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 2wm4_1_A DATA FIRST_RESID 3 DATA SEQUENCE LNTAIATRVN GTPPPEVPIA DIELGSLDFW ALDDDVRDGA FATLRREAPI DATA SEQUENCE SFWPTIELPG FVAGNGHWAL TKYDDVFYAS RHPDIFSSYP NITINDQTPE DATA SEQUENCE LAEYFGSMIV LDDPRHQRLR SIVSRAFTPK VVARIEAAVR DRAHRLVSSM DATA SEQUENCE IANNPDRQAD LVSELAGPLP LQIICDMMGI PKADHQRIFH WTNVILGFGD DATA SEQUENCE PDLATDFDEF MQVSADIGAY ATALAEDRRV NHHDDLTSSL VEAEVDGERL DATA SEQUENCE SSREIASFFI LLVVAGNETT RNAITHGVLA LSRYPEQRDR WWSDFDGLAP DATA SEQUENCE TAVEEIVRWA SPVVYMRRTL TQDIELRGTK MAAGDKVSLW YCSANRDESK DATA SEQUENCE FADPWTFDLA RNPNPHLGFG GGGAHFCLGA NLARREIRVA FDELRRQMPD DATA SEQUENCE VVATEEPARL LSQFIHGIKT LPVTWS 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.866 176.870 -0.007 0.000 1.165 3 L CA 0.000 54.843 54.840 0.005 0.000 0.813 3 L CB 0.000 42.065 42.059 0.009 0.000 0.961 4 N N 0.234 118.930 118.700 -0.006 0.000 2.804 4 N HA -0.320 4.497 4.740 0.128 0.000 0.220 4 N C 1.014 176.514 175.510 -0.016 0.000 0.878 4 N CA 2.630 55.674 53.050 -0.011 0.000 1.387 4 N CB -1.199 37.282 38.487 -0.011 0.000 0.940 4 N HN 0.430 nan 8.380 nan 0.000 0.592 5 T N -2.512 112.029 114.554 -0.022 0.000 3.035 5 T HA 0.444 4.871 4.350 0.128 0.000 0.268 5 T C 0.989 175.678 174.700 -0.019 0.000 1.109 5 T CA 0.668 62.752 62.100 -0.027 0.000 1.119 5 T CB -0.386 68.457 68.868 -0.042 0.000 0.900 5 T HN 0.702 nan 8.240 nan 0.000 0.503 6 A N 1.459 124.271 122.820 -0.013 0.000 2.425 6 A HA 0.511 4.907 4.320 0.128 0.000 0.242 6 A C 0.536 178.111 177.584 -0.015 0.000 1.077 6 A CA -0.696 51.336 52.037 -0.009 0.000 0.781 6 A CB -0.268 18.730 19.000 -0.003 0.000 1.020 6 A HN 0.582 nan 8.150 nan 0.000 0.494 7 I N 0.787 121.345 120.570 -0.019 0.000 3.055 7 I HA 0.029 4.275 4.170 0.128 0.000 0.308 7 I C 1.138 177.235 176.117 -0.034 0.000 1.224 7 I CA 0.227 61.509 61.300 -0.029 0.000 1.443 7 I CB 0.437 38.412 38.000 -0.042 0.000 1.318 7 I HN 0.836 nan 8.210 nan 0.000 0.577 8 A N 6.244 129.043 122.820 -0.034 0.000 2.498 8 A HA 0.179 4.575 4.320 0.128 0.000 0.239 8 A C 0.423 177.974 177.584 -0.055 0.000 1.068 8 A CA -0.027 51.990 52.037 -0.033 0.000 0.766 8 A CB 0.076 19.062 19.000 -0.024 0.000 1.003 8 A HN 0.820 nan 8.150 nan 0.000 0.497 9 T N 0.885 115.411 114.554 -0.046 0.000 2.795 9 T HA 0.352 4.779 4.350 0.128 0.000 0.314 9 T C 0.453 175.121 174.700 -0.053 0.000 1.069 9 T CA 0.371 62.435 62.100 -0.062 0.000 1.071 9 T CB 0.081 68.937 68.868 -0.019 0.000 0.988 9 T HN 0.696 nan 8.240 nan 0.000 0.543 10 R N 1.144 121.605 120.500 -0.065 0.000 2.673 10 R HA 0.515 4.931 4.340 0.128 0.000 0.281 10 R C -1.319 175.101 176.300 0.200 0.000 0.991 10 R CA -0.706 55.416 56.100 0.037 0.000 0.896 10 R CB 1.270 31.567 30.300 -0.006 0.000 1.201 10 R HN 0.449 nan 8.270 nan 0.000 0.457 11 V N 3.926 123.953 119.914 0.188 0.000 2.599 11 V HA -0.029 4.167 4.120 0.128 0.000 0.300 11 V C 0.611 176.869 176.094 0.273 0.000 1.034 11 V CA 0.017 62.436 62.300 0.197 0.000 1.115 11 V CB 0.471 32.364 31.823 0.118 0.000 0.934 11 V HN 0.667 nan 8.190 nan 0.000 0.485 12 N N 3.148 121.953 118.700 0.175 0.000 2.518 12 N HA 0.300 5.117 4.740 0.128 0.000 0.266 12 N C 0.996 176.520 175.510 0.025 0.000 1.196 12 N CA 1.223 54.238 53.050 -0.059 0.000 0.947 12 N CB 1.264 39.620 38.487 -0.219 0.000 1.098 12 N HN 1.043 nan 8.380 nan 0.000 0.450 13 G N 1.314 110.155 108.800 0.068 0.000 2.132 13 G HA2 -0.239 3.797 3.960 0.128 0.000 0.234 13 G HA3 -0.239 3.797 3.960 0.128 0.000 0.234 13 G C 0.072 175.097 174.900 0.209 0.000 0.989 13 G CA 0.297 45.503 45.100 0.177 0.000 0.676 13 G HN 0.646 nan 8.290 nan 0.000 0.522 14 T N 3.748 118.414 114.554 0.186 0.000 2.769 14 T HA 0.464 4.890 4.350 0.128 0.000 0.293 14 T C -1.324 173.346 174.700 -0.050 0.000 0.931 14 T CA -0.057 62.097 62.100 0.089 0.000 1.139 14 T CB 1.543 70.477 68.868 0.110 0.000 0.881 14 T HN 0.340 nan 8.240 nan 0.000 0.532 15 P HA 0.363 nan 4.420 nan 0.000 0.276 15 P C -2.592 174.307 177.300 -0.668 0.000 1.244 15 P CA -1.743 60.871 63.100 -0.810 0.000 0.801 15 P CB 0.084 31.478 31.700 -0.511 0.000 1.006 16 P HA 0.239 nan 4.420 nan 0.000 0.274 16 P C -2.221 174.892 177.300 -0.311 0.000 1.246 16 P CA -1.414 61.362 63.100 -0.539 0.000 0.795 16 P CB -1.168 30.175 31.700 -0.595 0.000 1.006 17 P HA 0.028 nan 4.420 nan 0.000 0.268 17 P C -0.065 177.165 177.300 -0.116 0.000 1.208 17 P CA 0.216 63.238 63.100 -0.131 0.000 0.777 17 P CB 0.268 31.907 31.700 -0.102 0.000 0.875 18 E N 1.526 121.676 120.200 -0.083 0.000 2.351 18 E HA 0.169 4.596 4.350 0.128 0.000 0.266 18 E C -1.147 175.421 176.600 -0.052 0.000 1.031 18 E CA -0.008 56.356 56.400 -0.059 0.000 0.911 18 E CB -0.183 29.491 29.700 -0.043 0.000 0.986 18 E HN 0.101 nan 8.360 nan 0.000 0.446 19 V N 8.322 128.209 119.914 -0.046 0.000 2.325 19 V HA 0.329 4.525 4.120 0.128 0.000 0.280 19 V C -2.156 173.918 176.094 -0.033 0.000 1.016 19 V CA -1.998 60.277 62.300 -0.043 0.000 0.818 19 V CB 1.291 33.084 31.823 -0.049 0.000 1.019 19 V HN 0.772 nan 8.190 nan 0.000 0.434 20 P HA 0.148 nan 4.420 nan 0.000 0.266 20 P C 1.169 178.453 177.300 -0.026 0.000 1.195 20 P CA 0.129 63.215 63.100 -0.023 0.000 0.768 20 P CB 0.986 32.673 31.700 -0.021 0.000 0.838 21 I N 2.586 123.144 120.570 -0.021 0.000 2.335 21 I HA -0.317 3.930 4.170 0.128 0.000 0.251 21 I C 1.850 177.956 176.117 -0.019 0.000 1.129 21 I CA 1.675 62.963 61.300 -0.020 0.000 1.402 21 I CB -0.203 37.791 38.000 -0.010 0.000 1.069 21 I HN 0.385 nan 8.210 nan 0.000 0.424 22 A N -0.347 122.461 122.820 -0.021 0.000 2.125 22 A HA -0.213 4.184 4.320 0.128 0.000 0.219 22 A C 1.670 179.243 177.584 -0.019 0.000 1.156 22 A CA 1.856 53.880 52.037 -0.021 0.000 0.671 22 A CB -0.477 18.511 19.000 -0.020 0.000 0.794 22 A HN 0.476 nan 8.150 nan 0.000 0.459 23 D N -0.596 119.791 120.400 -0.022 0.000 2.339 23 D HA 0.184 4.901 4.640 0.128 0.000 0.217 23 D C 0.080 176.364 176.300 -0.027 0.000 1.050 23 D CA 0.258 54.248 54.000 -0.018 0.000 0.856 23 D CB 0.152 40.942 40.800 -0.016 0.000 0.922 23 D HN 0.440 nan 8.370 nan 0.000 0.518 24 I N 1.277 121.800 120.570 -0.078 0.000 2.312 24 I HA 0.196 4.443 4.170 0.128 0.000 0.290 24 I C 0.046 175.995 176.117 -0.281 0.000 1.008 24 I CA -0.464 60.678 61.300 -0.263 0.000 1.226 24 I CB 1.273 39.095 38.000 -0.298 0.000 1.371 24 I HN -0.320 nan 8.210 nan 0.000 0.468 25 E N 6.626 126.509 120.200 -0.528 0.000 2.731 25 E HA 0.289 4.716 4.350 0.128 0.000 0.248 25 E C 0.298 176.484 176.600 -0.690 0.000 1.084 25 E CA -0.263 55.931 56.400 -0.342 0.000 0.776 25 E CB 0.656 30.316 29.700 -0.067 0.000 1.404 25 E HN 0.579 nan 8.360 nan 0.000 0.395 26 L N 1.411 121.944 121.223 -1.149 0.000 2.187 26 L HA 0.000 4.417 4.340 0.128 0.000 0.213 26 L C 1.772 178.583 176.870 -0.099 0.000 1.100 26 L CA 1.442 55.717 54.840 -0.941 0.000 0.765 26 L CB -0.081 41.096 42.059 -1.471 0.000 0.904 26 L HN 0.554 nan 8.230 nan 0.000 0.437 27 G N -1.148 107.655 108.800 0.006 0.000 3.088 27 G HA2 -0.020 4.017 3.960 0.128 0.000 0.212 27 G HA3 -0.020 4.017 3.960 0.128 0.000 0.212 27 G C 0.487 175.472 174.900 0.141 0.000 1.173 27 G CA 0.018 45.203 45.100 0.142 0.000 0.779 27 G HN 0.209 nan 8.290 nan 0.000 0.540 