CA 1.309 57.633 56.287 0.062 0.000 0.935 110 K CB -0.100 32.435 32.500 0.059 0.000 0.715 110 K HN 0.282 nan 8.250 nan 0.000 0.439 111 A N 1.152 124.012 122.820 0.067 0.000 2.015 111 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 111 A C 2.112 179.784 177.584 0.147 0.000 1.163 111 A CA 1.953 54.057 52.037 0.112 0.000 0.646 111 A CB -0.641 18.453 19.000 0.158 0.000 0.806 111 A HN 0.468 nan 8.150 nan 0.000 0.448 112 T N -5.337 109.312 114.554 0.158 0.000 3.022 112 T HA 0.410 4.760 4.350 -0.000 0.000 0.250 112 T C 1.387 176.145 174.700 0.097 0.000 1.060 112 T CA 1.071 63.257 62.100 0.144 0.000 1.013 112 T CB 0.201 69.181 68.868 0.185 0.000 0.982 112 T HN 1.627 nan 8.240 nan 0.000 0.508 113 G N 1.410 110.262 108.800 0.087 0.000 2.148 113 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.254 113 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.254 113 G C -0.201 174.740 174.900 0.068 0.000 0.981 113 G CA 0.079 45.220 45.100 0.068 0.000 0.670 113 G HN 0.659 nan 8.290 nan 0.000 0.528 114 Q N 0.247 120.098 119.800 0.085 0.000 2.351 114 Q HA 0.659 4.999 4.340 -0.000 0.000 0.273 114 Q C 0.543 176.598 176.000 0.092 0.000 1.077 114 Q CA -0.016 55.838 55.803 0.085 0.000 0.843 114 Q CB 1.714 30.512 28.738 0.100 0.000 1.367 114 Q HN 0.718 nan 8.270 nan 0.000 0.449 115 S N -0.884 114.863 115.700 0.078 0.000 2.585 115 S HA 0.192 4.662 4.470 -0.000 0.000 0.273 115 S C 1.240 175.901 174.600 0.102 0.000 1.339 115 S CA -0.661 57.584 58.200 0.075 0.000 1.028 115 S CB 0.657 63.887 63.200 0.049 0.000 0.906 115 S HN 0.381 nan 8.310 nan 0.000 0.528 116 V N 2.242 122.219 119.914 0.104 0.000 2.490 116 V HA -0.170 3.950 4.120 -0.000 0.000 0.250 116 V C 2.697 178.823 176.094 0.053 0.000 1.061 116 V CA 2.403 64.781 62.300 0.130 0.000 1.064 116 V CB -1.609 30.265 31.823 0.086 0.000 0.670 116 V HN 1.055 nan 8.190 nan 0.000 0.461 117 T N -0.354 114.214 114.554 0.024 0.000 2.684 117 T HA -0.224 4.126 4.350 -0.000 0.000 0.267 117 T C 1.658 176.374 174.700 0.027 0.000 1.036 117 T CA 1.832 63.933 62.100 0.002 0.000 1.148 117 T CB -0.381 68.489 68.868 0.003 0.000 0.863 117 T HN 0.447 nan 8.240 nan 0.000 0.436 118 D N 0.792 121.224 120.400 0.053 0.000 2.264 118 D HA 0.041 4.681 4.640 -0.000 0.000 0.208 118 D C 1.716 178.075 176.300 0.097 0.000 0.966 118 D CA 0.511 54.549 54.000 0.064 0.000 0.864 118 D CB -0.155 40.682 40.800 0.063 0.000 0.933 118 D HN 0.352 nan 8.370 nan 0.000 0.499 119 L N -0.088 121.223 121.223 0.146 0.000 2.591 119 L HA 0.118 4.458 4.340 -0.000 0.000 0.228 119 L C 1.389 178.398 176.870 0.232 0.000 1.133 119 L CA 0.169 55.151 54.840 0.238 0.000 0.880 119 L CB 0.230 42.521 42.059 0.388 0.000 1.033 119 L HN -0.054 nan 8.230 nan 0.000 0.450 120 L N -0.991 120.287 121.223 0.092 0.000 2.959 120 L HA 0.374 4.714 4.340 -0.000 0.000 0.259 120 L C 1.179 178.059 176.870 0.017 0.000 1.185 120 L CA 0.354 55.201 54.840 0.011 0.000 0.998 120 L CB 0.583 42.566 42.059 -0.128 0.000 1.337 120 L HN 0.314 nan 8.230 nan 0.000 0.555 121 G N -0.800 108.025 108.800 0.041 0.000 2.296 121 G HA2 0.009 3.969 3.960 -0.000 0.000 0.188 121 G HA3 0.009 3.969 3.960 -0.000 0.000 0.188 121 G C 0.563 175.477 174.900 0.023 0.000 1.000 121 G CA -0.244 44.873 45.100 0.029 0.000 0.672 121 G HN 0.737 nan 8.290 nan 0.000 0.483 122 G N -0.549 108.264 108.800 0.022 0.000 2.730 122 G HA2 0.447 4.407 3.960 -0.000 0.000 0.686 122 G HA3 0.447 4.407 3.960 -0.000 0.000 0.686 122 G C 0.243 175.148 174.900 0.008 0.000 1.343 122 G CA 0.794 45.905 45.100 0.018 0.000 0.826 122 G HN 2.112 nan 8.290 nan 0.000 0.582 123 A N -0.467 122.357 122.820 0.007 0.000 2.388 123 A HA 0.740 5.060 4.320 -0.000 0.000 0.257 123 A C 1.608 179.193 177.584 0.002 0.000 1.095 123 A CA 0.797 52.835 52.037 0.002 0.000 0.791 123 A CB 0.977 19.978 19.000 0.001 0.000 1.029 123 A HN 2.358 nan 8.150 nan 0.000 0.489 124 V N -0.252 119.662 119.914 -0.000 0.000 3.612 124 V HA 0.387 4.507 4.120 -0.000 0.000 0.268 124 V C 0.377 176.472 176.094 0.001 0.000 1.365 124 V CA 0.596 62.896 62.300 0.001 0.000 1.044 124 V CB -1.009 30.814 31.823 -0.000 0.000 0.820 124 V HN 1.019 nan 8.190 nan 0.000 0.444 125 R N 0.381 120.882 120.500 0.000 0.000 2.643 125 R HA 0.516 4.856 4.340 -0.000 0.000 0.269 125 R C -0.626 175.674 176.300 0.000 0.000 1.037 125 R CA 0.072 56.173 56.100 0.002 0.000 0.894 125 R CB 1.271 31.574 30.300 0.005 0.000 1.238 125 R HN 0.111 nan 8.270 nan 0.000 0.459 126 D N 0.040 120.440 120.400 -0.001 0.000 2.423 126 D HA 0.088 4.728 4.640 -0.000 0.000 0.208 126 D C -0.463 175.836 176.300 -0.002 0.000 1.068 126 D CA 0.298 54.295 54.000 -0.006 0.000 0.860 126 D CB 0.526 41.318 40.800 -0.013 0.000 0.992 126 D HN 0.439 nan 8.370 nan 0.000 0.504 127 E N 0.363 120.568 120.200 0.008 0.000 2.212 127 E HA 0.481 4.831 4.350 -0.000 0.000 0.268 127 E C -0.882 175.735 176.600 0.028 0.000 0.902 127 E CA -0.967 55.445 56.400 0.021 0.000 0.779 127 E CB 3.233 32.947 29.700 0.024 0.000 1.172 127 E HN -0.141 nan 8.360 nan 0.000 0.409 128 V N 4.593 124.532 119.914 0.041 0.000 2.325 128 V HA 0.258 4.378 4.120 -0.000 0.000 0.280 128 V C -2.220 173.916 176.094 0.069 0.000 1.016 128 V CA -1.791 60.538 62.300 0.048 0.000 0.818 128 V CB 1.573 33.422 31.823 0.044 0.000 1.019 128 V HN 0.446 nan 8.190 nan 0.000 0.434 129 P HA 0.323 nan 4.420 nan 0.000 0.271 129 P C -0.423 176.955 177.300 0.129 0.000 1.218 129 P CA 0.092 63.244 63.100 0.086 0.000 0.780 129 P CB 1.420 33.161 31.700 0.069 0.000 0.901 130 I N -1.269 119.414 120.570 0.188 0.000 3.133 130 I HA 0.649 4.819 4.170 -0.000 0.000 0.311 130 I C -0.487 175.836 176.117 0.343 0.000 1.072 130 I CA -0.928 60.535 61.300 0.270 0.000 1.015 130 I CB 2.071 40.288 38.000 0.362 0.000 1.233 130 I HN 0.074 nan 8.210 nan 0.000 0.473 131 T N 2.009 116.729 114.554 0.276 0.000 2.895 131 T HA 0.686 5.036 4.350 -0.000 0.000 0.283 131 T C -0.237 174.351 174.700 -0.188 0.000 1.014 131 T CA -0.509 61.654 62.100 0.106 0.000 1.037 131 T CB 1.602 70.517 68.868 0.078 0.000 1.006 131 T HN 0.801 nan 8.240 nan 0.000 0.468 132 A N 2.505 124.918 122.820 -0.679 0.000 2.274 132 A HA 0.676 4.996 4.320 -0.000 0.000 0.309 132 A C -0.525 176.805 177.584 -0.424 0.000 1.226 132 A CA -0.593 50.741 52.037 -1.172 0.000 0.853 132 A CB 0.176 18.088 19.000 -1.813 0.000 1.146 132 A HN 0.695 nan 8.150 nan 0.000 0.518 133 L N 4.608 125.741 121.223 -0.149 0.000 2.289 133 L HA 0.747 5.087 4.340 -0.000 0.000 0.285 133 L C -0.338 176.533 176.870 0.001 0.000 1.049 133 L CA -0.289 54.545 54.840 -0.010 0.000 0.804 133 L CB 0.856 42.973 42.059 0.097 0.000 1.195 133 L HN 0.624 nan 8.230 nan 0.000 0.428 134 I N 1.932 122.506 120.570 0.006 0.000 2.509 134 I HA 0.846 5.016 4.170 -0.000 0.000 0.293 134 I C -0.426 175.725 176.117 0.057 0.000 1.020 134 I CA -0.342 60.996 61.300 0.063 0.000 1.088 134 I CB 2.135 40.174 38.000 0.066 0.000 1.267 134 I HN 0.714 nan 8.210 nan 0.000 0.430 135 T N 1.163 115.751 114.554 0.057 0.000 2.883 135 T HA 0.484 4.834 4.350 -0.000 0.000 0.296 135 T C 0.684 175.393 174.700 0.014 0.000 1.117 135 T CA -0.944 61.178 62.100 0.036 0.000 1.006 135 T CB 2.203 71.092 68.868 0.035 0.000 1.191 135 T HN 0.739 nan 8.240 nan 0.000 0.508 136 R N 0.420 120.929 120.500 0.016 0.000 2.200 136 R HA 0.005 4.345 4.340 -0.000 0.000 0.234 136 R C 2.346 178.635 176.300 -0.018 0.000 1.127 136 R CA 1.121 57.224 56.100 0.004 0.000 0.989 136 R CB -0.707 29.604 30.300 0.019 0.000 0.869 136 R HN 0.786 nan 8.270 nan 0.000 0.459 137 A N 1.220 124.030 122.820 -0.016 0.000 2.216 137 A HA -0.127 4.193 4.320 -0.000 0.000 0.214 137 A C 1.065 178.608 177.584 -0.069 0.000 1.160 137 A CA 1.163 53.184 52.037 -0.027 0.000 0.725 137 A CB -0.069 18.925 19.000 -0.009 0.000 0.784 137 A HN 0.132 nan 8.150 nan 0.000 0.472 138 D N -0.411 119.918 120.400 -0.119 0.000 2.355 138 D HA 0.219 4.859 4.640 -0.000 0.000 0.218 138 D C 0.710 176.853 176.300 -0.262 0.000 1.004 138 D CA 1.097 54.917 54.000 -0.300 0.000 0.880 138 D CB 0.257 40.730 40.800 -0.545 0.000 0.911 138 D HN 0.382 nan 8.370 nan 0.000 0.528 139 A N 1.302 124.047 122.820 -0.125 0.000 3.355 139 A HA 0.286 4.606 4.320 -0.000 0.000 0.290 139 A C -1.520 176.040 177.584 -0.040 0.000 0.973 139 A CA -0.772 51.221 52.037 -0.072 0.000 0.933 139 A CB 0.738 19.713 19.000 -0.042 0.000 1.138 139 A HN -0.129 nan 8.150 nan 0.000 0.490 140 P HA -0.152 nan 4.420 nan 0.000 0.216 140 P C 1.367 178.660 177.300 -0.012 0.000 1.150 140 P CA 2.084 65.171 63.100 -0.022 0.000 0.837 140 P CB 0.116 31.803 31.700 -0.022 0.000 0.786 141 G N -0.580 108.212 108.800 -0.012 0.000 2.880 141 G HA2 0.275 4.235 3.960 -0.000 0.000 0.209 141 G HA3 0.275 4.235 3.960 -0.000 0.000 0.209 141 G C 0.701 175.599 174.900 -0.003 0.000 1.157 141 G CA 0.293 45.390 45.100 -0.005 0.000 0.779 141 G HN 0.519 nan 8.290 nan 0.000 0.539 