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 2r5h_1_A DATA FIRST_RESID 20 DATA SEQUENCE AVVSTDEYVA RTNIYYHAGT SRLLAVGHPY FPIKKPNNNK ILVPKVSGLQ DATA SEQUENCE YRVFRIHLPD PNKFGFPDTS FYNPDTQRLV WACVGVEVGR GQPLGVGISG DATA SEQUENCE HPLLNKLDDT ENASAYAANA GVDNRECISM DYKQTQLCLI GCKPPIGEHW DATA SEQUENCE GKGSPCTQVA VQPGDCPPLE LINTVIQDGD MVDTGFGAMD FTTLQANKSE DATA SEQUENCE VPLDICTSIC KYPDYIKMVS EPYGDSLFFY LRREQMFVRH LFNRAGTVGE DATA SEQUENCE NVPDDLYIKG SGSTANLASS NYFPTPSGSM VTSDAQIFNK PYWLQRAQGH DATA SEQUENCE NNGICWGNQL FVTVVDTTRS TNMSLCAAIS TSETTYKNTN FKEYLRHGEE DATA SEQUENCE YDLQFIFQLC KITLTADVMT YIHSMNSTIL EDWNXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXED PLKKYTFWEV NLKEKFSADL DQFPLGRKFL DATA SEQUENCE LQL 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.632 177.584 0.079 0.000 1.274 20 A CA 0.000 52.052 52.037 0.025 0.000 0.836 20 A CB 0.000 19.013 19.000 0.022 0.000 0.831 21 V N 2.002 121.889 119.914 -0.045 0.000 2.630 21 V HA 0.839 4.958 4.120 -0.001 0.000 0.305 21 V C 0.199 176.263 176.094 -0.049 0.000 1.046 21 V CA -0.063 62.195 62.300 -0.069 0.000 0.934 21 V CB 1.584 33.085 31.823 -0.536 0.000 1.003 21 V HN 1.851 nan 8.190 nan 0.000 0.451 22 V N 0.618 120.636 119.914 0.174 0.000 3.120 22 V HA 0.683 4.802 4.120 -0.001 0.000 0.303 22 V C -0.139 176.283 176.094 0.547 0.000 1.238 22 V CA -0.696 61.804 62.300 0.333 0.000 1.008 22 V CB 1.797 33.694 31.823 0.123 0.000 1.064 22 V HN 0.896 nan 8.190 nan 0.000 0.434 23 S N 1.874 117.857 115.700 0.473 0.000 2.642 23 S HA 0.020 4.489 4.470 -0.001 0.000 0.308 23 S C 1.647 176.323 174.600 0.126 0.000 1.255 23 S CA 0.707 59.061 58.200 0.257 0.000 1.057 23 S CB 0.532 63.776 63.200 0.073 0.000 0.785 23 S HN 2.082 nan 8.310 nan 0.000 0.500 24 T N 1.702 116.275 114.554 0.032 0.000 2.929 24 T HA -0.105 4.244 4.350 -0.001 0.000 0.271 24 T C 1.137 175.592 174.700 -0.407 0.000 1.085 24 T CA 1.377 63.229 62.100 -0.414 0.000 1.125 24 T CB -0.383 68.373 68.868 -0.187 0.000 0.874 24 T HN 0.655 nan 8.240 nan 0.000 0.494 25 D N 1.556 121.864 120.400 -0.154 0.000 2.221 25 D HA -0.088 4.551 4.640 -0.001 0.000 0.204 25 D C 2.145 178.399 176.300 -0.078 0.000 0.982 25 D CA 0.990 54.930 54.000 -0.100 0.000 0.857 25 D CB -0.143 40.628 40.800 -0.048 0.000 0.934 25 D HN 0.663 nan 8.370 nan 0.000 0.475 26 E N -0.025 120.143 120.200 -0.054 0.000 2.000 26 E HA -0.200 4.149 4.350 -0.001 0.000 0.199 26 E C 2.079 178.716 176.600 0.061 0.000 1.011 26 E CA 1.203 57.619 56.400 0.026 0.000 0.836 26 E CB -0.511 29.256 29.700 0.112 0.000 0.778 26 E HN 0.550 nan 8.360 nan 0.000 0.462 27 Y N -0.183 120.170 120.300 0.088 0.000 2.529 27 Y HA 0.318 4.867 4.550 -0.001 0.000 0.290 27 Y C 0.310 176.315 175.900 0.175 0.000 1.177 27 Y CA -0.317 57.857 58.100 0.124 0.000 1.305 27 Y CB 0.048 38.592 38.460 0.140 0.000 1.047 27 Y HN -0.280 nan 8.280 nan 0.000 0.522 28 V N 1.455 121.309 119.914 -0.100 0.000 2.628 28 V HA 0.806 4.925 4.120 -0.001 0.000 0.306 28 V C -0.152 175.937 176.094 -0.008 0.000 1.045 28 V CA -1.051 61.241 62.300 -0.014 0.000 0.905 28 V CB 1.330 33.087 31.823 -0.111 0.000 0.997 28 V HN 0.349 nan 8.190 nan 0.000 0.436 29 A N 4.824 127.657 122.820 0.021 0.000 2.318 29 A HA 0.819 5.138 4.320 -0.001 0.000 0.324 29 A C -0.244 177.322 177.584 -0.030 0.000 1.170 29 A CA -0.745 51.293 52.037 0.002 0.000 0.810 29 A CB 0.848 19.863 19.000 0.025 0.000 1.198 29 A HN 0.845 nan 8.150 nan 0.000 0.484 30 R N 1.337 121.815 120.500 -0.035 0.000 2.294 30 R HA 0.517 4.856 4.340 -0.001 0.000 0.319 30 R C 0.475 176.725 176.300 -0.084 0.000 0.984 30 R CA -0.266 55.798 56.100 -0.059 0.000 0.861 30 R CB 1.663 31.942 30.300 -0.035 0.000 1.104 30 R HN 0.870 nan 8.270 nan 0.000 0.451 31 T N -1.344 113.119 114.554 -0.152 0.000 2.867 31 T HA 0.187 4.536 4.350 -0.001 0.000 0.286 31 T C 0.371 174.921 174.700 -0.249 0.000 1.022 31 T CA -0.756 61.229 62.100 -0.192 0.000 0.933 31 T CB 0.786 69.471 68.868 -0.305 0.000 1.280 31 T HN 0.545 nan 8.240 nan 0.000 0.566 32 N N 0.621 119.172 118.700 -0.249 0.000 2.990 32 N HA 0.329 5.068 4.740 -0.001 0.000 0.288 32 N C -1.344 173.956 175.510 -0.349 0.000 1.624 32 N CA -0.308 52.569 53.050 -0.287 0.000 0.961 32 N CB 0.229 38.653 38.487 -0.105 0.000 1.259 32 N HN 0.422 nan 8.380 nan 0.000 0.489 33 I N 2.271 122.520 120.570 -0.534 0.000 2.497 33 I HA 0.278 4.447 4.170 -0.001 0.000 0.284 33 I C -1.036 174.902 176.117 -0.298 0.000 1.060 33 I CA -0.433 60.657 61.300 -0.350 0.000 1.071 33 I CB 0.996 38.823 38.000 -0.288 0.000 1.216 33 I HN 0.175 nan 8.210 nan 0.000 0.442 34 Y N 5.631 126.000 120.300 0.114 0.000 2.393 34 Y HA 0.564 5.114 4.550 -0.001 0.000 0.341 34 Y C -0.663 175.303 175.900 0.111 0.000 0.988 34 Y CA -0.700 57.521 58.100 0.201 0.000 1.078 34 Y CB 2.299 40.891 38.460 0.220 0.000 1.203 34 Y HN 0.357 nan 8.280 nan 0.000 0.453 35 Y N 1.363 121.923 120.300 0.434 0.000 2.536 35 Y HA 0.374 4.923 4.550 -0.002 0.000 0.347 35 Y C -0.312 175.610 175.900 0.037 0.000 1.000 35 Y CA -0.998 57.250 58.100 0.247 0.000 1.051 35 Y CB 1.692 40.280 38.460 0.214 0.000 1.259 35 Y HN 0.552 nan 8.280 nan 0.000 0.468 36 H N 1.350 120.432 119.070 0.020 0.000 2.621 36 H HA 0.900 5.455 4.556 -0.002 0.000 0.360 36 H C -1.746 173.325 175.328 -0.428 0.000 1.163 36 H CA -0.723 55.199 56.048 -0.211 0.000 1.194 36 H CB 1.828 31.433 29.762 -0.261 0.000 1.649 36 H HN 0.846 nan 8.280 nan 0.000 0.532 37 A N 1.784 123.906 122.820 -1.163 0.000 2.582 37 A HA 0.609 4.929 4.320 -0.001 0.000 0.297 37 A C -1.139 176.211 177.584 -0.390 0.000 1.059 37 A CA -0.025 51.707 52.037 -0.509 0.000 0.705 37 A CB 1.366 20.023 19.000 -0.571 0.000 1.279 37 A HN 1.076 nan 8.150 nan 0.000 0.404 38 G N 0.714 109.462 108.800 -0.086 0.000 2.572 38 G HA2 0.621 4.580 3.960 -0.001 0.000 0.306 38 G HA3 0.621 4.580 3.960 -0.001 0.000 0.306 38 G C -0.439 174.508 174.900 0.079 0.000 1.510 38 G CA 0.264 45.389 45.100 0.042 0.000 0.939 38 G HN 1.749 nan 8.290 nan 0.000 0.596 39 T N -0.008 114.595 114.554 0.081 0.000 2.871 39 T HA 0.316 4.665 4.350 -0.001 0.000 0.296 39 T C 1.899 176.655 174.700 0.093 0.000 0.998 39 T CA 0.576 62.731 62.100 0.092 0.000 1.162 39 T CB 1.270 70.189 68.868 0.085 0.000 0.947 39 T HN 1.443 nan 8.240 nan 0.000 0.536 40 S N 2.680 118.444 115.700 0.106 0.000 2.382 40 S HA -0.131 4.338 4.470 -0.001 0.000 0.228 40 S C 0.974 175.629 174.600 0.092 0.000 1.027 40 S CA 0.580 58.842 58.200 0.105 0.000 0.991 40 S CB -0.348 62.917 63.200 0.108 0.000 0.823 40 S HN 0.981 nan 8.310 nan 0.000 0.469 41 R N -0.096 120.467 120.500 0.105 0.000 3.270 41 R HA 0.253 4.593 4.340 -0.001 0.000 0.299 41 R C -1.592 174.800 176.300 0.153 0.000 1.188 41 R CA -0.307 55.857 56.100 0.106 0.000 1.090 41 R CB 0.036 30.391 30.300 0.092 0.000 1.329 41 R HN 0.318 nan 8.270 nan 0.000 0.381 42 L N 3.131 124.463 121.223 0.182 0.000 2.472 42 L HA 0.368 4.707 4.340 -0.001 0.000 0.260 42 L C -0.275 176.793 176.870 0.330 0.000 1.209 42 L CA -0.436 54.584 54.840 0.299 0.000 0.817 42 L CB 0.512 42.695 42.059 0.206 0.000 1.106 42 L HN 0.454 nan 8.230 nan 0.000 0.479 43 L N 1.248 122.722 121.223 0.419 0.000 2.431 43 L HA 0.699 5.039 4.340 -0.001 0.000 0.266 43 L C -0.601 176.446 176.870 0.295 0.000 0.978 43 L CA -0.145 54.873 54.840 0.296 0.000 0.822 43 L CB 1.841 43.999 42.059 0.165 0.000 1.310 43 L HN 0.634 nan 8.230 nan 0.000 0.409 44 A N 3.318 126.267 122.820 0.216 0.000 2.371 44 A HA 0.919 5.238 4.320 -0.001 0.000 0.311 44 A C -1.562 176.027 177.584 0.008 0.000 1.068 44 A CA -0.541 51.545 52.037 0.083 0.000 0.744 44 A CB 1.751 20.814 19.000 0.106 0.000 1.239 44 A HN 0.410 nan 8.150 nan 0.000 0.435 45 V N 1.316 121.221 119.914 -0.015 0.000 2.760 45 V HA 0.873 4.992 4.120 -0.001 0.000 0.309 45 V C 0.538 176.626 176.094 -0.010 0.000 1.077 45 V CA 0.411 62.701 62.300 -0.016 0.000 0.910 45 V CB 1.814 33.637 31.823 0.001 0.000 1.008 45 V HN 1.575 nan 8.190 nan 0.000 0.424 46 G N 1.785 110.589 108.800 0.008 0.000 2.664 46 G HA2 0.412 4.371 3.960 -0.001 0.000 0.303 46 G HA3 0.412 4.371 3.960 -0.001 0.000 0.303 46 G C -1.697 173.250 174.900 0.078 0.000 1.243 46 G CA -0.430 44.695 45.100 0.042 0.000 0.826 46 G HN 0.658 nan 8.290 nan 0.000 0.498 47 H N 1.816 120.872 119.070 -0.024 0.000 2.481 47 H HA 0.401 4.956 4.556 -0.001 0.000 0.333 47 H C -1.565 173.708 175.328 -0.092 0.000 1.066 47 H CA -1.864 54.143 56.048 -0.068 0.000 1.209 47 H CB 2.786 32.433 29.762 -0.191 0.000 1.445 47 H HN 0.165 nan 8.280 nan 0.000 0.488 48 P HA -0.161 nan 4.420 nan 0.000 0.222 48 P C 0.023 177.127 177.300 -0.327 0.000 1.142 48 P CA 1.368 64.306 63.100 -0.269 0.000 0.788 48 P CB 0.286 31.679 31.700 -0.511 0.000 0.767 49 Y N -0.569 119.835 120.300 0.174 0.000 2.678 49 Y HA 0.278 4.827 4.550 -0.002 0.000 0.274 49 Y C 1.413 177.428 175.900 0.191 0.000 1.114 49 Y CA -0.417 57.796 58.100 0.187 0.000 1.274 49 Y CB -0.348 38.289 38.460 0.295 0.000 1.438 49 Y HN -0.170 nan 8.280 nan 0.000 0.493 50 F N -0.643 119.484 119.950 0.295 0.000 2.613 50 F HA 0.829 5.355 4.527 -0.002 0.000 0.314 50 F C -3.292 172.505 175.800 -0.005 0.000 1.075 50 F CA -3.412 54.639 58.000 0.086 0.000 0.945 50 F CB 0.997 40.002 39.000 0.007 0.000 1.310 50 F HN -0.345 nan 8.300 nan 0.000 0.467 51 P HA 0.216 nan 4.420 nan 0.000 0.281 51 P C -0.514 176.859 177.300 0.122 0.000 1.252 51 P CA -0.014 63.139 63.100 0.088 0.000 0.778 51 P CB 1.384 33.136 31.700 0.086 0.000 0.895 52 I N 4.233 124.840 120.570 0.062 0.000 2.357 52 I HA 0.061 4.230 4.170 -0.001 0.000 0.300 52 I C 1.386 177.545 176.117 0.070 0.000 1.159 52 I CA 0.423 61.775 61.300 0.088 0.000 1.339 52 I CB -0.962 37.091 38.000 0.088 0.000 1.458 52 I HN 0.312 nan 8.210 nan 0.000 0.577 53 K N 4.021 124.460 120.400 0.064 0.000 2.245 53 K HA 0.636 4.955 4.320 -0.001 0.000 0.234 53 K C -0.093 176.527 176.600 0.033 0.000 1.021 53 K CA -1.302 55.009 56.287 0.039 0.000 0.898 53 K CB 1.137 33.653 32.500 0.028 0.000 1.163 53 K HN 0.024 nan 8.250 nan 0.000 0.459 54 K N 0.927 121.340 120.400 0.021 0.000 2.397 54 K HA 0.020 4.339 4.320 -0.001 0.000 0.265 54 K C -1.619 174.987 176.600 0.010 0.000 0.982 54 K CA -1.013 55.284 56.287 0.016 0.000 0.931 54 K CB 0.391 32.897 32.500 0.010 0.000 0.943 54 K HN 0.389 nan 8.250 nan 0.000 0.501 55 P HA -0.149 nan 4.420 nan 0.000 0.215 55 P C -0.159 177.137 177.300 -0.006 0.000 1.157 55 P CA 1.770 64.870 63.100 -0.000 0.000 0.863 55 P CB -0.043 31.658 31.700 0.001 0.000 0.787 56 N N -0.079 118.619 118.700 -0.003 0.000 2.324 56 N HA -0.087 4.652 4.740 -0.001 0.000 0.192 56 N C 0.970 176.477 175.510 -0.004 0.000 1.046 56 N CA -0.094 52.953 53.050 -0.005 0.000 0.898 56 N CB -1.581 36.904 38.487 -0.004 0.000 1.079 56 N HN 0.004 nan 8.380 nan 0.000 0.456 57 N N 0.899 119.598 118.700 -0.002 0.000 2.239 57 N HA -0.108 4.631 4.740 -0.001 0.000 0.225 57 N C -0.164 175.345 175.510 -0.002 0.000 1.283 57 N CA 0.377 53.426 53.050 -0.002 0.000 0.868 57 N CB 0.209 38.696 38.487 -0.000 0.000 1.098 57 N HN 0.465 nan 8.380 nan 0.000 0.436 58 N N 0.474 119.172 118.700 -0.003 0.000 2.238 58 N HA 0.022 4.761 4.740 -0.001 0.000 0.222 58 N C -0.577 174.933 175.510 -0.001 0.000 1.133 58 N CA -0.200 52.849 53.050 -0.002 0.000 0.854 58 N CB 0.247 38.731 38.487 -0.005 0.000 1.041 58 N HN 0.482 nan 8.380 nan 0.000 0.510 59 K N 2.164 122.564 120.400 0.000 0.000 2.276 59 K HA 0.206 4.525 4.320 -0.001 0.000 0.283 59 K C 0.345 176.948 176.600 0.005 0.000 1.044 59 K CA -0.544 55.742 56.287 -0.001 0.000 0.944 59 K CB 1.002 33.501 32.500 -0.003 0.000 1.012 59 K HN 0.233 nan 8.250 nan 0.000 0.472 60 I N 4.499 125.071 120.570 0.002 0.000 2.311 60 I HA 0.047 4.216 4.170 -0.001 0.000 0.297 60 I C 0.823 176.944 176.117 0.006 0.000 1.131 60 I CA -0.476 60.829 61.300 0.009 0.000 1.289 60 I CB 0.415 38.418 38.000 0.005 0.000 1.446 60 I HN 0.626 nan 8.210 nan 0.000 0.524 61 L N 7.606 128.837 121.223 0.015 0.000 2.376 61 L HA 0.255 4.594 4.340 -0.001 0.000 0.219 61 L C 0.087 176.966 176.870 0.015 0.000 1.133 61 L CA 1.260 56.108 54.840 0.013 0.000 0.816 61 L CB 0.041 42.114 42.059 0.022 0.000 0.933 61 L HN 0.517 nan 8.230 nan 0.000 0.449 62 V N 1.148 121.076 119.914 0.023 0.000 2.817 62 V HA 0.476 4.595 4.120 -0.001 0.000 0.303 62 V C -2.585 173.524 176.094 0.025 0.000 1.151 62 V CA -0.915 61.401 62.300 0.026 0.000 0.929 62 V CB 2.193 34.046 31.823 0.049 0.000 1.030 62 V HN 0.059 nan 8.190 nan 0.000 0.427 63 P HA 0.376 nan 4.420 nan 0.000 0.287 63 P C -1.071 176.245 177.300 0.026 0.000 1.279 63 P CA -0.892 62.212 63.100 0.007 0.000 0.867 63 P CB 1.704 33.387 31.700 -0.028 0.000 1.127 64 K N 0.971 121.391 120.400 0.034 0.000 2.447 64 K HA 0.243 4.562 4.320 -0.001 0.000 0.281 64 K C -0.796 175.827 176.600 0.039 0.000 1.031 64 K CA 0.225 56.544 56.287 0.054 0.000 1.019 64 K CB -0.093 32.446 32.500 0.064 0.000 0.918 64 K HN 0.241 nan 8.250 nan 0.000 0.476 65 V N 3.341 123.285 119.914 0.049 0.000 2.595 65 V HA 0.103 4.222 4.120 -0.001 0.000 0.269 65 V C -0.594 175.545 176.094 0.076 0.000 0.982 65 V CA -0.871 61.443 62.300 0.023 0.000 0.873 65 V CB 1.004 32.809 31.823 -0.030 0.000 1.051 65 V HN 0.783 nan 8.190 nan 0.000 0.466 66 S N 2.785 118.562 115.700 0.130 0.000 2.568 66 S HA 0.707 5.176 4.470 -0.001 0.000 0.302 66 S C 0.906 175.658 174.600 0.253 0.000 1.082 66 S CA 0.155 58.535 58.200 0.300 0.000 1.009 66 S CB 2.066 65.340 63.200 0.124 0.000 1.069 66 S HN 1.071 nan 8.310 nan 0.000 0.500 67 G N 1.663 110.737 108.800 0.457 0.000 3.325 67 G HA2 0.378 4.337 3.960 -0.001 0.000 0.242 67 G HA3 0.378 4.337 3.960 -0.001 0.000 0.242 67 G C -0.028 174.938 174.900 0.111 0.000 1.120 67 G CA -0.070 45.179 45.100 0.248 0.000 1.778 67 G HN 0.678 nan 8.290 nan 0.000 0.610 68 L N -0.648 120.621 121.223 0.076 0.000 3.431 68 L HA 0.286 4.625 4.340 -0.001 0.000 0.316 68 L C 0.394 177.265 176.870 0.001 0.000 1.305 68 L CA -0.061 54.779 54.840 0.001 0.000 0.995 68 L CB 0.460 42.505 42.059 -0.023 0.000 1.411 68 L HN 0.162 nan 8.230 nan 0.000 0.610 69 Q N -0.474 119.351 119.800 0.041 0.000 2.306 69 Q HA 0.453 4.792 4.340 -0.001 0.000 0.265 69 Q C -1.406 174.665 176.000 0.118 0.000 1.022 69 Q CA -0.905 54.955 55.803 0.095 0.000 0.853 69 Q CB 2.430 31.225 28.738 0.094 0.000 1.327 69 Q HN 0.003 nan 8.270 nan 0.000 0.449 70 Y N 1.179 121.500 120.300 0.034 0.000 2.350 70 Y HA 0.166 4.716 4.550 -0.001 0.000 0.340 70 Y C 0.323 176.249 175.900 0.044 0.000 1.006 70 Y CA -0.421 57.707 58.100 0.046 0.000 1.166 70 Y CB 0.776 39.248 38.460 0.020 0.000 1.168 70 Y HN 0.211 nan 8.280 nan 0.000 0.502 71 R N 3.452 124.061 120.500 0.182 0.000 2.291 71 R HA 0.210 4.549 4.340 -0.001 0.000 0.333 71 R C -1.128 175.193 176.300 0.035 0.000 