28 S N -0.130 115.650 115.700 0.133 0.000 2.451 28 S HA 0.344 4.891 4.470 0.128 0.000 0.301 28 S C 1.144 175.919 174.600 0.291 0.000 1.116 28 S CA -0.779 57.517 58.200 0.159 0.000 1.093 28 S CB 1.292 64.553 63.200 0.101 0.000 1.017 28 S HN -0.003 nan 8.310 nan 0.000 0.482 29 L N 4.153 125.534 121.223 0.264 0.000 2.187 29 L HA -0.038 4.378 4.340 0.128 0.000 0.213 29 L C 1.591 178.619 176.870 0.263 0.000 1.100 29 L CA 1.932 56.962 54.840 0.317 0.000 0.765 29 L CB -0.532 41.636 42.059 0.181 0.000 0.904 29 L HN 0.696 nan 8.230 nan 0.000 0.437 30 D N -1.595 118.900 120.400 0.159 0.000 2.219 30 D HA -0.221 4.495 4.640 0.128 0.000 0.205 30 D C 1.970 178.291 176.300 0.034 0.000 0.970 30 D CA 0.912 54.964 54.000 0.086 0.000 0.851 30 D CB -0.139 40.695 40.800 0.057 0.000 0.943 30 D HN 0.391 nan 8.370 nan 0.000 0.488 31 F N -0.004 119.862 119.950 -0.140 0.000 2.146 31 F HA -0.143 4.460 4.527 0.127 0.000 0.298 31 F C 1.645 177.144 175.800 -0.502 0.000 1.096 31 F CA 1.222 58.992 58.000 -0.382 0.000 1.275 31 F CB -0.462 38.189 39.000 -0.582 0.000 1.008 31 F HN -0.080 nan 8.300 nan 0.000 0.480 32 W N 0.337 121.626 121.300 -0.018 0.000 2.421 32 W HA 0.017 4.756 4.660 0.131 0.000 0.270 32 W C 2.461 178.931 176.519 -0.083 0.000 1.233 32 W CA 1.073 58.384 57.345 -0.057 0.000 1.226 32 W CB -0.930 28.591 29.460 0.102 0.000 1.121 32 W HN 0.104 nan 8.180 nan 0.000 0.579 33 A N 0.187 123.039 122.820 0.053 0.000 2.015 33 A HA 0.011 4.408 4.320 0.128 0.000 0.219 33 A C 1.083 178.613 177.584 -0.089 0.000 1.163 33 A CA 0.485 52.526 52.037 0.008 0.000 0.646 33 A CB -0.773 18.237 19.000 0.016 0.000 0.806 33 A HN 0.133 nan 8.150 nan 0.000 0.448 34 L N 1.173 122.251 121.223 -0.241 0.000 2.467 34 L HA 0.146 4.563 4.340 0.128 0.000 0.270 34 L C 0.348 177.101 176.870 -0.194 0.000 1.205 34 L CA -0.496 54.193 54.840 -0.252 0.000 0.828 34 L CB 0.168 41.982 42.059 -0.409 0.000 1.101 34 L HN 0.517 nan 8.230 nan 0.000 0.479 35 D N -0.461 119.863 120.400 -0.127 0.000 2.362 35 D HA -0.044 4.672 4.640 0.128 0.000 0.238 35 D C 0.391 176.641 176.300 -0.082 0.000 1.212 35 D CA -0.440 53.517 54.000 -0.071 0.000 0.902 35 D CB 0.565 41.342 40.800 -0.039 0.000 1.180 35 D HN 0.406 nan 8.370 nan 0.000 0.445 36 D N -0.015 120.380 120.400 -0.007 0.000 2.158 36 D HA -0.155 4.561 4.640 0.128 0.000 0.197 36 D C 1.192 177.465 176.300 -0.045 0.000 0.995 36 D CA 1.116 55.119 54.000 0.006 0.000 0.846 36 D CB -0.218 40.645 40.800 0.105 0.000 0.941 36 D HN 0.433 nan 8.370 nan 0.000 0.456 37 D N -0.407 119.962 120.400 -0.052 0.000 2.117 37 D HA -0.096 4.621 4.640 0.128 0.000 0.197 37 D C 2.228 178.460 176.300 -0.114 0.000 0.987 37 D CA 0.465 54.415 54.000 -0.084 0.000 0.829 37 D CB -0.231 40.525 40.800 -0.074 0.000 0.961 37 D HN 0.112 nan 8.370 nan 0.000 0.460 38 V N 0.665 120.504 119.914 -0.126 0.000 2.379 38 V HA -0.161 4.036 4.120 0.128 0.000 0.245 38 V C 2.526 178.519 176.094 -0.168 0.000 1.044 38 V CA 1.284 63.496 62.300 -0.148 0.000 1.036 38 V CB -0.420 31.300 31.823 -0.172 0.000 0.664 38 V HN 0.124 nan 8.190 nan 0.000 0.453 39 R N 0.288 120.646 120.500 -0.237 0.000 2.094 39 R HA -0.239 4.178 4.340 0.128 0.000 0.239 39 R C 2.069 178.428 176.300 0.098 0.000 1.137 39 R CA 2.399 58.379 56.100 -0.199 0.000 0.943 39 R CB -0.455 29.706 30.300 -0.232 0.000 0.850 39 R HN 0.493 nan 8.270 nan 0.000 0.433 40 D N -0.822 119.620 120.400 0.071 0.000 2.117 40 D HA -0.102 4.615 4.640 0.128 0.000 0.197 40 D C 1.725 178.118 176.300 0.156 0.000 0.987 40 D CA 1.519 55.626 54.000 0.179 0.000 0.829 40 D CB -0.565 40.294 40.800 0.098 0.000 0.961 40 D HN 0.525 nan 8.370 nan 0.000 0.460 41 G N 0.808 109.599 108.800 -0.015 0.000 2.418 41 G HA2 -0.199 3.837 3.960 0.128 0.000 0.217 41 G HA3 -0.199 3.837 3.960 0.128 0.000 0.217 41 G C 1.729 176.631 174.900 0.002 0.000 1.158 41 G CA 1.315 46.386 45.100 -0.047 0.000 0.771 41 G HN 0.399 nan 8.290 nan 0.000 0.545 42 A N 0.383 123.191 122.820 -0.020 0.000 1.902 42 A HA 0.128 4.525 4.320 0.128 0.000 0.217 42 A C 2.174 179.636 177.584 -0.203 0.000 1.181 42 A CA 1.388 53.357 52.037 -0.114 0.000 0.623 42 A CB -0.545 18.408 19.000 -0.079 0.000 0.818 42 A HN 0.296 nan 8.150 nan 0.000 0.443 43 F N 0.181 120.131 119.950 0.000 0.000 2.234 43 F HA -0.034 4.569 4.527 0.126 0.000 0.299 43 F C 2.755 178.604 175.800 0.082 0.000 1.087 43 F CA 0.810 58.816 58.000 0.010 0.000 1.340 43 F CB -0.454 38.561 39.000 0.024 0.000 1.031 43 F HN 0.260 nan 8.300 nan 0.000 0.500 44 A N -0.258 122.738 122.820 0.295 0.000 1.883 44 A HA -0.219 4.178 4.320 0.128 0.000 0.217 44 A C 2.271 179.946 177.584 0.152 0.000 1.186 44 A CA 2.470 54.664 52.037 0.262 0.000 0.624 44 A CB -1.351 17.810 19.000 0.268 0.000 0.822 44 A HN 0.336 nan 8.150 nan 0.000 0.444 45 T N 0.692 115.294 114.554 0.079 0.000 2.708 45 T HA -0.119 4.308 4.350 0.128 0.000 0.266 45 T C 1.818 176.547 174.700 0.047 0.000 1.037 45 T CA 1.585 63.709 62.100 0.040 0.000 1.146 45 T CB -0.489 68.375 68.868 -0.007 0.000 0.865 45 T HN 0.406 nan 8.240 nan 0.000 0.435 46 L N 0.337 121.574 121.223 0.023 0.000 2.042 46 L HA -0.125 4.292 4.340 0.128 0.000 0.210 46 L C 2.893 179.836 176.870 0.121 0.000 1.076 46 L CA 1.482 56.357 54.840 0.058 0.000 0.749 46 L CB -0.628 41.430 42.059 -0.001 0.000 0.893 46 L HN 0.160 nan 8.230 nan 0.000 0.432 47 R N -0.386 120.207 120.500 0.155 0.000 2.092 47 R HA -0.136 4.281 4.340 0.128 0.000 0.231 47 R C 2.500 178.879 176.300 0.132 0.000 1.119 47 R CA 1.178 57.380 56.100 0.171 0.000 0.970 47 R CB -0.189 30.228 30.300 0.195 0.000 0.864 47 R HN 0.321 nan 8.270 nan 0.000 0.440 48 R N 0.837 121.406 120.500 0.115 0.000 2.055 48 R HA -0.081 4.336 4.340 0.128 0.000 0.226 48 R C 1.479 177.823 176.300 0.073 0.000 1.135 48 R CA 1.423 57.578 56.100 0.090 0.000 0.959 48 R CB 0.178 30.529 30.300 0.085 0.000 0.854 48 R HN 0.215 nan 8.270 nan 0.000 0.431 49 E N -1.324 118.916 120.200 0.066 0.000 2.364 49 E HA 0.111 4.537 4.350 0.128 0.000 0.196 49 E C -0.277 176.357 176.600 0.056 0.000 0.990 49 E CA 0.383 56.813 56.400 0.050 0.000 0.886 49 E CB 1.086 30.807 29.700 0.035 0.000 0.866 49 E HN 0.265 nan 8.360 nan 0.000 0.493 50 A N 1.567 124.435 122.820 0.079 0.000 3.422 50 A HA 0.237 4.634 4.320 0.128 0.000 0.271 50 A C -2.208 175.463 177.584 0.145 0.000 1.104 50 A CA -0.867 51.228 52.037 0.097 0.000 0.899 50 A CB 0.338 19.387 19.000 0.082 0.000 1.309 50 A HN -0.108 nan 8.150 nan 0.000 0.580 51 P HA -0.087 nan 4.420 nan 0.000 0.215 51 P C 0.373 177.804 177.300 0.218 0.000 1.153 51 P CA 1.256 64.458 63.100 0.170 0.000 0.853 51 P CB 0.172 31.953 31.700 0.137 0.000 0.788 52 I N -0.101 120.596 120.570 0.211 0.000 2.389 52 I HA 0.224 4.470 4.170 0.128 0.000 0.288 52 I C 0.065 176.383 176.117 0.336 0.000 0.999 52 I CA -0.540 60.934 61.300 0.290 0.000 1.129 52 I CB 1.709 39.833 38.000 0.208 0.000 1.288 52 I HN -0.065 nan 8.210 nan 0.000 0.444 53 S N 5.087 121.034 115.700 0.411 0.000 2.588 53 S HA 0.639 5.185 4.470 0.128 0.000 0.275 53 S C -1.008 173.633 174.600 0.068 0.000 1.130 53 S CA -0.799 57.539 58.200 0.230 0.000 0.855 53 S CB 2.475 65.717 63.200 0.071 0.000 1.116 53 S HN 0.398 nan 8.310 nan 0.000 0.472 54 F N 0.918 120.515 