142 A N 1.181 123.999 122.820 -0.003 0.000 2.440 142 A HA 0.533 4.853 4.320 -0.000 0.000 0.251 142 A C 1.006 178.592 177.584 0.003 0.000 1.089 142 A CA 0.333 52.370 52.037 0.001 0.000 0.779 142 A CB 0.013 19.014 19.000 0.001 0.000 1.022 142 A HN 0.472 nan 8.150 nan 0.000 0.492 143 T N 0.935 115.491 114.554 0.004 0.000 2.849 143 T HA 0.393 4.743 4.350 -0.000 0.000 0.284 143 T C -1.746 172.958 174.700 0.007 0.000 1.004 143 T CA -1.273 60.830 62.100 0.005 0.000 1.021 143 T CB 0.659 69.530 68.868 0.004 0.000 1.013 143 T HN 0.326 nan 8.240 nan 0.000 0.527 144 P HA -0.158 nan 4.420 nan 0.000 0.217 144 P C 1.679 178.984 177.300 0.008 0.000 1.158 144 P CA 1.977 65.082 63.100 0.008 0.000 0.887 144 P CB -0.343 31.361 31.700 0.007 0.000 0.792 145 A N -0.840 121.984 122.820 0.006 0.000 2.019 145 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 145 A C 1.765 179.353 177.584 0.007 0.000 1.164 145 A CA 1.864 53.904 52.037 0.005 0.000 0.644 145 A CB -1.008 17.994 19.000 0.004 0.000 0.805 145 A HN 0.130 nan 8.150 nan 0.000 0.449 146 D N -1.130 119.275 120.400 0.008 0.000 2.360 146 D HA 0.065 4.705 4.640 -0.000 0.000 0.210 146 D C 1.587 177.894 176.300 0.011 0.000 1.047 146 D CA -0.006 53.999 54.000 0.009 0.000 0.854 146 D CB 0.209 41.014 40.800 0.008 0.000 0.936 146 D HN 0.317 nan 8.370 nan 0.000 0.514 147 L N 1.786 123.016 121.223 0.012 0.000 1.989 147 L HA -0.065 4.275 4.340 -0.000 0.000 0.211 147 L C -0.852 176.030 176.870 0.019 0.000 1.071 147 L CA 2.185 57.033 54.840 0.015 0.000 0.749 147 L CB -1.385 40.684 42.059 0.016 0.000 0.890 147 L HN -0.072 nan 8.230 nan 0.000 0.431 148 P HA -0.253 nan 4.420 nan 0.000 0.215 148 P C 1.530 178.843 177.300 0.022 0.000 1.163 148 P CA 1.770 64.883 63.100 0.022 0.000 0.894 148 P CB -0.159 31.551 31.700 0.017 0.000 0.791 149 K N -0.165 120.246 120.400 0.019 0.000 2.026 149 K HA -0.092 4.228 4.320 -0.000 0.000 0.208 149 K C 1.088 177.704 176.600 0.027 0.000 1.048 149 K CA 0.987 57.286 56.287 0.019 0.000 0.929 149 K CB -0.641 31.868 32.500 0.015 0.000 0.713 149 K HN 0.032 nan 8.250 nan 0.000 0.439 153 E N -0.304 119.922 120.200 0.043 0.000 2.106 153 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 153 E C 1.699 178.332 176.600 0.054 0.000 0.984 153 E CA 1.399 57.823 56.400 0.040 0.000 0.806 153 E CB -0.210 29.519 29.700 0.048 0.000 0.750 153 E HN 0.774 nan 8.360 nan 0.000 0.458 154 H N 0.997 120.062 119.070 -0.008 0.000 2.321 154 H HA -0.043 4.513 4.556 -0.000 0.000 0.300 154 H C 1.932 177.233 175.328 -0.045 0.000 1.087 154 H CA 1.912 57.953 56.048 -0.012 0.000 1.319 154 H CB -0.232 29.526 29.762 -0.006 0.000 1.379 154 H HN 0.137 nan 8.280 nan 0.000 0.501 155 A N 0.082 122.834 122.820 -0.113 0.000 1.883 155 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 155 A C 2.747 180.221 177.584 -0.182 0.000 1.186 155 A CA 2.013 53.936 52.037 -0.190 0.000 0.624 155 A CB -1.114 17.835 19.000 -0.085 0.000 0.822 155 A HN 0.343 nan 8.150 nan 0.000 0.444 156 V N 0.035 119.887 119.914 -0.102 0.000 2.332 156 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 156 V C 2.662 178.700 176.094 -0.093 0.000 1.055 156 V CA 2.372 64.626 62.300 -0.076 0.000 1.038 156 V CB -0.854 30.948 31.823 -0.036 0.000 0.651 156 V HN 0.544 nan 8.190 nan 0.000 0.450 157 R N -0.479 119.955 120.500 -0.110 0.000 2.075 157 R HA -0.092 4.248 4.340 -0.000 0.000 0.232 157 R C 2.227 178.436 176.300 -0.152 0.000 1.126 157 R CA 1.330 57.377 56.100 -0.087 0.000 0.963 157 R CB -0.550 29.728 30.300 -0.037 0.000 0.858 157 R HN 0.420 nan 8.270 nan 0.000 0.435 158 V N 0.670 120.368 119.914 -0.361 0.000 2.407 158 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 158 V C 2.308 178.227 176.094 -0.292 0.000 1.055 158 V CA 1.509 63.449 62.300 -0.599 0.000 1.049 158 V CB -0.288 31.028 31.823 -0.846 0.000 0.662 158 V HN 0.120 nan 8.190 nan 0.000 0.455 159 V N 1.168 120.988 119.914 -0.157 0.000 2.427 159 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 159 V C 2.500 178.577 176.094 -0.029 0.000 1.051 159 V CA 2.145 64.433 62.300 -0.020 0.000 1.048 159 V CB -0.741 31.058 31.823 -0.040 0.000 0.666 159 V HN 0.834 nan 8.190 nan 0.000 0.456 160 E N 0.448 120.623 120.200 -0.041 0.000 2.112 160 E HA -0.187 4.163 4.350 -0.000 0.000 0.190 160 E C 1.859 178.457 176.600 -0.002 0.000 0.979 160 E CA 1.235 57.622 56.400 -0.021 0.000 0.814 160 E CB -0.309 29.383 29.700 -0.013 0.000 0.762 160 E HN 0.681 nan 8.360 nan 0.000 0.460 161 E N 0.763 120.986 120.200 0.038 0.000 2.158 161 E HA -0.024 4.326 4.350 -0.000 0.000 0.191 161 E C 2.067 178.754 176.600 0.146 0.000 0.982 161 E CA 0.884 57.362 56.400 0.131 0.000 0.823 161 E CB 0.054 29.926 29.700 0.288 0.000 0.766 161 E HN 0.453 nan 8.360 nan 0.000 0.468 162 G N -0.002 108.830 108.800 0.053 0.000 2.719 162 G HA2 0.171 4.131 3.960 -0.000 0.000 0.211 162 G HA3 0.171 4.131 3.960 -0.000 0.000 0.211 162 G C 1.127 175.686 174.900 -0.568 0.000 1.140 162 G CA 0.229 45.177 45.100 -0.252 0.000 0.790 162 G HN 0.366 nan 8.290 nan 0.000 0.529 163 G N -0.351 108.258 108.800 -0.319 0.000 2.147 163 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.244 163 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.244 163 G C 0.151 174.905 174.900 -0.243 0.000 1.005 163 G CA -0.140 44.819 45.100 -0.235 0.000 0.713 163 G HN 0.301 nan 8.290 nan 0.000 0.515 164 F N 0.628 120.514 119.950 -0.107 0.000 2.518 164 F HA 0.324 4.851 4.527 -0.000 0.000 0.359 164 F C 1.404 177.160 175.800 -0.073 0.000 1.118 164 F CA 0.077 58.016 58.000 -0.101 0.000 1.287 164 F CB 0.617 39.513 39.000 -0.173 0.000 1.132 164 F HN -0.034 nan 8.300 nan 0.000 0.587 165 D N 1.224 121.708 120.400 0.140 0.000 2.354 165 D HA 0.244 4.884 4.640 -0.000 0.000 0.209 165 D C 0.353 176.682 176.300 0.047 0.000 1.015 165 D CA 0.507 54.546 54.000 0.066 0.000 0.867 165 D CB 0.350 41.179 40.800 0.050 0.000 0.933 165 D HN 0.448 nan 8.370 nan 0.000 0.520 166 A N -0.172 122.686 122.820 0.064 0.000 2.572 166 A HA 0.654 4.974 4.320 -0.000 0.000 0.295 166 A C -1.253 176.292 177.584 -0.064 0.000 1.072 166 A CA -0.544 51.488 52.037 -0.009 0.000 0.691 166 A CB 1.847 20.838 19.000 -0.015 0.000 1.291 166 A HN -0.109 nan 8.150 nan 0.000 0.404 167 V N 1.165 121.017 119.914 -0.103 0.000 2.760 167 V HA 0.595 4.715 4.120 -0.000 0.000 0.309 167 V C -0.365 175.663 176.094 -0.110 0.000 1.077 167 V CA -0.645 61.567 62.300 -0.147 0.000 0.910 167 V CB 2.007 33.745 31.823 -0.142 0.000 1.008 167 V HN 0.934 nan 8.190 nan 0.000 0.424 168 K N 3.733 124.078 120.400 -0.091 0.000 2.426 168 K HA 0.684 5.004 4.320 -0.000 0.000 0.254 168 K C -1.517 175.071 176.600 -0.021 0.000 0.936 168 K CA -0.743 55.518 56.287 -0.043 0.000 0.801 168 K CB 1.937 34.442 32.500 0.008 0.000 1.139 168 K HN 0.554 nan 8.250 nan 0.000 0.424 169 L N 3.963 125.182 121.223 -0.007 0.000 2.292 169 L HA 0.363 4.703 4.340 -0.000 0.000 0.284 169 L C -0.493 176.388 176.870 0.018 0.000 1.065 169 L CA 0.052 54.900 54.840 0.013 0.000 0.806 169 L CB 1.010 43.084 42.059 0.025 0.000 1.175 169 L HN 0.611 nan 8.230 nan 0.000 0.431 170 K N 4.279 124.694 120.400 0.026 0.000 2.338 170 K HA 0.435 4.755 4.320 -0.000 0.000 0.290 170 K C 0.263 176.875 176.600 0.020 0.000 1.069 170 K CA -0.056 56.243 56.287 0.020 0.000 0.941 170 K CB 0.229 32.748 32.500 0.032 0.000 1.023 170 K HN 0.926 nan 8.250 nan 0.000 0.477 171 G N 2.250 111.038 108.800 -0.020 0.000 2.651 171 G HA2 0.295 4.255 3.960 -0.000 0.000 0.260 171 G HA3 0.295 4.255 3.960 -0.000 0.000 0.260 171 G C -0.208 174.719 174.900 0.045 0.000 1.216 171 G CA -0.147 44.958 45.100 0.009 0.000 0.913 171 G HN 0.752 nan 8.290 nan 0.000 0.535 172 T N -4.890 109.765 114.554 0.168 0.000 2.647 172 T HA 0.454 4.804 4.350 -0.000 0.000 0.295 172 T C 1.347 176.232 174.700 0.309 0.000 1.126 172 T CA 0.458 62.658 62.100 0.167 0.000 1.040 172 T CB 0.978 69.925 68.868 0.132 0.000 1.472 172 T HN 0.773 nan 8.240 nan 0.000 0.500 173 T N -2.035 112.650 114.554 0.219 0.000 3.118 173 T HA 0.087 4.437 4.350 -0.000 0.000 0.260 173 T C 0.534 175.333 174.700 0.165 0.000 1.139 173 T CA 0.932 63.170 62.100 0.230 0.000 1.085 173 T CB -0.603 68.344 68.868 0.132 0.000 0.934 173 T HN 0.664 nan 8.240 nan 0.000 0.518 174 D N 0.616 121.108 120.400 0.153 0.000 2.563 174 D HA 0.247 4.887 4.640 -0.000 0.000 0.222 174 D C 1.064 177.397 176.300 0.054 0.000 1.145 174 D CA -0.778 53.265 54.000 0.071 0.000 1.001 174 D CB -0.606 40.232 40.800 0.064 0.000 1.049 174 D HN 0.284 nan 8.370 nan 0.000 0.515 175 C N 2.206 121.435 119.300 -0.118 0.000 2.393 175 C HA -0.160 4.300 4.460 -0.000 0.000 0.276 175 C C 2.794 177.655 174.990 -0.215 0.000 1.215 175 C CA 0.926 59.702 59.018 -0.404 0.000 1.743 175 C CB -1.240 25.994 27.740 -0.843 0.000 2.044 175 C HN 0.720 nan 8.230 nan 0.000 0.464 176 A N 1.175 123.898 122.820 -0.162 0.000 