1.082 71 R CA -0.291 55.836 56.100 0.045 0.000 0.948 71 R CB 0.210 30.505 30.300 -0.009 0.000 1.009 71 R HN 0.373 nan 8.270 nan 0.000 0.460 72 V N 6.461 126.359 119.914 -0.026 0.000 2.304 72 V HA 0.232 4.351 4.120 -0.001 0.000 0.269 72 V C 0.013 176.094 176.094 -0.022 0.000 1.036 72 V CA -0.581 61.743 62.300 0.041 0.000 0.840 72 V CB 0.065 31.936 31.823 0.080 0.000 1.036 72 V HN 0.390 nan 8.190 nan 0.000 0.466 73 F N 3.412 123.348 119.950 -0.022 0.000 2.418 73 F HA 0.553 5.079 4.527 -0.002 0.000 0.341 73 F C 0.716 176.593 175.800 0.129 0.000 1.120 73 F CA -0.652 57.344 58.000 -0.007 0.000 1.232 73 F CB 0.596 39.500 39.000 -0.160 0.000 1.175 73 F HN 0.334 nan 8.300 nan 0.000 0.569 74 R N 2.863 123.534 120.500 0.285 0.000 2.388 74 R HA 0.589 4.928 4.340 -0.001 0.000 0.314 74 R C -1.702 174.523 176.300 -0.125 0.000 0.959 74 R CA -0.651 55.589 56.100 0.234 0.000 0.851 74 R CB 0.451 30.924 30.300 0.287 0.000 1.168 74 R HN 0.567 nan 8.270 nan 0.000 0.472 75 I N 4.586 125.032 120.570 -0.207 0.000 2.342 75 I HA 0.215 4.385 4.170 -0.001 0.000 0.291 75 I C 0.022 175.858 176.117 -0.468 0.000 1.010 75 I CA -0.311 60.802 61.300 -0.313 0.000 1.308 75 I CB 0.986 38.798 38.000 -0.312 0.000 1.400 75 I HN 0.449 nan 8.210 nan 0.000 0.488 76 H N 7.159 126.150 119.070 -0.131 0.000 2.488 76 H HA 0.523 5.078 4.556 -0.001 0.000 0.322 76 H C -0.559 174.611 175.328 -0.262 0.000 1.078 76 H CA -0.443 55.509 56.048 -0.160 0.000 1.260 76 H CB 1.427 31.135 29.762 -0.090 0.000 1.425 76 H HN 0.357 nan 8.280 nan 0.000 0.471 77 L N 5.601 126.689 121.223 -0.225 0.000 2.346 77 L HA 0.313 4.652 4.340 -0.001 0.000 0.276 77 L C -2.184 174.397 176.870 -0.483 0.000 1.006 77 L CA -2.088 52.442 54.840 -0.517 0.000 0.817 77 L CB 2.524 44.218 42.059 -0.608 0.000 1.272 77 L HN 0.348 nan 8.230 nan 0.000 0.421 78 P HA -0.052 nan 4.420 nan 0.000 0.265 78 P C -0.787 176.434 177.300 -0.131 0.000 1.193 78 P CA -0.099 62.722 63.100 -0.466 0.000 0.765 78 P CB 0.657 31.897 31.700 -0.766 0.000 0.823 79 D N 5.039 125.455 120.400 0.025 0.000 2.434 79 D HA 0.009 4.648 4.640 -0.001 0.000 0.252 79 D C -1.094 175.354 176.300 0.245 0.000 1.185 79 D CA -1.568 52.523 54.000 0.152 0.000 0.886 79 D CB 0.535 41.416 40.800 0.134 0.000 1.148 79 D HN 0.215 nan 8.370 nan 0.000 0.483 80 P HA -0.093 nan 4.420 nan 0.000 0.220 80 P C 0.607 178.116 177.300 0.347 0.000 1.152 80 P CA 0.596 63.880 63.100 0.307 0.000 0.812 80 P CB 0.244 31.820 31.700 -0.206 0.000 0.792 81 N N 0.279 119.107 118.700 0.213 0.000 2.585 81 N HA -0.112 4.627 4.740 -0.001 0.000 0.188 81 N C 1.001 176.648 175.510 0.229 0.000 1.102 81 N CA 1.060 54.227 53.050 0.195 0.000 0.920 81 N CB -0.052 38.574 38.487 0.232 0.000 0.963 81 N HN 0.354 nan 8.380 nan 0.000 0.447 82 K N -1.317 119.228 120.400 0.241 0.000 2.588 82 K HA 0.112 4.432 4.320 -0.001 0.000 0.216 82 K C -0.210 176.473 176.600 0.138 0.000 1.382 82 K CA -0.469 55.925 56.287 0.178 0.000 1.008 82 K CB 0.568 33.143 32.500 0.125 0.000 1.138 82 K HN -0.092 nan 8.250 nan 0.000 0.619 83 F N 2.248 122.210 119.950 0.020 0.000 2.629 83 F HA 0.132 4.658 4.527 -0.001 0.000 0.369 83 F C 1.094 176.744 175.800 -0.251 0.000 1.125 83 F CA -0.094 57.769 58.000 -0.229 0.000 1.330 83 F CB 0.534 39.249 39.000 -0.474 0.000 1.071 83 F HN 0.103 nan 8.300 nan 0.000 0.595 84 G N 6.813 114.833 108.800 -1.300 0.000 2.852 84 G HA2 0.177 4.136 3.960 -0.001 0.000 0.280 84 G HA3 0.177 4.136 3.960 -0.001 0.000 0.280 84 G C -0.746 173.528 174.900 -1.044 0.000 0.731 84 G CA -0.458 44.070 45.100 -0.953 0.000 2.037 84 G HN 0.454 nan 8.290 nan 0.000 0.560 85 F N 2.045 121.803 119.950 -0.321 0.000 2.427 85 F HA 0.261 4.787 4.527 -0.001 0.000 0.352 85 F C -0.575 175.272 175.800 0.078 0.000 1.100 85 F CA -2.205 55.816 58.000 0.034 0.000 1.191 85 F CB 1.673 40.889 39.000 0.361 0.000 1.128 85 F HN 0.254 nan 8.300 nan 0.000 0.533 86 P HA -0.074 nan 4.420 nan 0.000 0.236 86 P C -0.692 176.734 177.300 0.210 0.000 1.172 86 P CA 1.017 64.240 63.100 0.206 0.000 0.759 86 P CB 0.001 31.825 31.700 0.207 0.000 0.843 87 D N -1.948 118.623 120.400 0.285 0.000 2.685 87 D HA 0.249 4.888 4.640 -0.001 0.000 0.236 87 D C -0.384 175.941 176.300 0.042 0.000 1.233 87 D CA -0.384 53.716 54.000 0.167 0.000 0.760 87 D CB 0.599 41.551 40.800 0.254 0.000 1.410 87 D HN -0.160 nan 8.370 nan 0.000 0.439 88 T N -1.351 113.006 114.554 -0.329 0.000 3.567 88 T HA 0.188 4.537 4.350 -0.001 0.000 0.314 88 T C 1.022 175.206 174.700 -0.859 0.000 0.942 88 T CA 0.401 62.077 62.100 -0.706 0.000 0.997 88 T CB -0.540 68.198 68.868 -0.217 0.000 1.205 88 T HN 0.273 nan 8.240 nan 0.000 0.518 89 S N 1.334 116.612 115.700 -0.703 0.000 2.470 89 S HA 0.031 4.500 4.470 -0.001 0.000 0.225 89 S C 1.678 176.051 174.600 -0.378 0.000 1.006 89 S CA 0.162 58.109 58.200 -0.422 0.000 0.934 89 S CB -1.077 62.009 63.200 -0.191 0.000 0.778 89 S HN 0.585 nan 8.310 nan 0.000 0.517 90 F N 1.713 121.669 119.950 0.011 0.000 2.546 90 F HA 0.289 4.815 4.527 -0.001 0.000 0.298 90 F C 0.638 176.478 175.800 0.066 0.000 1.120 90 F CA -1.287 56.720 58.000 0.012 0.000 1.456 90 F CB -1.498 37.487 39.000 -0.024 0.000 1.088 90 F HN 0.447 nan 8.300 nan 0.000 0.572 91 Y N -0.303 119.891 120.300 -0.177 0.000 2.588 91 Y HA 0.560 5.109 4.550 -0.001 0.000 0.343 91 Y C -1.370 174.452 175.900 -0.130 0.000 1.065 91 Y CA -2.329 55.759 58.100 -0.021 0.000 1.038 91 Y CB 0.954 39.512 38.460 0.162 0.000 1.297 91 Y HN -0.117 nan 8.280 nan 0.000 0.467 92 N N 4.456 122.947 118.700 -0.348 0.000 2.527 92 N HA 0.408 5.147 4.740 -0.001 0.000 0.236 92 N C -2.156 173.066 175.510 -0.480 0.000 0.999 92 N CA -2.619 50.157 53.050 -0.457 0.000 0.935 92 N CB 1.288 39.660 38.487 -0.190 0.000 1.132 92 N HN 0.428 nan 8.380 nan 0.000 0.511 93 P HA -0.132 nan 4.420 nan 0.000 0.229 93 P C -0.354 176.882 177.300 -0.107 0.000 1.147 93 P CA 1.187 64.090 63.100 -0.329 0.000 0.766 93 P CB 0.394 31.920 31.700 -0.291 0.000 0.775 94 D N -1.926 118.402 120.400 -0.120 0.000 2.514 94 D HA 0.009 4.648 4.640 -0.001 0.000 0.249 94 D C 1.662 177.930 176.300 -0.053 0.000 1.036 94 D CA 1.299 55.256 54.000 -0.073 0.000 0.911 94 D CB 0.131 40.885 40.800 -0.078 0.000 1.145 94 D HN 0.244 nan 8.370 nan 0.000 0.495 95 T N -1.086 113.438 114.554 -0.051 0.000 2.999 95 T HA 0.061 4.410 4.350 -0.001 0.000 0.247 95 T C 1.007 175.684 174.700 -0.038 0.000 1.012 95 T CA -0.223 61.855 62.100 -0.038 0.000 1.048 95 T CB 0.364 69.216 68.868 -0.027 0.000 1.020 95 T HN 0.073 nan 8.240 nan 0.000 0.478 96 Q N 1.415 121.215 119.800 -0.000 0.000 2.322 96 Q HA 0.559 4.898 4.340 -0.001 0.000 0.265 96 Q C -0.963 175.077 176.000 0.067 0.000 0.985 96 Q CA -1.020 54.801 55.803 0.030 0.000 0.849 96 Q CB 1.864 30.678 28.738 0.126 0.000 1.274 96 Q HN 0.126 nan 8.270 nan 0.000 0.449 97 R N 2.730 123.114 120.500 -0.192 0.000 2.668 97 R HA 0.546 4.885 4.340 -0.001 0.000 0.279 97 R C -0.233 175.940 176.300 -0.211 0.000 0.976 97 R CA -0.850 55.072 56.100 -0.297 0.000 0.978 97 R CB 1.280 31.036 30.300 -0.906 0.000 1.133 97 R HN 0.633 nan 8.270 nan 0.000 0.484 98 L N 1.319 122.417 121.223 -0.208 0.000 2.357 98 L HA 0.544 4.884 4.340 -0.001 0.000 0.273 98 L C -0.079 176.845 176.870 0.091 0.000 1.080 98 L CA -0.948 53.777 54.840 -0.192 0.000 0.803 98 L CB 1.164 42.969 42.059 -0.423 0.000 1.174 98 L HN 0.150 nan 8.230 nan 0.000 0.443 99 V N 0.235 120.150 119.914 0.002 0.000 2.789 99 V HA 0.367 4.486 4.120 -0.001 0.000 0.311 99 V C -0.734 175.291 176.094 -0.115 0.000 1.073 99 V CA -0.670 61.681 62.300 0.086 0.000 0.921 99 V CB 2.078 33.969 31.823 0.115 0.000 1.009 99 V HN 0.632 nan 8.190 nan 0.000 0.426 100 W N 1.972 123.262 121.300 -0.018 0.000 2.213 100 W HA 0.703 5.362 4.660 -0.001 0.000 0.356 100 W C 0.217 176.738 176.519 0.002 0.000 1.273 100 W CA 0.001 57.337 57.345 -0.015 0.000 1.391 100 W CB 1.325 30.730 29.460 -0.092 0.000 1.187 100 W HN 0.705 nan 8.180 nan 0.000 0.649 101 A N 1.300 124.433 122.820 0.522 0.000 2.517 101 A HA 0.524 4.844 4.320 -0.001 0.000 0.297 101 A C -1.722 176.070 177.584 0.347 0.000 1.050 101 A CA -0.671 51.521 52.037 0.259 0.000 0.694 101 A CB 0.761 19.827 19.000 0.110 0.000 1.277 101 A HN 0.619 nan 8.150 nan 0.000 0.400 102 C N 2.268 121.653 119.300 0.143 0.000 2.358 102 C HA 0.720 5.179 4.460 -0.001 0.000 0.342 102 C C 1.464 176.337 174.990 -0.195 0.000 1.234 102 C CA 0.524 59.496 59.018 -0.076 0.000 1.969 102 C CB 0.700 28.394 27.740 -0.076 0.000 2.346 102 C HN 1.401 nan 8.230 nan 0.000 0.525 103 V N 2.545 122.289 119.914 -0.284 0.000 3.245 103 V HA 0.486 4.605 4.120 -0.001 0.000 0.246 103 V C 0.712 176.667 176.094 -0.232 0.000 1.487 103 V CA 0.722 62.867 62.300 -0.258 0.000 1.154 103 V CB -0.652 30.995 31.823 -0.293 0.000 0.971 103 V HN 0.908 nan 8.190 nan 0.000 0.443 104 G N 0.511 109.083 108.800 -0.380 0.000 2.416 104 G HA2 0.638 4.598 3.960 -0.001 0.000 0.324 104 G HA3 0.638 4.598 3.960 -0.001 0.000 0.324 104 G C -1.447 173.142 174.900 -0.519 0.000 1.194 104 G CA -0.502 44.428 45.100 -0.284 0.000 0.922 104 G HN 0.391 nan 8.290 nan 0.000 0.467 105 V N 1.772 121.327 119.914 -0.598 0.000 2.733 105 V HA 0.526 4.645 4.120 -0.001 0.000 0.306 105 V C -0.753 174.882 176.094 -0.765 0.000 1.084 105 V CA -0.760 61.123 62.300 -0.694 0.000 0.905 105 V CB 2.089 33.658 31.823 -0.423 0.000 1.010 105 V HN 0.877 nan 8.190 nan 0.000 0.424 106 E N 3.428 123.156 120.200 -0.786 0.000 2.265 106 E HA 0.552 4.901 4.350 -0.001 0.000 0.262 106 E C -1.806 174.488 176.600 -0.510 0.000 0.889 106 E CA -0.471 55.438 56.400 -0.820 0.000 0.789 106 E CB 2.267 31.570 29.700 -0.661 0.000 1.221 106 E HN 0.442 nan 8.360 nan 0.000 0.414 107 V N 4.242 123.999 119.914 -0.263 0.000 2.304 107 V HA 0.346 4.465 4.120 -0.001 0.000 0.262 107 V C 0.713 176.801 176.094 -0.010 0.000 1.061 107 V CA -0.331 61.956 62.300 -0.023 0.000 0.872 107 V CB 0.918 32.917 31.823 0.294 0.000 1.077 107 V HN 0.742 nan 8.190 nan 0.000 0.480 108 G N 5.784 114.525 108.800 -0.097 0.000 2.334 108 G HA2 0.287 4.246 3.960 -0.001 0.000 0.261 108 G HA3 0.287 4.246 3.960 -0.001 0.000 0.261 108 G C 0.063 174.898 174.900 -0.108 0.000 1.257 108 G CA -0.438 44.611 45.100 -0.085 0.000 0.935 108 G HN 0.501 nan 8.290 nan 0.000 0.480 109 R N 2.098 122.534 120.500 -0.106 0.000 2.338 109 R HA 0.415 4.754 4.340 -0.001 0.000 0.317 109 R C 0.419 176.641 176.300 -0.130 0.000 0.968 109 R CA -0.637 55.334 56.100 -0.214 0.000 0.849 109 R CB 2.057 32.216 30.300 -0.236 0.000 1.128 109 R HN 0.535 nan 8.270 nan 0.000 0.448 110 G N 2.593 111.308 108.800 -0.142 0.000 4.644 110 G HA2 0.139 4.098 3.960 -0.001 0.000 0.307 110 G HA3 0.139 4.098 3.960 -0.001 0.000 0.307 110 G C -0.233 174.632 174.900 -0.058 0.000 1.331 110 G CA -0.184 44.871 45.100 -0.074 0.000 1.059 110 G HN 0.243 nan 8.290 nan 0.000 0.590 111 Q N 1.306 121.068 119.800 -0.062 0.000 2.347 111 Q HA 0.345 4.684 4.340 -0.001 0.000 0.271 111 Q C -2.638 173.355 176.000 -0.012 0.000 1.064 111 Q CA -1.838 53.947 55.803 -0.030 0.000 0.800 111 Q CB 3.164 31.881 28.738 -0.034 0.000 1.304 111 Q HN 0.228 nan 8.270 nan 0.000 0.438 112 P HA -0.050 nan 4.420 nan 0.000 0.264 112 P C -0.467 176.841 177.300 0.014 0.000 1.179 112 P CA -0.219 62.885 63.100 0.008 0.000 0.763 112 P CB 0.735 32.441 31.700 0.010 0.000 0.806 113 L N 2.950 124.182 121.223 0.014 0.000 2.410 113 L HA 0.493 4.833 4.340 -0.001 0.000 0.273 113 L C 1.255 178.135 176.870 0.017 0.000 1.144 113 L CA 1.366 56.218 54.840 0.020 0.000 0.863 113 L CB 0.215 42.288 42.059 0.022 0.000 1.140 113 L HN 0.749 nan 8.230 nan 0.000 0.463 114 G N 2.071 110.882 108.800 0.018 0.000 2.706 114 G HA2 0.682 4.641 3.960 -0.001 0.000 0.307 114 G HA3 0.682 4.641 3.960 -0.001 0.000 0.307 114 G C -1.611 173.291 174.900 0.002 0.000 1.307 114 G CA -0.030 45.075 45.100 0.008 0.000 0.790 114 G HN 0.609 nan 8.290 nan 0.000 0.503 115 V N -2.334 117.573 119.914 -0.012 0.000 2.789 115 V HA 0.966 5.085 4.120 -0.001 0.000 0.311 115 V C 0.239 176.302 176.094 -0.051 0.000 1.073 115 V CA -0.171 62.118 62.300 -0.019 0.000 0.921 115 V CB 1.435 33.255 31.823 -0.005 0.000 1.009 115 V HN 1.546 nan 8.190 nan 0.000 0.426 116 G N 2.407 111.168 108.800 -0.065 0.000 2.417 116 G HA2 0.744 4.704 3.960 -0.001 0.000 0.334 116 G HA3 0.744 4.704 3.960 -0.001 0.000 0.334 116 G C -1.226 173.618 174.900 -0.093 0.000 1.150 116 G CA -0.818 44.217 45.100 -0.109 0.000 0.923 116 G HN 1.091 nan 8.290 nan 0.000 0.485 117 I N 0.623 121.133 120.570 -0.101 0.000 2.509 117 I HA 0.617 4.786 4.170 -0.001 0.000 0.293 117 I C -0.426 175.663 176.117 -0.047 0.000 1.020 117 I CA -0.497 60.751 61.300 -0.088 0.000 1.088 117 I CB 2.001 39.979 38.000 -0.036 0.000 1.267 117 I HN 0.462 nan 8.210 nan 0.000 0.430 118 S N 3.897 119.524 115.700 -0.121 0.000 2.634 118 S HA 0.991 5.460 4.470 -0.001 0.000 0.296 118 S C -0.288 174.412 174.600 0.167 0.000 1.104 118 S CA -0.550 57.746 58.200 0.160 0.000 0.920 118 S CB 1.985 65.209 63.200 0.041 0.000 1.111 118 S HN 0.963 nan 8.310 nan 0.000 0.493 119 G N 0.236 109.233 108.800 0.329 0.000 2.554 119 G HA2 0.546 4.505 3.960 -0.001 0.000 0.306 119 G HA3 0.546 4.505 3.960 -0.001 0.000 0.306 119 G C -2.252 172.759 174.900 0.186 0.000 1.320 119 G CA -0.428 44.777 45.100 0.175 0.000 0.800 119 G HN 0.658 nan 8.290 nan 0.000 0.481 120 H N -0.574 118.517 119.070 0.036 0.000 2.974 120 H HA 0.494 5.049 4.556 -0.002 0.000 0.366 120 H C -2.219 173.090 175.328 -0.031 0.000 1.155 120 H CA -1.589 54.456 56.048 -0.004 0.000 1.186 120 H CB 2.734 32.501 29.762 0.008 0.000 1.799 120 H HN 0.134 nan 8.280 nan 0.000 0.541 121 P HA 0.004 nan 4.420 nan 0.000 0.217 121 P C 0.029 177.434 177.300 0.176 0.000 1.151 121 P CA 1.170 64.376 63.100 0.176 0.000 0.828 121 P CB 0.354 32.090 31.700 0.060 0.000 0.788 122 L N -0.934 120.464 121.223 0.292 0.000 2.599 122 L HA 0.323 4.663 4.340 -0.001 0.000 0.241 122 L C -0.421 176.139 176.870 -0.517 0.000 1.207 122 L CA -0.932 53.828 54.840 -0.134 0.000 0.987 122 L CB 0.415 42.437 42.059 -0.062 0.000 1.318 122 L HN -0.106 nan 8.230 nan 0.000 0.458 123 L N 2.083 123.111 121.223 -0.325 0.000 2.319 123 L HA 0.256 4.595 4.340 -0.001 0.000 0.280 123 L C 0.872 177.606 176.870 -0.227 0.000 1.099 123 L CA 0.241 54.902 54.840 -0.297 0.000 0.828 123 L CB 0.766 42.767 42.059 -0.097 0.000 1.150 123 L HN 0.345 nan 8.230 nan 0.000 0.442 124 N N 5.230 123.777 118.700 -0.254 0.000 2.736 124 N HA -0.064 4.676 4.740 -0.001 0.000 0.307 124 N C -0.735 174.716 175.510 -0.098 0.000 1.212 124 N CA 0.297 53.231 53.050 -0.194 0.000 1.158 124 N CB -0.274 38.066 38.487 -0.246 0.000 1.460 124 N HN 0.484 nan 8.380 nan 0.000 0.514 125 K N 3.433 123.786 120.400 -0.079 0.000 2.413 125 