119.950 -0.588 0.000 2.425 54 F HA 0.788 5.390 4.527 0.125 0.000 0.331 54 F C -1.542 173.521 175.800 -1.228 0.000 1.085 54 F CA -0.474 56.981 58.000 -0.908 0.000 1.028 54 F CB 1.129 39.440 39.000 -1.148 0.000 1.177 54 F HN 0.713 nan 8.300 nan 0.000 0.487 55 W N 5.300 125.865 121.300 -1.225 0.000 3.129 55 W HA 0.441 5.176 4.660 0.125 0.000 0.333 55 W C -2.642 173.398 176.519 -0.799 0.000 1.141 55 W CA -2.036 54.819 57.345 -0.815 0.000 1.224 55 W CB 0.977 29.987 29.460 -0.750 0.000 1.393 55 W HN 0.320 nan 8.180 nan 0.000 0.499 56 P HA 0.048 nan 4.420 nan 0.000 0.269 56 P C 0.213 177.543 177.300 0.051 0.000 1.209 56 P CA 0.131 63.221 63.100 -0.017 0.000 0.776 56 P CB 0.714 32.441 31.700 0.045 0.000 0.876 57 T N 2.570 117.167 114.554 0.072 0.000 2.897 57 T HA 0.305 4.732 4.350 0.128 0.000 0.294 57 T C 0.468 175.211 174.700 0.072 0.000 1.004 57 T CA -0.691 61.475 62.100 0.110 0.000 1.106 57 T CB -0.274 68.637 68.868 0.071 0.000 0.949 57 T HN 0.137 nan 8.240 nan 0.000 0.520 58 I N 3.608 124.218 120.570 0.067 0.000 2.845 58 I HA 0.174 4.420 4.170 0.128 0.000 0.296 58 I C 1.972 178.113 176.117 0.041 0.000 1.216 58 I CA 0.412 61.750 61.300 0.063 0.000 1.438 58 I CB -0.033 38.005 38.000 0.063 0.000 1.342 58 I HN 1.057 nan 8.210 nan 0.000 0.577 59 E N 7.228 127.461 120.200 0.055 0.000 1.996 59 E HA -0.081 4.345 4.350 0.128 0.000 0.197 59 E C 0.930 177.578 176.600 0.080 0.000 1.002 59 E CA 1.157 57.590 56.400 0.055 0.000 0.840 59 E CB -0.857 28.875 29.700 0.053 0.000 0.786 59 E HN 0.756 nan 8.360 nan 0.000 0.469 60 L N -2.942 118.338 121.223 0.095 0.000 3.721 60 L HA -0.097 4.320 4.340 0.128 0.000 0.511 60 L C -2.617 174.407 176.870 0.256 0.000 1.004 60 L CA -0.245 54.693 54.840 0.164 0.000 0.842 60 L CB -1.766 40.393 42.059 0.168 0.000 0.268 60 L HN 0.223 nan 8.230 nan 0.000 0.925 61 P HA 0.319 nan 4.420 nan 0.000 0.263 61 P C 1.158 178.526 177.300 0.113 0.000 1.195 61 P CA 1.130 64.345 63.100 0.192 0.000 0.762 61 P CB 1.078 32.916 31.700 0.232 0.000 0.799 62 G N 1.523 110.141 108.800 -0.303 0.000 2.234 62 G HA2 -0.245 3.792 3.960 0.128 0.000 0.235 62 G HA3 -0.245 3.792 3.960 0.128 0.000 0.235 62 G C -0.041 173.951 174.900 -1.513 0.000 0.997 62 G CA -0.482 43.879 45.100 -1.232 0.000 0.623 62 G HN 0.411 nan 8.290 nan 0.000 0.514 63 F N 0.160 119.772 119.950 -0.563 0.000 2.408 63 F HA 0.670 5.269 4.527 0.120 0.000 0.325 63 F C 0.678 176.343 175.800 -0.226 0.000 1.082 63 F CA -0.838 56.952 58.000 -0.351 0.000 1.032 63 F CB 1.862 40.727 39.000 -0.226 0.000 1.259 63 F HN -0.031 nan 8.300 nan 0.000 0.503 64 V N 2.358 122.295 119.914 0.037 0.000 2.334 64 V HA 0.357 4.554 4.120 0.128 0.000 0.281 64 V C 0.583 176.691 176.094 0.022 0.000 1.016 64 V CA -0.470 61.826 62.300 -0.007 0.000 0.832 64 V CB 0.624 32.427 31.823 -0.033 0.000 0.999 64 V HN 0.987 nan 8.190 nan 0.000 0.439 65 A N 4.143 126.973 122.820 0.017 0.000 1.858 65 A HA 0.319 4.716 4.320 0.128 0.000 0.216 65 A C 1.766 179.358 177.584 0.014 0.000 1.190 65 A CA 1.617 53.664 52.037 0.016 0.000 0.617 65 A CB -0.953 18.061 19.000 0.024 0.000 0.827 65 A HN 1.810 nan 8.150 nan 0.000 0.443 66 G N -0.433 108.377 108.800 0.016 0.000 2.574 66 G HA2 -0.282 3.755 3.960 0.128 0.000 0.282 66 G HA3 -0.282 3.755 3.960 0.128 0.000 0.282 66 G C -0.139 174.785 174.900 0.040 0.000 1.257 66 G CA 0.082 45.195 45.100 0.022 0.000 0.956 66 G HN 0.740 nan 8.290 nan 0.000 0.560 67 N N 1.375 120.108 118.700 0.055 0.000 2.415 67 N HA 0.452 5.269 4.740 0.128 0.000 0.248 67 N C 1.019 176.586 175.510 0.095 0.000 1.271 67 N CA 0.683 53.791 53.050 0.098 0.000 0.913 67 N CB 0.295 38.853 38.487 0.118 0.000 1.129 67 N HN 1.046 nan 8.380 nan 0.000 0.444 68 G N -0.762 108.119 108.800 0.135 0.000 2.509 68 G HA2 0.294 4.331 3.960 0.128 0.000 0.269 68 G HA3 0.294 4.331 3.960 0.128 0.000 0.269 68 G C -0.545 174.112 174.900 -0.405 0.000 1.416 68 G CA -0.183 44.787 45.100 -0.217 0.000 1.052 68 G HN 0.806 nan 8.290 nan 0.000 0.542 69 H N -2.822 115.665 119.070 -0.972 0.000 3.012 69 H HA 0.253 4.885 4.556 0.127 0.000 0.367 69 H C -1.884 173.116 175.328 -0.547 0.000 1.211 69 H CA -1.477 54.278 56.048 -0.489 0.000 1.139 69 H CB 0.637 30.311 29.762 -0.147 0.000 1.838 69 H HN 0.545 nan 8.280 nan 0.000 0.550 70 W N 1.839 123.202 121.300 0.105 0.000 2.387 70 W HA 0.557 5.291 4.660 0.124 0.000 0.310 70 W C 0.136 176.879 176.519 0.374 0.000 1.181 70 W CA -0.549 56.936 57.345 0.232 0.000 1.333 70 W CB 1.044 30.682 29.460 0.297 0.000 1.286 70 W HN 0.745 nan 8.180 nan 0.000 0.455 71 A N 5.517 128.740 122.820 0.672 0.000 2.302 71 A HA 0.516 4.912 4.320 0.128 0.000 0.295 71 A C -0.508 177.459 177.584 0.638 0.000 1.235 71 A CA -0.596 51.924 52.037 0.806 0.000 0.876 71 A CB 0.120 19.509 19.000 0.648 0.000 1.133 71 A HN 0.705 nan 8.150 nan 0.000 0.533 72 L N 3.733 125.308 121.223 0.586 0.000 2.261 72 L HA 0.267 4.684 4.340 0.128 0.000 0.289 72 L C 1.313 178.461 176.870 0.464 0.000 1.059 72 L CA -0.112 54.975 54.840 0.411 0.000 0.816 72 L CB 0.952 43.157 42.059 0.244 0.000 1.191 72 L HN 0.965 nan 8.230 nan 0.000 0.431 73 T N -1.834 112.954 114.554 0.390 0.000 3.001 73 T HA 0.161 4.588 4.350 0.128 0.000 0.251 73 T C 0.768 175.642 174.700 0.290 0.000 1.040 73 T CA -0.309 62.018 62.100 0.379 0.000 0.985 73 T CB 0.336 69.427 68.868 0.372 0.000 1.011 73 T HN 0.178 nan 8.240 nan 0.000 0.509 74 K N 1.345 121.897 120.400 0.254 0.000 2.174 74 K HA 0.274 4.671 4.320 0.128 0.000 0.275 74 K C 0.355 177.110 176.600 0.259 0.000 1.015 74 K CA -0.585 55.847 56.287 0.241 0.000 0.933 74 K CB 1.273 33.894 32.500 0.201 0.000 1.025 74 K HN 0.169 nan 8.250 nan 0.000 0.463 75 Y N 2.895 123.295 120.300 0.165 0.000 2.040 75 Y HA -0.373 4.255 4.550 0.130 0.000 0.275 75 Y C 1.385 177.393 175.900 0.180 0.000 1.171 75 Y CA 2.163 60.367 58.100 0.174 0.000 1.123 75 Y CB 0.197 38.730 38.460 0.122 0.000 0.963 75 Y HN 0.643 nan 8.280 nan 0.000 0.493 76 D N 0.077 120.755 120.400 0.463 0.000 2.149 76 D HA -0.176 4.541 4.640 0.128 0.000 0.198 76 D C 1.703 178.188 176.300 0.308 0.000 0.990 76 D CA 1.645 55.865 54.000 0.368 0.000 0.839 76 D CB -0.431 40.500 40.800 0.219 0.000 0.948 76 D HN 0.511 nan 8.370 nan 0.000 0.460 77 D N 0.052 120.583 120.400 0.219 0.000 2.117 77 D HA -0.079 4.638 4.640 0.128 0.000 0.198 77 D C 2.333 178.705 176.300 0.120 0.000 0.982 77 D CA 0.348 54.450 54.000 0.170 0.000 0.828 77 D CB -0.367 40.516 40.800 0.138 0.000 0.967 77 D HN 0.094 nan 8.370 nan 0.000 0.464 78 V N 1.055 121.029 119.914 0.100 0.000 2.332 78 V HA -0.239 3.958 4.120 0.128 0.000 0.248 78 V C 2.194 178.310 176.094 0.036 0.000 1.055 78 V CA 1.339 63.650 62.300 0.018 0.000 1.038 78 V CB -0.600 31.231 31.823 0.013 0.000 0.651 78 V HN 0.075 nan 8.190 nan 0.000 0.450 79 F N -0.134 119.779 119.950 -0.061 0.000 2.113 79 F HA -0.225 4.380 4.527 0.130 0.000 0.297 79 F C 2.326 178.158 175.800 0.054 0.000 1.103 79 F CA 1.938 59.921 58.000 -0.027 0.000 1.248 79 F CB -0.470 38.534 39.000 0.005 0.000 0.999 79 F HN 0.217 nan 8.300 nan 0.000 0.475 80 Y N 0.727 121.118 120.300 0.152 0.000 2.181 80 Y HA -0.180 4.447 4.550 0.128 0.000 0.288 80 Y C 2.349 178.223 175.900 -0.043 0.000 1.146 80 Y CA 