1.892 176 A HA 0.012 4.332 4.320 -0.000 0.000 0.218 176 A C 2.446 180.009 177.584 -0.036 0.000 1.188 176 A CA 2.399 54.378 52.037 -0.096 0.000 0.631 176 A CB -1.432 17.524 19.000 -0.074 0.000 0.822 176 A HN 0.594 nan 8.150 nan 0.000 0.447 177 G N -0.270 108.526 108.800 -0.007 0.000 2.421 177 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.216 177 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.216 177 G C 1.134 176.067 174.900 0.056 0.000 1.171 177 G CA 1.257 46.373 45.100 0.026 0.000 0.775 177 G HN 0.477 nan 8.290 nan 0.000 0.543 178 D N 0.269 120.730 120.400 0.102 0.000 2.123 178 D HA -0.097 4.543 4.640 -0.000 0.000 0.196 178 D C 2.759 179.135 176.300 0.126 0.000 0.992 178 D CA 0.777 54.876 54.000 0.165 0.000 0.833 178 D CB -0.557 40.458 40.800 0.359 0.000 0.954 178 D HN 0.208 nan 8.370 nan 0.000 0.455 179 V N 1.446 121.407 119.914 0.080 0.000 2.295 179 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 179 V C 2.543 178.658 176.094 0.034 0.000 1.049 179 V CA 1.835 64.164 62.300 0.049 0.000 1.024 179 V CB -0.818 30.997 31.823 -0.013 0.000 0.648 179 V HN 0.197 nan 8.190 nan 0.000 0.447 180 A N -0.215 122.618 122.820 0.022 0.000 1.902 180 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 180 A C 2.187 179.787 177.584 0.026 0.000 1.181 180 A CA 1.924 53.971 52.037 0.017 0.000 0.623 180 A CB -0.539 18.468 19.000 0.011 0.000 0.818 180 A HN 0.510 nan 8.150 nan 0.000 0.443 181 I N -0.473 120.120 120.570 0.038 0.000 2.179 181 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 181 I C 2.406 178.545 176.117 0.036 0.000 1.088 181 I CA 1.238 62.561 61.300 0.039 0.000 1.357 181 I CB -0.359 37.671 38.000 0.051 0.000 1.051 181 I HN 0.298 nan 8.210 nan 0.000 0.409 182 L N 0.119 121.369 121.223 0.046 0.000 2.046 182 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 182 L C 2.768 179.652 176.870 0.024 0.000 1.077 182 L CA 1.439 56.302 54.840 0.038 0.000 0.747 182 L CB -0.574 41.520 42.059 0.058 0.000 0.896 182 L HN 0.158 nan 8.230 nan 0.000 0.432 183 R N -0.245 120.269 120.500 0.023 0.000 2.091 183 R HA -0.178 4.162 4.340 -0.000 0.000 0.238 183 R C 2.436 178.743 176.300 0.011 0.000 1.136 183 R CA 1.445 57.553 56.100 0.015 0.000 0.959 183 R CB -0.553 29.754 30.300 0.012 0.000 0.856 183 R HN 0.390 nan 8.270 nan 0.000 0.437 184 A N 0.609 123.436 122.820 0.013 0.000 1.858 184 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 184 A C 2.368 179.956 177.584 0.007 0.000 1.190 184 A CA 1.551 53.594 52.037 0.011 0.000 0.617 184 A CB -0.688 18.321 19.000 0.014 0.000 0.827 184 A HN 0.124 nan 8.150 nan 0.000 0.443 185 V N 0.387 120.306 119.914 0.008 0.000 2.332 185 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 185 V C 2.702 178.791 176.094 -0.008 0.000 1.055 185 V CA 2.471 64.770 62.300 -0.002 0.000 1.038 185 V CB -0.916 30.905 31.823 -0.004 0.000 0.651 185 V HN 0.668 nan 8.190 nan 0.000 0.450 186 R N 0.729 121.226 120.500 -0.004 0.000 2.092 186 R HA -0.169 4.171 4.340 -0.000 0.000 0.231 186 R C 2.173 178.470 176.300 -0.005 0.000 1.119 186 R CA 2.038 58.134 56.100 -0.006 0.000 0.970 186 R CB -0.645 29.654 30.300 -0.002 0.000 0.864 186 R HN 0.644 nan 8.270 nan 0.000 0.440 187 E N -0.709 119.490 120.200 -0.002 0.000 2.077 187 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 187 E C 1.633 178.231 176.600 -0.004 0.000 0.989 187 E CA 1.367 57.767 56.400 -0.001 0.000 0.800 187 E CB -0.178 29.523 29.700 0.001 0.000 0.746 187 E HN 0.469 nan 8.360 nan 0.000 0.452 188 A N 0.225 123.042 122.820 -0.005 0.000 1.968 188 A HA 0.032 4.352 4.320 -0.000 0.000 0.217 188 A C 1.155 178.731 177.584 -0.012 0.000 1.169 188 A CA 0.615 52.647 52.037 -0.007 0.000 0.638 188 A CB 0.117 19.113 19.000 -0.007 0.000 0.812 188 A HN 0.222 nan 8.150 nan 0.000 0.446 189 L N -0.373 120.841 121.223 -0.015 0.000 2.495 189 L HA 0.267 4.607 4.340 -0.000 0.000 0.248 189 L C -2.156 174.704 176.870 -0.016 0.000 1.229 189 L CA -1.437 53.391 54.840 -0.019 0.000 0.942 189 L CB 1.751 43.793 42.059 -0.028 0.000 1.242 189 L HN 0.054 nan 8.230 nan 0.000 0.484 190 P HA -0.117 nan 4.420 nan 0.000 0.219 190 P C 1.321 178.615 177.300 -0.011 0.000 1.146 190 P CA 0.925 64.019 63.100 -0.010 0.000 0.808 190 P CB 0.376 32.072 31.700 -0.007 0.000 0.779 191 G N -1.628 107.165 108.800 -0.012 0.000 3.192 191 G HA2 0.143 4.103 3.960 -0.000 0.000 0.239 191 G HA3 0.143 4.103 3.960 -0.000 0.000 0.239 191 G C -0.029 174.862 174.900 -0.015 0.000 1.084 191 G CA 0.068 45.161 45.100 -0.012 0.000 0.784 191 G HN 0.219 nan 8.290 nan 0.000 0.540 192 V N 1.203 121.105 119.914 -0.020 0.000 2.732 192 V HA 0.293 4.413 4.120 -0.000 0.000 0.297 192 V C -0.398 175.675 176.094 -0.036 0.000 1.060 192 V CA -1.031 61.254 62.300 -0.024 0.000 1.038 192 V CB 1.172 32.978 31.823 -0.030 0.000 1.003 192 V HN 0.170 nan 8.190 nan 0.000 0.481 193 N N 4.543 123.219 118.700 -0.041 0.000 2.452 193 N HA 0.235 4.975 4.740 -0.000 0.000 0.266 193 N C -0.734 174.718 175.510 -0.096 0.000 1.175 193 N CA -0.022 52.986 53.050 -0.069 0.000 0.945 193 N CB 1.083 39.528 38.487 -0.070 0.000 1.063 193 N HN 0.513 nan 8.380 nan 0.000 0.472 194 L N 3.561 124.719 121.223 -0.109 0.000 2.346 194 L HA 0.518 4.858 4.340 -0.000 0.000 0.276 194 L C -0.398 176.377 176.870 -0.159 0.000 1.006 194 L CA -0.447 54.328 54.840 -0.109 0.000 0.817 194 L CB 1.182 43.203 42.059 -0.063 0.000 1.272 194 L HN 0.479 nan 8.230 nan 0.000 0.421 195 R N 3.092 123.497 120.500 -0.158 0.000 2.836 195 R HA 0.915 5.255 4.340 -0.000 0.000 0.269 195 R C -1.626 174.643 176.300 -0.053 0.000 1.010 195 R CA -1.059 54.937 56.100 -0.174 0.000 0.930 195 R CB 2.233 32.345 30.300 -0.314 0.000 1.218 195 R HN 0.377 nan 8.270 nan 0.000 0.473 196 V N -0.168 119.742 119.914 -0.007 0.000 2.841 196 V HA 0.425 4.545 4.120 -0.000 0.000 0.310 196 V C -1.244 174.833 176.094 -0.028 0.000 1.090 196 V CA -0.781 61.517 62.300 -0.004 0.000 0.930 196 V CB 2.135 33.967 31.823 0.014 0.000 1.014 196 V HN 0.760 nan 8.190 nan 0.000 0.425 197 D N 3.614 123.972 120.400 -0.069 0.000 2.346 197 D HA 0.447 5.087 4.640 -0.000 0.000 0.255 197 D C -2.366 173.813 176.300 -0.200 0.000 1.276 197 D CA -1.736 52.206 54.000 -0.097 0.000 0.941 197 D CB 2.543 43.351 40.800 0.013 0.000 1.199 197 D HN 0.192 nan 8.370 nan 0.000 0.537 198 P HA 0.074 nan 4.420 nan 0.000 0.237 198 P C -0.356 176.761 177.300 -0.304 0.000 1.178 198 P CA 0.112 62.881 63.100 -0.551 0.000 0.766 198 P CB 0.127 30.991 31.700 -1.394 0.000 0.876 199 N N -0.884 117.692 118.700 -0.206 0.000 2.740 199 N HA -0.243 4.497 4.740 -0.000 0.000 0.248 199 N C 0.406 175.853 175.510 -0.105 0.000 1.062 199 N CA 1.044 54.027 53.050 -0.111 0.000 0.704 199 N CB -1.507 36.951 38.487 -0.049 0.000 0.968 199 N HN 0.276 nan 8.380 nan 0.000 0.547 200 A N -2.320 120.413 122.820 -0.145 0.000 2.861 200 A HA -0.260 4.060 4.320 -0.000 0.000 0.261 200 A C 1.639 179.199 177.584 -0.041 0.000 1.351 200 A CA 2.118 54.103 52.037 -0.087 0.000 0.904 200 A CB -1.881 17.090 19.000 -0.047 0.000 1.076 200 A HN 1.255 nan 8.150 nan 0.000 0.729 201 A N -1.688 121.086 122.820 -0.077 0.000 2.206 201 A HA 0.347 4.667 4.320 -0.000 0.000 0.211 201 A C 0.517 178.241 177.584 0.233 0.000 1.158 201 A CA 0.704 52.769 52.037 0.047 0.000 0.761 201 A CB -0.186 18.842 19.000 0.046 0.000 0.801 201 A HN 0.901 nan 8.150 nan 0.000 0.473 202 W N 0.808 122.117 121.300 0.014 0.000 2.438 202 W HA 0.514 5.174 4.660 -0.000 0.000 0.324 202 W C 0.767 177.290 176.519 0.007 0.000 1.119 202 W CA -1.278 56.073 57.345 0.011 0.000 1.221 202 W CB 0.508 29.976 29.460 0.012 0.000 1.253 202 W HN 0.245 nan 8.180 nan 0.000 0.555 203 S N 0.339 116.171 115.700 0.219 0.000 2.596 203 S HA 0.166 4.636 4.470 -0.000 0.000 0.260 203 S C 0.781 175.455 174.600 0.123 0.000 1.336 203 S CA -0.579 57.694 58.200 0.121 0.000 0.993 203 S CB 0.905 64.143 63.200 0.064 0.000 0.923 203 S HN 0.262 nan 8.310 nan 0.000 0.567 204 V N 1.927 121.889 119.914 0.080 0.000 2.307 204 V HA -0.042 4.078 4.120 -0.000 0.000 0.245 204 V C -0.695 175.431 176.094 0.053 0.000 1.045 204 V CA 1.646 63.989 62.300 0.071 0.000 1.024 204 V CB -1.953 29.896 31.823 0.044 0.000 0.651 204 V HN 0.719 nan 8.190 nan 0.000 0.449 205 P HA -0.105 nan 4.420 nan 0.000 0.217 205 P C 1.184 178.473 177.300 -0.018 0.000 1.150 205 P CA 1.361 64.463 63.100 0.005 0.000 0.832 205 P CB -0.027 31.672 31.700 -0.003 0.000 0.787 206 D N -1.378 119.004 120.400 -0.030 0.000 2.224 206 D HA -0.041 4.599 4.640 -0.000 0.000 0.205 206 D C 1.919 178.133 176.300 -0.144 0.000 0.965 206 D CA 0.997 54.922 54.000 -0.125 0.000 0.852 206 D CB -0.286 40.408 40.800 -0.177 0.000 0.947 206 D HN 0.093 nan 8.370 nan 0.000 0.494 207 S N -0.052 115.679 115.700 0.051 0.000 2.383 207 S HA -0.069 4.401 4.470 -0.000 0.000 0.227 207 S C 2.286 176.950 174.600 0.105 0.000 1.026 207 S CA 