K HA 0.106 4.425 4.320 -0.001 0.000 0.257 125 K C 0.458 176.996 176.600 -0.103 0.000 0.946 125 K CA -0.594 55.676 56.287 -0.028 0.000 0.823 125 K CB 1.388 33.706 32.500 -0.303 0.000 1.109 125 K HN 0.182 nan 8.250 nan 0.000 0.427 126 L N 3.620 124.837 121.223 -0.011 0.000 1.982 126 L HA 0.012 4.351 4.340 -0.001 0.000 0.206 126 L C -0.287 176.554 176.870 -0.050 0.000 1.078 126 L CA 2.060 56.883 54.840 -0.029 0.000 0.749 126 L CB -0.045 42.020 42.059 0.009 0.000 0.894 126 L HN 0.924 nan 8.230 nan 0.000 0.436 127 D N -2.889 117.509 120.400 -0.004 0.000 2.653 127 D HA 0.225 4.864 4.640 -0.001 0.000 0.258 127 D C -1.488 174.896 176.300 0.140 0.000 1.252 127 D CA -0.724 53.288 54.000 0.020 0.000 0.777 127 D CB 0.140 40.960 40.800 0.033 0.000 1.339 127 D HN -0.005 nan 8.370 nan 0.000 0.422 128 D N -1.346 119.155 120.400 0.169 0.000 2.382 128 D HA 0.398 5.037 4.640 -0.001 0.000 0.245 128 D C 0.592 176.995 176.300 0.171 0.000 1.120 128 D CA -0.021 54.149 54.000 0.284 0.000 0.890 128 D CB 1.018 41.949 40.800 0.219 0.000 1.201 128 D HN 0.394 nan 8.370 nan 0.000 0.433 129 T N 0.103 114.743 114.554 0.145 0.000 3.043 129 T HA 0.080 4.429 4.350 -0.001 0.000 0.272 129 T C 1.386 176.096 174.700 0.016 0.000 0.990 129 T CA -0.323 61.837 62.100 0.099 0.000 0.897 129 T CB -0.042 68.947 68.868 0.200 0.000 1.111 129 T HN 0.527 nan 8.240 nan 0.000 0.529 130 E N 2.192 122.395 120.200 0.005 0.000 2.171 130 E HA -0.169 4.180 4.350 -0.001 0.000 0.197 130 E C 0.297 176.880 176.600 -0.027 0.000 0.997 130 E CA 0.976 57.356 56.400 -0.034 0.000 0.810 130 E CB 0.150 29.838 29.700 -0.020 0.000 0.738 130 E HN 0.457 nan 8.360 nan 0.000 0.467 131 N N -1.330 117.368 118.700 -0.003 0.000 3.392 131 N HA 0.212 4.951 4.740 -0.001 0.000 0.223 131 N C -1.618 173.893 175.510 0.002 0.000 1.137 131 N CA 0.304 53.350 53.050 -0.007 0.000 0.991 131 N CB 0.951 39.436 38.487 -0.004 0.000 1.602 131 N HN 0.147 nan 8.380 nan 0.000 0.702 132 A N 1.616 124.429 122.820 -0.012 0.000 2.420 132 A HA 0.841 5.161 4.320 -0.001 0.000 0.291 132 A C 0.645 178.227 177.584 -0.004 0.000 1.228 132 A CA 0.308 52.340 52.037 -0.010 0.000 0.933 132 A CB 0.614 19.586 19.000 -0.045 0.000 1.428 132 A HN 1.160 nan 8.150 nan 0.000 0.493 133 S N -2.636 113.066 115.700 0.004 0.000 2.583 133 S HA 0.573 5.042 4.470 -0.001 0.000 0.264 133 S C -0.172 174.442 174.600 0.025 0.000 1.008 133 S CA 0.592 58.799 58.200 0.013 0.000 1.435 133 S CB -0.158 63.052 63.200 0.016 0.000 1.236 133 S HN 2.384 nan 8.310 nan 0.000 0.669 134 A N 0.730 123.569 122.820 0.032 0.000 2.572 134 A HA 0.531 4.851 4.320 -0.001 0.000 0.303 134 A C -1.173 176.475 177.584 0.107 0.000 1.059 134 A CA -0.654 51.422 52.037 0.066 0.000 0.788 134 A CB -0.089 18.948 19.000 0.061 0.000 1.282 134 A HN 0.393 nan 8.150 nan 0.000 0.397 135 Y N 2.007 122.314 120.300 0.012 0.000 2.810 135 Y HA 0.223 4.773 4.550 -0.001 0.000 0.332 135 Y C 1.207 177.110 175.900 0.006 0.000 1.243 135 Y CA 1.317 59.423 58.100 0.010 0.000 1.537 135 Y CB 0.550 39.014 38.460 0.005 0.000 1.265 135 Y HN 1.082 nan 8.280 nan 0.000 0.572 136 A N 4.401 127.424 122.820 0.338 0.000 2.292 136 A HA 0.636 4.955 4.320 -0.001 0.000 0.265 136 A C -0.201 177.464 177.584 0.134 0.000 1.133 136 A CA -0.069 52.072 52.037 0.174 0.000 0.807 136 A CB -0.229 18.850 19.000 0.131 0.000 1.102 136 A HN 0.910 nan 8.150 nan 0.000 0.502 137 A N -0.181 122.680 122.820 0.068 0.000 2.282 137 A HA 0.550 4.869 4.320 -0.001 0.000 0.319 137 A C 0.101 177.696 177.584 0.018 0.000 1.121 137 A CA -0.708 51.348 52.037 0.031 0.000 0.836 137 A CB -0.133 18.876 19.000 0.014 0.000 1.146 137 A HN 0.835 nan 8.150 nan 0.000 0.494 138 N N 0.926 119.625 118.700 -0.002 0.000 2.132 138 N HA 0.156 4.896 4.740 -0.001 0.000 0.280 138 N C 0.356 175.859 175.510 -0.012 0.000 1.318 138 N CA 1.175 54.218 53.050 -0.012 0.000 0.822 138 N CB 0.266 38.740 38.487 -0.022 0.000 1.058 138 N HN 0.803 nan 8.380 nan 0.000 0.489 139 A N 2.840 125.651 122.820 -0.014 0.000 2.526 139 A HA 0.177 4.496 4.320 -0.001 0.000 0.287 139 A C 1.716 179.286 177.584 -0.023 0.000 1.232 139 A CA 0.191 52.215 52.037 -0.021 0.000 0.900 139 A CB -0.817 18.168 19.000 -0.024 0.000 1.077 139 A HN 0.804 nan 8.150 nan 0.000 0.535 140 G N 1.446 110.232 108.800 -0.023 0.000 3.088 140 G HA2 0.053 4.012 3.960 -0.001 0.000 0.219 140 G HA3 0.053 4.012 3.960 -0.001 0.000 0.219 140 G C 0.640 175.525 174.900 -0.025 0.000 1.098 140 G CA 0.885 45.971 45.100 -0.023 0.000 0.694 140 G HN 1.706 nan 8.290 nan 0.000 0.631 141 V N -0.505 119.392 119.914 -0.028 0.000 3.322 141 V HA -0.114 4.005 4.120 -0.001 0.000 0.477 141 V C 0.014 176.088 176.094 -0.034 0.000 0.682 141 V CA 0.397 62.679 62.300 -0.030 0.000 2.020 141 V CB -0.614 31.193 31.823 -0.026 0.000 2.473 141 V HN 0.975 nan 8.190 nan 0.000 0.500 142 D N 3.492 123.868 120.400 -0.039 0.000 4.621 142 D HA -0.139 4.500 4.640 -0.001 0.000 0.241 142 D C 0.249 176.520 176.300 -0.048 0.000 1.065 142 D CA 1.450 55.422 54.000 -0.046 0.000 1.247 142 D CB -0.474 40.302 40.800 -0.041 0.000 0.793 142 D HN 0.822 nan 8.370 nan 0.000 0.391 143 N N 1.451 120.116 118.700 -0.058 0.000 2.166 143 N HA 0.093 4.832 4.740 -0.001 0.000 0.213 143 N C -0.121 175.342 175.510 -0.078 0.000 1.222 143 N CA -0.370 52.644 53.050 -0.060 0.000 0.900 143 N CB 0.404 38.857 38.487 -0.057 0.000 1.055 143 N HN 0.353 nan 8.380 nan 0.000 0.515 144 R N 1.680 122.126 120.500 -0.090 0.000 2.595 144 R HA -0.056 4.283 4.340 -0.001 0.000 0.269 144 R C 0.006 176.243 176.300 -0.106 0.000 0.977 144 R CA 0.806 56.837 56.100 -0.114 0.000 1.093 144 R CB -0.053 30.171 30.300 -0.127 0.000 0.904 144 R HN 0.340 nan 8.270 nan 0.000 0.425 145 E N 0.235 120.362 120.200 -0.121 0.000 2.456 145 E HA 0.280 4.629 4.350 -0.001 0.000 0.278 145 E C -1.369 175.178 176.600 -0.088 0.000 1.034 145 E CA -0.988 55.350 56.400 -0.102 0.000 0.846 145 E CB 1.469 31.096 29.700 -0.122 0.000 1.460 145 E HN 0.475 nan 8.360 nan 0.000 0.463 146 C N 1.805 121.067 119.300 -0.062 0.000 2.271 146 C HA 0.719 5.178 4.460 -0.001 0.000 0.323 146 C C -0.530 174.444 174.990 -0.026 0.000 1.245 146 C CA -0.071 58.933 59.018 -0.023 0.000 1.548 146 C CB -1.724 26.005 27.740 -0.017 0.000 2.214 146 C HN 0.454 nan 8.230 nan 0.000 0.477 147 I N 4.639 125.210 120.570 0.002 0.000 3.093 147 I HA 0.563 4.733 4.170 -0.001 0.000 0.308 147 I C -0.254 175.908 176.117 0.074 0.000 1.303 147 I CA -0.178 61.135 61.300 0.022 0.000 0.975 147 I CB 2.729 40.740 38.000 0.019 0.000 1.286 147 I HN 0.653 nan 8.210 nan 0.000 0.459 148 S N 3.747 119.496 115.700 0.081 0.000 2.671 148 S HA 0.882 5.351 4.470 -0.001 0.000 0.277 148 S C -0.731 173.892 174.600 0.039 0.000 1.165 148 S CA -0.717 57.522 58.200 0.066 0.000 0.822 148 S CB 2.790 66.016 63.200 0.044 0.000 1.150 148 S HN 0.709 nan 8.310 nan 0.000 0.479 149 M N -0.590 118.977 119.600 -0.055 0.000 3.744 149 M HA 0.650 5.129 4.480 -0.001 0.000 0.367 149 M C -2.307 173.870 176.300 -0.204 0.000 1.682 149 M CA -0.640 54.594 55.300 -0.111 0.000 0.802 149 M CB 0.293 32.833 32.600 -0.100 0.000 2.399 149 M HN 0.715 nan 8.290 nan 0.000 0.449 150 D N 0.749 121.019 120.400 -0.218 0.000 2.402 150 D HA 0.413 5.052 4.640 -0.001 0.000 0.252 150 D C -1.271 174.948 176.300 -0.136 0.000 1.294 150 D CA -0.175 53.715 54.000 -0.183 0.000 0.948 150 D CB -0.001 40.747 40.800 -0.086 0.000 1.202 150 D HN 0.568 nan 8.370 nan 0.000 0.561 151 Y N 1.354 121.621 120.300 -0.056 0.000 2.709 151 Y HA -0.097 4.453 4.550 -0.001 0.000 0.348 151 Y C 1.728 177.578 175.900 -0.084 0.000 1.267 151 Y CA -0.455 57.594 58.100 -0.084 0.000 1.486 151 Y CB 0.746 39.184 38.460 -0.037 0.000 1.356 151 Y HN 0.318 nan 8.280 nan 0.000 0.639 152 K N 2.826 123.299 120.400 0.120 0.000 2.513 152 K HA -0.197 4.122 4.320 -0.001 0.000 0.275 152 K C -0.417 176.218 176.600 0.059 0.000 1.025 152 K CA 0.051 56.364 56.287 0.043 0.000 1.125 152 K CB 0.263 32.764 32.500 0.001 0.000 0.843 152 K HN 0.647 nan 8.250 nan 0.000 0.486 153 Q N 2.647 122.482 119.800 0.057 0.000 2.289 153 Q HA 0.039 4.378 4.340 -0.001 0.000 0.273 153 Q C -0.935 175.102 176.000 0.062 0.000 1.029 153 Q CA 0.372 56.213 55.803 0.064 0.000 0.896 153 Q CB 0.743 29.521 28.738 0.066 0.000 1.182 153 Q HN 0.729 nan 8.270 nan 0.000 0.385 154 T N 4.405 118.997 114.554 0.063 0.000 2.890 154 T HA 0.292 4.641 4.350 -0.001 0.000 0.295 154 T C -1.030 173.730 174.700 0.101 0.000 0.993 154 T CA -0.597 61.547 62.100 0.074 0.000 0.979 154 T CB 1.397 70.291 68.868 0.044 0.000 0.967 154 T HN 0.548 nan 8.240 nan 0.000 0.441 155 Q N 3.028 122.915 119.800 0.145 0.000 2.330 155 Q HA 0.741 5.080 4.340 -0.001 0.000 0.269 155 Q C -1.525 174.619 176.000 0.241 0.000 1.022 155 Q CA -0.997 54.953 55.803 0.245 0.000 0.796 155 Q CB 1.104 29.972 28.738 0.216 0.000 1.271 155 Q HN 0.646 nan 8.270 nan 0.000 0.450 156 L N 1.722 123.161 121.223 0.360 0.000 2.612 156 L HA 0.772 5.111 4.340 -0.001 0.000 0.256 156 L C -2.117 174.962 176.870 0.350 0.000 0.949 156 L CA -0.793 54.203 54.840 0.259 0.000 0.867 156 L CB 1.584 43.773 42.059 0.217 0.000 1.417 156 L HN 0.698 nan 8.230 nan 0.000 0.414 157 C N 3.972 123.378 119.300 0.177 0.000 2.609 157 C HA 0.898 5.357 4.460 -0.001 0.000 0.313 157 C C -1.254 173.774 174.990 0.064 0.000 1.175 157 C CA -0.556 58.575 59.018 0.188 0.000 1.434 157 C CB 0.895 28.745 27.740 0.183 0.000 2.005 157 C HN 0.952 nan 8.230 nan 0.000 0.471 158 L N 6.252 127.541 121.223 0.109 0.000 2.385 158 L HA 0.681 5.021 4.340 -0.001 0.000 0.273 158 L C -0.698 176.227 176.870 0.092 0.000 0.990 158 L CA -0.582 54.299 54.840 0.069 0.000 0.821 158 L CB 1.676 43.756 42.059 0.035 0.000 1.279 158 L HN 0.529 nan 8.230 nan 0.000 0.412 159 I N 1.753 122.391 120.570 0.112 0.000 2.433 159 I HA 0.809 4.978 4.170 -0.001 0.000 0.292 159 I C 0.329 176.246 176.117 -0.333 0.000 1.001 159 I CA -0.264 61.106 61.300 0.117 0.000 1.119 159 I CB 2.053 40.298 38.000 0.408 0.000 1.289 159 I HN 0.733 nan 8.210 nan 0.000 0.438 160 G N 2.747 111.378 108.800 -0.282 0.000 2.687 160 G HA2 0.429 4.388 3.960 -0.001 0.000 0.291 160 G HA3 0.429 4.388 3.960 -0.001 0.000 0.291 160 G C -0.270 174.521 174.900 -0.182 0.000 1.420 160 G CA -0.510 44.238 45.100 -0.588 0.000 0.796 160 G HN 0.739 nan 8.290 nan 0.000 0.485 161 C N -0.927 118.314 119.300 -0.098 0.000 2.778 161 C HA 0.627 5.086 4.460 -0.001 0.000 0.294 161 C C 0.181 175.121 174.990 -0.083 0.000 1.331 161 C CA -1.135 57.864 59.018 -0.032 0.000 1.741 161 C CB -1.434 26.366 27.740 0.100 0.000 2.106 161 C HN 0.305 nan 8.230 nan 0.000 0.603 162 K N 1.946 122.371 120.400 0.042 0.000 2.443 162 K HA 0.595 4.914 4.320 -0.001 0.000 0.251 162 K C -3.008 173.850 176.600 0.430 0.000 0.972 162 K CA -1.807 54.570 56.287 0.149 0.000 0.833 162 K CB 1.901 34.429 32.500 0.045 0.000 1.317 162 K HN -0.034 nan 8.250 nan 0.000 0.441 163 P HA 0.127 nan 4.420 nan 0.000 0.271 163 P C -2.476 174.642 177.300 -0.303 0.000 1.216 163 P CA -1.044 61.791 63.100 -0.441 0.000 0.776 163 P CB -0.216 31.167 31.700 -0.529 0.000 0.881 164 P HA 0.199 nan 4.420 nan 0.000 0.268 164 P C -0.087 177.055 177.300 -0.263 0.000 1.205 164 P CA 0.566 63.512 63.100 -0.257 0.000 0.771 164 P CB 0.488 32.046 31.700 -0.238 0.000 0.858 165 I N 2.172 122.601 120.570 -0.236 0.000 2.382 165 I HA 0.361 4.530 4.170 -0.001 0.000 0.286 165 I C 1.057 177.019 176.117 -0.258 0.000 1.002 165 I CA -0.317 60.848 61.300 -0.225 0.000 1.135 165 I CB 1.734 39.627 38.000 -0.178 0.000 1.288 165 I HN 0.368 nan 8.210 nan 0.000 0.448 166 G N 5.124 113.770 108.800 -0.257 0.000 2.568 166 G HA2 0.716 4.675 3.960 -0.001 0.000 0.293 166 G HA3 0.716 4.675 3.960 -0.001 0.000 0.293 166 G C -0.892 173.902 174.900 -0.177 0.000 1.347 166 G CA -0.285 44.658 45.100 -0.263 0.000 1.039 166 G HN 0.691 nan 8.290 nan 0.000 0.523 167 E N -1.675 118.447 120.200 -0.129 0.000 2.433 167 E HA 0.648 4.997 4.350 -0.001 0.000 0.278 167 E C -1.305 175.279 176.600 -0.026 0.000 0.976 167 E CA -1.056 55.260 56.400 -0.140 0.000 0.793 167 E CB 2.381 31.939 29.700 -0.236 0.000 1.311 167 E HN 0.813 nan 8.360 nan 0.000 0.460 168 H N -1.213 117.684 119.070 -0.288 0.000 2.921 168 H HA 0.262 4.817 4.556 -0.001 0.000 0.287 168 H C -1.841 173.295 175.328 -0.319 0.000 1.434 168 H CA -1.197 54.706 56.048 -0.242 0.000 1.178 168 H CB -0.205 29.482 29.762 -0.124 0.000 1.836 168 H HN 0.646 nan 8.280 nan 0.000 0.495 169 W N 0.238 121.449 121.300 -0.148 0.000 2.390 169 W HA 0.660 5.319 4.660 -0.002 0.000 0.362 169 W C 0.633 177.108 176.519 -0.073 0.000 1.206 169 W CA 0.560 57.811 57.345 -0.156 0.000 1.355 169 W CB 1.670 31.104 29.460 -0.043 0.000 1.278 169 W HN 1.021 nan 8.180 nan 0.000 0.653 170 G N 0.174 109.128 108.800 0.256 0.000 2.428 170 G HA2 0.313 4.272 3.960 -0.001 0.000 0.304 170 G HA3 0.313 4.272 3.960 -0.001 0.000 0.304 170 G C -2.124 172.856 174.900 0.133 0.000 1.303 170 G CA -1.124 44.076 45.100 0.166 0.000 0.825 170 G HN 0.299 nan 8.290 nan 0.000 0.484 171 K N -0.003 120.455 120.400 0.096 0.000 2.265 171 K HA 0.601 4.920 4.320 -0.001 0.000 0.267 171 K C -0.246 176.389 176.600 0.057 0.000 0.994 171 K CA -0.491 55.841 56.287 0.074 0.000 0.860 171 K CB 1.225 33.761 32.500 0.060 0.000 1.099 171 K HN 0.775 nan 8.250 nan 0.000 0.448 172 G N 2.568 111.401 108.800 0.056 0.000 3.205 172 G HA2 0.102 4.061 3.960 -0.001 0.000 0.343 172 G HA3 0.102 4.061 3.960 -0.001 0.000 0.343 172 G C -0.470 174.450 174.900 0.034 0.000 1.305 172 G CA -0.411 44.714 45.100 0.041 0.000 1.120 172 G HN 0.632 nan 8.290 nan 0.000 0.472 173 S N 2.713 118.429 115.700 0.028 0.000 3.805 173 S HA -0.073 4.397 4.470 -0.001 0.000 0.456 173 S C -0.878 173.735 174.600 0.021 0.000 1.125 173 S CA -0.291 57.922 58.200 0.022 0.000 0.905 173 S CB 0.225 63.435 63.200 0.017 0.000 0.653 173 S HN 0.583 nan 8.310 nan 0.000 0.483 174 P HA -0.122 nan 4.420 nan 0.000 0.293 174 P C -0.199 177.111 177.300 0.016 0.000 1.870 174 P CA 0.031 63.142 63.100 0.018 0.000 1.629 174 P CB 0.334 32.042 31.700 0.014 0.000 0.569 175 C N -0.752 118.557 119.300 0.014 0.000 2.351 175 C HA 0.274 4.733 4.460 -0.001 0.000 0.326 175 C C 0.237 175.233 174.990 0.010 0.000 1.272 175 C CA -0.149 58.876 59.018 0.012 0.000 1.650 175 C CB 0.501 28.248 27.740 0.012 0.000 2.257 175 C HN 0.453 nan 8.230 nan 0.000 0.505 176 T N 4.492 119.051 114.554 0.009 0.000 3.416 176 T HA 0.247 4.597 4.350 -0.001 0.000 0.247 176 T C -0.361 174.343 174.700 0.007 0.000 0.973 176 T CA 0.532 62.636 62.100 0.008 0.000 1.166 176 T CB -0.732 68.140 68.868 0.007 0.000 1.040 176 T HN 0.784 nan 8.240 nan 0.000 0.746 177 Q N 0.161 119.965 119.800 0.006 0.000 2.686 177 Q HA 0.310 4.649 4.340 -0.001 0.000 0.266 177 Q C -0.929 