1.709 59.883 58.100 0.123 0.000 1.164 80 Y CB -0.844 37.699 38.460 0.138 0.000 0.982 80 Y HN 0.107 nan 8.280 nan 0.000 0.515 81 A N -0.725 121.923 122.820 -0.286 0.000 1.902 81 A HA -0.171 4.226 4.320 0.128 0.000 0.217 81 A C 2.368 179.699 177.584 -0.423 0.000 1.181 81 A CA 1.931 53.432 52.037 -0.895 0.000 0.623 81 A CB -1.136 17.126 19.000 -1.229 0.000 0.818 81 A HN 0.494 nan 8.150 nan 0.000 0.443 82 S N -0.061 115.472 115.700 -0.278 0.000 2.400 82 S HA -0.132 4.415 4.470 0.128 0.000 0.232 82 S C 1.796 176.253 174.600 -0.239 0.000 1.025 82 S CA 1.262 59.350 58.200 -0.187 0.000 0.993 82 S CB -0.230 62.880 63.200 -0.150 0.000 0.808 82 S HN 0.541 nan 8.310 nan 0.000 0.478 83 R N 0.642 120.905 120.500 -0.395 0.000 2.317 83 R HA 0.176 4.593 4.340 0.128 0.000 0.208 83 R C -0.279 175.625 176.300 -0.661 0.000 0.914 83 R CA 0.358 56.145 56.100 -0.521 0.000 1.060 83 R CB -0.415 29.477 30.300 -0.680 0.000 1.015 83 R HN 0.500 nan 8.270 nan 0.000 0.498 84 H N 0.815 119.736 119.070 -0.248 0.000 2.317 84 H HA 0.189 4.821 4.556 0.126 0.000 0.231 84 H C -1.642 173.733 175.328 0.078 0.000 1.442 84 H CA -1.514 54.468 56.048 -0.111 0.000 1.336 84 H CB 1.089 30.725 29.762 -0.209 0.000 1.533 84 H HN -0.040 nan 8.280 nan 0.000 0.522 85 P HA -0.092 nan 4.420 nan 0.000 0.229 85 P C 0.404 177.773 177.300 0.114 0.000 1.160 85 P CA 0.789 63.960 63.100 0.118 0.000 0.777 85 P CB 0.692 32.429 31.700 0.062 0.000 0.814 86 D N -0.235 120.220 120.400 0.091 0.000 2.264 86 D HA -0.031 4.686 4.640 0.128 0.000 0.208 86 D C 1.995 178.331 176.300 0.060 0.000 0.966 86 D CA 0.891 54.932 54.000 0.068 0.000 0.864 86 D CB -0.166 40.669 40.800 0.058 0.000 0.933 86 D HN 0.313 nan 8.370 nan 0.000 0.499 87 I N -1.316 119.305 120.570 0.085 0.000 2.899 87 I HA 0.006 4.252 4.170 0.128 0.000 0.257 87 I C 0.177 176.217 176.117 -0.128 0.000 1.115 87 I CA 0.205 61.480 61.300 -0.041 0.000 1.451 87 I CB 0.180 38.148 38.000 -0.053 0.000 1.251 87 I HN -0.225 nan 8.210 nan 0.000 0.456 88 F N 1.944 121.935 119.950 0.068 0.000 2.334 88 F HA 0.283 4.885 4.527 0.126 0.000 0.365 88 F C 0.734 176.562 175.800 0.046 0.000 1.124 88 F CA -0.402 57.637 58.000 0.065 0.000 1.166 88 F CB 0.862 39.902 39.000 0.066 0.000 1.355 88 F HN -0.152 nan 8.300 nan 0.000 0.532 89 S N 1.285 117.086 115.700 0.169 0.000 2.585 89 S HA 0.250 4.797 4.470 0.128 0.000 0.277 89 S C 1.059 175.717 174.600 0.097 0.000 1.241 89 S CA -0.560 57.719 58.200 0.132 0.000 1.041 89 S CB 1.335 64.614 63.200 0.131 0.000 0.987 89 S HN 0.522 nan 8.310 nan 0.000 0.512 90 S N 2.269 118.000 115.700 0.051 0.000 2.558 90 S HA 0.129 4.676 4.470 0.128 0.000 0.217 90 S C -0.234 174.378 174.600 0.019 0.000 0.975 90 S CA -0.075 58.092 58.200 -0.054 0.000 0.912 90 S CB -0.263 62.757 63.200 -0.301 0.000 0.776 90 S HN 0.729 nan 8.310 nan 0.000 0.526 91 Y N 3.449 123.743 120.300 -0.010 0.000 2.308 91 Y HA 0.398 4.961 4.550 0.022 0.000 0.329 91 Y C -2.229 173.680 175.900 0.015 0.000 1.111 91 Y CA -2.096 56.008 58.100 0.007 0.000 1.179 91 Y CB 1.419 39.892 38.460 0.021 0.000 1.201 91 Y HN -0.034 nan 8.280 nan 0.000 0.483 92 P HA 0.176 nan 4.420 nan 0.000 0.267 92 P C -1.053 175.996 177.300 -0.419 0.000 1.289 92 P CA 0.442 62.890 63.100 -1.088 0.000 0.866 92 P CB 0.572 31.607 31.700 -1.108 0.000 1.309 93 N N 0.430 118.990 118.700 -0.232 0.000 2.636 93 N HA 0.193 5.010 4.740 0.128 0.000 0.261 93 N C -0.184 175.247 175.510 -0.132 0.000 1.195 93 N CA -0.484 52.473 53.050 -0.155 0.000 0.902 93 N CB 1.134 39.534 38.487 -0.146 0.000 1.627 93 N HN -0.260 nan 8.380 nan 0.000 0.491 94 I N -1.324 119.159 120.570 -0.145 0.000 4.082 94 I HA 0.341 4.588 4.170 0.128 0.000 0.337 94 I C 0.675 176.651 176.117 -0.235 0.000 1.352 94 I CA -0.107 61.102 61.300 -0.152 0.000 1.097 94 I CB -0.742 37.178 38.000 -0.133 0.000 1.048 94 I HN 0.438 nan 8.210 nan 0.000 0.393 95 T N -2.030 112.334 114.554 -0.315 0.000 2.927 95 T HA 0.580 5.006 4.350 0.128 0.000 0.281 95 T C 1.220 175.803 174.700 -0.196 0.000 0.998 95 T CA -0.472 61.409 62.100 -0.364 0.000 1.019 95 T CB 1.531 70.029 68.868 -0.616 0.000 1.061 95 T HN 0.125 nan 8.240 nan 0.000 0.518 96 I N 1.061 121.512 120.570 -0.198 0.000 2.252 96 I HA -0.084 4.163 4.170 0.128 0.000 0.245 96 I C 1.333 177.352 176.117 -0.163 0.000 1.102 96 I CA 0.718 61.861 61.300 -0.261 0.000 1.385 96 I CB -0.774 36.944 38.000 -0.470 0.000 1.064 96 I HN 0.799 nan 8.210 nan 0.000 0.414 97 N N 1.564 120.165 118.700 -0.165 0.000 2.395 97 N HA -0.063 4.753 4.740 0.128 0.000 0.246 97 N C -0.643 174.834 175.510 -0.056 0.000 1.246 97 N CA -0.274 52.722 53.050 -0.090 0.000 0.879 97 N CB 0.186 38.618 38.487 -0.091 0.000 1.098 97 N HN -0.021 nan 8.380 nan 0.000 0.444 98 D N 0.529 120.918 120.400 -0.018 0.000 2.443 98 D HA -0.008 4.709 4.640 0.128 0.000 0.239 98 D C 0.048 176.346 176.300 -0.004 0.000 1.136 98 D CA 0.153 54.141 54.000 -0.020 0.000 0.879 98 D CB 0.513 41.308 40.800 -0.009 0.000 1.195 98 D HN 0.557 nan 8.370 nan 0.000 0.443 99 Q N 1.123 120.904 119.800 -0.033 0.000 2.337 99 Q HA 0.256 4.673 4.340 0.128 0.000 0.270 99 Q C -0.537 175.471 176.000 0.012 0.000 1.002 99 Q CA -0.031 55.766 55.803 -0.011 0.000 0.888 99 Q CB 0.471 29.162 28.738 -0.078 0.000 1.222 99 Q HN 0.528 nan 8.270 nan 0.000 0.400 100 T N 1.398 115.984 114.554 0.053 0.000 2.932 100 T HA 0.535 4.962 4.350 0.128 0.000 0.289 100 T C -1.936 172.800 174.700 0.061 0.000 1.039 100 T CA -1.882 60.246 62.100 0.047 0.000 1.024 100 T CB 1.463 70.358 68.868 0.046 0.000 1.090 100 T HN 0.487 nan 8.240 nan 0.000 0.496 101 P HA -0.093 nan 4.420 nan 0.000 0.218 101 P C 0.903 178.225 177.300 0.035 0.000 1.148 101 P CA 1.185 64.307 63.100 0.037 0.000 0.822 101 P CB 0.189 31.903 31.700 0.024 0.000 0.784 102 E N -0.228 120.008 120.200 0.059 0.000 2.077 102 E HA -0.134 4.293 4.350 0.128 0.000 0.193 102 E C 2.050 178.744 176.600 0.157 0.000 0.989 102 E CA 0.846 57.296 56.400 0.083 0.000 0.800 102 E CB -1.198 28.573 29.700 0.119 0.000 0.746 102 E HN 0.113 nan 8.360 nan 0.000 0.452 103 L N 0.514 121.879 121.223 0.236 0.000 2.056 103 L HA -0.011 4.405 4.340 0.128 0.000 0.207 103 L C 2.187 179.261 176.870 0.340 0.000 1.078 103 L CA 1.775 56.870 54.840 0.426 0.000 0.749 103 L CB -1.393 40.903 42.059 0.395 0.000 0.901 103 L HN 0.144 nan 8.230 nan 0.000 0.433 104 A N -1.012 121.911 122.820 0.170 0.000 2.084 104 A HA -0.209 4.188 4.320 0.128 0.000 0.221 104 A C 2.136 179.700 177.584 -0.032 0.000 1.161 104 A CA 1.355 53.449 52.037 0.096 0.000 0.653 104 A CB -0.381 18.658 19.000 0.065 0.000 0.802 104 A HN 0.398 nan 8.150 nan 0.000 0.457 105 E N -1.049 119.038 120.200 -0.187 0.000 2.110 105 E HA -0.179 4.247 4.350 0.128 0.000 0.193 105 E C 1.157 177.378 176.600 -0.632 0.000 0.988 105 E CA 1.443 57.549 56.400 -0.490 0.000 0.804 105 E CB -0.254 28.944 29.700 -0.837 0.000 0.745 105 E HN 0.889 nan 8.360 nan 0.000 0.458 106 Y N -2.574 117.563 120.300 -0.271 0.000 2.444 106 Y HA 0.179 4.810 4.550 0.134 0.000 0.252 106 Y C 0.795 176.307 175.900 -0.646 0.000 1.091 106 Y CA -0.121 57.614 58.100 -0.609 0.000 1.276 106 Y CB 0.449 38.227 38.460 -1.136 0.000 1.170 106 Y HN -0.109 nan 8.280 nan 0.000 0.517 107 F N -0.801 119.252 119.950 0.172 0.000 2.815 107 F HA 0.506 5.101 4.527 0.113 0.000 0.335 107 F C 1.094 176.940 175.800 0.077 0.000 1.179 107 F CA -0.989 57.093 58.000 0.136 0.000 1.204 107 F CB 0.680 39.780 39.000 0.167 0.000 1.050 107 F HN -0.081 nan 8.300 nan 0.000 0.510 108 G N 0.584 109.476 108.800 0.153 0.000 4.464 108 G HA2 0.355 4.391 3.960 0.128 0.000 0.297 108 G HA3 0.355 4.391 3.960 0.128 0.000 0.297 108 G C 0.266 175.211 174.900 0.076 0.000 1.342 108 G CA -0.070 45.096 45.100 0.110 0.000 1.335 108 G HN 0.257 nan 8.290 nan 0.000 0.609 109 S N 0.154 115.896 115.700 0.071 0.000 2.666 109 S HA 0.386 4.932 4.470 0.128 0.000 0.279 109 S C 1.948 176.531 174.600 -0.030 0.000 1.149 109 S CA -0.215 57.969 58.200 -0.026 0.000 1.020 109 S CB 0.805 63.984 63.200 -0.036 0.000 1.127 109 S HN 0.387 nan 8.310 nan 0.000 0.537 110 M N -0.433 119.083 119.600 -0.140 0.000 2.460 110 M HA 0.174 4.731 4.480 0.128 0.000 0.263 110 M C 1.746 178.192 176.300 0.243 0.000 1.071 110 M CA 1.249 56.567 55.300 0.030 0.000 1.096 110 M CB -0.681 31.850 32.600 -0.115 0.000 1.408 110 M HN 0.629 nan 8.290 nan 0.000 0.463 111 I N 1.883 122.527 120.570 0.124 0.000 2.614 111 I HA -0.135 4.112 4.170 0.128 0.000 0.258 111 I C 1.184 177.276 176.117 -0.041 0.000 1.189 111 I CA 0.817 62.170 61.300 0.089 0.000 1.462 111 I CB 0.331 38.359 38.000 0.046 0.000 1.092 111 I HN 0.401 nan 8.210 nan 0.000 0.442 112 V N -1.536 118.401 119.914 0.038 0.000 3.043 112 V HA 0.425 4.622 4.120 0.128 0.000 0.357 112 V C 0.001 176.184 176.094 0.149 0.000 1.372 112 V CA -0.422 61.896 62.300 0.030 0.000 1.214 112 V CB -0.623 31.214 31.823 0.023 0.000 1.224 112 V HN 0.026 nan 8.190 nan 0.000 0.507 113 L N -0.087 121.244 121.223 0.179 0.000 2.333 113 L HA 0.736 5.153 4.340 0.128 0.000 0.263 113 L C -0.592 176.408 176.870 0.217 0.000 1.014 113 L CA -0.613 54.357 54.840 0.217 0.000 0.820 113 L CB 2.258 44.430 42.059 0.188 0.000 1.352 113 L HN 0.108 nan 8.230 nan 0.000 0.421 114 D N -0.402 120.095 120.400 0.161 0.000 2.442 114 D HA 0.266 4.983 4.640 0.128 0.000 0.254 114 D C -0.996 175.377 176.300 0.122 0.000 1.069 114 D CA -0.462 53.614 54.000 0.127 0.000 1.017 114 D CB 1.223 42.075 40.800 0.087 0.000 1.172 114 D HN 0.329 nan 8.370 nan 0.000 0.561 115 D N 0.501 120.956 120.400 0.092 0.000 2.362 115 D HA 0.104 4.821 4.640 0.128 0.000 0.242 115 D C -1.010 175.320 176.300 0.051 0.000 1.132 115 D CA -0.836 53.219 54.000 0.092 0.000 0.907 115 D CB 0.574 41.418 40.800 0.074 0.000 1.195 115 D HN 0.155 nan 8.370 nan 0.000 0.429 116 P HA 0.030 nan 4.420 nan 0.000 0.235 116 P C 1.246 178.573 177.300 0.045 0.000 1.177 116 P CA 0.323 63.447 63.100 0.040 0.000 0.785 116 P CB 0.588 32.300 31.700 0.021 0.000 0.885 117 R N -0.049 120.481 120.500 0.049 0.000 2.105 117 R HA -0.197 4.219 4.340 0.128 0.000 0.239 117 R C 2.641 178.978 176.300 0.062 0.000 1.135 117 R CA 1.359 57.487 56.100 0.047 0.000 0.967 117 R CB -0.794 29.530 30.300 0.040 0.000 0.861 117 R HN 0.287 nan 8.270 nan 0.000 0.442 118 H N -0.136 118.933 119.070 -0.002 0.000 2.319 118 H HA -0.186 4.446 4.556 0.125 0.000 0.299 118 H C 1.829 177.130 175.328 -0.044 0.000 1.092 118 H CA 2.116 58.150 56.048 -0.024 0.000 1.302 118 H CB 0.142 29.885 29.762 -0.032 0.000 1.373 118 H HN 0.215 nan 8.280 nan 0.000 0.497 119 Q N 1.090 120.774 119.800 -0.193 0.000 2.084 119 Q HA -0.087 4.329 4.340 0.128 0.000 0.202 119 Q C 2.623 178.540 176.000 -0.139 0.000 0.978 119 Q CA 1.538 57.205 55.803 -0.226 0.000 0.844 119 Q CB -0.187 28.522 28.738 -0.048 0.000 0.898 119 Q HN 0.475 nan 8.270 nan 0.000 0.426 120 R N -0.639 119.825 120.500 -0.060 0.000 2.081 120 R HA -0.070 4.347 4.340 0.128 0.000 0.235 120 R C 2.376 178.685 176.300 0.014 0.000 1.131 120 R CA 1.445 57.538 56.100 -0.011 0.000 0.960 120 R CB -0.392 29.915 30.300 0.011 0.000 0.856 120 R HN 0.267 nan 8.270 nan 0.000 0.436 121 L N -0.003 121.218 121.223 -0.004 0.000 2.027 121 L HA -0.148 4.268 4.340 0.128 0.000 0.206 121 L C 2.778 179.732 176.870 0.140 0.000 1.074 121 L CA 1.321 56.213 54.840 0.087 0.000 0.745 121 L CB -0.395 41.633 42.059 -0.051 0.000 0.898 121 L HN 0.167 nan 8.230 nan 0.000 0.433 122 R N -0.044 120.399 120.500 -0.095 0.000 2.096 122 R HA -0.144 4.272 4.340 0.128 0.000 0.235 122 R C 2.184 178.516 176.300 0.054 0.000 1.127 122 R CA 1.676 57.742 56.100 -0.057 0.000 0.968 122 R CB -0.110 29.986 30.300 -0.340 0.000 0.861 122 R HN 0.207 nan 8.270 nan 0.000 0.440 123 S N 0.526 116.236 115.700 0.017 0.000 2.547 123 S HA -0.025 4.521 4.470 0.128 0.000 0.235 123 S C 1.608 176.247 174.600 0.066 0.000 0.980 123 S CA 0.632 58.855 58.200 0.038 0.000 0.941 123 S CB -0.133 63.077 63.200 0.016 0.000 0.763 123 S HN 0.331 nan 8.310 nan 0.000 0.532 124 I N 1.000 121.628 120.570 0.097 0.000 2.394 124 I HA -0.099 4.147 4.170 0.128 0.000 0.251 124 I C 1.816 177.957 176.117 0.040 0.000 1.136 124 I CA 1.004 62.344 61.300 0.067 0.000 1.425 124 I CB -0.054 37.991 38.000 0.074 0.000 1.079 124 I HN 0.294 nan 8.210 nan 0.000 0.425 125 V N -4.019 115.950 119.914 0.092 0.000 3.502 125 V HA 0.169 4.366 4.120 0.128 0.000 0.288 125 V C 2.005 178.267 176.094 0.281 0.000 1.461 125 V CA 0.443 62.828 62.300 0.142 0.000 1.029 125 V CB 0.014 31.910 31.823 0.123 0.000 0.843 125 V HN 0.320 nan 8.190 nan 0.000 0.438 126 S N 1.025 116.846 115.700 0.202 0.000 2.423 126 S HA -0.168 4.379 4.470 0.128 0.000 0.231 126 S C 2.019 176.746 174.600 0.211 0.000 1.014 126 S CA 1.435 59.770 58.200 0.225 0.000 0.965 126 S CB -0.629 62.638 63.200 0.112 0.000 0.785 126 S HN 0.645 nan 8.310 nan 0.000 0.495 127 R N 1.490 122.069 120.500 0.131 0.000 2.105 127 R HA -0.010 4.407 4.340 0.128 0.000 0.239 127 R C 2.331 178.662 176.300 0.053 0.000 1.135 127 R CA 1.318 57.465 56.100 0.079 0.000 0.967 127 R CB -0.792 29.536 30.300 0.046 0.000 0.861 127 R HN 0.537 nan 8.270 nan 0.000 0.442 128 A N -0.637 122.200 122.820 0.027 0.000 2.178 128 A HA -0.091 4.306 4.320 0.128 0.000 0.218 128 A C 1.215 178.586 177.584 -0.355 0.000 1.157 128 A CA 0.918 52.846 52.037 -0.181 0.000 0.689 128 A CB -0.249 18.573 19.000 -0.297 0.000 0.787 128 A HN 0.407 nan 8.150 nan 0.000 0.465 129 F N -1.533 118.423 119.950 0.011 0.000 2.682 129 F HA 0.187 4.792 4.527 0.130 0.000 0.308 129 F C 1.279 177.086 175.800 0.012 0.000 1.093 129 F CA -0.119 57.887 58.000 0.010 0.000 1.244 129 F CB -0.029 38.978 39.000 0.012 0.000 1.052 129 F HN -0.103 nan 8.300 nan 0.000 0.573 130 T N 2.639 117.279 114.554 0.143 0.000 2.939 130 T HA -0.024 4.403 4.350 0.128 0.000 0.319 130 T C -1.333 173.402 174.700 0.058 0.000 1.082 130 T CA -0.797 61.356 62.100 0.089 0.000 1.133 130 T CB 1.000 69.904 68.868 0.061 0.000 1.019 130 T HN -0.094 nan 8.240 nan 0.000 0.548 131 P HA -0.098 nan 4.420 nan 0.000 0.216 131 P C 1.665 178.980 177.300 0.026 0.000 1.153 131 P CA 0.987 64.110 63.100 0.038 0.000 0.858 131 P CB 0.162 31.883 31.700 0.034 0.000 0.789 132 K N -0.390 120.023 120.400 0.022 0.000 2.074 132 K HA -0.101 4.296 4.320 0.128 0.000 0.209 132 K C 1.964 178.567 176.600 0.006 0.000 1.048 132 K CA 1.261 57.556 56.287 0.014 0.000 0.926 132 K CB -1.126 31.381 32.500 0.012 0.000 0.713 132 K HN 0.099 nan 