0.324 58.653 58.200 0.215 0.000 0.981 207 S CB 0.102 63.480 63.200 0.298 0.000 0.818 207 S HN 0.083 nan 8.310 nan 0.000 0.472 208 V N 1.956 121.899 119.914 0.047 0.000 2.323 208 V HA -0.123 3.997 4.120 -0.000 0.000 0.244 208 V C 2.424 178.515 176.094 -0.005 0.000 1.041 208 V CA 1.524 63.841 62.300 0.028 0.000 1.025 208 V CB -0.551 31.282 31.823 0.017 0.000 0.656 208 V HN 0.361 nan 8.190 nan 0.000 0.451 209 R N 0.331 120.805 120.500 -0.043 0.000 2.070 209 R HA -0.132 4.208 4.340 -0.000 0.000 0.233 209 R C 2.476 178.722 176.300 -0.089 0.000 1.137 209 R CA 1.615 57.674 56.100 -0.068 0.000 0.945 209 R CB -0.711 29.532 30.300 -0.094 0.000 0.845 209 R HN 0.518 nan 8.270 nan 0.000 0.430 210 A N 0.824 123.546 122.820 -0.163 0.000 1.902 210 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 210 A C 2.426 179.993 177.584 -0.030 0.000 1.181 210 A CA 1.791 53.708 52.037 -0.199 0.000 0.623 210 A CB -1.245 17.412 19.000 -0.572 0.000 0.818 210 A HN 0.489 nan 8.150 nan 0.000 0.443 211 G N 0.052 108.881 108.800 0.048 0.000 2.440 211 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.218 211 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.218 211 G C 1.531 176.462 174.900 0.051 0.000 1.154 211 G CA 1.157 46.316 45.100 0.098 0.000 0.767 211 G HN 0.479 nan 8.290 nan 0.000 0.552 212 I N 1.352 121.936 120.570 0.023 0.000 2.208 212 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 212 I C 3.232 179.354 176.117 0.008 0.000 1.097 212 I CA 1.051 62.358 61.300 0.013 0.000 1.363 212 I CB -0.154 37.847 38.000 0.001 0.000 1.051 212 I HN 0.260 nan 8.210 nan 0.000 0.413 213 A N 0.326 123.145 122.820 -0.003 0.000 2.015 213 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 213 A C 2.168 179.759 177.584 0.012 0.000 1.163 213 A CA 1.094 53.128 52.037 -0.005 0.000 0.646 213 A CB -0.540 18.445 19.000 -0.026 0.000 0.806 213 A HN 0.426 nan 8.150 nan 0.000 0.448 214 L N -0.748 120.494 121.223 0.031 0.000 2.558 214 L HA -0.012 4.328 4.340 -0.000 0.000 0.225 214 L C 2.042 178.936 176.870 0.040 0.000 1.128 214 L CA 0.291 55.159 54.840 0.047 0.000 0.868 214 L CB -0.304 41.807 42.059 0.088 0.000 1.006 214 L HN 0.444 nan 8.230 nan 0.000 0.454 215 E N 0.878 121.098 120.200 0.033 0.000 2.160 215 E HA -0.263 4.087 4.350 -0.000 0.000 0.195 215 E C 1.683 178.295 176.600 0.020 0.000 0.991 215 E CA 1.523 57.940 56.400 0.028 0.000 0.810 215 E CB -0.053 29.661 29.700 0.023 0.000 0.742 215 E HN 0.632 nan 8.360 nan 0.000 0.466 216 E N 0.950 121.160 120.200 0.016 0.000 2.478 216 E HA -0.127 4.223 4.350 -0.000 0.000 0.198 216 E C 1.661 178.267 176.600 0.010 0.000 1.046 216 E CA 0.520 56.926 56.400 0.011 0.000 0.870 216 E CB -0.124 29.581 29.700 0.008 0.000 0.818 216 E HN 0.324 nan 8.360 nan 0.000 0.527 217 L N 0.874 122.105 121.223 0.013 0.000 2.592 217 L HA 0.097 4.437 4.340 -0.000 0.000 0.227 217 L C 0.175 177.047 176.870 0.005 0.000 1.127 217 L CA -0.066 54.779 54.840 0.009 0.000 0.884 217 L CB -0.422 41.645 42.059 0.014 0.000 1.065 217 L HN 0.066 nan 8.230 nan 0.000 0.457 218 D N 1.768 122.173 120.400 0.008 0.000 2.802 218 D HA -0.203 4.437 4.640 -0.000 0.000 0.229 218 D C -0.085 176.212 176.300 -0.005 0.000 1.203 218 D CA 0.452 54.455 54.000 0.005 0.000 0.712 218 D CB -0.739 40.062 40.800 0.002 0.000 0.973 218 D HN 0.159 nan 8.370 nan 0.000 0.407 219 L N 0.802 122.023 121.223 -0.003 0.000 2.452 219 L HA 0.146 4.486 4.340 -0.000 0.000 0.267 219 L C 2.066 178.907 176.870 -0.047 0.000 1.188 219 L CA -0.194 54.627 54.840 -0.031 0.000 0.821 219 L CB 0.543 42.595 42.059 -0.011 0.000 1.102 219 L HN 0.253 nan 8.230 nan 0.000 0.470 220 E N 1.449 121.567 120.200 -0.137 0.000 2.110 220 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 220 E C -0.908 175.663 176.600 -0.049 0.000 0.988 220 E CA 1.281 57.585 56.400 -0.160 0.000 0.804 220 E CB 0.317 29.806 29.700 -0.352 0.000 0.745 220 E HN 0.543 nan 8.360 nan 0.000 0.458 221 Y N -3.041 117.254 120.300 -0.008 0.000 2.765 221 Y HA 0.370 4.920 4.550 -0.000 0.000 0.350 221 Y C -1.761 174.130 175.900 -0.015 0.000 1.196 221 Y CA -1.660 56.429 58.100 -0.018 0.000 1.119 221 Y CB 0.304 38.737 38.460 -0.045 0.000 1.368 221 Y HN -0.163 nan 8.280 nan 0.000 0.463 222 L N 2.527 123.910 121.223 0.266 0.000 2.265 222 L HA 0.568 4.907 4.340 -0.000 0.000 0.289 222 L C -0.338 176.609 176.870 0.128 0.000 1.033 222 L CA -0.358 54.574 54.840 0.154 0.000 0.814 222 L CB 1.232 43.355 42.059 0.106 0.000 1.203 222 L HN 0.797 nan 8.230 nan 0.000 0.423 223 E N 4.208 124.476 120.200 0.114 0.000 2.146 223 E HA 0.139 4.489 4.350 -0.000 0.000 0.282 223 E C -0.725 175.829 176.600 -0.077 0.000 0.989 223 E CA -0.492 55.923 56.400 0.025 0.000 0.799 223 E CB 0.560 30.344 29.700 0.140 0.000 1.088 223 E HN 0.658 nan 8.360 nan 0.000 0.397 224 D N 5.502 125.847 120.400 -0.092 0.000 2.894 224 D HA -0.165 4.475 4.640 -0.000 0.000 0.216 224 D C -1.739 174.452 176.300 -0.181 0.000 1.245 224 D CA 0.226 54.158 54.000 -0.113 0.000 0.728 224 D CB -0.237 40.501 40.800 -0.102 0.000 0.924 224 D HN 0.501 nan 8.370 nan 0.000 0.395 225 P HA -0.096 nan 4.420 nan 0.000 0.220 225 P C 0.965 178.204 177.300 -0.102 0.000 1.152 225 P CA 0.909 63.836 63.100 -0.289 0.000 0.812 225 P CB 0.217 31.898 31.700 -0.032 0.000 0.792 226 C N -2.478 116.813 119.300 -0.014 0.000 3.161 226 C HA 0.719 5.179 4.460 -0.000 0.000 0.330 226 C C 0.188 175.174 174.990 -0.006 0.000 1.396 226 C CA -1.136 57.900 59.018 0.030 0.000 1.536 226 C CB 1.389 29.175 27.740 0.076 0.000 1.978 226 C HN -0.067 nan 8.230 nan 0.000 0.454 227 V N 2.125 122.042 119.914 0.005 0.000 2.732 227 V HA 0.686 4.806 4.120 -0.000 0.000 0.297 227 V C 1.154 177.238 176.094 -0.016 0.000 1.060 227 V CA 1.653 63.946 62.300 -0.010 0.000 1.038 227 V CB 0.337 32.159 31.823 -0.002 0.000 1.003 227 V HN 2.059 nan 8.190 nan 0.000 0.481 228 G N 3.273 112.055 108.800 -0.031 0.000 2.856 228 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.674 228 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.674 228 G C 0.381 175.257 174.900 -0.040 0.000 1.519 228 G CA 0.060 45.139 45.100 -0.036 0.000 0.940 228 G HN 0.695 nan 8.290 nan 0.000 0.564 229 I N 0.152 120.694 120.570 -0.047 0.000 2.226 229 I HA -0.166 4.004 4.170 -0.000 0.000 0.245 229 I C 2.637 178.730 176.117 -0.040 0.000 1.100 229 I CA 2.171 63.439 61.300 -0.054 0.000 1.374 229 I CB -0.222 37.741 38.000 -0.061 0.000 1.057 229 I HN 0.806 nan 8.210 nan 0.000 0.413 230 E N 1.501 121.684 120.200 -0.029 0.000 2.051 230 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 230 E C 1.425 178.018 176.600 -0.012 0.000 0.991 230 E CA 1.183 57.572 56.400 -0.019 0.000 0.799 230 E CB -0.563 29.129 29.700 -0.013 0.000 0.748 230 E HN 0.369 nan 8.360 nan 0.000 0.449 234 Q N 0.488 120.288 119.800 -0.001 0.000 2.119 234 Q HA -0.052 4.288 4.340 -0.000 0.000 0.201 234 Q C 2.167 178.176 176.000 0.015 0.000 0.972 234 Q CA 1.913 57.720 55.803 0.007 0.000 0.847 234 Q CB -0.373 28.371 28.738 0.011 0.000 0.903 234 Q HN 0.518 nan 8.270 nan 0.000 0.433 235 V N 1.464 121.392 119.914 0.022 0.000 2.295 235 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 235 V C 2.454 178.564 176.094 0.027 0.000 1.049 235 V CA 1.991 64.313 62.300 0.036 0.000 1.024 235 V CB -0.524 31.330 31.823 0.053 0.000 0.648 235 V HN 0.345 nan 8.190 nan 0.000 0.447 236 K N 0.456 120.864 120.400 0.013 0.000 2.147 236 K HA -0.154 4.166 4.320 -0.000 0.000 0.205 236 K C 2.045 178.650 176.600 0.009 0.000 1.049 236 K CA 1.473 57.765 56.287 0.008 0.000 0.936 236 K CB -0.295 32.200 32.500 -0.007 0.000 0.722 236 K HN 0.439 nan 8.250 nan 0.000 0.446 237 A N 0.757 123.581 122.820 0.007 0.000 2.015 237 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 237 A C 1.793 179.383 177.584 0.011 0.000 1.163 237 A CA 1.161 53.202 52.037 0.007 0.000 0.646 237 A CB -0.069 18.933 19.000 0.005 0.000 0.806 237 A HN 0.148 nan 8.150 nan 0.000 0.448 238 K N -0.941 119.467 120.400 0.015 0.000 2.329 238 K HA 0.219 4.539 4.320 -0.000 0.000 0.198 238 K C -0.000 176.612 176.600 0.020 0.000 1.085 238 K CA 0.322 56.618 56.287 0.016 0.000 0.961 238 K CB 0.249 32.759 32.500 0.016 0.000 0.971 238 K HN 0.234 nan 8.250 nan 0.000 0.502 239 V N 3.680 123.611 119.914 0.028 0.000 2.461 239 V HA 0.191 4.311 4.120 -0.000 0.000 0.275 239 V C 0.386 176.500 176.094 0.033 0.000 1.047 239 V CA -0.313 62.008 62.300 0.035 0.000 0.955 239 V CB 0.940 32.795 31.823 0.053 0.000 0.988 239 V HN 0.145 nan 8.190 nan 0.000 0.471 240 R N 5.845 126.363 120.500 0.030 0.000 4.071 240 R HA 0.570 4.910 4.340 -0.000 0.000 0.220 240 R C -0.808 175.513 176.300 0.035 0.000 1.614 240 R CA 0.066 56.183 56.100 0.028 0.000 1.505 240 R CB -0.141 30.172 30.300 0.022 0.000 1.384 240 R HN 0.598 nan 8.270 nan 0.000 0.758 241 I N 0.871 121.467 120.570 0.043 0.000 2.692 241 I HA 0.300 4.470 