175.075 176.000 0.005 0.000 0.965 177 Q CA -1.123 54.684 55.803 0.006 0.000 0.894 177 Q CB 1.805 30.546 28.738 0.006 0.000 1.583 177 Q HN 0.248 nan 8.270 nan 0.000 0.405 178 V N 0.470 120.387 119.914 0.005 0.000 5.887 178 V HA -0.281 3.839 4.120 -0.001 0.000 0.167 178 V C 0.558 176.654 176.094 0.004 0.000 0.718 178 V CA 1.328 63.631 62.300 0.004 0.000 0.553 178 V CB -1.501 30.324 31.823 0.004 0.000 0.464 178 V HN 0.878 nan 8.190 nan 0.000 0.392 179 A N 4.744 127.566 122.820 0.004 0.000 3.004 179 A HA 0.528 4.847 4.320 -0.001 0.000 0.252 179 A C 0.808 178.394 177.584 0.004 0.000 1.802 179 A CA 0.330 52.369 52.037 0.004 0.000 1.424 179 A CB -0.828 18.174 19.000 0.004 0.000 1.005 179 A HN 2.188 nan 8.150 nan 0.000 0.631 180 V N -2.700 117.216 119.914 0.003 0.000 3.830 180 V HA -0.221 3.898 4.120 -0.001 0.000 0.545 180 V C 0.079 176.174 176.094 0.001 0.000 0.685 180 V CA 0.821 63.122 62.300 0.002 0.000 2.110 180 V CB -0.511 31.314 31.823 0.003 0.000 2.500 180 V HN 0.890 nan 8.190 nan 0.000 0.521 181 Q N 2.854 122.654 119.800 -0.000 0.000 2.348 181 Q HA 0.422 4.761 4.340 -0.001 0.000 0.265 181 Q C -2.614 173.385 176.000 -0.002 0.000 0.998 181 Q CA -2.291 53.511 55.803 -0.001 0.000 0.831 181 Q CB 1.674 30.411 28.738 -0.002 0.000 1.251 181 Q HN 0.728 nan 8.270 nan 0.000 0.456 182 P HA -0.116 nan 4.420 nan 0.000 0.248 182 P C 0.190 177.487 177.300 -0.005 0.000 1.127 182 P CA 1.804 64.902 63.100 -0.003 0.000 0.801 182 P CB 0.062 31.760 31.700 -0.004 0.000 0.732 183 G N 3.420 112.217 108.800 -0.005 0.000 3.435 183 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.197 183 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.197 183 G C -0.098 174.798 174.900 -0.006 0.000 1.497 183 G CA -0.460 44.635 45.100 -0.007 0.000 1.043 183 G HN 0.470 nan 8.290 nan 0.000 0.466 184 D N 1.813 122.211 120.400 -0.004 0.000 2.950 184 D HA 0.239 4.878 4.640 -0.001 0.000 0.265 184 D C 1.190 177.488 176.300 -0.003 0.000 1.405 184 D CA 0.883 54.882 54.000 -0.003 0.000 0.998 184 D CB -0.287 40.512 40.800 -0.001 0.000 1.154 184 D HN 0.629 nan 8.370 nan 0.000 0.586 185 C N 4.491 123.787 119.300 -0.007 0.000 2.149 185 C HA -0.114 4.345 4.460 -0.001 0.000 0.391 185 C C -1.542 173.447 174.990 -0.002 0.000 1.484 185 C CA -1.238 57.776 59.018 -0.007 0.000 1.517 185 C CB -0.297 27.435 27.740 -0.014 0.000 2.605 185 C HN 0.552 nan 8.230 nan 0.000 0.561 186 P HA 0.148 nan 4.420 nan 0.000 0.264 186 P C -2.439 174.870 177.300 0.014 0.000 1.179 186 P CA -0.132 62.976 63.100 0.014 0.000 0.763 186 P CB -0.105 31.609 31.700 0.023 0.000 0.806 187 P HA 0.129 nan 4.420 nan 0.000 0.282 187 P C -0.344 176.991 177.300 0.059 0.000 1.274 187 P CA 0.002 63.123 63.100 0.034 0.000 0.770 187 P CB 0.345 32.068 31.700 0.038 0.000 0.867 188 L N 3.078 124.336 121.223 0.058 0.000 2.468 188 L HA 0.462 4.801 4.340 -0.001 0.000 0.254 188 L C 0.697 177.717 176.870 0.250 0.000 1.171 188 L CA 0.294 55.223 54.840 0.147 0.000 0.809 188 L CB -0.005 42.071 42.059 0.028 0.000 1.155 188 L HN 0.495 nan 8.230 nan 0.000 0.473 189 E N 1.178 121.623 120.200 0.409 0.000 2.647 189 E HA 0.109 4.458 4.350 -0.001 0.000 0.320 189 E C -1.696 174.898 176.600 -0.011 0.000 0.951 189 E CA -0.730 55.813 56.400 0.239 0.000 0.809 189 E CB 1.544 31.298 29.700 0.089 0.000 1.295 189 E HN 0.297 nan 8.360 nan 0.000 0.407 190 L N 5.971 127.021 121.223 -0.289 0.000 2.513 190 L HA 0.303 4.643 4.340 -0.001 0.000 0.272 190 L C -0.718 175.852 176.870 -0.500 0.000 1.187 190 L CA 0.712 55.077 54.840 -0.791 0.000 0.895 190 L CB 0.069 41.655 42.059 -0.788 0.000 1.147 190 L HN 0.476 nan 8.230 nan 0.000 0.483 191 I N 5.563 125.758 120.570 -0.625 0.000 2.436 191 I HA 0.340 4.509 4.170 -0.001 0.000 0.289 191 I C -0.015 175.915 176.117 -0.312 0.000 1.010 191 I CA -0.700 60.346 61.300 -0.425 0.000 1.098 191 I CB 1.482 39.212 38.000 -0.449 0.000 1.266 191 I HN 0.557 nan 8.210 nan 0.000 0.434 192 N N 3.548 122.147 118.700 -0.169 0.000 2.489 192 N HA 0.568 5.308 4.740 -0.001 0.000 0.284 192 N C -0.359 175.117 175.510 -0.055 0.000 1.158 192 N CA -0.053 52.919 53.050 -0.129 0.000 0.965 192 N CB 2.483 40.895 38.487 -0.124 0.000 1.195 192 N HN 0.710 nan 8.380 nan 0.000 0.506 193 T N -2.631 111.889 114.554 -0.058 0.000 2.749 193 T HA 0.236 4.585 4.350 -0.001 0.000 0.310 193 T C -1.310 173.325 174.700 -0.107 0.000 1.496 193 T CA -0.698 61.381 62.100 -0.034 0.000 1.006 193 T CB 0.412 69.290 68.868 0.018 0.000 1.457 193 T HN 0.021 nan 8.240 nan 0.000 0.497 194 V N 3.119 122.964 119.914 -0.114 0.000 2.488 194 V HA 0.344 4.463 4.120 -0.001 0.000 0.277 194 V C 0.743 176.723 176.094 -0.189 0.000 1.046 194 V CA -0.566 61.603 62.300 -0.218 0.000 0.986 194 V CB 0.465 32.043 31.823 -0.409 0.000 0.989 194 V HN 0.706 nan 8.190 nan 0.000 0.475 195 I N 5.893 126.313 120.570 -0.250 0.000 2.494 195 I HA 0.131 4.300 4.170 -0.001 0.000 0.289 195 I C 0.612 176.648 176.117 -0.135 0.000 1.106 195 I CA 0.314 61.430 61.300 -0.305 0.000 1.369 195 I CB -0.036 37.647 38.000 -0.529 0.000 1.410 195 I HN 0.681 nan 8.210 nan 0.000 0.523 196 Q N 4.645 124.378 119.800 -0.111 0.000 2.215 196 Q HA 0.220 4.559 4.340 -0.001 0.000 0.256 196 Q C -0.245 175.744 176.000 -0.019 0.000 0.972 196 Q CA -0.881 54.898 55.803 -0.039 0.000 0.889 196 Q CB 1.913 30.546 28.738 -0.176 0.000 1.281 196 Q HN 0.525 nan 8.270 nan 0.000 0.456 197 D N -0.463 119.945 120.400 0.014 0.000 2.424 197 D HA 0.080 4.719 4.640 -0.001 0.000 0.244 197 D C 0.618 176.910 176.300 -0.013 0.000 1.134 197 D CA 1.482 55.498 54.000 0.026 0.000 0.881 197 D CB 0.745 41.560 40.800 0.025 0.000 1.191 197 D HN 0.766 nan 8.370 nan 0.000 0.445 198 G N 3.839 112.660 108.800 0.035 0.000 2.254 198 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.225 198 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.225 198 G C 0.176 175.111 174.900 0.058 0.000 1.003 198 G CA 0.192 45.309 45.100 0.028 0.000 0.622 198 G HN 0.658 nan 8.290 nan 0.000 0.507 199 D N 1.530 121.969 120.400 0.065 0.000 2.361 199 D HA 0.367 5.006 4.640 -0.001 0.000 0.239 199 D C 0.861 177.292 176.300 0.218 0.000 1.200 199 D CA 0.228 54.273 54.000 0.076 0.000 0.915 199 D CB 0.360 41.131 40.800 -0.048 0.000 1.170 199 D HN 0.051 nan 8.370 nan 0.000 0.444 200 M N 1.667 121.359 119.600 0.152 0.000 2.077 200 M HA 0.136 4.615 4.480 -0.001 0.000 0.348 200 M C 0.196 176.622 176.300 0.209 0.000 1.252 200 M CA -0.762 54.623 55.300 0.142 0.000 1.096 200 M CB 0.681 33.329 32.600 0.080 0.000 1.568 200 M HN 0.169 nan 8.290 nan 0.000 0.456 201 V N 0.333 120.320 119.914 0.123 0.000 3.672 201 V HA 0.033 4.152 4.120 -0.001 0.000 0.301 201 V C 0.474 176.587 176.094 0.032 0.000 1.123 201 V CA -0.502 61.798 62.300 0.001 0.000 1.210 201 V CB 0.065 31.767 31.823 -0.200 0.000 1.089 201 V HN 0.793 nan 8.190 nan 0.000 0.491 202 D N 0.356 120.779 120.400 0.038 0.000 2.341 202 D HA 0.358 4.997 4.640 -0.001 0.000 0.245 202 D C 0.906 177.154 176.300 -0.086 0.000 1.106 202 D CA 0.368 54.374 54.000 0.010 0.000 0.905 202 D CB 1.596 42.372 40.800 -0.040 0.000 1.202 202 D HN 0.984 nan 8.370 nan 0.000 0.426 203 T N -0.551 113.933 114.554 -0.117 0.000 3.043 203 T HA 0.413 4.762 4.350 -0.001 0.000 0.272 203 T C 1.157 175.800 174.700 -0.095 0.000 0.990 203 T CA 0.406 62.323 62.100 -0.306 0.000 0.897 203 T CB 0.380 68.634 68.868 -1.023 0.000 1.111 203 T HN 0.641 nan 8.240 nan 0.000 0.529 204 G N 0.777 109.545 108.800 -0.053 0.000 2.227 204 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.168 204 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.168 204 G C 0.208 175.096 174.900 -0.019 0.000 1.006 204 G CA -0.325 44.723 45.100 -0.087 0.000 0.684 204 G HN 0.484 nan 8.290 nan 0.000 0.489 205 F N 1.902 121.972 119.950 0.200 0.000 2.684 205 F HA 0.465 4.991 4.527 -0.002 0.000 0.298 205 F C 1.498 177.459 175.800 0.268 0.000 1.120 205 F CA 0.464 58.610 58.000 0.243 0.000 1.332 205 F CB 0.915 40.077 39.000 0.271 0.000 0.986 205 F HN 0.644 nan 8.300 nan 0.000 0.524 206 G N 0.919 109.914 108.800 0.325 0.000 2.603 206 G HA2 0.192 4.151 3.960 -0.001 0.000 0.686 206 G HA3 0.192 4.151 3.960 -0.001 0.000 0.686 206 G C -1.454 173.569 174.900 0.206 0.000 1.286 206 G CA -0.682 44.566 45.100 0.248 0.000 0.871 206 G HN 0.442 nan 8.290 nan 0.000 0.568 207 A N 0.206 123.156 122.820 0.216 0.000 2.330 207 A HA 1.121 5.440 4.320 -0.001 0.000 0.327 207 A C 0.205 177.931 177.584 0.238 0.000 1.155 207 A CA 0.709 52.845 52.037 0.165 0.000 0.803 207 A CB 1.054 20.149 19.000 0.158 0.000 1.208 207 A HN 2.550 nan 8.150 nan 0.000 0.477 208 M N 0.369 120.005 119.600 0.061 0.000 3.444 208 M HA 0.364 4.843 4.480 -0.001 0.000 0.311 208 M C -2.340 173.870 176.300 -0.149 0.000 1.139 208 M CA -0.738 54.642 55.300 0.134 0.000 0.881 208 M CB 1.112 33.807 32.600 0.158 0.000 1.791 208 M HN 0.421 nan 8.290 nan 0.000 0.548 209 D N 1.014 121.424 120.400 0.015 0.000 2.454 209 D HA 0.477 5.116 4.640 -0.001 0.000 0.225 209 D C 0.014 176.325 176.300 0.020 0.000 1.081 209 D CA -0.260 53.704 54.000 -0.059 0.000 0.864 209 D CB 0.241 41.096 40.800 0.092 0.000 1.040 209 D HN 0.572 nan 8.370 nan 0.000 0.517 210 F N 0.863 120.860 119.950 0.078 0.000 2.216 210 F HA -0.142 4.384 4.527 -0.001 0.000 0.300 210 F C 2.395 178.218 175.800 0.039 0.000 1.085 210 F CA 0.588 58.620 58.000 0.054 0.000 1.326 210 F CB 0.111 39.144 39.000 0.055 0.000 1.027 210 F HN 0.269 nan 8.300 nan 0.000 0.497 211 T N -1.247 113.427 114.554 0.199 0.000 3.007 211 T HA -0.127 4.222 4.350 -0.001 0.000 0.270 211 T C 1.869 176.627 174.700 0.097 0.000 1.107 211 T CA 1.766 63.943 62.100 0.128 0.000 1.118 211 T CB -0.339 68.582 68.868 0.090 0.000 0.889 211 T HN 0.457 nan 8.240 nan 0.000 0.506 212 T N -2.046 112.570 114.554 0.104 0.000 2.969 212 T HA 0.280 4.629 4.350 -0.001 0.000 0.258 212 T C 1.593 176.341 174.700 0.081 0.000 0.962 212 T CA -0.354 61.794 62.100 0.079 0.000 0.903 212 T CB -0.049 68.863 68.868 0.073 0.000 1.177 212 T HN 0.090 nan 8.240 nan 0.000 0.511 213 L N 0.751 122.039 121.223 0.109 0.000 2.307 213 L HA 0.363 4.702 4.340 -0.001 0.000 0.211 213 L C 0.735 177.645 176.870 0.067 0.000 1.099 213 L CA 1.177 56.074 54.840 0.095 0.000 0.816 213 L CB -0.617 41.523 42.059 0.135 0.000 0.952 213 L HN 0.490 nan 8.230 nan 0.000 0.455 214 Q N -0.813 119.035 119.800 0.080 0.000 2.523 214 Q HA 0.348 4.687 4.340 -0.001 0.000 0.251 214 Q C 0.749 176.761 176.000 0.019 0.000 1.033 214 Q CA -0.107 55.710 55.803 0.024 0.000 0.746 214 Q CB 1.720 30.467 28.738 0.015 0.000 1.189 214 Q HN 0.104 nan 8.270 nan 0.000 0.508 215 A N 2.545 125.367 122.820 0.004 0.000 2.015 215 A HA -0.194 4.125 4.320 -0.001 0.000 0.219 215 A C 1.804 179.379 177.584 -0.015 0.000 1.163 215 A CA 1.369 53.406 52.037 0.001 0.000 0.646 215 A CB -0.245 18.752 19.000 -0.005 0.000 0.806 215 A HN 0.719 nan 8.150 nan 0.000 0.448 216 N N 0.315 118.992 118.700 -0.039 0.000 2.258 216 N HA -0.243 4.496 4.740 -0.001 0.000 0.187 216 N C 0.770 176.251 175.510 -0.050 0.000 1.012 216 N CA 1.747 54.760 53.050 -0.061 0.000 0.870 216 N CB -0.331 38.094 38.487 -0.102 0.000 0.977 216 N HN 0.517 nan 8.380 nan 0.000 0.434 217 K N -0.527 119.857 120.400 -0.026 0.000 3.016 217 K HA -0.192 4.127 4.320 -0.001 0.000 0.262 217 K C -0.993 175.618 176.600 0.018 0.000 1.043 217 K CA 0.950 57.243 56.287 0.010 0.000 0.761 217 K CB -1.672 30.841 32.500 0.023 0.000 1.230 217 K HN 0.454 nan 8.250 nan 0.000 0.485 218 S N -1.635 114.010 115.700 -0.090 0.000 2.514 218 S HA 0.103 4.573 4.470 -0.001 0.000 0.193 218 S C -0.172 174.226 174.600 -0.337 0.000 0.790 218 S CA -0.770 57.286 58.200 -0.241 0.000 0.958 218 S CB 0.170 63.160 63.200 -0.349 0.000 1.696 218 S HN 0.323 nan 8.310 nan 0.000 0.514 219 E N 1.164 121.178 120.200 -0.309 0.000 2.481 219 E HA 0.271 4.620 4.350 -0.001 0.000 0.198 219 E C 0.335 176.617 176.600 -0.529 0.000 1.027 219 E CA 0.257 56.382 56.400 -0.457 0.000 0.900 219 E CB 1.286 30.697 29.700 -0.483 0.000 0.993 219 E HN 0.687 nan 8.360 nan 0.000 0.482 220 V N -2.201 117.509 119.914 -0.339 0.000 3.000 220 V HA 0.350 4.469 4.120 -0.001 0.000 0.300 220 V C -3.042 173.109 176.094 0.094 0.000 1.251 220 V CA -2.991 59.174 62.300 -0.224 0.000 0.972 220 V CB 1.599 33.079 31.823 -0.573 0.000 1.065 220 V HN -0.231 nan 8.190 nan 0.000 0.431 221 P HA -0.047 nan 4.420 nan 0.000 0.270 221 P C 1.009 178.514 177.300 0.341 0.000 1.181 221 P CA 0.185 63.495 63.100 0.349 0.000 0.767 221 P CB 0.369 32.316 31.700 0.410 0.000 0.799 222 L N 2.710 124.102 121.223 0.282 0.000 2.085 222 L HA -0.279 4.060 4.340 -0.001 0.000 0.218 222 L C 1.905 178.997 176.870 0.370 0.000 1.080 222 L CA 2.605 57.564 54.840 0.199 0.000 0.776 222 L CB -1.464 40.647 42.059 0.087 0.000 0.891 222 L HN 0.541 nan 8.230 nan 0.000 0.437 223 D N -1.162 119.545 120.400 0.512 0.000 2.178 223 D HA -0.176 4.463 4.640 -0.001 0.000 0.202 223 D C 1.886 178.381 176.300 0.325 0.000 0.974 223 D CA 1.759 56.006 54.000 0.412 0.000 0.841 223 D CB -0.440 40.568 40.800 0.347 0.000 0.953 223 D HN 0.551 nan 8.370 nan 0.000 0.478 224 I N -0.614 120.164 120.570 0.346 0.000 3.526 224 I HA 0.081 4.250 4.170 -0.001 0.000 0.294 224 I C 1.801 178.168 176.117 0.417 0.000 1.229 224 I CA 0.128 61.660 61.300 0.385 0.000 1.408 224 I CB -0.821 37.484 38.000 0.509 0.000 1.127 224 I HN 0.146 nan 8.210 nan 0.000 0.439 225 C N 1.540 120.976 119.300 0.226 0.000 2.400 225 C HA -0.064 4.395 4.460 -0.001 0.000 0.291 225 C C 2.442 177.560 174.990 0.214 0.000 1.372 225 C CA 1.103 60.209 59.018 0.147 0.000 1.800 225 C CB -2.529 25.273 27.740 0.103 0.000 1.869 225 C HN 0.702 nan 8.230 nan 0.000 0.533 226 T N -2.473 112.205 114.554 0.207 0.000 3.092 226 T HA 0.313 4.663 4.350 -0.001 0.000 0.258 226 T C 0.509 175.299 174.700 0.151 0.000 1.031 226 T CA 0.190 62.384 62.100 0.156 0.000 0.925 226 T CB -0.007 68.928 68.868 0.112 0.000 1.036 226 T HN 0.559 nan 8.240 nan 0.000 0.544 227 S N 0.904 116.729 115.700 0.209 0.000 2.786 227 S HA 0.807 5.276 4.470 -0.001 0.000 0.302 227 S C -0.883 173.716 174.600 -0.000 0.000 1.080 227 S CA -0.873 57.393 58.200 0.111 0.000 0.925 227 S CB 0.678 63.945 63.200 0.112 0.000 1.325 227 S HN 0.193 nan 8.310 nan 0.000 0.576 228 I N 0.552 121.060 120.570 -0.103 0.000 2.474 228 I HA 0.388 4.557 4.170 -0.001 0.000 0.294 228 I C -0.832 175.147 176.117 -0.229 0.000 1.005 228 I CA -0.331 60.802 61.300 -0.277 0.000 1.113 228 I CB 1.254 39.010 38.000 -0.406 0.000 1.289 228 I HN 0.498 nan 8.210 nan 0.000 0.436 229 C N 5.761 124.888 119.300 -0.290 0.000 2.239 229 C HA 0.466 4.925 4.460 -0.001 0.000 0.323 229 C C 0.202 175.181 174.990 -0.018 0.000 1.205 229 C CA -0.648 58.297 59.018 -0.122 0.000 1.584 229 