8.250 nan 0.000 0.444 133 V N 1.072 120.986 119.914 0.000 0.000 2.407 133 V HA -0.149 4.047 4.120 0.128 0.000 0.245 133 V C 2.412 178.486 176.094 -0.033 0.000 1.041 133 V CA 1.456 63.743 62.300 -0.022 0.000 1.040 133 V CB -0.431 31.370 31.823 -0.037 0.000 0.671 133 V HN 0.186 nan 8.190 nan 0.000 0.455 134 V N 0.103 120.003 119.914 -0.023 0.000 2.594 134 V HA -0.127 4.069 4.120 0.128 0.000 0.253 134 V C 2.402 178.496 176.094 0.000 0.000 1.069 134 V CA 1.987 64.275 62.300 -0.021 0.000 1.082 134 V CB -1.019 30.808 31.823 0.006 0.000 0.680 134 V HN 0.373 nan 8.190 nan 0.000 0.469 135 A N 0.377 123.203 122.820 0.010 0.000 2.019 135 A HA -0.104 4.292 4.320 0.128 0.000 0.219 135 A C 2.367 179.955 177.584 0.008 0.000 1.164 135 A CA 1.741 53.789 52.037 0.017 0.000 0.644 135 A CB -0.576 18.436 19.000 0.020 0.000 0.805 135 A HN 0.612 nan 8.150 nan 0.000 0.449 136 R N -0.598 119.900 120.500 -0.004 0.000 2.297 136 R HA 0.158 4.574 4.340 0.128 0.000 0.197 136 R C 1.223 177.514 176.300 -0.015 0.000 0.943 136 R CA 0.931 57.026 56.100 -0.009 0.000 1.038 136 R CB -0.158 30.133 30.300 -0.014 0.000 0.957 136 R HN 0.812 nan 8.270 nan 0.000 0.484 137 I N -2.880 117.679 120.570 -0.018 0.000 3.974 137 I HA 0.228 4.475 4.170 0.128 0.000 0.334 137 I C 1.348 177.461 176.117 -0.008 0.000 1.437 137 I CA -0.094 61.192 61.300 -0.022 0.000 1.113 137 I CB 0.515 38.489 38.000 -0.043 0.000 1.063 137 I HN -0.188 nan 8.210 nan 0.000 0.400 138 E N 2.773 122.975 120.200 0.004 0.000 2.108 138 E HA -0.296 4.131 4.350 0.128 0.000 0.203 138 E C 2.203 178.808 176.600 0.007 0.000 1.022 138 E CA 2.595 59.004 56.400 0.015 0.000 0.823 138 E CB -0.156 29.557 29.700 0.022 0.000 0.744 138 E HN 0.655 nan 8.360 nan 0.000 0.456 139 A N 0.513 123.332 122.820 -0.001 0.000 1.908 139 A HA -0.082 4.315 4.320 0.128 0.000 0.218 139 A C 2.458 180.036 177.584 -0.010 0.000 1.181 139 A CA 2.304 54.336 52.037 -0.008 0.000 0.627 139 A CB -1.069 17.923 19.000 -0.013 0.000 0.818 139 A HN 0.443 nan 8.150 nan 0.000 0.445 140 A N -0.746 122.068 122.820 -0.011 0.000 1.930 140 A HA 0.069 4.466 4.320 0.128 0.000 0.217 140 A C 2.207 179.787 177.584 -0.006 0.000 1.175 140 A CA 1.663 53.693 52.037 -0.011 0.000 0.627 140 A CB -0.742 18.249 19.000 -0.015 0.000 0.815 140 A HN 0.371 nan 8.150 nan 0.000 0.443 141 V N -0.388 119.526 119.914 -0.000 0.000 2.323 141 V HA -0.190 4.007 4.120 0.128 0.000 0.244 141 V C 2.623 178.725 176.094 0.012 0.000 1.041 141 V CA 2.184 64.489 62.300 0.008 0.000 1.025 141 V CB -0.755 31.081 31.823 0.022 0.000 0.656 141 V HN 0.500 nan 8.190 nan 0.000 0.451 142 R N 1.370 121.879 120.500 0.015 0.000 2.091 142 R HA -0.164 4.253 4.340 0.128 0.000 0.238 142 R C 1.964 178.284 176.300 0.033 0.000 1.136 142 R CA 1.971 58.085 56.100 0.024 0.000 0.959 142 R CB -0.562 29.749 30.300 0.018 0.000 0.856 142 R HN 0.800 nan 8.270 nan 0.000 0.437 143 D N -1.378 119.025 120.400 0.006 0.000 2.354 143 D HA -0.047 4.670 4.640 0.128 0.000 0.209 143 D C 1.465 177.766 176.300 0.002 0.000 1.015 143 D CA 0.272 54.270 54.000 -0.003 0.000 0.867 143 D CB -0.145 40.618 40.800 -0.062 0.000 0.933 143 D HN 0.072 nan 8.370 nan 0.000 0.520 144 R N 0.802 121.301 120.500 -0.001 0.000 2.080 144 R HA -0.011 4.405 4.340 0.128 0.000 0.236 144 R C 2.543 178.838 176.300 -0.008 0.000 1.137 144 R CA 2.029 58.125 56.100 -0.007 0.000 0.943 144 R CB -0.460 29.832 30.300 -0.013 0.000 0.846 144 R HN 0.244 nan 8.270 nan 0.000 0.431 145 A N 0.362 123.178 122.820 -0.006 0.000 1.883 145 A HA -0.243 4.154 4.320 0.128 0.000 0.217 145 A C 2.072 179.642 177.584 -0.022 0.000 1.186 145 A CA 1.766 53.785 52.037 -0.029 0.000 0.624 145 A CB -0.826 18.155 19.000 -0.032 0.000 0.822 145 A HN 0.398 nan 8.150 nan 0.000 0.444 146 H N 0.050 119.064 119.070 -0.093 0.000 2.326 146 H HA -0.006 4.627 4.556 0.127 0.000 0.301 146 H C 2.268 177.536 175.328 -0.100 0.000 1.081 146 H CA 1.813 57.797 56.048 -0.106 0.000 1.334 146 H CB -0.164 29.543 29.762 -0.093 0.000 1.385 146 H HN 0.478 nan 8.280 nan 0.000 0.504 147 R N -0.201 120.368 120.500 0.116 0.000 2.096 147 R HA -0.092 4.325 4.340 0.128 0.000 0.235 147 R C 2.774 179.072 176.300 -0.004 0.000 1.127 147 R CA 1.205 57.329 56.100 0.040 0.000 0.968 147 R CB -0.146 30.151 30.300 -0.006 0.000 0.861 147 R HN 0.283 nan 8.270 nan 0.000 0.440 148 L N 0.001 121.206 121.223 -0.031 0.000 2.056 148 L HA -0.155 4.262 4.340 0.128 0.000 0.207 148 L C 2.342 179.147 176.870 -0.109 0.000 1.078 148 L CA 0.936 55.735 54.840 -0.069 0.000 0.749 148 L CB -0.337 41.673 42.059 -0.080 0.000 0.901 148 L HN 0.018 nan 8.230 nan 0.000 0.433 149 V N -1.110 118.718 119.914 -0.144 0.000 2.343 149 V HA -0.261 3.935 4.120 0.128 0.000 0.247 149 V C 2.552 178.523 176.094 -0.204 0.000 1.051 149 V CA 1.924 64.087 62.300 -0.228 0.000 1.036 149 V CB -0.479 31.167 31.823 -0.295 0.000 0.654 149 V HN 0.367 nan 8.190 nan 0.000 0.451 150 S N 0.933 116.566 115.700 -0.112 0.000 2.359 150 S HA -0.222 4.325 4.470 0.128 0.000 0.224 150 S C 2.261 176.825 174.600 -0.059 0.000 1.035 150 S CA 1.891 60.053 58.200 -0.064 0.000 1.018 150 S CB -0.468 62.748 63.200 0.027 0.000 0.876 150 S HN 0.820 nan 8.310 nan 0.000 0.448 151 S N 1.507 117.179 115.700 -0.047 0.000 2.402 151 S HA -0.033 4.514 4.470 0.128 0.000 0.229 151 S C 1.864 176.444 174.600 -0.033 0.000 1.021 151 S CA 1.071 59.253 58.200 -0.030 0.000 0.974 151 S CB -0.533 62.653 63.200 -0.025 0.000 0.800 151 S HN 0.463 nan 8.310 nan 0.000 0.484 152 M N 0.988 120.539 119.600 -0.082 0.000 2.106 152 M HA -0.071 4.485 4.480 0.128 0.000 0.259 152 M C 1.927 178.201 176.300 -0.044 0.000 1.068 152 M CA 1.825 57.069 55.300 -0.093 0.000 1.100 152 M CB -0.365 32.104 32.600 -0.219 0.000 1.351 152 M HN 0.402 nan 8.290 nan 0.000 0.404 153 I N -0.126 120.375 120.570 -0.114 0.000 2.163 153 I HA -0.230 4.016 4.170 0.128 0.000 0.240 153 I C 2.621 178.817 176.117 0.132 0.000 1.081 153 I CA 1.223 62.553 61.300 0.050 0.000 1.353 153 I CB -0.679 37.291 38.000 -0.051 0.000 1.054 153 I HN 0.356 nan 8.210 nan 0.000 0.407 154 A N 0.963 123.815 122.820 0.054 0.000 1.902 154 A HA -0.214 4.183 4.320 0.128 0.000 0.217 154 A C 1.964 179.586 177.584 0.064 0.000 1.181 154 A CA 1.944 54.013 52.037 0.053 0.000 0.623 154 A CB -0.721 18.293 19.000 0.024 0.000 0.818 154 A HN 0.419 nan 8.150 nan 0.000 0.443 155 N N 0.758 119.496 118.700 0.063 0.000 2.443 155 N HA -0.056 4.761 4.740 0.128 0.000 0.184 155 N C -0.313 175.250 175.510 0.089 0.000 1.037 155 N CA 0.723 53.810 53.050 0.063 0.000 0.896 155 N CB -0.172 38.345 38.487 0.051 0.000 0.959 155 N HN 0.452 nan 8.380 nan 0.000 0.442 156 N N 0.112 118.900 118.700 0.147 0.000 2.790 156 N HA 0.190 5.007 4.740 0.128 0.000 0.256 156 N C -2.125 173.451 175.510 0.111 0.000 1.409 156 N CA -0.984 52.160 53.050 0.156 0.000 0.799 156 N CB 2.015 40.680 38.487 0.298 0.000 1.170 156 N HN 0.012 nan 8.380 nan 0.000 0.507 157 P HA -0.136 nan 4.420 nan 0.000 0.218 157 P C 0.888 178.159 177.300 -0.049 0.000 1.148 157 P CA 1.260 64.370 63.100 0.017 0.000 0.822 157 P CB 0.219 31.924 31.700 0.008 0.000 0.784 158 D N -0.656 119.698 120.400 -0.076 0.000 2.378 158 D HA -0.153 4.564 4.640 0.128 0.000 0.222 