4.170 -0.000 0.000 0.293 241 I C -2.442 173.711 176.117 0.060 0.000 1.200 241 I CA -2.827 58.506 61.300 0.055 0.000 1.036 241 I CB 2.926 40.967 38.000 0.069 0.000 1.258 241 I HN 0.051 nan 8.210 nan 0.000 0.421 242 P HA 0.090 nan 4.420 nan 0.000 0.265 242 P C -0.990 176.350 177.300 0.067 0.000 1.193 242 P CA -0.155 62.987 63.100 0.070 0.000 0.765 242 P CB 0.472 32.237 31.700 0.109 0.000 0.823 243 L N 5.251 126.475 121.223 0.002 0.000 2.296 243 L HA 0.463 4.803 4.340 -0.000 0.000 0.286 243 L C -0.659 176.129 176.870 -0.138 0.000 1.023 243 L CA -0.511 54.309 54.840 -0.033 0.000 0.812 243 L CB 0.799 42.841 42.059 -0.028 0.000 1.223 243 L HN 0.455 nan 8.230 nan 0.000 0.421 244 C N 3.537 122.705 119.300 -0.220 0.000 2.529 244 C HA 0.906 5.366 4.460 -0.000 0.000 0.329 244 C C 0.011 174.834 174.990 -0.279 0.000 1.194 244 C CA -0.081 58.681 59.018 -0.426 0.000 1.779 244 C CB 1.538 28.665 27.740 -1.022 0.000 2.322 244 C HN 0.953 nan 8.230 nan 0.000 0.500 245 T N 2.787 117.184 114.554 -0.262 0.000 2.894 245 T HA 0.594 4.944 4.350 -0.000 0.000 0.309 245 T C -1.209 173.450 174.700 -0.070 0.000 1.208 245 T CA -0.354 61.662 62.100 -0.140 0.000 1.016 245 T CB 1.508 70.309 68.868 -0.111 0.000 1.192 245 T HN 1.009 nan 8.240 nan 0.000 0.491 249 V N 3.027 122.884 119.914 -0.095 0.000 2.443 249 V HA 0.527 4.647 4.120 -0.000 0.000 0.272 249 V C 0.503 176.543 176.094 -0.091 0.000 1.002 249 V CA 0.502 62.763 62.300 -0.065 0.000 0.840 249 V CB 1.330 33.162 31.823 0.015 0.000 1.042 249 V HN 0.693 nan 8.190 nan 0.000 0.446 250 V N 2.450 122.137 119.914 -0.378 0.000 3.253 250 V HA 0.582 4.702 4.120 -0.000 0.000 0.320 250 V C 0.226 175.318 176.094 -1.669 0.000 1.442 250 V CA -0.018 61.810 62.300 -0.787 0.000 1.097 250 V CB -0.118 31.338 31.823 -0.610 0.000 1.008 250 V HN 0.841 nan 8.190 nan 0.000 0.463 251 R N -2.689 116.913 120.500 -1.496 0.000 2.690 251 R HA 0.466 4.806 4.340 -0.000 0.000 0.269 251 R C -0.495 175.419 176.300 -0.644 0.000 1.037 251 R CA -0.752 54.502 56.100 -1.410 0.000 0.877 251 R CB 0.227 30.127 30.300 -0.668 0.000 1.255 251 R HN -0.128 nan 8.270 nan 0.000 0.467 252 F N 1.149 121.046 119.950 -0.089 0.000 2.250 252 F HA -0.106 4.421 4.527 -0.000 0.000 0.301 252 F C 1.715 177.570 175.800 0.091 0.000 1.077 252 F CA 1.688 59.758 58.000 0.118 0.000 1.348 252 F CB -0.175 38.873 39.000 0.079 0.000 1.040 252 F HN 0.696 nan 8.300 nan 0.000 0.509 253 E N -0.106 120.188 120.200 0.156 0.000 2.204 253 E HA -0.166 4.184 4.350 -0.000 0.000 0.195 253 E C 1.579 178.225 176.600 0.077 0.000 0.990 253 E CA 1.302 57.771 56.400 0.114 0.000 0.821 253 E CB -0.268 29.473 29.700 0.068 0.000 0.750 253 E HN 0.339 nan 8.360 nan 0.000 0.477 254 D N -0.625 119.792 120.400 0.030 0.000 2.289 254 D HA -0.061 4.579 4.640 -0.000 0.000 0.207 254 D C 1.388 177.712 176.300 0.040 0.000 0.966 254 D CA 0.226 54.225 54.000 -0.001 0.000 0.868 254 D CB -0.143 40.612 40.800 -0.074 0.000 0.943 254 D HN 0.123 nan 8.370 nan 0.000 0.514 255 F N 2.378 122.323 119.950 -0.009 0.000 2.046 255 F HA -0.214 4.313 4.527 -0.000 0.000 0.297 255 F C 2.353 178.107 175.800 -0.077 0.000 1.123 255 F CA 1.756 59.744 58.000 -0.019 0.000 1.199 255 F CB -0.246 38.797 39.000 0.072 0.000 0.972 255 F HN -0.044 nan 8.300 nan 0.000 0.474 256 A N 0.277 123.195 122.820 0.163 0.000 1.865 256 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 256 A C -0.049 177.485 177.584 -0.083 0.000 1.191 256 A CA 2.126 54.184 52.037 0.035 0.000 0.623 256 A CB -2.211 16.861 19.000 0.120 0.000 0.826 256 A HN 0.363 nan 8.150 nan 0.000 0.444 257 P HA -0.025 nan 4.420 nan 0.000 0.215 257 P C 1.020 178.246 177.300 -0.123 0.000 1.157 257 P CA 1.514 64.576 63.100 -0.063 0.000 0.868 257 P CB -0.213 31.465 31.700 -0.036 0.000 0.788 261 L N 1.555 122.742 121.223 -0.061 0.000 2.592 261 L HA 0.230 4.570 4.340 -0.000 0.000 0.227 261 L C -0.527 176.312 176.870 -0.051 0.000 1.127 261 L CA 0.232 55.043 54.840 -0.048 0.000 0.884 261 L CB -0.393 41.635 42.059 -0.051 0.000 1.065 261 L HN 0.234 nan 8.230 nan 0.000 0.457 262 N N 0.322 118.983 118.700 -0.064 0.000 2.688 262 N HA -0.248 4.492 4.740 -0.000 0.000 0.258 262 N C 0.900 176.373 175.510 -0.062 0.000 1.016 262 N CA 0.422 53.438 53.050 -0.057 0.000 0.747 262 N CB -0.380 38.092 38.487 -0.024 0.000 0.895 262 N HN 0.469 nan 8.380 nan 0.000 0.543 263 A N -0.542 122.223 122.820 -0.092 0.000 2.030 263 A HA 0.335 4.655 4.320 -0.000 0.000 0.215 263 A C 0.928 178.461 177.584 -0.085 0.000 1.164 263 A CA 1.374 53.361 52.037 -0.083 0.000 0.697 263 A CB 0.487 19.430 19.000 -0.095 0.000 0.827 263 A HN 0.543 nan 8.150 nan 0.000 0.457 264 V N -4.805 115.045 119.914 -0.108 0.000 3.130 264 V HA 0.597 4.717 4.120 -0.000 0.000 0.310 264 V C -0.663 175.376 176.094 -0.090 0.000 1.158 264 V CA -0.582 61.655 62.300 -0.105 0.000 1.029 264 V CB 1.848 33.592 31.823 -0.133 0.000 1.057 264 V HN 0.111 nan 8.190 nan 0.000 0.436 265 D N 0.309 120.658 120.400 -0.086 0.000 2.469 265 D HA 0.283 4.923 4.640 -0.000 0.000 0.240 265 D C 0.081 176.332 176.300 -0.082 0.000 1.087 265 D CA 0.872 54.837 54.000 -0.059 0.000 0.876 265 D CB 1.841 42.621 40.800 -0.034 0.000 1.160 265 D HN 0.438 nan 8.370 nan 0.000 0.497 266 V N 1.841 121.660 119.914 -0.159 0.000 2.760 266 V HA 0.444 4.564 4.120 -0.000 0.000 0.309 266 V C -0.437 175.494 176.094 -0.271 0.000 1.077 266 V CA -0.759 61.402 62.300 -0.232 0.000 0.910 266 V CB 3.006 34.585 31.823 -0.407 0.000 1.008 266 V HN -0.086 nan 8.190 nan 0.000 0.424 267 I N 2.425 122.867 120.570 -0.214 0.000 2.509 267 I HA 0.466 4.636 4.170 -0.000 0.000 0.293 267 I C -0.554 175.457 176.117 -0.177 0.000 1.020 267 I CA -0.592 60.608 61.300 -0.167 0.000 1.088 267 I CB 2.068 40.035 38.000 -0.055 0.000 1.267 267 I HN 0.648 nan 8.210 nan 0.000 0.430 268 H N 3.070 122.068 119.070 -0.120 0.000 2.562 268 H HA 0.405 4.961 4.556 -0.000 0.000 0.314 268 H C 0.427 175.696 175.328 -0.097 0.000 1.079 268 H CA -0.336 55.659 56.048 -0.088 0.000 1.349 268 H CB 1.444 31.180 29.762 -0.044 0.000 1.432 268 H HN 0.778 nan 8.280 nan 0.000 0.479 269 G N 1.670 110.455 108.800 -0.025 0.000 2.522 269 G HA2 0.331 4.291 3.960 -0.000 0.000 0.304 269 G HA3 0.331 4.291 3.960 -0.000 0.000 0.304 269 G C -0.907 173.963 174.900 -0.050 0.000 1.210 269 G CA -0.242 44.699 45.100 -0.265 0.000 0.960 269 G HN 0.698 nan 8.290 nan 0.000 0.497 270 D N -0.694 119.709 120.400 0.005 0.000 2.087 270 D HA -0.028 4.612 4.640 -0.000 0.000 0.161 270 D C 0.962 177.417 176.300 0.258 0.000 1.196 270 D CA -0.593 53.566 54.000 0.265 0.000 0.916 270 D CB 0.996 42.031 40.800 0.391 0.000 2.216 270 D HN 0.103 nan 8.370 nan 0.000 0.512 271 V N 3.480 123.497 119.914 0.172 0.000 2.278 271 V HA -0.300 3.820 4.120 -0.000 0.000 0.251 271 V C 1.725 177.640 176.094 -0.298 0.000 1.062 271 V CA 1.867 64.021 62.300 -0.243 0.000 1.038 271 V CB -0.743 30.659 31.823 -0.703 0.000 0.646 271 V HN 0.621 nan 8.190 nan 0.000 0.447 272 Y N -0.154 120.277 120.300 0.218 0.000 2.571 272 Y HA -0.027 4.523 4.550 -0.000 0.000 0.294 272 Y C 2.305 178.409 175.900 0.340 0.000 1.141 272 Y CA 1.149 59.395 58.100 0.242 0.000 1.308 272 Y CB -0.377 38.194 38.460 0.185 0.000 1.002 272 Y HN 0.215 nan 8.280 nan 0.000 0.551 273 K N -1.401 119.207 120.400 0.348 0.000 2.276 273 K HA -0.008 4.312 4.320 -0.000 0.000 0.198 273 K C 0.656 177.105 176.600 -0.251 0.000 1.052 273 K CA 0.437 56.780 56.287 0.093 0.000 0.984 273 K CB -0.039 32.467 32.500 0.009 0.000 0.836 273 K HN 0.228 nan 8.250 nan 0.000 0.490 274 W N 0.252 121.421 121.300 -0.218 0.000 3.278 274 W HA 0.316 4.976 4.660 -0.000 0.000 0.308 274 W C 0.875 177.351 176.519 -0.071 0.000 1.253 274 W CA 0.487 57.634 57.345 -0.330 0.000 1.759 274 W CB 0.727 30.025 29.460 -0.270 0.000 1.093 274 W HN 0.329 nan 8.180 nan 0.000 0.648 275 G N 0.329 109.296 108.800 0.279 0.000 2.159 275 G HA2 0.080 4.040 3.960 -0.000 0.000 0.256 275 G HA3 0.080 4.040 3.960 -0.000 0.000 0.256 275 G C 0.430 175.572 174.900 0.403 0.000 0.977 275 G CA 0.052 45.407 45.100 0.426 0.000 0.652 275 G HN 0.848 nan 8.290 nan 0.000 0.531 276 G N -1.933 107.010 108.800 0.238 0.000 2.328 276 G HA2 0.481 4.441 3.960 -0.000 0.000 0.299 276 G HA3 0.481 4.441 3.960 -0.000 0.000 0.299 276 G C 0.533 175.471 174.900 0.064 0.000 1.435 276 G CA -0.137 45.093 45.100 0.218 0.000 0.865 276 G HN 0.537 nan 8.290 nan 0.000 0.601 277 I N 0.838 121.419 120.570 0.017 0.000 2.233 277 I HA -0.062 4.108 4.170 -0.000 0.000 0.243 277 I C 3.114 179.161 176.117 -0.117 0.000 1.093 277 I CA 1.709 62.888 61.300 -0.202 0.000 1.380 277 I CB -0.332 37.253 38.000 -0.691 0.000 1.067 277 I HN 0.642 nan 8.210 nan 0.000 0.413 278 A N 0.988 123.848 122.820 0.067 0.000 1.908 278 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 278 A C 2.555 180.167 177.584 0.047 0.000 1.181 278 A CA 1.973 54.073 