C CB -0.723 26.897 27.740 -0.200 0.000 2.201 229 C HN 0.655 nan 8.230 nan 0.000 0.475 230 K N 2.948 123.387 120.400 0.065 0.000 2.164 230 K HA 0.475 4.794 4.320 -0.001 0.000 0.258 230 K C -1.345 175.403 176.600 0.247 0.000 0.951 230 K CA -0.510 55.815 56.287 0.063 0.000 0.844 230 K CB 2.062 34.477 32.500 -0.142 0.000 1.099 230 K HN 0.577 nan 8.250 nan 0.000 0.435 231 Y N 2.964 123.258 120.300 -0.009 0.000 2.376 231 Y HA 0.320 4.869 4.550 -0.001 0.000 0.340 231 Y C -2.585 173.198 175.900 -0.195 0.000 0.965 231 Y CA -2.815 55.265 58.100 -0.033 0.000 1.078 231 Y CB 1.638 40.071 38.460 -0.045 0.000 1.193 231 Y HN 0.416 nan 8.280 nan 0.000 0.452 232 P HA -0.012 nan 4.420 nan 0.000 0.262 232 P C -0.722 175.894 177.300 -1.140 0.000 1.199 232 P CA 0.370 62.904 63.100 -0.944 0.000 0.763 232 P CB 0.385 31.511 31.700 -0.957 0.000 0.790 233 D N 3.060 123.094 120.400 -0.609 0.000 2.545 233 D HA -0.000 4.639 4.640 -0.001 0.000 0.227 233 D C 0.829 176.939 176.300 -0.316 0.000 1.150 233 D CA 0.196 53.949 54.000 -0.412 0.000 1.046 233 D CB -0.478 40.172 40.800 -0.250 0.000 1.098 233 D HN 0.392 nan 8.370 nan 0.000 0.502 234 Y N 1.523 121.636 120.300 -0.313 0.000 2.070 234 Y HA -0.271 4.278 4.550 -0.002 0.000 0.280 234 Y C 2.300 178.070 175.900 -0.216 0.000 1.148 234 Y CA 0.105 58.001 58.100 -0.340 0.000 1.125 234 Y CB 0.012 38.267 38.460 -0.342 0.000 0.975 234 Y HN 0.321 nan 8.280 nan 0.000 0.492 235 I N 0.708 121.293 120.570 0.025 0.000 2.185 235 I HA -0.372 3.798 4.170 -0.001 0.000 0.246 235 I C 2.279 178.390 176.117 -0.011 0.000 1.088 235 I CA 1.799 63.107 61.300 0.013 0.000 1.347 235 I CB -1.113 36.891 38.000 0.007 0.000 1.041 235 I HN 0.292 nan 8.210 nan 0.000 0.415 236 K N 0.161 120.532 120.400 -0.048 0.000 2.044 236 K HA -0.046 4.273 4.320 -0.001 0.000 0.204 236 K C 2.291 178.865 176.600 -0.045 0.000 1.049 236 K CA 0.738 56.995 56.287 -0.049 0.000 0.945 236 K CB 0.055 32.507 32.500 -0.081 0.000 0.724 236 K HN 0.131 nan 8.250 nan 0.000 0.440 237 M N 0.616 120.172 119.600 -0.074 0.000 2.082 237 M HA -0.214 4.265 4.480 -0.001 0.000 0.258 237 M C 2.177 178.466 176.300 -0.019 0.000 1.069 237 M CA 1.572 56.833 55.300 -0.065 0.000 1.102 237 M CB -0.344 32.187 32.600 -0.115 0.000 1.336 237 M HN 0.023 nan 8.290 nan 0.000 0.404 238 V N -0.447 119.457 119.914 -0.017 0.000 2.307 238 V HA -0.218 3.901 4.120 -0.001 0.000 0.245 238 V C 2.158 178.285 176.094 0.055 0.000 1.045 238 V CA 1.935 64.252 62.300 0.029 0.000 1.024 238 V CB -0.780 31.059 31.823 0.027 0.000 0.651 238 V HN 0.431 nan 8.190 nan 0.000 0.449 239 S N -0.293 115.429 115.700 0.038 0.000 2.559 239 S HA -0.156 4.313 4.470 -0.001 0.000 0.250 239 S C 0.860 175.490 174.600 0.050 0.000 0.977 239 S CA 0.696 58.921 58.200 0.042 0.000 0.958 239 S CB -0.584 62.630 63.200 0.024 0.000 0.751 239 S HN 0.772 nan 8.310 nan 0.000 0.534 240 E N 2.429 122.663 120.200 0.057 0.000 2.360 240 E HA 0.100 4.449 4.350 -0.001 0.000 0.269 240 E C -1.032 175.631 176.600 0.106 0.000 1.022 240 E CA -1.680 54.764 56.400 0.072 0.000 0.887 240 E CB 0.580 30.321 29.700 0.068 0.000 0.990 240 E HN 0.017 nan 8.360 nan 0.000 0.426 241 P HA -0.208 nan 4.420 nan 0.000 0.205 241 P C 0.631 177.965 177.300 0.057 0.000 1.193 241 P CA 1.417 64.544 63.100 0.044 0.000 0.929 241 P CB -0.287 31.416 31.700 0.006 0.000 0.772 242 Y N 0.099 120.421 120.300 0.035 0.000 2.538 242 Y HA 0.072 4.621 4.550 -0.002 0.000 0.287 242 Y C 1.950 177.987 175.900 0.229 0.000 1.157 242 Y CA 1.081 59.244 58.100 0.105 0.000 1.338 242 Y CB -1.607 36.890 38.460 0.062 0.000 0.970 242 Y HN 0.238 nan 8.280 nan 0.000 0.564 243 G N 0.361 109.348 108.800 0.310 0.000 2.305 243 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.287 243 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.287 243 G C 0.468 175.541 174.900 0.290 0.000 1.036 243 G CA 0.713 45.985 45.100 0.286 0.000 0.887 243 G HN 0.437 nan 8.290 nan 0.000 0.505 244 D N -0.434 120.111 120.400 0.242 0.000 2.327 244 D HA 0.149 4.788 4.640 -0.001 0.000 0.205 244 D C 2.463 178.796 176.300 0.055 0.000 0.989 244 D CA 0.985 55.118 54.000 0.222 0.000 0.873 244 D CB 0.139 41.060 40.800 0.202 0.000 0.955 244 D HN 0.377 nan 8.370 nan 0.000 0.515 245 S N 0.428 116.139 115.700 0.019 0.000 2.462 245 S HA -0.065 4.404 4.470 -0.001 0.000 0.219 245 S C 0.965 175.463 174.600 -0.170 0.000 1.048 245 S CA 0.807 58.970 58.200 -0.061 0.000 1.119 245 S CB -0.406 62.764 63.200 -0.050 0.000 1.100 245 S HN 0.312 nan 8.310 nan 0.000 0.411 246 L N -1.060 120.065 121.223 -0.164 0.000 2.354 246 L HA 0.684 5.023 4.340 -0.001 0.000 0.269 246 L C -0.149 176.667 176.870 -0.090 0.000 1.005 246 L CA -0.864 53.819 54.840 -0.261 0.000 0.819 246 L CB 1.385 43.357 42.059 -0.144 0.000 1.311 246 L HN 0.334 nan 8.230 nan 0.000 0.423 247 F N 0.014 120.076 119.950 0.188 0.000 2.747 247 F HA 0.497 5.023 4.527 -0.002 0.000 0.305 247 F C 0.004 175.968 175.800 0.274 0.000 1.065 247 F CA -0.869 57.252 58.000 0.202 0.000 1.230 247 F CB -0.205 38.898 39.000 0.173 0.000 1.027 247 F HN 0.356 nan 8.300 nan 0.000 0.607 248 F N 1.821 122.097 119.950 0.542 0.000 2.579 248 F HA 0.691 5.218 4.527 -0.002 0.000 0.324 248 F C -1.260 174.676 175.800 0.227 0.000 1.058 248 F CA -2.159 56.013 58.000 0.287 0.000 0.944 248 F CB 1.960 41.114 39.000 0.257 0.000 1.245 248 F HN 0.095 nan 8.300 nan 0.000 0.477 249 Y N 3.754 123.333 120.300 -1.201 0.000 2.469 249 Y HA 0.512 5.061 4.550 -0.002 0.000 0.335 249 Y C -2.790 172.596 175.900 -0.857 0.000 1.313 249 Y CA -2.156 55.425 58.100 -0.864 0.000 1.324 249 Y CB -0.172 38.027 38.460 -0.435 0.000 1.321 249 Y HN 0.624 nan 8.280 nan 0.000 0.477 250 L N 2.984 123.849 121.223 -0.596 0.000 2.505 250 L HA 0.809 5.148 4.340 -0.001 0.000 0.266 250 L C -0.632 176.097 176.870 -0.235 0.000 0.954 250 L CA -1.671 52.838 54.840 -0.553 0.000 0.852 250 L CB 1.923 43.633 42.059 -0.583 0.000 1.282 250 L HN 0.914 nan 8.230 nan 0.000 0.403 251 R N 1.080 121.507 120.500 -0.121 0.000 2.873 251 R HA 0.965 5.304 4.340 -0.001 0.000 0.264 251 R C -0.700 175.603 176.300 0.005 0.000 1.026 251 R CA -0.979 55.136 56.100 0.026 0.000 1.002 251 R CB 2.085 32.456 30.300 0.118 0.000 1.174 251 R HN 0.657 nan 8.270 nan 0.000 0.488 252 R N 0.919 121.458 120.500 0.066 0.000 3.107 252 R HA 0.118 4.457 4.340 -0.001 0.000 0.224 252 R C -1.717 174.630 176.300 0.079 0.000 1.734 252 R CA -0.156 55.972 56.100 0.046 0.000 1.303 252 R CB 0.684 30.989 30.300 0.009 0.000 1.570 252 R HN 0.927 nan 8.270 nan 0.000 0.606 253 E N 2.142 122.396 120.200 0.091 0.000 2.256 253 E HA 0.528 4.877 4.350 -0.001 0.000 0.267 253 E C -1.219 175.420 176.600 0.066 0.000 0.892 253 E CA -1.135 55.318 56.400 0.088 0.000 0.775 253 E CB 2.327 32.093 29.700 0.109 0.000 1.207 253 E HN 0.408 nan 8.360 nan 0.000 0.420 254 Q N 2.482 122.318 119.800 0.059 0.000 2.468 254 Q HA 0.506 4.845 4.340 -0.001 0.000 0.263 254 Q C -1.322 174.720 176.000 0.070 0.000 0.979 254 Q CA -0.891 54.949 55.803 0.062 0.000 0.932 254 Q CB 1.925 30.700 28.738 0.061 0.000 1.462 254 Q HN 0.689 nan 8.270 nan 0.000 0.403 255 M N 2.833 122.484 119.600 0.084 0.000 2.833 255 M HA 0.775 5.254 4.480 -0.001 0.000 0.270 255 M C -2.135 174.255 176.300 0.150 0.000 1.209 255 M CA -0.621 54.725 55.300 0.076 0.000 0.826 255 M CB 2.407 35.008 32.600 0.001 0.000 1.657 255 M HN 1.026 nan 8.290 nan 0.000 0.492 256 F N 0.487 120.416 119.950 -0.035 0.000 2.713 256 F HA 0.688 5.214 4.527 -0.002 0.000 0.311 256 F C -1.450 174.311 175.800 -0.065 0.000 1.141 256 F CA -1.025 56.947 58.000 -0.047 0.000 0.939 256 F CB 0.378 39.349 39.000 -0.049 0.000 1.325 256 F HN 0.461 nan 8.300 nan 0.000 0.453 257 V N 1.595 121.527 119.914 0.030 0.000 2.529 257 V HA 0.380 4.499 4.120 -0.001 0.000 0.292 257 V C 0.732 176.670 176.094 -0.259 0.000 1.028 257 V CA 0.031 62.253 62.300 -0.131 0.000 1.074 257 V CB 0.672 32.475 31.823 -0.032 0.000 0.958 257 V HN 1.112 nan 8.190 nan 0.000 0.481 258 R N 2.818 123.069 120.500 -0.416 0.000 2.140 258 R HA 0.314 4.653 4.340 -0.001 0.000 0.200 258 R C 0.399 176.377 176.300 -0.537 0.000 1.069 258 R CA 0.852 56.703 56.100 -0.415 0.000 1.088 258 R CB 0.017 30.113 30.300 -0.339 0.000 1.012 258 R HN 0.916 nan 8.270 nan 0.000 0.500 259 H N -1.819 117.024 119.070 -0.378 0.000 2.946 259 H HA 0.587 5.142 4.556 -0.002 0.000 0.365 259 H C -1.484 173.422 175.328 -0.703 0.000 1.197 259 H CA -0.695 55.015 56.048 -0.563 0.000 1.131 259 H CB 1.834 31.090 29.762 -0.844 0.000 1.849 259 H HN -0.062 nan 8.280 nan 0.000 0.555 260 L N 1.569 122.467 121.223 -0.542 0.000 2.365 260 L HA 0.517 4.856 4.340 -0.001 0.000 0.273 260 L C -1.170 175.387 176.870 -0.522 0.000 1.000 260 L CA -0.081 54.467 54.840 -0.488 0.000 0.819 260 L CB 1.161 43.077 42.059 -0.238 0.000 1.284 260 L HN 0.511 nan 8.230 nan 0.000 0.418 261 F N 0.291 120.039 119.950 -0.338 0.000 2.824 261 F HA 0.439 4.964 4.527 -0.002 0.000 0.330 261 F C -0.285 175.481 175.800 -0.057 0.000 1.175 261 F CA -1.073 56.729 58.000 -0.329 0.000 0.974 261 F CB 2.170 40.728 39.000 -0.737 0.000 1.430 261 F HN 0.355 nan 8.300 nan 0.000 0.507 262 N N 0.267 119.183 118.700 0.361 0.000 2.346 262 N HA 0.295 5.034 4.740 -0.001 0.000 0.289 262 N C -1.354 174.355 175.510 0.331 0.000 1.027 262 N CA -0.805 52.403 53.050 0.264 0.000 0.864 262 N CB 1.030 39.579 38.487 0.104 0.000 1.370 262 N HN 0.312 nan 8.380 nan 0.000 0.481 263 R N 2.025 122.688 120.500 0.271 0.000 2.404 263 R HA 0.199 4.538 4.340 -0.001 0.000 0.315 263 R C 0.005 176.302 176.300 -0.006 0.000 1.032 263 R CA -0.141 55.996 56.100 0.062 0.000 0.992 263 R CB -0.184 30.083 30.300 -0.056 0.000 0.959 263 R HN 0.574 nan 8.270 nan 0.000 0.428 264 A N 1.731 124.537 122.820 -0.024 0.000 2.310 264 A HA 0.636 4.955 4.320 -0.001 0.000 0.260 264 A C 0.614 178.163 177.584 -0.059 0.000 1.112 264 A CA 0.516 52.529 52.037 -0.041 0.000 0.804 264 A CB 0.184 19.155 19.000 -0.049 0.000 1.081 264 A HN 0.851 nan 8.150 nan 0.000 0.499 265 G N -1.331 107.437 108.800 -0.053 0.000 2.570 265 G HA2 0.401 4.360 3.960 -0.001 0.000 0.686 265 G HA3 0.401 4.360 3.960 -0.001 0.000 0.686 265 G C -0.118 174.756 174.900 -0.045 0.000 1.257 265 G CA 0.061 45.129 45.100 -0.053 0.000 0.846 265 G HN 2.159 nan 8.290 nan 0.000 0.627 266 T N -1.915 112.615 114.554 -0.040 0.000 2.856 266 T HA 0.509 4.859 4.350 -0.001 0.000 0.306 266 T C 0.844 175.524 174.700 -0.033 0.000 1.062 266 T CA 0.032 62.112 62.100 -0.033 0.000 1.083 266 T CB 1.311 70.162 68.868 -0.029 0.000 0.984 266 T HN 1.550 nan 8.240 nan 0.000 0.542 267 V N 2.865 122.762 119.914 -0.028 0.000 2.555 267 V HA 0.440 4.559 4.120 -0.001 0.000 0.286 267 V C 1.555 177.637 176.094 -0.021 0.000 1.044 267 V CA 0.471 62.756 62.300 -0.026 0.000 1.026 267 V CB 0.662 32.472 31.823 -0.021 0.000 0.981 267 V HN 1.201 nan 8.190 nan 0.000 0.480 268 G N 3.854 112.642 108.800 -0.021 0.000 2.559 268 G HA2 0.164 4.123 3.960 -0.001 0.000 0.209 268 G HA3 0.164 4.123 3.960 -0.001 0.000 0.209 268 G C 0.294 175.188 174.900 -0.010 0.000 1.151 268 G CA -0.014 45.075 45.100 -0.017 0.000 0.824 268 G HN 0.674 nan 8.290 nan 0.000 0.543 269 E N 0.292 120.488 120.200 -0.007 0.000 2.275 269 E HA 0.359 4.708 4.350 -0.001 0.000 0.270 269 E C -1.628 174.977 176.600 0.009 0.000 0.882 269 E CA -0.691 55.711 56.400 0.003 0.000 0.758 269 E CB 1.865 31.566 29.700 0.003 0.000 1.195 269 E HN 0.051 nan 8.360 nan 0.000 0.419 270 N N 0.614 119.327 118.700 0.021 0.000 2.479 270 N HA 0.211 4.951 4.740 -0.001 0.000 0.285 270 N C -0.846 174.701 175.510 0.060 0.000 1.075 270 N CA -0.438 52.633 53.050 0.035 0.000 0.967 270 N CB 1.313 39.827 38.487 0.045 0.000 1.137 270 N HN 0.139 nan 8.380 nan 0.000 0.472 271 V N 3.855 123.809 119.914 0.067 0.000 2.540 271 V HA 0.084 4.203 4.120 -0.001 0.000 0.297 271 V C -1.833 174.396 176.094 0.224 0.000 1.024 271 V CA -0.884 61.485 62.300 0.115 0.000 1.105 271 V CB 0.243 32.102 31.823 0.060 0.000 0.938 271 V HN 0.653 nan 8.190 nan 0.000 0.482 272 P HA 0.071 nan 4.420 nan 0.000 0.264 272 P C 0.115 177.507 177.300 0.152 0.000 1.193 272 P CA -0.173 63.013 63.100 0.143 0.000 0.763 272 P CB 0.349 32.102 31.700 0.089 0.000 0.810 273 D N 1.172 121.563 120.400 -0.015 0.000 2.379 273 D HA -0.135 4.504 4.640 -0.001 0.000 0.243 273 D C 0.355 176.394 176.300 -0.435 0.000 1.088 273 D CA 0.685 54.457 54.000 -0.380 0.000 0.925 273 D CB -0.575 40.101 40.800 -0.208 0.000 0.888 273 D HN 0.398 nan 8.370 nan 0.000 0.529 274 D N -0.049 120.219 120.400 -0.221 0.000 2.433 274 D HA 0.014 4.653 4.640 -0.001 0.000 0.211 274 D C 1.518 177.766 176.300 -0.087 0.000 1.114 274 D CA -0.143 53.767 54.000 -0.151 0.000 0.837 274 D CB -0.021 40.740 40.800 -0.066 0.000 0.984 274 D HN 0.293 nan 8.370 nan 0.000 0.505 275 L N -0.526 120.680 121.223 -0.027 0.000 2.585 275 L HA 0.204 4.543 4.340 -0.001 0.000 0.226 275 L C 0.502 177.544 176.870 0.285 0.000 1.113 275 L CA 0.030 54.965 54.840 0.157 0.000 0.876 275 L CB -0.308 41.906 42.059 0.258 0.000 1.072 275 L HN 0.079 nan 8.230 nan 0.000 0.468 276 Y N -1.881 118.437 120.300 0.030 0.000 2.962 276 Y HA 0.721 5.271 4.550 -0.001 0.000 0.287 276 Y C -0.973 174.945 175.900 0.029 0.000 1.785 276 Y CA -1.906 56.214 58.100 0.033 0.000 1.077 276 Y CB 0.861 39.347 38.460 0.043 0.000 2.494 276 Y HN -0.277 nan 8.280 nan 0.000 0.387 277 I N 0.664 121.391 120.570 0.261 0.000 2.994 277 I HA 0.391 4.560 4.170 -0.001 0.000 0.306 277 I C -0.826 175.469 176.117 0.298 0.000 1.195 277 I CA -1.594 59.758 61.300 0.087 0.000 1.001 277 I CB 2.114 40.158 38.000 0.072 0.000 1.244 277 I HN 0.398 nan 8.210 nan 0.000 0.437 278 K N 1.740 122.238 120.400 0.164 0.000 2.344 278 K HA 0.253 4.573 4.320 -0.001 0.000 0.260 278 K C 0.342 177.027 176.600 0.143 0.000 0.988 278 K CA 0.084 56.483 56.287 0.186 0.000 0.909 278 K CB 0.726 33.282 32.500 0.093 0.000 0.968 278 K HN 0.918 nan 8.250 nan 0.000 0.505 279 G N -0.255 108.610 108.800 0.109 0.000 2.782 279 G HA2 0.344 4.303 3.960 -0.001 0.000 0.201 279 G HA3 0.344 4.303 3.960 -0.001 0.000 0.201 279 G C -0.853 174.068 174.900 0.035 0.000 1.374 279 G CA -0.322 44.820 45.100 0.070 0.000 1.039 279 G HN 0.513 nan 8.290 nan 0.000 0.576 280 S N -1.557 114.151 115.700 0.013 0.000 2.619 280 S HA 0.562 5.031 4.470 -0.001 0.000 0.280 280 S C 0.896 175.479 174.600 -0.028 0.000 1.150 280 S CA 0.694 58.893 58.200 -0.001 0.000 0.978 280 S CB 1.108 64.314 63.200 0.010 0.000 1.041 280 S HN 2.352 nan 8.310 nan 0.000 0.485 281 G N 4.650 113.430 108.800 -0.034 0.000 2.678 281 G HA2 -0.466 3.493 3.960 -0.001 0.000 0.362 281 G HA3 -0.466 3.493 3.960 -0.001 0.000 0.362 281 G C 1.426 176.267 174.900 -0.100 0.000 1.169 281 G CA 2.531 47.599 45.100 -0.053 