158 D C 0.447 176.570 176.300 -0.295 0.000 0.980 158 D CA 0.277 54.193 54.000 -0.140 0.000 0.907 158 D CB -0.907 39.829 40.800 -0.107 0.000 0.899 158 D HN 0.091 nan 8.370 nan 0.000 0.527 159 R N -0.748 119.488 120.500 -0.439 0.000 3.525 159 R HA -0.200 4.217 4.340 0.128 0.000 0.276 159 R C -0.686 174.953 176.300 -1.101 0.000 1.116 159 R CA 0.628 56.017 56.100 -1.185 0.000 0.745 159 R CB -2.293 27.340 30.300 -1.111 0.000 1.185 159 R HN 0.470 nan 8.270 nan 0.000 0.454 160 Q N -0.505 118.986 119.800 -0.516 0.000 2.303 160 Q HA 0.704 5.121 4.340 0.128 0.000 0.267 160 Q C -0.876 175.127 176.000 0.005 0.000 1.011 160 Q CA -0.204 55.472 55.803 -0.211 0.000 0.740 160 Q CB 2.424 31.081 28.738 -0.134 0.000 1.250 160 Q HN 0.343 nan 8.270 nan 0.000 0.458 161 A N 1.862 124.780 122.820 0.163 0.000 2.532 161 A HA 0.577 4.973 4.320 0.128 0.000 0.290 161 A C -1.552 176.111 177.584 0.132 0.000 1.143 161 A CA -0.738 51.418 52.037 0.198 0.000 0.728 161 A CB 1.668 20.871 19.000 0.339 0.000 1.317 161 A HN 0.640 nan 8.150 nan 0.000 0.414 162 D N 0.659 121.113 120.400 0.090 0.000 2.347 162 D HA 0.285 5.001 4.640 0.128 0.000 0.235 162 D C 0.854 177.186 176.300 0.052 0.000 1.149 162 D CA -0.413 53.623 54.000 0.061 0.000 0.850 162 D CB 0.869 41.697 40.800 0.047 0.000 1.061 162 D HN 0.325 nan 8.370 nan 0.000 0.487 163 L N 4.620 125.869 121.223 0.043 0.000 2.079 163 L HA -0.144 4.273 4.340 0.128 0.000 0.210 163 L C 1.723 178.592 176.870 -0.002 0.000 1.081 163 L CA 1.520 56.366 54.840 0.011 0.000 0.752 163 L CB -0.144 41.916 42.059 0.002 0.000 0.896 163 L HN 0.469 nan 8.230 nan 0.000 0.433 164 V N -0.722 119.202 119.914 0.017 0.000 2.244 164 V HA -0.245 3.951 4.120 0.128 0.000 0.244 164 V C 2.620 178.740 176.094 0.044 0.000 1.042 164 V CA 1.857 64.177 62.300 0.035 0.000 1.006 164 V CB -0.806 31.048 31.823 0.052 0.000 0.641 164 V HN 0.746 nan 8.190 nan 0.000 0.446 165 S N -0.772 114.960 115.700 0.053 0.000 2.489 165 S HA -0.070 4.476 4.470 0.128 0.000 0.228 165 S C 1.612 176.210 174.600 -0.004 0.000 0.995 165 S CA 0.876 59.105 58.200 0.048 0.000 0.934 165 S CB -0.228 63.016 63.200 0.073 0.000 0.771 165 S HN 0.670 nan 8.310 nan 0.000 0.522 166 E N -0.025 120.169 120.200 -0.010 0.000 2.276 166 E HA 0.236 4.663 4.350 0.128 0.000 0.193 166 E C 1.364 177.922 176.600 -0.070 0.000 0.983 166 E CA 0.494 56.875 56.400 -0.032 0.000 0.861 166 E CB 0.245 29.935 29.700 -0.017 0.000 0.817 166 E HN 0.542 nan 8.360 nan 0.000 0.485 167 L N -1.080 120.097 121.223 -0.077 0.000 2.437 167 L HA 0.327 4.743 4.340 0.128 0.000 0.188 167 L C 1.849 178.662 176.870 -0.094 0.000 1.123 167 L CA 1.023 55.801 54.840 -0.103 0.000 0.981 167 L CB -0.574 41.406 42.059 -0.132 0.000 1.935 167 L HN -0.105 nan 8.230 nan 0.000 0.494 168 A N 0.167 122.947 122.820 -0.068 0.000 1.898 168 A HA 0.089 4.486 4.320 0.128 0.000 0.216 168 A C 2.068 179.633 177.584 -0.032 0.000 1.181 168 A CA 1.775 53.789 52.037 -0.038 0.000 0.620 168 A CB -1.484 17.513 19.000 -0.006 0.000 0.819 168 A HN 0.550 nan 8.150 nan 0.000 0.442 169 G N 0.203 108.977 108.800 -0.043 0.000 2.464 169 G HA2 -0.120 3.917 3.960 0.128 0.000 0.214 169 G HA3 -0.120 3.917 3.960 0.128 0.000 0.214 169 G C -0.108 174.552 174.900 -0.401 0.000 1.218 169 G CA 1.204 46.222 45.100 -0.136 0.000 0.794 169 G HN 0.531 nan 8.290 nan 0.000 0.542 170 P HA 0.004 nan 4.420 nan 0.000 0.223 170 P C 2.007 179.171 177.300 -0.226 0.000 1.151 170 P CA 0.432 63.319 63.100 -0.355 0.000 0.787 170 P CB 0.044 31.604 31.700 -0.234 0.000 0.788 171 L N 1.457 122.587 121.223 -0.154 0.000 1.976 171 L HA 0.014 4.431 4.340 0.128 0.000 0.209 171 L C -0.860 175.958 176.870 -0.087 0.000 1.071 171 L CA 2.661 57.442 54.840 -0.098 0.000 0.746 171 L CB -2.279 39.741 42.059 -0.065 0.000 0.890 171 L HN -0.022 nan 8.230 nan 0.000 0.432 172 P HA -0.110 nan 4.420 nan 0.000 0.221 172 P C 1.878 179.133 177.300 -0.075 0.000 1.150 172 P CA 0.903 63.985 63.100 -0.031 0.000 0.800 172 P CB -0.098 31.615 31.700 0.022 0.000 0.787 173 L N 0.152 121.277 121.223 -0.164 0.000 1.976 173 L HA -0.200 4.217 4.340 0.128 0.000 0.209 173 L C 2.299 178.984 176.870 -0.309 0.000 1.071 173 L CA 2.017 56.717 54.840 -0.234 0.000 0.746 173 L CB -1.538 40.262 42.059 -0.431 0.000 0.890 173 L HN -0.103 nan 8.230 nan 0.000 0.432 174 Q N -0.298 119.323 119.800 -0.298 0.000 2.077 174 Q HA -0.241 4.176 4.340 0.128 0.000 0.206 174 Q C 2.283 178.177 176.000 -0.177 0.000 0.989 174 Q CA 2.376 58.008 55.803 -0.286 0.000 0.853 174 Q CB -0.438 28.251 28.738 -0.083 0.000 0.907 174 Q HN 0.607 nan 8.270 nan 0.000 0.418 175 I N 0.099 120.606 120.570 -0.105 0.000 2.127 175 I HA -0.298 3.949 4.170 0.128 0.000 0.241 175 I C 2.368 178.447 176.117 -0.063 0.000 1.075 175 I CA 0.937 62.200 61.300 -0.061 0.000 1.334 175 I CB -0.294 37.688 38.000 -0.030 0.000 1.040 175 I HN 0.205 nan 8.210 nan 0.000 0.405 176 I N 0.376 120.909 120.570 -0.062 0.000 2.226 176 I HA -0.292 3.955 4.170 0.128 0.000 0.245 176 I C 2.512 178.586 176.117 -0.071 0.000 1.100 176 I CA 1.521 62.799 61.300 -0.036 0.000 1.374 176 I CB -0.345 37.656 38.000 0.001 0.000 1.057 176 I HN 0.304 nan 8.210 nan 0.000 0.413 177 C N 0.592 119.806 119.300 -0.144 0.000 2.429 177 C HA -0.158 4.378 4.460 0.128 0.000 0.277 177 C C 2.396 177.394 174.990 0.014 0.000 1.262 177 C CA 1.040 59.992 59.018 -0.110 0.000 1.733 177 C CB -1.278 26.231 27.740 -0.386 0.000 2.010 177 C HN 0.529 nan 8.230 nan 0.000 0.483 178 D N 0.576 120.975 120.400 -0.003 0.000 2.123 178 D HA -0.128 4.588 4.640 0.128 0.000 0.196 178 D C 2.112 178.421 176.300 0.015 0.000 0.992 178 D CA 1.351 55.379 54.000 0.045 0.000 0.833 178 D CB -0.411 40.402 40.800 0.022 0.000 0.954 178 D HN 0.500 nan 8.370 nan 0.000 0.455 179 M N -0.490 119.096 119.600 -0.024 0.000 2.175 179 M HA -0.084 4.473 4.480 0.128 0.000 0.264 179 M C 1.917 178.206 176.300 -0.018 0.000 1.063 179 M CA 0.934 56.203 55.300 -0.051 0.000 1.119 179 M CB -0.080 32.453 32.600 -0.112 0.000 1.377 179 M HN -0.029 nan 8.290 nan 0.000 0.415 180 M N -0.493 119.110 119.600 0.005 0.000 2.394 180 M HA 0.089 4.646 4.480 0.128 0.000 0.264 180 M C 1.411 177.768 176.300 0.095 0.000 1.073 180 M CA 1.145 56.468 55.300 0.038 0.000 1.111 180 M CB -1.270 31.328 32.600 -0.004 0.000 1.401 180 M HN 0.542 nan 8.290 nan 0.000 0.448 181 G N 1.575 110.433 108.800 0.096 0.000 2.165 181 G HA2 -0.213 3.823 3.960 0.128 0.000 0.226 181 G HA3 -0.213 3.823 3.960 0.128 0.000 0.226 181 G C -0.024 174.984 174.900 0.179 0.000 1.035 181 G CA -0.257 44.913 45.100 0.118 0.000 0.744 181 G HN 0.449 nan 8.290 nan 0.000 0.501 182 I N 2.435 123.150 120.570 0.240 0.000 2.371 182 I HA 0.302 4.548 4.170 0.128 0.000 0.290 182 I C -1.257 175.041 176.117 0.303 0.000 1.028 182 I CA -2.318 59.186 61.300 0.339 0.000 1.345 182 I CB 1.221 39.463 38.000 0.402 0.000 1.407 182 I HN -0.041 nan 8.210 nan 0.000 0.501 183 P HA 0.087 nan 4.420 nan 0.000 0.272 183 P C 0.563 177.772 177.300 -0.152 0.000 1.223 183 P CA -0.253 62.890 63.100 0.071 0.000 0.784 183 P CB 0.635 32.373 31.700 0.064 0.000 0.923 184 K N 1.889 122.059 120.400 -0.383 0.000 2.089 184 K HA -0.229 4.168 4.320 0.128 0.000 0.210 184 K C 2.160 178.472 