52.037 0.104 0.000 0.627 278 A CB -0.876 18.259 19.000 0.224 0.000 0.818 278 A HN 0.435 nan 8.150 nan 0.000 0.445 279 A N -1.032 121.829 122.820 0.069 0.000 1.908 279 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 279 A C 2.301 179.941 177.584 0.094 0.000 1.181 279 A CA 2.402 54.553 52.037 0.189 0.000 0.627 279 A CB -1.268 17.918 19.000 0.310 0.000 0.818 279 A HN 0.450 nan 8.150 nan 0.000 0.445 280 T N -0.120 114.405 114.554 -0.048 0.000 2.821 280 T HA -0.078 4.271 4.350 -0.000 0.000 0.267 280 T C 1.932 176.538 174.700 -0.156 0.000 1.046 280 T CA 1.353 63.333 62.100 -0.200 0.000 1.139 280 T CB -0.109 68.657 68.868 -0.170 0.000 0.871 280 T HN 0.341 nan 8.240 nan 0.000 0.454 281 K N 1.535 121.879 120.400 -0.094 0.000 2.097 281 K HA 0.125 4.445 4.320 -0.000 0.000 0.206 281 K C 2.564 179.149 176.600 -0.026 0.000 1.049 281 K CA 1.151 57.396 56.287 -0.069 0.000 0.933 281 K CB -0.646 31.820 32.500 -0.058 0.000 0.717 281 K HN 0.364 nan 8.250 nan 0.000 0.442 282 A N 1.384 124.210 122.820 0.010 0.000 1.898 282 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 282 A C 2.162 179.814 177.584 0.113 0.000 1.181 282 A CA 1.059 53.134 52.037 0.064 0.000 0.620 282 A CB -0.489 18.509 19.000 -0.003 0.000 0.819 282 A HN 0.214 nan 8.150 nan 0.000 0.442 283 L N -0.084 121.124 121.223 -0.026 0.000 2.083 283 L HA -0.071 4.269 4.340 -0.000 0.000 0.209 283 L C 2.609 179.392 176.870 -0.146 0.000 1.083 283 L CA 2.087 56.751 54.840 -0.293 0.000 0.752 283 L CB -0.926 40.656 42.059 -0.794 0.000 0.899 283 L HN 0.351 nan 8.230 nan 0.000 0.433 284 A N -0.344 122.412 122.820 -0.107 0.000 1.883 284 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 284 A C 2.486 180.082 177.584 0.019 0.000 1.186 284 A CA 2.081 54.087 52.037 -0.053 0.000 0.624 284 A CB -1.264 17.703 19.000 -0.056 0.000 0.822 284 A HN 0.582 nan 8.150 nan 0.000 0.444 285 A N -0.920 121.929 122.820 0.048 0.000 1.908 285 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 285 A C 1.964 179.599 177.584 0.086 0.000 1.181 285 A CA 2.102 54.172 52.037 0.055 0.000 0.627 285 A CB -0.934 18.093 19.000 0.044 0.000 0.818 285 A HN 0.658 nan 8.150 nan 0.000 0.445 286 H N -0.925 118.119 119.070 -0.043 0.000 2.319 286 H HA -0.147 4.409 4.556 -0.000 0.000 0.299 286 H C 2.270 177.718 175.328 0.200 0.000 1.092 286 H CA 1.779 57.803 56.048 -0.039 0.000 1.302 286 H CB -0.706 28.736 29.762 -0.533 0.000 1.373 286 H HN 0.528 nan 8.280 nan 0.000 0.497 287 C N 0.576 120.027 119.300 0.253 0.000 2.425 287 C HA -0.119 4.341 4.460 -0.000 0.000 0.277 287 C C 2.525 177.632 174.990 0.195 0.000 1.280 287 C CA 0.940 60.106 59.018 0.247 0.000 1.744 287 C CB -0.544 27.262 27.740 0.109 0.000 1.989 287 C HN 0.647 nan 8.230 nan 0.000 0.491 288 E N 0.261 120.534 120.200 0.122 0.000 2.077 288 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 288 E C 2.135 178.773 176.600 0.064 0.000 0.989 288 E CA 1.698 58.140 56.400 0.071 0.000 0.800 288 E CB -0.365 29.355 29.700 0.033 0.000 0.746 288 E HN 0.606 nan 8.360 nan 0.000 0.452 289 T N 0.621 115.220 114.554 0.076 0.000 2.746 289 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 289 T C 1.126 175.752 174.700 -0.124 0.000 1.039 289 T CA 1.078 63.159 62.100 -0.032 0.000 1.142 289 T CB -0.214 68.633 68.868 -0.034 0.000 0.866 289 T HN 0.084 nan 8.240 nan 0.000 0.444 290 F N 0.730 120.750 119.950 0.116 0.000 2.645 290 F HA 0.395 4.922 4.527 -0.000 0.000 0.300 290 F C 1.636 177.475 175.800 0.065 0.000 1.115 290 F CA -0.425 57.643 58.000 0.113 0.000 1.355 290 F CB -0.169 38.948 39.000 0.196 0.000 1.026 290 F HN 0.240 nan 8.300 nan 0.000 0.536 291 G N 1.593 110.477 108.800 0.140 0.000 2.305 291 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.287 291 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.287 291 G C -0.050 174.909 174.900 0.098 0.000 1.036 291 G CA -0.046 45.107 45.100 0.088 0.000 0.887 291 G HN 0.333 nan 8.290 nan 0.000 0.505 292 L N -0.241 121.059 121.223 0.127 0.000 2.334 292 L HA 0.724 5.064 4.340 -0.000 0.000 0.275 292 L C 1.347 178.242 176.870 0.042 0.000 1.036 292 L CA -0.566 54.322 54.840 0.081 0.000 0.807 292 L CB 1.442 43.567 42.059 0.110 0.000 1.231 292 L HN 0.226 nan 8.230 nan 0.000 0.438 296 L N 1.512 122.846 121.223 0.185 0.000 2.334 296 L HA 0.415 4.755 4.340 -0.000 0.000 0.276 296 L C -0.394 176.413 176.870 -0.105 0.000 1.014 296 L CA -0.847 53.989 54.840 -0.006 0.000 0.815 296 L CB 1.505 43.408 42.059 -0.260 0.000 1.268 296 L HN 0.709 nan 8.230 nan 0.000 0.428 297 H N 1.531 120.390 119.070 -0.352 0.000 2.472 297 H HA 0.410 4.966 4.556 -0.000 0.000 0.335 297 H C -0.714 174.556 175.328 -0.095 0.000 1.136 297 H CA -0.167 55.608 56.048 -0.454 0.000 1.264 297 H CB 1.808 31.333 29.762 -0.395 0.000 1.486 297 H HN 0.482 nan 8.280 nan 0.000 0.517 298 S N 1.991 117.296 115.700 -0.658 0.000 2.501 298 S HA 0.538 5.008 4.470 -0.000 0.000 0.301 298 S C 0.441 174.706 174.600 -0.558 0.000 1.096 298 S CA -0.147 57.820 58.200 -0.389 0.000 1.063 298 S CB 0.757 63.882 63.200 -0.125 0.000 1.042 298 S HN 0.938 nan 8.310 nan 0.000 0.494 299 G N 1.144 109.824 108.800 -0.201 0.000 4.100 299 G HA2 0.484 4.444 3.960 -0.000 0.000 0.294 299 G HA3 0.484 4.444 3.960 -0.000 0.000 0.294 299 G C 0.765 175.661 174.900 -0.007 0.000 1.040 299 G CA 0.003 45.067 45.100 -0.059 0.000 0.829 299 G HN 1.670 nan 8.290 nan 0.000 0.505 300 G N 0.223 109.003 108.800 -0.032 0.000 2.165 300 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.226 300 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.226 300 G C -0.069 174.814 174.900 -0.028 0.000 1.035 300 G CA -0.245 44.840 45.100 -0.026 0.000 0.744 300 G HN 0.475 nan 8.290 nan 0.000 0.501 301 E N -0.232 119.956 120.200 -0.020 0.000 2.384 301 E HA 0.604 4.954 4.350 -0.000 0.000 0.266 301 E C 1.367 177.997 176.600 0.050 0.000 1.012 301 E CA 0.028 56.398 56.400 -0.051 0.000 0.901 301 E CB 0.946 30.625 29.700 -0.035 0.000 0.967 301 E HN 0.463 nan 8.360 nan 0.000 0.435 302 L N 0.947 122.185 121.223 0.026 0.000 2.935 302 L HA 0.403 4.743 4.340 -0.000 0.000 0.214 302 L C 1.982 178.919 176.870 0.112 0.000 1.574 302 L CA -0.293 54.628 54.840 0.135 0.000 1.628 302 L CB -0.284 41.794 42.059 0.031 0.000 2.455 302 L HN 0.748 nan 8.230 nan 0.000 0.578 303 G N 0.087 108.962 108.800 0.124 0.000 2.586 303 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 303 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 303 G C 1.369 176.212 174.900 -0.096 0.000 1.216 303 G CA 1.240 46.321 45.100 -0.031 0.000 0.786 303 G HN 0.469 nan 8.290 nan 0.000 0.583 304 I N 1.459 121.996 120.570 -0.055 0.000 2.127 304 I HA -0.228 3.942 4.170 -0.000 0.000 0.241 304 I C 3.355 179.470 176.117 -0.003 0.000 1.075 304 I CA 1.241 62.528 61.300 -0.022 0.000 1.334 304 I CB -0.381 37.629 38.000 0.017 0.000 1.040 304 I HN 0.276 nan 8.210 nan 0.000 0.405 305 A N 0.205 123.001 122.820 -0.039 0.000 1.902 305 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 305 A C 2.370 179.956 177.584 0.005 0.000 1.181 305 A CA 2.483 54.489 52.037 -0.051 0.000 0.623 305 A CB -1.095 17.683 19.000 -0.370 0.000 0.818 305 A HN 0.420 nan 8.150 nan 0.000 0.443 306 T N 0.181 114.708 114.554 -0.044 0.000 2.821 306 T HA 0.043 4.393 4.350 -0.000 0.000 0.267 306 T C 2.202 176.877 174.700 -0.041 0.000 1.046 306 T CA 1.324 63.401 62.100 -0.040 0.000 1.139 306 T CB -0.394 68.322 68.868 -0.252 0.000 0.871 306 T HN 0.596 nan 8.240 nan 0.000 0.454 307 A N 1.520 124.293 122.820 -0.079 0.000 1.940 307 A HA 0.102 4.422 4.320 -0.000 0.000 0.219 307 A C 2.625 180.208 177.584 -0.000 0.000 1.176 307 A CA 1.859 53.866 52.037 -0.051 0.000 0.631 307 A CB -1.065 17.908 19.000 -0.045 0.000 0.814 307 A HN 0.509 nan 8.150 nan 0.000 0.446 308 A N -1.201 121.632 122.820 0.021 0.000 1.858 308 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 308 A C 2.082 179.680 177.584 0.023 0.000 1.190 308 A CA 1.749 53.789 52.037 0.005 0.000 0.617 308 A CB -0.924 18.088 19.000 0.020 0.000 0.827 308 A HN 0.588 nan 8.150 nan 0.000 0.443 309 H N -0.141 118.944 119.070 0.026 0.000 2.421 309 H HA -0.026 4.530 4.556 -0.000 0.000 0.298 309 H C 1.997 177.309 175.328 -0.028 0.000 1.087 309 H CA 1.442 57.489 56.048 -0.002 0.000 1.330 309 H CB -0.362 29.431 29.762 0.053 0.000 1.388 309 H HN 0.418 nan 8.280 nan 0.000 0.526 310 L N -0.427 120.853 121.223 0.095 0.000 2.093 310 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 310 L C 2.749 179.622 176.870 0.005 0.000 1.085 310 L CA 0.896 55.753 54.840 0.030 0.000 0.755 310 L CB -0.457 41.600 42.059 -0.003 0.000 0.904 310 L HN 0.214 nan 8.230 nan 0.000 0.435 311 A N -0.331 122.484 122.820 -0.009 0.000 1.902 311 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 311 A C 2.330 179.878 177.584 -0.060 0.000 1.181 311 A CA 1.652 53.666 52.037 -0.038 0.000 0.623 311 