0.000 0.933 281 G HN 2.057 nan 8.290 nan 0.000 0.587 282 S N -0.270 115.363 115.700 -0.111 0.000 2.434 282 S HA -0.312 4.158 4.470 -0.001 0.000 0.240 282 S C 2.406 176.785 174.600 -0.368 0.000 1.052 282 S CA 4.092 62.169 58.200 -0.205 0.000 1.198 282 S CB -1.746 61.393 63.200 -0.102 0.000 1.124 282 S HN 2.188 nan 8.310 nan 0.000 0.426 283 T N -0.427 114.008 114.554 -0.198 0.000 3.228 283 T HA 0.388 4.738 4.350 -0.001 0.000 0.261 283 T C 1.083 175.737 174.700 -0.078 0.000 1.171 283 T CA 0.670 62.694 62.100 -0.126 0.000 1.056 283 T CB -0.485 68.435 68.868 0.086 0.000 0.938 283 T HN 0.638 nan 8.240 nan 0.000 0.539 284 A N 0.506 123.260 122.820 -0.111 0.000 2.390 284 A HA 0.440 4.759 4.320 -0.001 0.000 0.232 284 A C 0.622 178.162 177.584 -0.072 0.000 1.233 284 A CA -0.567 51.442 52.037 -0.047 0.000 0.907 284 A CB 0.033 19.021 19.000 -0.021 0.000 0.967 284 A HN 0.427 nan 8.150 nan 0.000 0.512 285 N N 0.604 119.209 118.700 -0.159 0.000 2.518 285 N HA 0.463 5.202 4.740 -0.001 0.000 0.254 285 N C -1.212 174.211 175.510 -0.144 0.000 0.979 285 N CA -0.410 52.558 53.050 -0.136 0.000 0.930 285 N CB 0.760 39.161 38.487 -0.142 0.000 1.152 285 N HN 0.039 nan 8.380 nan 0.000 0.505 286 L N 2.030 123.219 121.223 -0.057 0.000 2.499 286 L HA 0.277 4.616 4.340 -0.001 0.000 0.273 286 L C 0.931 177.833 176.870 0.054 0.000 1.195 286 L CA 0.016 54.861 54.840 0.008 0.000 0.882 286 L CB -0.127 41.888 42.059 -0.074 0.000 1.133 286 L HN 0.555 nan 8.230 nan 0.000 0.483 287 A N 3.040 126.004 122.820 0.240 0.000 2.425 287 A HA 0.271 4.590 4.320 -0.001 0.000 0.242 287 A C 0.650 178.237 177.584 0.006 0.000 1.077 287 A CA -0.224 51.925 52.037 0.188 0.000 0.781 287 A CB 0.065 19.282 19.000 0.362 0.000 1.020 287 A HN 0.706 nan 8.150 nan 0.000 0.494 288 S N 0.373 116.045 115.700 -0.046 0.000 2.673 288 S HA 0.035 4.504 4.470 -0.001 0.000 0.308 288 S C 1.214 175.629 174.600 -0.308 0.000 1.246 288 S CA 0.607 58.727 58.200 -0.134 0.000 1.077 288 S CB 0.099 63.235 63.200 -0.106 0.000 0.814 288 S HN 0.928 nan 8.310 nan 0.000 0.503 289 S N 3.730 119.250 115.700 -0.301 0.000 2.557 289 S HA 0.196 4.665 4.470 -0.001 0.000 0.223 289 S C 0.178 174.474 174.600 -0.506 0.000 0.969 289 S CA -0.514 57.399 58.200 -0.478 0.000 0.927 289 S CB -0.410 62.679 63.200 -0.185 0.000 0.806 289 S HN 0.836 nan 8.310 nan 0.000 0.489 290 N N 2.195 120.707 118.700 -0.314 0.000 2.421 290 N HA 0.187 4.926 4.740 -0.001 0.000 0.260 290 N C -1.414 174.065 175.510 -0.052 0.000 1.173 290 N CA -0.076 52.897 53.050 -0.128 0.000 0.960 290 N CB 0.298 38.756 38.487 -0.049 0.000 1.273 290 N HN 0.296 nan 8.380 nan 0.000 0.497 291 Y N 1.848 122.230 120.300 0.136 0.000 2.457 291 Y HA 0.557 5.106 4.550 -0.002 0.000 0.333 291 Y C 0.054 176.130 175.900 0.293 0.000 1.119 291 Y CA -1.428 56.785 58.100 0.188 0.000 1.143 291 Y CB 0.750 39.257 38.460 0.078 0.000 1.230 291 Y HN 0.317 nan 8.280 nan 0.000 0.469 292 F N 0.315 120.406 119.950 0.235 0.000 2.613 292 F HA 0.980 5.506 4.527 -0.001 0.000 0.310 292 F C -3.446 172.465 175.800 0.185 0.000 1.085 292 F CA -2.720 55.393 58.000 0.188 0.000 0.945 292 F CB 2.383 41.466 39.000 0.139 0.000 1.298 292 F HN 0.180 nan 8.300 nan 0.000 0.455 293 P HA 0.329 nan 4.420 nan 0.000 0.305 293 P C -1.213 176.124 177.300 0.062 0.000 1.390 293 P CA -0.516 62.491 63.100 -0.155 0.000 1.054 293 P CB 2.175 33.822 31.700 -0.088 0.000 1.335 294 T N 0.305 114.773 114.554 -0.144 0.000 2.907 294 T HA 0.439 4.788 4.350 -0.001 0.000 0.298 294 T C -2.050 172.540 174.700 -0.185 0.000 1.017 294 T CA -1.544 60.554 62.100 -0.004 0.000 1.118 294 T CB 0.238 69.090 68.868 -0.027 0.000 0.948 294 T HN 0.311 nan 8.240 nan 0.000 0.531 295 P HA 0.474 nan 4.420 nan 0.000 0.281 295 P C -0.980 176.102 177.300 -0.363 0.000 1.281 295 P CA -0.675 62.235 63.100 -0.318 0.000 0.811 295 P CB 1.561 33.083 31.700 -0.296 0.000 1.154 296 S N -0.602 114.817 115.700 -0.467 0.000 2.592 296 S HA 0.573 5.042 4.470 -0.001 0.000 0.275 296 S C -0.667 173.807 174.600 -0.209 0.000 1.169 296 S CA -0.655 57.313 58.200 -0.386 0.000 0.958 296 S CB 0.376 63.211 63.200 -0.609 0.000 1.095 296 S HN 0.595 nan 8.310 nan 0.000 0.471 297 G N 2.399 111.171 108.800 -0.046 0.000 2.329 297 G HA2 0.476 4.435 3.960 -0.001 0.000 0.309 297 G HA3 0.476 4.435 3.960 -0.001 0.000 0.309 297 G C 0.208 175.154 174.900 0.077 0.000 1.110 297 G CA -0.228 44.898 45.100 0.043 0.000 0.923 297 G HN 1.068 nan 8.290 nan 0.000 0.430 298 S N 3.406 119.200 115.700 0.156 0.000 2.580 298 S HA 0.137 4.606 4.470 -0.001 0.000 0.266 298 S C 1.072 175.724 174.600 0.088 0.000 1.354 298 S CA -0.494 57.806 58.200 0.167 0.000 1.008 298 S CB 0.128 63.441 63.200 0.188 0.000 0.898 298 S HN 0.730 nan 8.310 nan 0.000 0.555 299 M N 2.819 122.460 119.600 0.069 0.000 2.133 299 M HA -0.137 4.342 4.480 -0.001 0.000 0.507 299 M C -0.528 175.795 176.300 0.038 0.000 1.192 299 M CA 0.318 55.643 55.300 0.042 0.000 0.608 299 M CB -0.324 32.293 32.600 0.028 0.000 1.914 299 M HN 0.561 nan 8.290 nan 0.000 0.572 300 V N 2.845 122.780 119.914 0.034 0.000 2.539 300 V HA 0.820 4.939 4.120 -0.001 0.000 0.292 300 V C 0.001 176.112 176.094 0.028 0.000 1.045 300 V CA -0.607 61.714 62.300 0.036 0.000 0.945 300 V CB 1.635 33.480 31.823 0.037 0.000 0.993 300 V HN 0.852 nan 8.190 nan 0.000 0.464 301 T N 1.609 116.181 114.554 0.029 0.000 2.900 301 T HA 0.408 4.757 4.350 -0.001 0.000 0.295 301 T C 0.898 175.611 174.700 0.022 0.000 1.044 301 T CA 0.387 62.499 62.100 0.021 0.000 0.995 301 T CB 2.096 70.973 68.868 0.014 0.000 1.072 301 T HN 0.982 nan 8.240 nan 0.000 0.473 302 S N 2.354 118.064 115.700 0.016 0.000 2.338 302 S HA -0.071 4.398 4.470 -0.001 0.000 0.218 302 S C 1.062 175.668 174.600 0.010 0.000 1.032 302 S CA 1.897 60.106 58.200 0.015 0.000 0.999 302 S CB -0.767 62.438 63.200 0.009 0.000 0.905 302 S HN 0.875 nan 8.310 nan 0.000 0.439 303 D N 1.262 121.665 120.400 0.005 0.000 2.421 303 D HA 0.060 4.699 4.640 -0.001 0.000 0.241 303 D C 0.575 176.874 176.300 -0.002 0.000 1.114 303 D CA 0.833 54.833 54.000 -0.001 0.000 1.018 303 D CB -0.237 40.562 40.800 -0.002 0.000 0.872 303 D HN 0.390 nan 8.370 nan 0.000 0.508 304 A N -0.433 122.389 122.820 0.003 0.000 2.596 304 A HA 0.048 4.367 4.320 -0.001 0.000 0.276 304 A C 0.295 177.878 177.584 -0.002 0.000 0.962 304 A CA -0.468 51.568 52.037 -0.001 0.000 1.010 304 A CB 0.445 19.448 19.000 0.005 0.000 1.220 304 A HN -0.075 nan 8.150 nan 0.000 0.549 305 Q N 0.703 120.507 119.800 0.006 0.000 2.263 305 Q HA 0.115 4.455 4.340 -0.001 0.000 0.289 305 Q C 1.094 177.046 176.000 -0.080 0.000 1.061 305 Q CA 0.057 55.867 55.803 0.011 0.000 0.927 305 Q CB 0.617 29.379 28.738 0.039 0.000 1.154 305 Q HN 0.483 nan 8.270 nan 0.000 0.378 306 I N 1.890 122.319 120.570 -0.234 0.000 2.716 306 I HA -0.041 4.128 4.170 -0.001 0.000 0.259 306 I C 0.745 176.514 176.117 -0.581 0.000 1.172 306 I CA 0.674 61.666 61.300 -0.515 0.000 1.478 306 I CB -0.303 37.148 38.000 -0.915 0.000 1.104 306 I HN 0.359 nan 8.210 nan 0.000 0.439 307 F N 0.746 120.759 119.950 0.105 0.000 2.380 307 F HA 0.326 4.852 4.527 -0.002 0.000 0.319 307 F C 1.389 177.168 175.800 -0.035 0.000 1.113 307 F CA -0.531 57.514 58.000 0.076 0.000 1.056 307 F CB 0.116 39.142 39.000 0.042 0.000 1.289 307 F HN -0.087 nan 8.300 nan 0.000 0.515 308 N N -0.167 118.564 118.700 0.051 0.000 2.878 308 N HA -0.240 4.499 4.740 -0.001 0.000 0.247 308 N C -0.768 174.646 175.510 -0.160 0.000 1.021 308 N CA 0.769 53.783 53.050 -0.060 0.000 0.873 308 N CB -0.776 37.709 38.487 -0.003 0.000 1.128 308 N HN 0.617 nan 8.380 nan 0.000 0.571 309 K N 0.474 120.714 120.400 -0.267 0.000 2.378 309 K HA 0.460 4.779 4.320 -0.001 0.000 0.252 309 K C -2.824 173.335 176.600 -0.735 0.000 0.931 309 K CA -2.010 54.080 56.287 -0.328 0.000 0.794 309 K CB 2.045 34.456 32.500 -0.148 0.000 1.181 309 K HN -0.173 nan 8.250 nan 0.000 0.425 310 P HA 0.069 nan 4.420 nan 0.000 0.282 310 P C -1.352 175.223 177.300 -1.207 0.000 1.262 310 P CA -0.054 62.366 63.100 -1.133 0.000 0.773 310 P CB 0.208 31.259 31.700 -1.082 0.000 0.879 311 Y N 1.738 121.494 120.300 -0.905 0.000 2.434 311 Y HA 0.301 4.850 4.550 -0.002 0.000 0.341 311 Y C 0.250 175.602 175.900 -0.912 0.000 0.965 311 Y CA -0.950 56.601 58.100 -0.915 0.000 1.205 311 Y CB 0.676 38.501 38.460 -1.059 0.000 1.121 311 Y HN 0.332 nan 8.280 nan 0.000 0.507 312 W N 5.233 126.351 121.300 -0.302 0.000 2.332 312 W HA 0.409 5.068 4.660 -0.001 0.000 0.306 312 W C 0.019 176.357 176.519 -0.302 0.000 1.149 312 W CA -0.758 56.428 57.345 -0.266 0.000 1.271 312 W CB 0.912 30.287 29.460 -0.141 0.000 1.243 312 W HN 0.542 nan 8.180 nan 0.000 0.459 313 L N 4.412 125.594 121.223 -0.068 0.000 2.688 313 L HA -0.022 4.317 4.340 -0.001 0.000 0.234 313 L C 2.203 179.006 176.870 -0.112 0.000 1.192 313 L CA 0.052 54.780 54.840 -0.187 0.000 0.984 313 L CB -0.610 41.274 42.059 -0.291 0.000 1.232 313 L HN 0.616 nan 8.230 nan 0.000 0.465 314 Q N 0.670 120.447 119.800 -0.037 0.000 2.156 314 Q HA -0.201 4.138 4.340 -0.001 0.000 0.211 314 Q C 1.188 177.161 176.000 -0.046 0.000 0.995 314 Q CA 1.396 57.175 55.803 -0.039 0.000 0.877 314 Q CB -0.090 28.633 28.738 -0.025 0.000 0.920 314 Q HN 0.474 nan 8.270 nan 0.000 0.416 315 R N -0.732 119.751 120.500 -0.027 0.000 2.922 315 R HA 0.781 5.121 4.340 -0.001 0.000 0.256 315 R C -1.883 174.420 176.300 0.005 0.000 1.138 315 R CA -0.109 55.979 56.100 -0.020 0.000 0.995 315 R CB 2.396 32.695 30.300 -0.002 0.000 1.226 315 R HN 0.240 nan 8.270 nan 0.000 0.481 316 A N 0.681 123.515 122.820 0.022 0.000 2.580 316 A HA 0.161 4.480 4.320 -0.001 0.000 0.301 316 A C -1.009 176.619 177.584 0.073 0.000 1.054 316 A CA -0.730 51.355 52.037 0.081 0.000 0.751 316 A CB 1.311 20.372 19.000 0.101 0.000 1.275 316 A HN 0.700 nan 8.150 nan 0.000 0.403 317 Q N 0.948 120.809 119.800 0.101 0.000 2.472 317 Q HA 0.355 4.695 4.340 -0.001 0.000 0.208 317 Q C 0.800 176.832 176.000 0.054 0.000 0.958 317 Q CA 1.074 56.913 55.803 0.059 0.000 0.932 317 Q CB -0.169 28.613 28.738 0.072 0.000 1.007 317 Q HN 1.191 nan 8.270 nan 0.000 0.508 318 G N -1.113 107.760 108.800 0.122 0.000 2.491 318 G HA2 0.343 4.302 3.960 -0.001 0.000 0.327 318 G HA3 0.343 4.302 3.960 -0.001 0.000 0.327 318 G C -0.626 174.346 174.900 0.120 0.000 1.189 318 G CA -0.619 44.579 45.100 0.163 0.000 0.956 318 G HN 0.188 nan 8.290 nan 0.000 0.491 319 H N -0.322 118.864 119.070 0.193 0.000 2.293 319 H HA -0.041 4.514 4.556 -0.001 0.000 0.300 319 H C 1.585 177.059 175.328 0.243 0.000 1.082 319 H CA 1.350 57.520 56.048 0.204 0.000 1.308 319 H CB 0.146 30.040 29.762 0.219 0.000 1.375 319 H HN 0.400 nan 8.280 nan 0.000 0.495 320 N N 0.803 119.773 118.700 0.449 0.000 2.492 320 N HA -0.094 4.645 4.740 -0.001 0.000 0.260 320 N C 0.166 175.818 175.510 0.236 0.000 1.215 320 N CA 0.320 53.606 53.050 0.393 0.000 0.923 320 N CB 0.656 39.452 38.487 0.515 0.000 1.092 320 N HN 0.268 nan 8.380 nan 0.000 0.448 321 N N 0.948 119.666 118.700 0.030 0.000 2.143 321 N HA 0.243 4.982 4.740 -0.001 0.000 0.222 321 N C -0.072 175.181 175.510 -0.428 0.000 1.264 321 N CA 0.384 53.342 53.050 -0.153 0.000 0.897 321 N CB 0.466 38.893 38.487 -0.100 0.000 1.092 321 N HN 0.701 nan 8.380 nan 0.000 0.516 322 G N 0.284 108.815 108.800 -0.449 0.000 2.665 322 G HA2 -0.019 3.940 3.960 -0.001 0.000 0.220 322 G HA3 -0.019 3.940 3.960 -0.001 0.000 0.220 322 G C -0.824 173.952 174.900 -0.206 0.000 1.002 322 G CA -0.540 44.255 45.100 -0.510 0.000 0.893 322 G HN 0.068 nan 8.290 nan 0.000 0.586 323 I N 2.252 122.666 120.570 -0.261 0.000 2.311 323 I HA 0.210 4.379 4.170 -0.001 0.000 0.297 323 I C 1.089 176.913 176.117 -0.488 0.000 1.131 323 I CA -1.488 59.487 61.300 -0.541 0.000 1.289 323 I CB -0.433 36.852 38.000 -1.191 0.000 1.446 323 I HN 0.221 nan 8.210 nan 0.000 0.524 324 C N 5.746 124.946 119.300 -0.166 0.000 3.329 324 C HA 0.064 4.523 4.460 -0.001 0.000 0.537 324 C C 0.584 175.539 174.990 -0.059 0.000 1.034 324 C CA -1.283 57.725 59.018 -0.017 0.000 1.086 324 C CB -2.526 25.277 27.740 0.105 0.000 1.392 324 C HN 0.614 nan 8.230 nan 0.000 0.612 325 W N 1.127 122.465 121.300 0.063 0.000 2.603 325 W HA 0.317 4.976 4.660 -0.001 0.000 0.349 325 W C 1.325 177.779 176.519 -0.108 0.000 1.291 325 W CA 1.236 58.549 57.345 -0.052 0.000 1.277 325 W CB -0.293 29.123 29.460 -0.074 0.000 1.292 325 W HN 0.927 nan 8.180 nan 0.000 0.578 326 G N 2.393 111.245 108.800 0.086 0.000 2.179 326 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.220 326 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.220 326 G C 0.440 175.334 174.900 -0.010 0.000 0.990 326 G CA -0.188 44.908 45.100 -0.006 0.000 0.646 326 G HN 0.635 nan 8.290 nan 0.000 0.517 327 N N -0.697 118.011 118.700 0.014 0.000 2.741 327 N HA -0.162 4.577 4.740 -0.001 0.000 0.251 327 N C 0.222 175.665 175.510 -0.111 0.000 1.112 327 N CA 1.939 54.970 53.050 -0.030 0.000 0.750 327 N CB -1.085 37.388 38.487 -0.023 0.000 1.119 327 N HN 0.876 nan 8.380 nan 0.000 0.561 328 Q N -0.136 119.586 119.800 -0.129 0.000 2.306 328 Q HA 0.695 5.034 4.340 -0.001 0.000 0.265 328 Q C -0.511 175.329 176.000 -0.266 0.000 1.022 328 Q CA -0.514 55.127 55.803 -0.271 0.000 0.853 328 Q CB 2.142 30.658 28.738 -0.370 0.000 1.327 328 Q HN 0.207 nan 8.270 nan 0.000 0.449 329 L N 3.091 124.121 121.223 -0.322 0.000 2.409 329 L HA 0.498 4.837 4.340 -0.001 0.000 0.272 329 L C -1.504 175.340 176.870 -0.042 0.000 0.980 329 L CA -0.454 54.321 54.840 -0.109 0.000 0.826 329 L CB 1.326 43.398 42.059 0.020 0.000 1.268 329 L HN 0.698 nan 8.230 nan 0.000 0.407 330 F N 4.480 124.399 119.950 -0.050 0.000 2.325 330 F HA 0.332 4.859 4.527 -0.001 0.000 0.369 330 F C 0.044 175.844 175.800 -0.000 0.000 1.095 330 F CA -1.010 56.935 58.000 -0.092 0.000 1.082 330 F CB 1.801 40.674 39.000 -0.212 0.000 1.289 330 F HN 0.098 nan 8.300 nan 0.000 0.462 331 V N 3.225 123.309 119.914 0.283 0.000 2.406 331 V HA 0.219 4.338 4.120 -0.001 0.000 0.272 331 V C 0.020 176.241 176.094 0.212 0.000 1.043 331 V CA -0.237 62.193 62.300 0.216 0.000 0.915 331 V CB 1.499 33.423 31.823 0.168 0.000 0.988 331 V HN 0.625 nan 8.190 nan 0.000 0.466 332 T N 4.912 119.563 114.554 0.161 0.000 2.821 332 T HA 0.557 4.906 4.350 -0.001 0.000 0.307 332 T C -0.246 174.590 174.700 0.225 0.000 1.034 332 T CA -0.368 61.835 62.100 0.172 0.000 0.953 332 T CB 1.236 70.159 68.868 0.091 0.000 0.968 332 T HN 0.290 nan 8.240 nan 0.000 0.462 333 V N 3.396 123.462 119.914 0.253 0.000 2.850 333 V HA 0.702 4.821 4.120 -0.001 0.000 0.315 333 V C -0.309 175.874 176.094 0.148 0.000 1.064 333 V CA -0.711 61.717 62.300 0.214 0.000 0.979 333 V CB 2.205 34.132 31.823 0.173 0.000 1.039 333 V