A CB -0.715 18.248 19.000 -0.061 0.000 0.818 311 A HN 0.186 nan 8.150 nan 0.000 0.443 312 V N -0.406 119.471 119.914 -0.061 0.000 2.270 312 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 312 V C 2.593 178.656 176.094 -0.053 0.000 1.043 312 V CA 2.007 64.260 62.300 -0.079 0.000 1.014 312 V CB -0.809 30.978 31.823 -0.059 0.000 0.645 312 V HN 0.370 nan 8.190 nan 0.000 0.447 313 V N -0.315 119.581 119.914 -0.030 0.000 2.287 313 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 313 V C 2.679 178.763 176.094 -0.018 0.000 1.053 313 V CA 2.404 64.689 62.300 -0.024 0.000 1.027 313 V CB -0.832 30.985 31.823 -0.010 0.000 0.646 313 V HN 0.618 nan 8.190 nan 0.000 0.447 314 S N 0.611 116.303 115.700 -0.014 0.000 2.400 314 S HA -0.183 4.287 4.470 -0.000 0.000 0.232 314 S C 1.908 176.500 174.600 -0.014 0.000 1.025 314 S CA 2.000 60.194 58.200 -0.011 0.000 0.993 314 S CB -0.302 62.892 63.200 -0.010 0.000 0.808 314 S HN 0.821 nan 8.310 nan 0.000 0.478 315 S N -0.681 115.004 115.700 -0.024 0.000 2.557 315 S HA 0.278 4.748 4.470 -0.000 0.000 0.223 315 S C 0.099 174.684 174.600 -0.025 0.000 0.969 315 S CA -0.450 57.736 58.200 -0.023 0.000 0.927 315 S CB 0.412 63.592 63.200 -0.033 0.000 0.806 315 S HN 0.287 nan 8.310 nan 0.000 0.489 316 T N 3.854 118.392 114.554 -0.027 0.000 2.864 316 T HA 0.404 4.754 4.350 -0.000 0.000 0.310 316 T C -2.276 172.414 174.700 -0.017 0.000 1.040 316 T CA -1.299 60.785 62.100 -0.027 0.000 0.977 316 T CB 1.697 70.539 68.868 -0.043 0.000 0.976 316 T HN -0.102 nan 8.240 nan 0.000 0.459 317 P HA -0.143 nan 4.420 nan 0.000 0.216 317 P C 1.704 179.004 177.300 -0.001 0.000 1.157 317 P CA 0.535 63.633 63.100 -0.003 0.000 0.880 317 P CB 0.184 31.883 31.700 -0.001 0.000 0.791 318 V N -0.958 118.953 119.914 -0.004 0.000 2.867 318 V HA -0.120 4.000 4.120 -0.000 0.000 0.260 318 V C 1.180 177.273 176.094 -0.002 0.000 1.099 318 V CA 1.150 63.449 62.300 -0.000 0.000 1.122 318 V CB -0.897 30.925 31.823 -0.001 0.000 0.708 318 V HN 0.015 nan 8.190 nan 0.000 0.490 319 L N 1.273 122.491 121.223 -0.008 0.000 2.536 319 L HA 0.194 4.534 4.340 -0.000 0.000 0.242 319 L C 1.250 178.127 176.870 0.011 0.000 1.280 319 L CA 0.371 55.209 54.840 -0.003 0.000 1.221 319 L CB 0.252 42.298 42.059 -0.021 0.000 1.449 319 L HN 0.359 nan 8.230 nan 0.000 0.405 320 S N -0.832 114.881 115.700 0.020 0.000 2.557 320 S HA 0.233 4.703 4.470 -0.000 0.000 0.223 320 S C 0.789 175.413 174.600 0.039 0.000 0.969 320 S CA -0.614 57.601 58.200 0.026 0.000 0.927 320 S CB 0.237 63.450 63.200 0.022 0.000 0.806 320 S HN 0.462 nan 8.310 nan 0.000 0.489 321 R N 0.804 121.336 120.500 0.053 0.000 2.608 321 R HA 0.741 5.081 4.340 -0.000 0.000 0.255 321 R C -0.242 176.106 176.300 0.080 0.000 1.086 321 R CA -0.416 55.728 56.100 0.073 0.000 1.125 321 R CB 0.561 30.927 30.300 0.110 0.000 1.193 321 R HN 0.242 nan 8.270 nan 0.000 0.553 322 A N 2.054 124.927 122.820 0.088 0.000 2.347 322 A HA 0.266 4.586 4.320 -0.000 0.000 0.287 322 A C 0.545 178.209 177.584 0.133 0.000 1.199 322 A CA -0.469 51.630 52.037 0.103 0.000 0.851 322 A CB -0.623 18.436 19.000 0.098 0.000 1.118 322 A HN 0.699 nan 8.150 nan 0.000 0.525 323 I N -0.567 120.080 120.570 0.127 0.000 3.004 323 I HA 0.343 4.513 4.170 -0.000 0.000 0.287 323 I C -0.584 175.624 176.117 0.152 0.000 1.144 323 I CA -0.692 60.688 61.300 0.132 0.000 1.353 323 I CB 0.506 38.547 38.000 0.068 0.000 1.417 323 I HN 0.354 nan 8.210 nan 0.000 0.602 324 D N 3.050 123.530 120.400 0.133 0.000 2.312 324 D HA 0.464 5.104 4.640 -0.000 0.000 0.252 324 D C -0.336 176.020 176.300 0.094 0.000 1.150 324 D CA 0.236 54.306 54.000 0.116 0.000 0.870 324 D CB 1.376 42.215 40.800 0.064 0.000 1.153 324 D HN 0.667 nan 8.370 nan 0.000 0.457 328 Y N -0.013 120.401 120.300 0.190 0.000 2.578 328 Y HA 0.359 4.909 4.550 -0.000 0.000 0.297 328 Y C 0.759 176.663 175.900 0.007 0.000 1.176 328 Y CA 0.599 58.788 58.100 0.148 0.000 1.315 328 Y CB -0.681 38.009 38.460 0.384 0.000 1.031 328 Y HN 0.165 nan 8.280 nan 0.000 0.524 329 L N 0.869 121.950 121.223 -0.236 0.000 2.693 329 L HA 0.172 4.512 4.340 -0.000 0.000 0.235 329 L C 0.515 177.256 176.870 -0.214 0.000 1.127 329 L CA -0.391 54.326 54.840 -0.205 0.000 0.914 329 L CB -0.599 41.312 42.059 -0.247 0.000 1.193 329 L HN 0.386 nan 8.230 nan 0.000 0.502 330 H N -0.778 118.081 119.070 -0.350 0.000 2.679 330 H HA 0.582 5.138 4.556 -0.000 0.000 0.369 330 H C 0.104 175.285 175.328 -0.245 0.000 1.178 330 H CA 0.185 56.024 56.048 -0.349 0.000 1.419 330 H CB 1.027 30.431 29.762 -0.597 0.000 1.458 330 H HN 0.064 nan 8.280 nan 0.000 0.605 331 A N 1.977 124.684 122.820 -0.188 0.000 3.426 331 A HA 0.263 4.583 4.320 -0.000 0.000 0.185 331 A C -0.443 177.146 177.584 0.008 0.000 1.057 331 A CA 0.016 51.945 52.037 -0.179 0.000 1.261 331 A CB -0.385 18.545 19.000 -0.118 0.000 1.676 331 A HN 0.802 nan 8.150 nan 0.000 0.658 332 D N 0.360 120.762 120.400 0.004 0.000 2.382 332 D HA 0.435 5.075 4.640 -0.000 0.000 0.245 332 D C -0.936 175.354 176.300 -0.018 0.000 1.120 332 D CA 0.377 54.411 54.000 0.056 0.000 0.890 332 D CB 0.629 41.514 40.800 0.142 0.000 1.201 332 D HN 0.325 nan 8.370 nan 0.000 0.433 333 D N 1.188 121.598 120.400 0.015 0.000 2.531 333 D HA 0.203 4.843 4.640 -0.000 0.000 0.244 333 D C 0.855 177.145 176.300 -0.017 0.000 1.090 333 D CA -0.625 53.342 54.000 -0.055 0.000 0.989 333 D CB 1.308 42.096 40.800 -0.020 0.000 1.433 333 D HN 0.435 nan 8.370 nan 0.000 0.492 334 I N -0.373 120.161 120.570 -0.061 0.000 3.564 334 I HA 0.228 4.398 4.170 -0.000 0.000 0.294 334 I C 0.548 176.578 176.117 -0.146 0.000 1.289 334 I CA 0.046 61.303 61.300 -0.073 0.000 1.325 334 I CB -0.524 37.400 38.000 -0.126 0.000 1.039 334 I HN 0.230 nan 8.210 nan 0.000 0.474 335 I N -2.916 117.588 120.570 -0.110 0.000 3.174 335 I HA 0.568 4.738 4.170 -0.000 0.000 0.313 335 I C -0.329 175.754 176.117 -0.057 0.000 1.155 335 I CA -0.999 60.230 61.300 -0.118 0.000 0.977 335 I CB 1.501 39.423 38.000 -0.131 0.000 1.248 335 I HN -0.222 nan 8.210 nan 0.000 0.453 336 E N 2.309 122.482 120.200 -0.045 0.000 2.415 336 E HA 0.241 4.591 4.350 -0.000 0.000 0.262 336 E C -2.282 174.322 176.600 0.008 0.000 1.038 336 E CA -1.174 55.221 56.400 -0.009 0.000 0.921 336 E CB 0.043 29.740 29.700 -0.005 0.000 0.950 336 E HN 0.434 nan 8.360 nan 0.000 0.438 337 P HA 0.019 nan 4.420 nan 0.000 0.267 337 P C -0.181 177.166 177.300 0.078 0.000 1.200 337 P CA 0.222 63.364 63.100 0.069 0.000 0.772 337 P CB 0.446 32.242 31.700 0.161 0.000 0.855 338 L N 2.030 123.314 121.223 0.101 0.000 2.456 338 L HA 0.220 4.560 4.340 -0.000 0.000 0.257 338 L C 1.207 178.175 176.870 0.163 0.000 1.162 338 L CA -0.551 54.319 54.840 0.049 0.000 0.808 338 L CB 0.197 42.138 42.059 -0.197 0.000 1.136 338 L HN 0.490 nan 8.230 nan 0.000 0.466 339 H N 2.722 121.823 119.070 0.051 0.000 2.846 339 H HA 0.240 4.796 4.556 -0.000 0.000 0.278 339 H C -1.302 174.080 175.328 0.090 0.000 1.117 339 H CA -0.521 55.569 56.048 0.069 0.000 1.406 339 H CB 1.006 30.789 29.762 0.034 0.000 1.445 339 H HN 0.197 nan 8.280 nan 0.000 0.469 340 L N 6.008 127.213 121.223 -0.029 0.000 2.316 340 L HA 0.347 4.686 4.340 -0.000 0.000 0.280 340 L C -0.806 176.004 176.870 -0.100 0.000 1.006 340 L CA -0.295 54.576 54.840 0.053 0.000 0.836 340 L CB 1.342 43.523 42.059 0.204 0.000 1.221 340 L HN 0.744 nan 8.230 nan 0.000 0.418 341 E N 4.115 124.284 120.200 -0.052 0.000 2.308 341 E HA 0.363 4.713 4.350 -0.000 0.000 0.275 341 E C -0.623 175.953 176.600 -0.040 0.000 0.890 341 E CA -0.534 55.824 56.400 -0.069 0.000 0.754 341 E CB 1.090 30.767 29.700 -0.038 0.000 1.207 341 E HN 0.720 nan 8.360 nan 0.000 0.426 342 N N 3.031 121.681 118.700 -0.083 0.000 2.714 342 N HA -0.273 4.467 4.740 -0.000 0.000 0.252 342 N C 0.436 175.856 175.510 -0.150 0.000 1.014 342 N CA 0.475 53.462 53.050 -0.105 0.000 0.735 342 N CB -0.914 37.544 38.487 -0.048 0.000 0.924 342 N HN 0.948 nan 8.380 nan 0.000 0.540 343 G N -0.630 108.012 108.800 -0.263 0.000 2.153 343 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.252 343 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.252 343 G C -0.003 174.855 174.900 -0.072 0.000 0.994 343 G CA 0.849 45.756 45.100 -0.322 0.000 0.698 343 G HN 0.557 nan 8.290 nan 0.000 0.521 344 R N -1.242 119.252 120.500 -0.009 0.000 2.673 344 R HA 0.704 5.044 4.340 -0.000 0.000 0.281 344 R C -0.287 176.072 176.300 0.100 0.000 0.991 344 R CA -0.827 55.307 56.100 0.057 0.000 0.896 344 R CB 1.628 31.956 30.300 0.048 0.000 1.201 344 R HN 0.131 nan 8.270 nan 0.000 0.457 345 L N 2.327 123.614 121.223 0.106 0.000 2.289 345 L HA 0.515 4.855 4.340 -0.000 0.000 0.285 345 L C 0.276 177.199 176.870 0.088 0.000 1.049 345 L CA -0.604 54.302 54.840 0.110 0.000 0.804 345 L CB 1.376 43.478 42.059 0.072 0.000 1.195 345 L HN 0.394 nan 8.230 nan 