HN 0.649 nan 8.190 nan 0.000 0.452 334 V N 2.453 122.409 119.914 0.070 0.000 2.612 334 V HA 0.500 4.619 4.120 -0.001 0.000 0.301 334 V C -1.487 174.595 176.094 -0.020 0.000 1.059 334 V CA -0.433 61.839 62.300 -0.047 0.000 0.886 334 V CB 2.020 33.714 31.823 -0.216 0.000 1.007 334 V HN 1.011 nan 8.190 nan 0.000 0.426 335 D N 2.321 122.694 120.400 -0.044 0.000 2.788 335 D HA 0.458 5.097 4.640 -0.001 0.000 0.247 335 D C 0.720 177.027 176.300 0.012 0.000 1.236 335 D CA 0.242 54.209 54.000 -0.056 0.000 0.898 335 D CB 2.497 43.133 40.800 -0.274 0.000 1.401 335 D HN 0.579 nan 8.370 nan 0.000 0.549 336 T N -0.746 113.839 114.554 0.051 0.000 3.015 336 T HA -0.016 4.333 4.350 -0.001 0.000 0.250 336 T C 1.457 176.191 174.700 0.055 0.000 1.057 336 T CA 0.886 63.020 62.100 0.056 0.000 1.066 336 T CB -0.287 68.618 68.868 0.061 0.000 0.959 336 T HN 0.344 nan 8.240 nan 0.000 0.488 337 T N 1.143 115.733 114.554 0.060 0.000 3.077 337 T HA 0.094 4.443 4.350 -0.001 0.000 0.269 337 T C 0.954 175.678 174.700 0.041 0.000 1.146 337 T CA 0.295 62.428 62.100 0.056 0.000 1.091 337 T CB -0.420 68.494 68.868 0.077 0.000 0.892 337 T HN 0.504 nan 8.240 nan 0.000 0.533 338 R N 0.722 121.247 120.500 0.041 0.000 2.638 338 R HA 0.272 4.612 4.340 -0.001 0.000 0.269 338 R C 0.810 177.180 176.300 0.117 0.000 1.393 338 R CA -0.000 56.130 56.100 0.050 0.000 1.531 338 R CB 0.562 30.876 30.300 0.025 0.000 1.327 338 R HN 0.345 nan 8.270 nan 0.000 0.709 339 S N -1.329 114.408 115.700 0.062 0.000 2.558 339 S HA -0.028 4.442 4.470 -0.001 0.000 0.217 339 S C 0.934 175.317 174.600 -0.361 0.000 0.975 339 S CA -0.083 58.086 58.200 -0.052 0.000 0.912 339 S CB 0.131 63.299 63.200 -0.054 0.000 0.776 339 S HN 0.173 nan 8.310 nan 0.000 0.526 340 T N 4.879 119.337 114.554 -0.160 0.000 2.758 340 T HA 0.144 4.493 4.350 -0.001 0.000 0.281 340 T C -0.087 174.468 174.700 -0.242 0.000 0.963 340 T CA -0.102 61.911 62.100 -0.146 0.000 1.201 340 T CB -0.456 68.388 68.868 -0.041 0.000 0.906 340 T HN 0.607 nan 8.240 nan 0.000 0.528 341 N N 3.534 122.053 118.700 -0.301 0.000 2.473 341 N HA 0.546 5.285 4.740 -0.001 0.000 0.291 341 N C 0.009 175.470 175.510 -0.081 0.000 1.083 341 N CA -0.950 51.951 53.050 -0.248 0.000 0.951 341 N CB 0.774 39.067 38.487 -0.325 0.000 1.164 341 N HN 0.563 nan 8.380 nan 0.000 0.480 342 M N -0.974 118.616 119.600 -0.017 0.000 2.528 342 M HA 0.637 5.117 4.480 -0.001 0.000 0.318 342 M C -0.726 175.586 176.300 0.020 0.000 1.195 342 M CA -0.800 54.505 55.300 0.008 0.000 1.000 342 M CB 1.546 34.162 32.600 0.027 0.000 1.615 342 M HN 0.534 nan 8.290 nan 0.000 0.469 343 S N 2.208 117.931 115.700 0.037 0.000 2.621 343 S HA 0.924 5.393 4.470 -0.001 0.000 0.302 343 S C -0.592 174.063 174.600 0.091 0.000 1.093 343 S CA -1.003 57.239 58.200 0.069 0.000 1.017 343 S CB 1.804 65.043 63.200 0.065 0.000 1.077 343 S HN 0.844 nan 8.310 nan 0.000 0.517 344 L N -0.895 120.416 121.223 0.147 0.000 2.482 344 L HA 0.903 5.242 4.340 -0.001 0.000 0.263 344 L C -0.805 176.219 176.870 0.256 0.000 0.957 344 L CA -1.038 53.895 54.840 0.155 0.000 0.836 344 L CB 1.249 43.372 42.059 0.106 0.000 1.324 344 L HN 1.031 nan 8.230 nan 0.000 0.406 345 C N 0.914 120.348 119.300 0.222 0.000 2.802 345 C HA 1.039 5.498 4.460 -0.001 0.000 0.307 345 C C 0.111 175.267 174.990 0.278 0.000 1.222 345 C CA 0.053 59.254 59.018 0.303 0.000 1.580 345 C CB 1.114 29.010 27.740 0.260 0.000 2.119 345 C HN 1.327 nan 8.230 nan 0.000 0.479 346 A N 1.744 124.748 122.820 0.306 0.000 2.380 346 A HA 0.957 5.276 4.320 -0.001 0.000 0.315 346 A C -0.027 177.647 177.584 0.150 0.000 1.101 346 A CA 0.053 52.211 52.037 0.203 0.000 0.771 346 A CB 1.172 20.253 19.000 0.135 0.000 1.287 346 A HN 2.332 nan 8.150 nan 0.000 0.436 347 A N 0.442 123.260 122.820 -0.003 0.000 2.286 347 A HA 0.605 4.925 4.320 -0.001 0.000 0.286 347 A C 0.592 178.054 177.584 -0.204 0.000 1.097 347 A CA -0.207 51.643 52.037 -0.311 0.000 0.821 347 A CB 0.275 19.000 19.000 -0.459 0.000 1.076 347 A HN 1.364 nan 8.150 nan 0.000 0.490 348 I N 0.091 120.497 120.570 -0.274 0.000 3.645 348 I HA 0.129 4.298 4.170 -0.001 0.000 0.300 348 I C 0.361 176.392 176.117 -0.143 0.000 1.260 348 I CA 1.267 62.473 61.300 -0.157 0.000 1.365 348 I CB 0.096 38.011 38.000 -0.141 0.000 1.077 348 I HN 0.698 nan 8.210 nan 0.000 0.439 349 S N -2.233 113.352 115.700 -0.192 0.000 2.578 349 S HA 0.166 4.635 4.470 -0.001 0.000 0.285 349 S C 0.375 174.888 174.600 -0.145 0.000 1.126 349 S CA -0.134 57.987 58.200 -0.133 0.000 0.878 349 S CB 0.392 63.530 63.200 -0.103 0.000 1.091 349 S HN 0.150 nan 8.310 nan 0.000 0.450 350 T N -0.535 113.965 114.554 -0.090 0.000 3.148 350 T HA 0.127 4.476 4.350 -0.001 0.000 0.253 350 T C 1.529 176.202 174.700 -0.046 0.000 1.134 350 T CA 0.881 62.942 62.100 -0.066 0.000 1.051 350 T CB -0.559 68.290 68.868 -0.032 0.000 0.959 350 T HN 0.537 nan 8.240 nan 0.000 0.525 351 S N 1.730 117.399 115.700 -0.052 0.000 2.426 351 S HA -0.093 4.376 4.470 -0.001 0.000 0.220 351 S C 0.733 175.318 174.600 -0.025 0.000 1.040 351 S CA 0.870 59.050 58.200 -0.034 0.000 1.094 351 S CB -0.684 62.494 63.200 -0.037 0.000 1.072 351 S HN 0.617 nan 8.310 nan 0.000 0.415 352 E N 1.335 121.512 120.200 -0.038 0.000 2.975 352 E HA -0.081 4.268 4.350 -0.001 0.000 0.269 352 E C 0.816 177.426 176.600 0.018 0.000 0.905 352 E CA 0.900 57.291 56.400 -0.016 0.000 0.967 352 E CB 0.163 29.839 29.700 -0.041 0.000 0.925 352 E HN 0.543 nan 8.360 nan 0.000 0.507 353 T N -1.119 113.454 114.554 0.031 0.000 3.069 353 T HA 0.116 4.465 4.350 -0.001 0.000 0.252 353 T C 0.222 174.964 174.700 0.069 0.000 1.053 353 T CA 0.059 62.187 62.100 0.046 0.000 0.964 353 T CB -0.082 68.806 68.868 0.034 0.000 1.005 353 T HN 0.454 nan 8.240 nan 0.000 0.532 354 T N -0.508 114.094 114.554 0.080 0.000 2.991 354 T HA 0.509 4.858 4.350 -0.001 0.000 0.303 354 T C -0.666 174.126 174.700 0.153 0.000 1.015 354 T CA -1.000 61.166 62.100 0.110 0.000 1.007 354 T CB 1.286 70.204 68.868 0.083 0.000 1.034 354 T HN 0.236 nan 8.240 nan 0.000 0.446 355 Y N 2.665 123.020 120.300 0.092 0.000 2.709 355 Y HA 0.326 4.876 4.550 0.000 0.000 0.348 355 Y C 0.207 176.191 175.900 0.140 0.000 1.267 355 Y CA 0.485 58.661 58.100 0.126 0.000 1.486 355 Y CB 0.491 38.971 38.460 0.032 0.000 1.356 355 Y HN 0.697 nan 8.280 nan 0.000 0.639 356 K N 4.730 124.851 120.400 -0.464 0.000 2.635 356 K HA 0.023 4.343 4.320 -0.001 0.000 0.266 356 K C -0.149 176.328 176.600 -0.205 0.000 1.033 356 K CA -0.618 55.604 56.287 -0.108 0.000 0.919 356 K CB 1.319 33.794 32.500 -0.042 0.000 1.289 356 K HN 0.731 nan 8.250 nan 0.000 0.463 357 N N 0.639 119.379 118.700 0.068 0.000 2.144 357 N HA -0.182 4.557 4.740 -0.001 0.000 0.195 357 N C 0.972 176.523 175.510 0.068 0.000 1.006 357 N CA 2.269 55.396 53.050 0.128 0.000 0.880 357 N CB 0.099 38.691 38.487 0.175 0.000 1.018 357 N HN 0.639 nan 8.380 nan 0.000 0.443 358 T N -3.582 110.987 114.554 0.026 0.000 3.251 358 T HA 0.224 4.573 4.350 -0.001 0.000 0.259 358 T C 0.710 175.391 174.700 -0.032 0.000 0.998 358 T CA -0.421 61.686 62.100 0.011 0.000 0.905 358 T CB -0.068 68.801 68.868 0.003 0.000 1.067 358 T HN 0.028 nan 8.240 nan 0.000 0.569 359 N N 0.610 119.277 118.700 -0.055 0.000 2.203 359 N HA 0.268 5.007 4.740 -0.001 0.000 0.207 359 N C -1.153 174.057 175.510 -0.501 0.000 1.130 359 N CA -0.682 52.222 53.050 -0.244 0.000 0.861 359 N CB 0.120 38.428 38.487 -0.297 0.000 1.005 359 N HN 0.371 nan 8.380 nan 0.000 0.507 360 F N -0.000 119.887 119.950 -0.105 0.000 2.581 360 F HA 0.442 4.968 4.527 -0.000 0.000 0.311 360 F C -0.026 175.770 175.800 -0.007 0.000 1.113 360 F CA -0.959 57.017 58.000 -0.041 0.000 0.935 360 F CB 1.670 40.643 39.000 -0.045 0.000 1.232 360 F HN -0.389 nan 8.300 nan 0.000 0.445 361 K N 2.335 122.849 120.400 0.191 0.000 2.183 361 K HA 0.412 4.731 4.320 -0.001 0.000 0.274 361 K C -0.650 175.986 176.600 0.061 0.000 1.009 361 K CA -0.779 55.553 56.287 0.076 0.000 0.888 361 K CB 1.391 33.952 32.500 0.101 0.000 1.078 361 K HN 0.514 nan 8.250 nan 0.000 0.459 362 E N 2.466 122.586 120.200 -0.134 0.000 2.183 362 E HA 0.298 4.647 4.350 -0.001 0.000 0.271 362 E C -1.100 175.361 176.600 -0.233 0.000 0.919 362 E CA -0.535 55.844 56.400 -0.035 0.000 0.781 362 E CB 1.454 31.156 29.700 0.004 0.000 1.140 362 E HN 0.383 nan 8.360 nan 0.000 0.402 363 Y N 0.490 120.844 120.300 0.090 0.000 2.576 363 Y HA 0.462 5.011 4.550 -0.002 0.000 0.346 363 Y C -0.151 175.780 175.900 0.052 0.000 1.018 363 Y CA -0.837 57.321 58.100 0.096 0.000 1.050 363 Y CB 1.714 40.228 38.460 0.091 0.000 1.280 363 Y HN 0.253 nan 8.280 nan 0.000 0.474 364 L N 3.629 124.946 121.223 0.157 0.000 2.356 364 L HA 0.655 4.994 4.340 -0.001 0.000 0.277 364 L C -0.622 176.165 176.870 -0.138 0.000 0.996 364 L CA -0.781 54.036 54.840 -0.038 0.000 0.822 364 L CB 1.337 43.304 42.059 -0.154 0.000 1.256 364 L HN 0.588 nan 8.230 nan 0.000 0.413 365 R N 1.370 121.842 120.500 -0.046 0.000 2.836 365 R HA 0.523 4.862 4.340 -0.001 0.000 0.269 365 R C -1.343 174.987 176.300 0.051 0.000 1.010 365 R CA -0.852 55.239 56.100 -0.014 0.000 0.930 365 R CB 2.483 32.803 30.300 0.033 0.000 1.218 365 R HN 0.651 nan 8.270 nan 0.000 0.473 366 H N -0.503 118.530 119.070 -0.062 0.000 2.934 366 H HA 0.429 4.984 4.556 -0.001 0.000 0.340 366 H C -0.576 174.748 175.328 -0.007 0.000 1.008 366 H CA -0.567 55.456 56.048 -0.042 0.000 1.317 366 H CB 1.851 31.573 29.762 -0.066 0.000 1.670 366 H HN 0.789 nan 8.280 nan 0.000 0.516 367 G N 2.386 111.194 108.800 0.013 0.000 2.522 367 G HA2 0.418 4.377 3.960 -0.001 0.000 0.304 367 G HA3 0.418 4.377 3.960 -0.001 0.000 0.304 367 G C -0.918 173.839 174.900 -0.239 0.000 1.210 367 G CA -0.464 44.569 45.100 -0.112 0.000 0.960 367 G HN 0.672 nan 8.290 nan 0.000 0.497 368 E N -0.285 119.856 120.200 -0.098 0.000 2.415 368 E HA 0.110 4.459 4.350 -0.001 0.000 0.302 368 E C -1.539 175.063 176.600 0.003 0.000 0.907 368 E CA -0.376 55.975 56.400 -0.082 0.000 0.798 368 E CB 2.400 32.076 29.700 -0.040 0.000 1.315 368 E HN 0.629 nan 8.360 nan 0.000 0.396 369 E N 3.590 123.725 120.200 -0.109 0.000 2.155 369 E HA 0.348 4.697 4.350 -0.001 0.000 0.264 369 E C -1.367 175.114 176.600 -0.198 0.000 0.886 369 E CA -0.433 55.936 56.400 -0.052 0.000 0.752 369 E CB 0.928 30.606 29.700 -0.036 0.000 1.133 369 E HN 0.331 nan 8.360 nan 0.000 0.414 370 Y N 2.180 122.497 120.300 0.028 0.000 2.496 370 Y HA 0.376 4.925 4.550 -0.001 0.000 0.331 370 Y C -0.292 175.567 175.900 -0.069 0.000 1.140 370 Y CA -0.579 57.490 58.100 -0.051 0.000 1.166 370 Y CB 1.858 40.259 38.460 -0.098 0.000 1.249 370 Y HN 0.546 nan 8.280 nan 0.000 0.479 371 D N 1.529 121.958 120.400 0.048 0.000 2.318 371 D HA 0.264 4.903 4.640 -0.001 0.000 0.233 371 D C -1.748 174.513 176.300 -0.066 0.000 1.348 371 D CA -0.200 53.799 54.000 -0.002 0.000 0.983 371 D CB 0.521 41.318 40.800 -0.005 0.000 1.416 371 D HN 0.391 nan 8.370 nan 0.000 0.558 372 L N 3.045 124.223 121.223 -0.075 0.000 2.380 372 L HA 0.392 4.731 4.340 -0.001 0.000 0.273 372 L C 0.078 176.889 176.870 -0.098 0.000 1.138 372 L CA -0.254 54.515 54.840 -0.118 0.000 0.832 372 L CB 1.083 43.139 42.059 -0.004 0.000 1.124 372 L HN 0.405 nan 8.230 nan 0.000 0.454 373 Q N 4.266 123.842 119.800 -0.373 0.000 2.337 373 Q HA 0.564 4.903 4.340 -0.001 0.000 0.270 373 Q C -1.389 174.127 176.000 -0.807 0.000 1.043 373 Q CA -0.433 55.134 55.803 -0.394 0.000 0.794 373 Q CB 2.902 31.440 28.738 -0.333 0.000 1.281 373 Q HN 0.347 nan 8.270 nan 0.000 0.446 374 F N 1.539 121.128 119.950 -0.602 0.000 2.578 374 F HA 0.541 5.067 4.527 -0.001 0.000 0.311 374 F C -0.306 174.957 175.800 -0.896 0.000 1.094 374 F CA -0.864 56.683 58.000 -0.756 0.000 0.923 374 F CB 1.833 40.435 39.000 -0.662 0.000 1.230 374 F HN 0.295 nan 8.300 nan 0.000 0.450 375 I N 3.633 123.751 120.570 -0.754 0.000 2.468 375 I HA 0.361 4.530 4.170 -0.001 0.000 0.285 375 I C -1.217 174.561 176.117 -0.565 0.000 1.039 375 I CA -0.619 60.346 61.300 -0.558 0.000 1.074 375 I CB 1.425 39.067 38.000 -0.598 0.000 1.228 375 I HN 0.399 nan 8.210 nan 0.000 0.436 376 F N 3.843 123.758 119.950 -0.059 0.000 2.522 376 F HA 0.504 5.030 4.527 -0.001 0.000 0.324 376 F C 0.424 176.490 175.800 0.443 0.000 1.077 376 F CA -0.693 57.397 58.000 0.150 0.000 0.944 376 F CB 1.760 40.815 39.000 0.091 0.000 1.175 376 F HN 0.336 nan 8.300 nan 0.000 0.468 377 Q N 2.549 122.731 119.800 0.636 0.000 2.333 377 Q HA 0.475 4.814 4.340 -0.001 0.000 0.268 377 Q C -1.417 174.662 176.000 0.130 0.000 1.007 377 Q CA -1.205 54.798 55.803 0.334 0.000 0.810 377 Q CB 1.980 30.898 28.738 0.301 0.000 1.264 377 Q HN 0.681 nan 8.270 nan 0.000 0.452 378 L N 4.008 125.148 121.223 -0.139 0.000 2.331 378 L HA 0.375 4.714 4.340 -0.001 0.000 0.278 378 L C -1.248 175.409 176.870 -0.357 0.000 1.106 378 L CA 0.300 54.899 54.840 -0.401 0.000 0.824 378 L CB 0.561 42.259 42.059 -0.603 0.000 1.142 378 L HN 0.765 nan 8.230 nan 0.000 0.443 379 C N 3.834 122.943 119.300 -0.318 0.000 2.871 379 C HA 0.843 5.302 4.460 -0.001 0.000 0.351 379 C C -0.219 174.654 174.990 -0.197 0.000 1.338 379 C CA -0.930 57.962 59.018 -0.210 0.000 1.686 379 C CB 2.046 29.721 27.740 -0.109 0.000 2.135 379 C HN 0.937 nan 8.230 nan 0.000 0.476 380 K N 0.119 120.467 120.400 -0.087 0.000 2.480 380 K HA 0.879 5.199 4.320 -0.001 0.000 0.258 380 K C -1.773 174.865 176.600 0.063 0.000 0.990 380 K CA -0.545 55.722 56.287 -0.032 0.000 0.857 380 K CB 1.470 33.965 32.500 -0.007 0.000 1.384 380 K HN 0.605 nan 8.250 nan 0.000 0.446 381 I N 1.875 122.492 120.570 0.079 0.000 2.576 381 I HA 0.082 4.251 4.170 -0.001 0.000 0.279 381 I C -0.435 175.707 176.117 0.041 0.000 1.114 381 I CA -0.799 60.577 61.300 0.127 0.000 1.076 381 I CB 1.990 40.143 38.000 0.255 0.000 1.212 381 I HN 0.839 nan 8.210 nan 0.000 0.472 382 T N 3.477 118.063 114.554 0.054 0.000 2.934 382 T HA 0.318 4.667 4.350 -0.001 0.000 0.306 382 T C -0.281 174.434 174.700 0.024 0.000 1.042 382 T CA -0.184 61.931 62.100 0.025 0.000 1.145 382 T CB 0.660 69.550 68.868 0.037 0.000 0.982 382 T HN 0.272 nan 8.240 nan 0.000 0.544 383 L N 4.556 125.771 121.223 -0.014 0.000 2.264 383 L HA 0.394 4.733 4.340 -0.001 0.000 0.287 383 L C 1.321 178.199 176.870 0.014 0.000 1.039 383 L CA -0.344 54.494 54.840 -0.003 0.000 0.829 383 L CB 0.980 43.014 42.059 -0.043 0.000 1.211 383 L HN 1.105 nan 8.230 nan 0.000 0.427 384 T N -0.424 114.150 114.554 0.033 0.000 3.070 384 T HA 0.613 4.962 4.350 -0.001 0.000 0.295 384 T C 1.140 175.856 174.700 0.026 0.000 1.221 384 T CA 0.161 62.276 62.100 0.026 0.000 0.926 384 T CB 0.710 69.596 68.868 0.031 0.000 2.158 384 T HN 0.333 nan 8.240 nan 0.000 0.573 385 A N 0.249 