0.000 0.428 346 R N 2.159 122.728 120.500 0.115 0.000 2.308 346 R HA 0.367 4.707 4.340 -0.000 0.000 0.305 346 R C -0.883 175.423 176.300 0.011 0.000 1.053 346 R CA -0.639 55.484 56.100 0.040 0.000 0.957 346 R CB 1.106 31.381 30.300 -0.041 0.000 1.022 346 R HN 0.393 nan 8.270 nan 0.000 0.461 347 V N 7.600 127.511 119.914 -0.006 0.000 2.485 347 V HA 0.103 4.223 4.120 -0.000 0.000 0.287 347 V C -1.775 174.310 176.094 -0.016 0.000 1.022 347 V CA -1.137 61.156 62.300 -0.010 0.000 1.067 347 V CB 0.641 32.459 31.823 -0.008 0.000 0.967 347 V HN 0.833 nan 8.190 nan 0.000 0.479 348 P HA 0.127 nan 4.420 nan 0.000 0.267 348 P C -0.323 176.973 177.300 -0.006 0.000 1.201 348 P CA 0.201 63.293 63.100 -0.013 0.000 0.775 348 P CB 0.433 32.123 31.700 -0.016 0.000 0.854 349 S N 0.556 116.253 115.700 -0.004 0.000 2.566 349 S HA 0.884 5.354 4.470 -0.000 0.000 0.298 349 S C -0.183 174.424 174.600 0.011 0.000 1.083 349 S CA -0.049 58.153 58.200 0.003 0.000 0.978 349 S CB 1.641 64.838 63.200 -0.004 0.000 1.073 349 S HN 0.910 nan 8.310 nan 0.000 0.491 350 G N 1.335 110.147 108.800 0.020 0.000 2.406 350 G HA2 0.180 4.140 3.960 -0.000 0.000 0.680 350 G HA3 0.180 4.140 3.960 -0.000 0.000 0.680 350 G C -3.459 171.464 174.900 0.040 0.000 1.338 350 G CA -0.640 44.476 45.100 0.027 0.000 0.941 350 G HN 0.740 nan 8.290 nan 0.000 0.633 351 P HA 0.407 nan 4.420 nan 0.000 0.267 351 P C 1.306 178.649 177.300 0.071 0.000 1.200 351 P CA 1.799 64.936 63.100 0.062 0.000 0.772 351 P CB 0.687 32.423 31.700 0.061 0.000 0.855 352 G N 1.821 110.674 108.800 0.088 0.000 2.566 352 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.280 352 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.280 352 G C 0.892 175.847 174.900 0.093 0.000 1.225 352 G CA 0.259 45.422 45.100 0.105 0.000 0.966 352 G HN 0.473 nan 8.290 nan 0.000 0.560 353 L N 1.848 123.128 121.223 0.094 0.000 2.362 353 L HA 0.269 4.609 4.340 -0.000 0.000 0.219 353 L C 2.451 179.343 176.870 0.037 0.000 1.134 353 L CA 1.312 56.192 54.840 0.066 0.000 0.807 353 L CB -0.677 41.428 42.059 0.077 0.000 0.927 353 L HN 2.132 nan 8.230 nan 0.000 0.447 354 G N 0.596 109.419 108.800 0.039 0.000 2.137 354 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.237 354 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.237 354 G C 0.076 174.978 174.900 0.004 0.000 1.002 354 G CA 0.176 45.288 45.100 0.021 0.000 0.702 354 G HN 0.305 nan 8.290 nan 0.000 0.515 355 V N -3.258 116.657 119.914 0.001 0.000 3.001 355 V HA 0.958 5.078 4.120 -0.000 0.000 0.314 355 V C -0.031 176.030 176.094 -0.055 0.000 1.099 355 V CA -0.390 61.890 62.300 -0.034 0.000 0.989 355 V CB 2.146 33.938 31.823 -0.053 0.000 1.040 355 V HN 1.141 nan 8.190 nan 0.000 0.434 356 S N 1.461 117.102 115.700 -0.098 0.000 2.605 356 S HA 0.683 5.153 4.470 -0.000 0.000 0.308 356 S C -0.829 173.622 174.600 -0.248 0.000 1.113 356 S CA -0.468 57.651 58.200 -0.135 0.000 1.049 356 S CB 1.375 64.529 63.200 -0.075 0.000 1.001 356 S HN 0.959 nan 8.310 nan 0.000 0.480 357 V N 4.918 124.565 119.914 -0.445 0.000 2.432 357 V HA 0.257 4.377 4.120 -0.000 0.000 0.271 357 V C 0.332 176.169 176.094 -0.429 0.000 1.046 357 V CA -0.599 61.315 62.300 -0.644 0.000 0.945 357 V CB 1.245 32.149 31.823 -1.532 0.000 0.992 357 V HN 0.858 nan 8.190 nan 0.000 0.471 358 D N 4.226 124.443 120.400 -0.305 0.000 2.374 358 D HA 0.094 4.734 4.640 -0.000 0.000 0.240 358 D C 1.091 177.262 176.300 -0.214 0.000 1.229 358 D CA -0.012 53.874 54.000 -0.191 0.000 0.895 358 D CB 0.949 41.678 40.800 -0.118 0.000 1.046 358 D HN 0.648 nan 8.370 nan 0.000 0.498 359 E N 1.931 122.018 120.200 -0.187 0.000 2.338 359 E HA -0.133 4.217 4.350 -0.000 0.000 0.197 359 E C 0.726 177.253 176.600 -0.121 0.000 1.007 359 E CA 0.581 56.878 56.400 -0.171 0.000 0.849 359 E CB 0.470 30.138 29.700 -0.053 0.000 0.774 359 E HN 0.496 nan 8.360 nan 0.000 0.506 360 D N 0.602 120.950 120.400 -0.086 0.000 2.137 360 D HA -0.072 4.568 4.640 -0.000 0.000 0.202 360 D C 1.628 177.886 176.300 -0.069 0.000 0.970 360 D CA 0.860 54.822 54.000 -0.064 0.000 0.837 360 D CB 0.075 40.839 40.800 -0.061 0.000 0.981 360 D HN 0.081 nan 8.370 nan 0.000 0.475 361 K N 0.377 120.733 120.400 -0.074 0.000 2.097 361 K HA -0.116 4.204 4.320 -0.000 0.000 0.206 361 K C 2.062 178.686 176.600 0.041 0.000 1.049 361 K CA 0.375 56.646 56.287 -0.027 0.000 0.933 361 K CB -0.109 32.423 32.500 0.053 0.000 0.717 361 K HN 0.012 nan 8.250 nan 0.000 0.442 362 L N 1.671 122.853 121.223 -0.069 0.000 2.012 362 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 362 L C 2.181 178.967 176.870 -0.141 0.000 1.073 362 L CA 1.696 56.441 54.840 -0.159 0.000 0.748 362 L CB -0.316 41.481 42.059 -0.436 0.000 0.891 362 L HN 0.037 nan 8.230 nan 0.000 0.431 363 R N -1.601 118.825 120.500 -0.123 0.000 2.073 363 R HA -0.235 4.105 4.340 -0.000 0.000 0.234 363 R C 2.340 178.637 176.300 -0.005 0.000 1.134 363 R CA 1.611 57.696 56.100 -0.026 0.000 0.952 363 R CB -0.711 29.599 30.300 0.017 0.000 0.850 363 R HN 0.585 nan 8.270 nan 0.000 0.433 364 H N -0.200 118.786 119.070 -0.140 0.000 2.265 364 H HA -0.202 4.354 4.556 -0.000 0.000 0.295 364 H C 1.497 176.688 175.328 -0.228 0.000 1.084 364 H CA 2.132 58.039 56.048 -0.236 0.000 1.261 364 H CB -0.390 29.121 29.762 -0.419 0.000 1.360 364 H HN 0.181 nan 8.280 nan 0.000 0.487 365 Y N -0.236 119.983 120.300 -0.136 0.000 2.497 365 Y HA 0.062 4.612 4.550 -0.000 0.000 0.292 365 Y C 2.616 178.454 175.900 -0.103 0.000 1.137 365 Y CA 0.787 58.786 58.100 -0.169 0.000 1.285 365 Y CB -0.534 37.901 38.460 -0.041 0.000 0.991 365 Y HN 0.440 nan 8.280 nan 0.000 0.556 366 A N -0.398 122.465 122.820 0.071 0.000 1.970 366 A HA 0.058 4.378 4.320 -0.000 0.000 0.216 366 A C 2.564 180.177 177.584 0.048 0.000 1.170 366 A CA 1.253 53.360 52.037 0.116 0.000 0.645 366 A CB -1.146 17.986 19.000 0.219 0.000 0.816 366 A HN 0.415 nan 8.150 nan 0.000 0.447 367 G N -0.364 108.416 108.800 -0.033 0.000 2.408 367 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.217 367 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.217 367 G C 1.454 176.302 174.900 -0.087 0.000 1.150 367 G CA 1.196 46.261 45.100 -0.058 0.000 0.776 367 G HN 0.277 nan 8.290 nan 0.000 0.542 368 V N 1.682 121.502 119.914 -0.157 0.000 2.407 368 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 368 V C 2.625 178.702 176.094 -0.029 0.000 1.055 368 V CA 1.905 64.139 62.300 -0.109 0.000 1.049 368 V CB -0.437 31.324 31.823 -0.104 0.000 0.662 368 V HN 0.554 nan 8.190 nan 0.000 0.455 369 N N 0.424 119.126 118.700 0.003 0.000 2.270 369 N HA -0.210 4.530 4.740 -0.000 0.000 0.181 369 N C 1.950 177.466 175.510 0.010 0.000 1.016 369 N CA 1.532 54.592 53.050 0.016 0.000 0.870 369 N CB 0.134 38.647 38.487 0.043 0.000 0.979 369 N HN 0.569 nan 8.380 nan 0.000 0.431 370 E N 1.495 121.702 120.200 0.013 0.000 2.110 370 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 370 E C 2.119 178.719 176.600 -0.000 0.000 0.988 370 E CA 1.114 57.522 56.400 0.012 0.000 0.804 370 E CB -0.261 29.450 29.700 0.018 0.000 0.745 370 E HN 0.317 nan 8.360 nan 0.000 0.458 371 R N -0.305 120.189 120.500 -0.010 0.000 2.062 371 R HA -0.044 4.296 4.340 -0.000 0.000 0.226 371 R C 0.831 177.124 176.300 -0.012 0.000 1.125 371 R CA 1.612 57.705 56.100 -0.013 0.000 0.966 371 R CB 0.044 30.331 30.300 -0.021 0.000 0.861 371 R HN 0.159 nan 8.270 nan 0.000 0.433 372 D N -0.541 119.850 120.400 -0.014 0.000 2.367 372 D HA 0.162 4.802 4.640 -0.000 0.000 0.207 372 D C 0.746 177.033 176.300 -0.020 0.000 1.034 372 D CA 0.937 54.927 54.000 -0.017 0.000 0.861 372 D CB 0.694 41.484 40.800 -0.017 0.000 0.943 372 D HN 0.460 nan 8.370 nan 0.000 0.515 373 G N 1.346 110.136 108.800 -0.017 0.000 2.828 373 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.463 373 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.463 373 G C -0.777 174.102 174.900 -0.035 0.000 1.394 373 G CA -0.760 44.328 45.100 -0.021 0.000 0.862 373 G HN 0.051 nan 8.290 nan 0.000 0.540 374 D N -0.296 120.075 120.400 -0.048 0.000 2.423 374 D HA 0.357 4.997 4.640 -0.000 0.000 0.238 374 D C 1.626 177.859 176.300 -0.113 0.000 1.142 374 D CA 0.137 54.087 54.000 -0.083 0.000 0.884 374 D CB 0.801 41.536 40.800 -0.109 0.000 1.199 374 D HN 0.419 nan 8.370 nan 0.000 0.438 375 L N 0.321 121.463 121.223 -0.135 0.000 2.642 375 L HA 0.123 4.463 4.340 -0.000 0.000 0.233 375 L C 0.777 177.522 176.870 -0.208 0.000 1.077 375 L CA 0.452 55.209 54.840 -0.138 0.000 0.879 375 L CB 0.268 42.267 42.059 -0.100 0.000 1.151 375 L HN 0.280 nan 8.230 nan 0.000 0.495 376 T N 0.000 114.371 114.554 -0.306 0.000 3.816 376 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 376 T CA 0.000 61.800 62.100 -0.500 0.000 1.349 376 T CB 0.000 68.619 68.868 -0.416 0.000 0.612 376 T HN 0.000 nan 8.240 nan 0.000 0.658