123.082 122.820 0.021 0.000 1.924 385 A HA 0.198 4.517 4.320 -0.001 0.000 0.211 385 A C 1.875 179.473 177.584 0.023 0.000 1.198 385 A CA 0.845 52.893 52.037 0.017 0.000 0.657 385 A CB -0.761 18.245 19.000 0.010 0.000 0.852 385 A HN 0.740 nan 8.150 nan 0.000 0.454 386 D N -0.308 120.104 120.400 0.021 0.000 2.277 386 D HA 0.015 4.654 4.640 -0.001 0.000 0.208 386 D C 1.866 178.180 176.300 0.022 0.000 0.962 386 D CA 0.649 54.660 54.000 0.019 0.000 0.865 386 D CB -0.064 40.737 40.800 0.001 0.000 0.939 386 D HN 0.195 nan 8.370 nan 0.000 0.510 387 V N 0.632 120.566 119.914 0.033 0.000 2.232 387 V HA -0.227 3.892 4.120 -0.001 0.000 0.239 387 V C 2.508 178.651 176.094 0.081 0.000 1.040 387 V CA 1.315 63.644 62.300 0.047 0.000 0.996 387 V CB -0.480 31.397 31.823 0.090 0.000 0.638 387 V HN 0.148 nan 8.190 nan 0.000 0.453 388 M N 0.420 120.070 119.600 0.084 0.000 2.147 388 M HA -0.306 4.173 4.480 -0.001 0.000 0.253 388 M C 2.320 178.684 176.300 0.107 0.000 1.075 388 M CA 3.014 58.373 55.300 0.098 0.000 1.085 388 M CB -0.753 31.882 32.600 0.059 0.000 1.305 388 M HN 0.742 nan 8.290 nan 0.000 0.409 389 T N -2.323 112.279 114.554 0.079 0.000 2.777 389 T HA -0.209 4.140 4.350 -0.001 0.000 0.266 389 T C 1.559 176.350 174.700 0.151 0.000 1.040 389 T CA 1.407 63.560 62.100 0.089 0.000 1.141 389 T CB -0.935 67.971 68.868 0.062 0.000 0.868 389 T HN 0.417 nan 8.240 nan 0.000 0.444 390 Y N 2.719 123.001 120.300 -0.030 0.000 2.049 390 Y HA -0.023 4.526 4.550 -0.001 0.000 0.277 390 Y C 2.199 178.038 175.900 -0.101 0.000 1.143 390 Y CA 0.884 58.938 58.100 -0.076 0.000 1.115 390 Y CB -0.636 37.689 38.460 -0.226 0.000 0.975 390 Y HN 0.164 nan 8.280 nan 0.000 0.487 391 I N -0.041 120.519 120.570 -0.016 0.000 2.730 391 I HA -0.366 3.804 4.170 -0.001 0.000 0.266 391 I C 2.320 178.326 176.117 -0.184 0.000 1.228 391 I CA 1.741 62.936 61.300 -0.175 0.000 1.445 391 I CB -0.767 37.251 38.000 0.030 0.000 1.102 391 I HN 0.463 nan 8.210 nan 0.000 0.464 392 H N 0.629 119.620 119.070 -0.131 0.000 2.399 392 H HA 0.064 4.620 4.556 -0.001 0.000 0.300 392 H C 2.134 177.361 175.328 -0.167 0.000 1.048 392 H CA 1.102 57.080 56.048 -0.117 0.000 1.370 392 H CB 0.503 30.240 29.762 -0.042 0.000 1.428 392 H HN 0.130 nan 8.280 nan 0.000 0.534 393 S N 0.278 115.948 115.700 -0.051 0.000 2.562 393 S HA 0.041 4.510 4.470 -0.001 0.000 0.221 393 S C 1.897 176.373 174.600 -0.207 0.000 0.975 393 S CA 0.319 58.500 58.200 -0.031 0.000 0.918 393 S CB 0.258 63.490 63.200 0.054 0.000 0.772 393 S HN 0.445 nan 8.310 nan 0.000 0.531 394 M N 0.740 120.070 119.600 -0.450 0.000 2.731 394 M HA 0.236 4.715 4.480 -0.001 0.000 0.231 394 M C -0.048 175.792 176.300 -0.766 0.000 1.295 394 M CA 0.907 55.654 55.300 -0.921 0.000 1.283 394 M CB 0.400 32.432 32.600 -0.947 0.000 1.146 394 M HN 0.039 nan 8.290 nan 0.000 0.523 395 N N 0.509 118.816 118.700 -0.656 0.000 2.617 395 N HA 0.160 4.899 4.740 -0.001 0.000 0.263 395 N C 0.501 175.732 175.510 -0.465 0.000 1.074 395 N CA -0.053 52.677 53.050 -0.534 0.000 0.841 395 N CB 1.115 39.266 38.487 -0.560 0.000 1.221 395 N HN 0.382 nan 8.380 nan 0.000 0.529 396 S N 1.539 116.972 115.700 -0.446 0.000 2.377 396 S HA -0.314 4.155 4.470 -0.001 0.000 0.224 396 S C 2.155 176.589 174.600 -0.277 0.000 1.042 396 S CA 2.331 60.260 58.200 -0.451 0.000 1.086 396 S CB -1.275 61.697 63.200 -0.382 0.000 0.995 396 S HN 0.745 nan 8.310 nan 0.000 0.428 397 T N 2.706 117.124 114.554 -0.227 0.000 2.635 397 T HA -0.251 4.098 4.350 -0.001 0.000 0.265 397 T C 1.820 176.386 174.700 -0.223 0.000 1.058 397 T CA 1.865 63.861 62.100 -0.173 0.000 1.162 397 T CB -1.266 67.507 68.868 -0.157 0.000 0.859 397 T HN 0.372 nan 8.240 nan 0.000 0.449 398 I N 1.965 122.319 120.570 -0.360 0.000 2.147 398 I HA -0.212 3.957 4.170 -0.001 0.000 0.245 398 I C 2.668 178.455 176.117 -0.551 0.000 1.059 398 I CA 1.620 62.557 61.300 -0.606 0.000 1.320 398 I CB -1.581 35.935 38.000 -0.808 0.000 1.021 398 I HN 0.352 nan 8.210 nan 0.000 0.415 399 L N 0.234 121.397 121.223 -0.100 0.000 1.993 399 L HA -0.166 4.173 4.340 -0.001 0.000 0.206 399 L C 2.627 179.639 176.870 0.237 0.000 1.074 399 L CA 1.295 56.345 54.840 0.351 0.000 0.746 399 L CB -0.772 41.448 42.059 0.268 0.000 0.896 399 L HN 0.208 nan 8.230 nan 0.000 0.435 400 E N 0.456 120.711 120.200 0.091 0.000 2.068 400 E HA -0.302 4.048 4.350 -0.001 0.000 0.207 400 E C 1.793 178.449 176.600 0.092 0.000 1.032 400 E CA 1.868 58.315 56.400 0.078 0.000 0.839 400 E CB -0.469 29.244 29.700 0.020 0.000 0.758 400 E HN 0.519 nan 8.360 nan 0.000 0.457 401 D N 0.023 120.441 120.400 0.031 0.000 2.133 401 D HA -0.173 4.466 4.640 -0.001 0.000 0.195 401 D C 0.422 176.816 176.300 0.156 0.000 0.997 401 D CA 0.728 54.748 54.000 0.034 0.000 0.840 401 D CB -0.235 40.532 40.800 -0.055 0.000 0.947 401 D HN 0.169 nan 8.370 nan 0.000 0.452 402 W N 2.399 123.733 121.300 0.057 0.000 2.322 402 W HA 0.115 4.775 4.660 -0.001 0.000 0.328 402 W C 0.992 177.550 176.519 0.064 0.000 1.395 402 W CA -0.042 57.346 57.345 0.072 0.000 1.267 402 W CB -0.372 29.137 29.460 0.082 0.000 1.259 402 W HN -0.033 nan 8.180 nan 0.000 0.560 439 D N 3.102 123.516 120.400 0.025 0.000 2.316 439 D HA 0.247 4.887 4.640 -0.001 0.000 0.245 439 D C -1.600 174.746 176.300 0.077 0.000 1.171 439 D CA -2.126 51.905 54.000 0.052 0.000 0.856 439 D CB 1.551 42.391 40.800 0.066 0.000 1.090 439 D HN 0.119 nan 8.370 nan 0.000 0.476 440 P HA -0.028 nan 4.420 nan 0.000 0.226 440 P C 0.730 178.180 177.300 0.249 0.000 1.153 440 P CA 0.660 63.837 63.100 0.128 0.000 0.777 440 P CB 0.148 31.911 31.700 0.105 0.000 0.794 441 L N -1.112 120.286 121.223 0.292 0.000 2.805 441 L HA 0.264 4.603 4.340 -0.001 0.000 0.237 441 L C 1.961 179.026 176.870 0.325 0.000 1.252 441 L CA -0.044 55.099 54.840 0.506 0.000 1.064 441 L CB -0.430 41.961 42.059 0.552 0.000 1.361 441 L HN -0.147 nan 8.230 nan 0.000 0.474 442 K N 1.304 121.778 120.400 0.124 0.000 2.128 442 K HA -0.017 4.302 4.320 -0.001 0.000 0.202 442 K C 1.898 178.448 176.600 -0.084 0.000 1.050 442 K CA 0.762 57.065 56.287 0.028 0.000 0.966 442 K CB 0.295 32.791 32.500 -0.007 0.000 0.759 442 K HN 0.071 nan 8.250 nan 0.000 0.454 443 K N 0.285 120.541 120.400 -0.240 0.000 2.585 443 K HA -0.086 4.233 4.320 -0.001 0.000 0.194 443 K C -0.162 176.049 176.600 -0.647 0.000 1.037 443 K CA 0.725 56.731 56.287 -0.468 0.000 0.964 443 K CB -0.417 31.691 32.500 -0.653 0.000 0.787 443 K HN 0.218 nan 8.250 nan 0.000 0.488 444 Y N 0.129 120.366 120.300 -0.103 0.000 2.630 444 Y HA 0.377 4.926 4.550 -0.002 0.000 0.337 444 Y C 0.224 175.796 175.900 -0.546 0.000 1.051 444 Y CA -1.169 56.732 58.100 -0.331 0.000 1.121 444 Y CB 2.054 40.386 38.460 -0.214 0.000 1.299 444 Y HN -0.273 nan 8.280 nan 0.000 0.498 445 T N 1.968 116.032 114.554 -0.817 0.000 3.031 445 T HA 0.562 4.911 4.350 -0.001 0.000 0.305 445 T C -1.303 172.824 174.700 -0.956 0.000 0.985 445 T CA -0.756 60.980 62.100 -0.607 0.000 1.008 445 T CB 0.241 68.916 68.868 -0.323 0.000 1.005 445 T HN 0.336 nan 8.240 nan 0.000 0.444 446 F N 0.444 120.424 119.950 0.049 0.000 2.611 446 F HA 0.614 5.140 4.527 -0.002 0.000 0.324 446 F C -0.320 175.534 175.800 0.089 0.000 1.061 446 F CA -1.453 56.561 58.000 0.023 0.000 0.954 446 F CB 1.120 40.133 39.000 0.023 0.000 1.301 446 F HN 0.469 nan 8.300 nan 0.000 0.482 447 W N 3.568 124.862 121.300 -0.010 0.000 2.446 447 W HA 0.198 4.857 4.660 -0.002 0.000 0.316 447 W C -0.470 176.072 176.519 0.039 0.000 1.376 447 W CA -0.443 56.836 57.345 -0.110 0.000 1.300 447 W CB 0.177 29.394 29.460 -0.406 0.000 1.351 447 W HN 0.459 nan 8.180 nan 0.000 0.530 448 E N 4.072 124.570 120.200 0.498 0.000 2.313 448 E HA 0.289 4.638 4.350 -0.001 0.000 0.276 448 E C -0.793 176.058 176.600 0.419 0.000 1.031 448 E CA -0.354 56.292 56.400 0.409 0.000 0.857 448 E CB 2.105 32.011 29.700 0.343 0.000 1.040 448 E HN 0.187 nan 8.360 nan 0.000 0.408 449 V N 3.756 123.830 119.914 0.267 0.000 2.638 449 V HA 0.236 4.355 4.120 -0.001 0.000 0.306 449 V C -0.049 176.162 176.094 0.196 0.000 1.052 449 V CA -1.013 61.409 62.300 0.204 0.000 0.885 449 V CB 2.072 33.948 31.823 0.088 0.000 0.999 449 V HN 0.527 nan 8.190 nan 0.000 0.424 450 N N 4.498 123.313 118.700 0.191 0.000 2.476 450 N HA 0.420 5.159 4.740 -0.001 0.000 0.257 450 N C -0.202 175.345 175.510 0.062 0.000 0.970 450 N CA -0.315 52.822 53.050 0.145 0.000 0.938 450 N CB 1.741 40.299 38.487 0.118 0.000 1.144 450 N HN 0.704 nan 8.380 nan 0.000 0.500 451 L N 3.372 124.599 121.223 0.006 0.000 2.728 451 L HA 0.202 4.541 4.340 -0.001 0.000 0.238 451 L C 1.867 178.723 176.870 -0.024 0.000 1.143 451 L CA -0.022 54.818 54.840 -0.000 0.000 0.937 451 L CB 0.303 42.337 42.059 -0.041 0.000 1.225 451 L HN 0.412 nan 8.230 nan 0.000 0.507 452 K N 0.663 120.992 120.400 -0.119 0.000 1.991 452 K HA -0.170 4.149 4.320 -0.001 0.000 0.212 452 K C 0.728 177.256 176.600 -0.119 0.000 1.049 452 K CA 1.378 57.520 56.287 -0.242 0.000 0.932 452 K CB 0.041 32.445 32.500 -0.160 0.000 0.717 452 K HN 0.042 nan 8.250 nan 0.000 0.441 453 E N 0.624 120.821 120.200 -0.004 0.000 2.351 453 E HA 0.017 4.366 4.350 -0.001 0.000 0.236 453 E C 0.174 176.843 176.600 0.114 0.000 1.341 453 E CA 0.281 56.720 56.400 0.066 0.000 1.579 453 E CB 0.358 30.101 29.700 0.071 0.000 1.393 453 E HN 0.130 nan 8.360 nan 0.000 0.438 454 K N -0.721 119.764 120.400 0.142 0.000 2.511 454 K HA 0.157 4.476 4.320 -0.001 0.000 0.209 454 K C 0.164 176.905 176.600 0.236 0.000 1.301 454 K CA -0.191 56.200 56.287 0.173 0.000 0.967 454 K CB 0.309 32.880 32.500 0.119 0.000 1.109 454 K HN 0.090 nan 8.250 nan 0.000 0.561 455 F N 2.364 122.251 119.950 -0.104 0.000 2.629 455 F HA 0.019 4.545 4.527 -0.001 0.000 0.369 455 F C 0.961 176.892 175.800 0.218 0.000 1.125 455 F CA 0.589 58.531 58.000 -0.096 0.000 1.330 455 F CB 0.460 39.134 39.000 -0.544 0.000 1.071 455 F HN -0.213 nan 8.300 nan 0.000 0.595 456 S N 1.302 117.314 115.700 0.520 0.000 2.543 456 S HA 0.683 5.152 4.470 -0.001 0.000 0.271 456 S C 0.166 175.069 174.600 0.505 0.000 1.148 456 S CA -0.119 58.433 58.200 0.587 0.000 0.914 456 S CB 1.322 64.886 63.200 0.607 0.000 1.096 456 S HN 0.780 nan 8.310 nan 0.000 0.471 457 A N 2.688 125.671 122.820 0.271 0.000 1.843 457 A HA 0.172 4.491 4.320 -0.001 0.000 0.213 457 A C 0.509 178.103 177.584 0.017 0.000 1.239 457 A CA 1.062 52.917 52.037 -0.302 0.000 0.606 457 A CB -0.979 17.896 19.000 -0.209 0.000 0.903 457 A HN 0.948 nan 8.150 nan 0.000 0.455 458 D N 1.602 122.061 120.400 0.099 0.000 2.668 458 D HA -0.015 4.624 4.640 -0.001 0.000 0.285 458 D C 0.614 177.031 176.300 0.195 0.000 1.492 458 D CA 0.202 54.268 54.000 0.110 0.000 1.237 458 D CB -0.542 40.293 40.800 0.057 0.000 1.153 458 D HN 0.459 nan 8.370 nan 0.000 0.571 459 L N 0.846 122.206 121.223 0.228 0.000 2.456 459 L HA -0.110 4.229 4.340 -0.001 0.000 0.224 459 L C 1.534 178.497 176.870 0.155 0.000 1.148 459 L CA 0.622 55.636 54.840 0.289 0.000 0.825 459 L CB -0.383 41.837 42.059 0.267 0.000 0.937 459 L HN 0.268 nan 8.230 nan 0.000 0.450 460 D N 0.478 120.918 120.400 0.067 0.000 2.354 460 D HA -0.156 4.483 4.640 -0.001 0.000 0.216 460 D C 1.468 177.726 176.300 -0.069 0.000 0.970 460 D CA 0.906 54.906 54.000 0.000 0.000 0.905 460 D CB 0.119 40.913 40.800 -0.010 0.000 0.903 460 D HN 0.507 nan 8.370 nan 0.000 0.508 461 Q N -0.560 119.138 119.800 -0.170 0.000 2.219 461 Q HA 0.189 4.529 4.340 -0.001 0.000 0.209 461 Q C -0.078 175.488 176.000 -0.722 0.000 0.854 461 Q CA 0.060 55.591 55.803 -0.454 0.000 0.960 461 Q CB 0.568 28.946 28.738 -0.600 0.000 1.116 461 Q HN 0.258 nan 8.270 nan 0.000 0.500 462 F N 0.511 120.373 119.950 -0.148 0.000 2.620 462 F HA 0.354 4.880 4.527 -0.002 0.000 0.320 462 F C -1.547 174.205 175.800 -0.079 0.000 1.069 462 F CA -2.183 55.690 58.000 -0.212 0.000 0.953 462 F CB 1.814 40.447 39.000 -0.611 0.000 1.322 462 F HN -0.289 nan 8.300 nan 0.000 0.479 463 P HA -0.095 nan 4.420 nan 0.000 0.217 463 P C 1.672 179.052 177.300 0.133 0.000 1.154 463 P CA 1.230 64.398 63.100 0.113 0.000 0.841 463 P CB 0.844 32.592 31.700 0.079 0.000 0.788 464 L N -0.486 120.838 121.223 0.169 0.000 2.156 464 L HA 0.010 4.349 4.340 -0.001 0.000 0.208 464 L C 2.346 179.389 176.870 0.288 0.000 1.095 464 L CA 1.799 56.736 54.840 0.163 0.000 0.770 464 L CB -1.097 40.992 42.059 0.049 0.000 0.914 464 L HN -0.007 nan 8.230 nan 0.000 0.439 465 G N -0.406 108.597 108.800 0.339 0.000 2.454 465 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.214 465 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.214 465 G C 1.467 176.507 174.900 0.233 0.000 1.217 465 G CA 0.531 45.835 45.100 0.339 0.000 0.799 465 G HN 0.254 nan 8.290 nan 0.000 0.538 466 R N 0.467 121.064 120.500 0.161 0.000 2.293 466 R HA -0.296 4.043 4.340 -0.001 0.000 0.245 466 R C 2.625 178.970 176.300 0.074 0.000 1.105 466 R CA 2.469 58.620 56.100 0.084 0.000 0.916 466 R CB -0.421 29.916 30.300 0.062 0.000 0.963 466 R HN 0.361 nan 8.270 nan 0.000 0.429 467 K N -0.630 119.852 120.400 0.137 0.000 1.967 467 K HA -0.152 4.167 4.320 -0.001 0.000 0.212 467 K C 1.965 178.649 176.600 0.140 0.000 1.044 467 K CA 1.511 57.900 56.287 0.170 0.000 0.942 467 K CB -0.553 32.118 32.500 0.285 0.000 0.726 467 K HN 0.055 nan 8.250 nan 0.000 0.440 468 F N 2.249 122.291 119.950 0.152 0.000 2.079 468 F HA -0.313 4.213 4.527 -0.002 0.000 0.296 468 F C 1.929 177.503 175.800 -0.377 0.000 1.084 468 F CA 1.429 59.217 58.000 -0.354 0.000 1.236 468 F CB -0.591 38.283 39.000 -0.209 0.000 0.984 468 F HN -0.032 nan 8.300 nan 0.000 0.488 469 L N -0.049 120.949 121.223 -0.375 0.000 2.079 469 L HA -0.164 4.176 4.340 -0.001 0.000 0.210 469 L C 2.156 178.809 176.870 -0.362 0.000 1.081 469 L CA 1.605 56.197 54.840 -0.412 0.000 0.752 469 L CB -0.780 41.191 42.059 -0.148 0.000 0.896 469 L HN 0.311 nan 8.230 nan 0.000 0.433 470 L N -1.320 119.755 121.223 -0.247 0.000 2.627 470 L HA -0.015 4.324 4.340 -0.001 0.000 0.233 470 L C 1.702 178.413 176.870 -0.265 0.000 1.144 470 L CA 0.094 54.815 54.840 -0.200 0.000 0.892 470 L CB -0.099 41.898 42.059 -0.103 0.000 1.039 470 L HN 0.440 nan 8.230 nan 0.000 0.442 471 Q N -0.372 119.158 119.800 -0.450 0.000 2.653 471 Q HA 0.257 4.596 4.340 -0.001 0.000 0.212 471 Q C 0.471 176.140 176.000 -0.553 0.000 0.951 471 Q CA -0.239 55.268 55.803 -0.494 0.000 0.535 471 Q CB 0.428 28.746 28.738 -0.700 0.000 3.737 471 Q HN 0.113 nan 8.270 nan 0.000 0.401 472 L N 0.000 120.790 121.223 -0.722 0.000 2.949 472 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 472 L CA 0.000 54.534 54.840 -0.511 0.000 0.813 472 L CB 0.000 41.774 42.059 -0.476 0.000 0.961 472 L HN 0.000 nan 8.230 nan 0.000 0.502