176.600 -0.480 0.000 1.048 184 K CA 2.599 58.425 56.287 -0.770 0.000 0.926 184 K CB -1.835 30.454 32.500 -0.352 0.000 0.714 184 K HN 0.621 nan 8.250 nan 0.000 0.448 185 A N 1.159 123.856 122.820 -0.205 0.000 2.067 185 A HA -0.072 4.325 4.320 0.128 0.000 0.219 185 A C 1.643 179.182 177.584 -0.074 0.000 1.158 185 A CA 1.576 53.549 52.037 -0.106 0.000 0.661 185 A CB -0.048 18.926 19.000 -0.044 0.000 0.801 185 A HN 0.586 nan 8.150 nan 0.000 0.452 186 D N -1.635 118.736 120.400 -0.048 0.000 2.360 186 D HA 0.072 4.789 4.640 0.128 0.000 0.210 186 D C 1.261 177.565 176.300 0.005 0.000 1.047 186 D CA 0.207 54.196 54.000 -0.019 0.000 0.854 186 D CB -0.386 40.474 40.800 0.100 0.000 0.936 186 D HN 0.686 nan 8.370 nan 0.000 0.514 187 H N 0.589 119.624 119.070 -0.058 0.000 2.319 187 H HA -0.184 4.448 4.556 0.128 0.000 0.297 187 H C 2.509 177.801 175.328 -0.060 0.000 1.097 187 H CA 1.754 57.769 56.048 -0.055 0.000 1.285 187 H CB 0.255 29.986 29.762 -0.053 0.000 1.368 187 H HN 0.206 nan 8.280 nan 0.000 0.495 188 Q N 1.701 121.536 119.800 0.059 0.000 2.124 188 Q HA -0.153 4.264 4.340 0.128 0.000 0.202 188 Q C 2.138 178.100 176.000 -0.063 0.000 0.977 188 Q CA 1.714 57.539 55.803 0.036 0.000 0.850 188 Q CB -0.543 28.193 28.738 -0.002 0.000 0.901 188 Q HN 0.486 nan 8.270 nan 0.000 0.429 189 R N -0.476 119.867 120.500 -0.262 0.000 2.073 189 R HA 0.019 4.435 4.340 0.128 0.000 0.229 189 R C 2.239 178.019 176.300 -0.868 0.000 1.120 189 R CA 1.206 56.922 56.100 -0.640 0.000 0.967 189 R CB -0.223 29.598 30.300 -0.798 0.000 0.862 189 R HN 0.475 nan 8.270 nan 0.000 0.436 190 I N 0.618 120.882 120.570 -0.511 0.000 2.151 190 I HA -0.305 3.942 4.170 0.128 0.000 0.243 190 I C 2.159 178.315 176.117 0.066 0.000 1.080 190 I CA 1.450 62.674 61.300 -0.127 0.000 1.339 190 I CB -0.978 37.027 38.000 0.008 0.000 1.039 190 I HN 0.205 nan 8.210 nan 0.000 0.409 191 F N 1.589 121.485 119.950 -0.090 0.000 2.095 191 F HA -0.282 4.322 4.527 0.128 0.000 0.298 191 F C 2.831 178.631 175.800 -0.000 0.000 1.104 191 F CA 2.282 60.265 58.000 -0.028 0.000 1.232 191 F CB -0.840 38.148 39.000 -0.020 0.000 0.987 191 F HN 0.231 nan 8.300 nan 0.000 0.475 192 H N -1.083 117.904 119.070 -0.140 0.000 2.387 192 H HA -0.198 4.435 4.556 0.129 0.000 0.299 192 H C 2.013 177.305 175.328 -0.059 0.000 1.090 192 H CA 2.347 58.285 56.048 -0.184 0.000 1.332 192 H CB -0.557 29.091 29.762 -0.190 0.000 1.386 192 H HN 0.248 nan 8.280 nan 0.000 0.516 193 W N 0.661 121.821 121.300 -0.234 0.000 2.379 193 W HA -0.108 4.632 4.660 0.133 0.000 0.307 193 W C 2.732 179.119 176.519 -0.220 0.000 1.200 193 W CA 2.144 59.327 57.345 -0.270 0.000 1.297 193 W CB -1.390 27.996 29.460 -0.122 0.000 1.140 193 W HN 0.450 nan 8.180 nan 0.000 0.507 194 T N -2.385 112.213 114.554 0.073 0.000 2.904 194 T HA -0.131 4.296 4.350 0.128 0.000 0.267 194 T C 1.479 176.137 174.700 -0.070 0.000 1.059 194 T CA 1.426 63.548 62.100 0.037 0.000 1.137 194 T CB -0.853 68.061 68.868 0.077 0.000 0.879 194 T HN 0.209 nan 8.240 nan 0.000 0.467 195 N N 0.798 119.355 118.700 -0.239 0.000 2.149 195 N HA -0.078 4.738 4.740 0.128 0.000 0.188 195 N C 1.763 177.208 175.510 -0.108 0.000 1.019 195 N CA 1.242 54.132 53.050 -0.267 0.000 0.857 195 N CB -0.203 38.035 38.487 -0.414 0.000 0.997 195 N HN 0.236 nan 8.380 nan 0.000 0.426 196 V N 1.503 121.347 119.914 -0.117 0.000 2.407 196 V HA -0.125 4.072 4.120 0.128 0.000 0.245 196 V C 2.122 178.321 176.094 0.175 0.000 1.041 196 V CA 1.042 63.351 62.300 0.015 0.000 1.040 196 V CB -0.302 31.485 31.823 -0.058 0.000 0.671 196 V HN 0.247 nan 8.190 nan 0.000 0.455 197 I N -0.383 120.235 120.570 0.081 0.000 2.151 197 I HA -0.255 3.991 4.170 0.128 0.000 0.243 197 I C 1.744 178.034 176.117 0.287 0.000 1.080 197 I CA 1.606 63.013 61.300 0.178 0.000 1.339 197 I CB -0.151 37.904 38.000 0.092 0.000 1.039 197 I HN 0.270 nan 8.210 nan 0.000 0.409 198 L N -0.009 121.313 121.223 0.166 0.000 2.818 198 L HA 0.273 4.690 4.340 0.128 0.000 0.243 198 L C 1.397 178.341 176.870 0.123 0.000 1.185 198 L CA 0.486 55.417 54.840 0.152 0.000 0.988 198 L CB 0.249 42.375 42.059 0.111 0.000 1.292 198 L HN 0.082 nan 8.230 nan 0.000 0.519 199 G N -2.117 106.770 108.800 0.145 0.000 3.596 199 G HA2 0.002 4.039 3.960 0.128 0.000 0.274 199 G HA3 0.002 4.039 3.960 0.128 0.000 0.274 199 G C 0.168 175.155 174.900 0.145 0.000 1.007 199 G CA -0.201 44.963 45.100 0.107 0.000 0.825 199 G HN 0.115 nan 8.290 nan 0.000 0.508 200 F N 1.782 121.784 119.950 0.086 0.000 2.578 200 F HA 0.411 5.018 4.527 0.134 0.000 0.381 200 F C 1.384 177.197 175.800 0.021 0.000 1.069 200 F CA 1.857 59.911 58.000 0.090 0.000 1.231 200 F CB 0.972 40.035 39.000 0.105 0.000 1.086 200 F HN 0.195 nan 8.300 nan 0.000 0.564 201 G N 3.541 112.036 108.800 -0.508 0.000 2.316 201 G HA2 -0.218 3.818 3.960 0.128 0.000 0.203 201 G HA3 -0.218 3.818 3.960 0.128 0.000 0.203 201 G C -0.359 174.441 174.900 -0.166 0.000 0.999 201 G CA -0.059 44.866 45.100 -0.292 0.000 0.649 201 G HN 0.679 nan 8.290 nan 0.000 0.489 202 D N 1.539 121.868 120.400 -0.118 0.000 2.317 202 D HA 0.500 5.216 4.640 0.128 0.000 0.234 202 D C -1.038 175.225 176.300 -0.061 0.000 1.112 202 D CA -1.872 52.099 54.000 -0.049 0.000 0.840 202 D CB 1.938 42.737 40.800 -0.002 0.000 1.078 202 D HN 0.062 nan 8.370 nan 0.000 0.486 203 P HA -0.092 nan 4.420 nan 0.000 0.221 203 P C 0.549 177.846 177.300 -0.004 0.000 1.145 203 P CA 0.758 63.840 63.100 -0.031 0.000 0.795 203 P CB 0.437 32.128 31.700 -0.015 0.000 0.775 204 D N -1.706 118.697 120.400 0.004 0.000 2.317 204 D HA -0.016 4.701 4.640 0.128 0.000 0.211 204 D C 1.641 177.960 176.300 0.031 0.000 0.966 204 D CA 0.754 54.765 54.000 0.019 0.000 0.876 204 D CB 0.071 40.882 40.800 0.019 0.000 0.927 204 D HN 0.136 nan 8.370 nan 0.000 0.519 205 L N -0.439 120.799 121.223 0.025 0.000 2.546 205 L HA 0.461 4.877 4.340 0.128 0.000 0.182 205 L C 0.648 177.560 176.870 0.070 0.000 1.167 205 L CA 0.460 55.329 54.840 0.048 0.000 0.845 205 L CB -0.725 41.358 42.059 0.040 0.000 1.134 205 L HN -0.159 nan 8.230 nan 0.000 0.500 206 A N -0.914 121.920 122.820 0.023 0.000 2.590 206 A HA 0.503 4.899 4.320 0.128 0.000 0.296 206 A C -0.048 177.351 177.584 -0.308 0.000 1.050 206 A CA 0.426 52.475 52.037 0.019 0.000 0.697 206 A CB 0.708 19.860 19.000 0.254 0.000 1.277 206 A HN 0.282 nan 8.150 nan 0.000 0.411 207 T N -2.412 111.984 114.554 -0.262 0.000 3.080 207 T HA 0.283 4.710 4.350 0.128 0.000 0.280 207 T C -0.178 174.479 174.700 -0.072 0.000 0.926 207 T CA 0.683 62.506 62.100 -0.461 0.000 0.883 207 T CB -0.021 68.724 68.868 -0.205 0.000 1.194 207 T HN 0.692 nan 8.240 nan 0.000 0.541 208 D N 0.864 121.388 120.400 0.207 0.000 2.317 208 D HA 0.310 5.027 4.640 0.128 0.000 0.234 208 D C 0.565 177.233 176.300 0.613 0.000 1.112 208 D CA -1.303 52.911 54.000 0.357 0.000 0.840 208 D CB 0.698 41.629 40.800 0.218 0.000 1.078 208 D HN 0.003 nan 8.370 nan 0.000 0.486 209 F N 3.157 123.369 119.950 0.438 0.000 2.250 209 F HA -0.155 4.443 4.527 0.120 0.000 0.301 209 F C 1.390 177.276 175.800 0.143 0.000 1.077 209 F CA 1.366 59.485 58.000 0.199 0.000 1.348 209 F CB 0.194 39.187 39.000 -0.012 0.000 1.040 209 F HN 0.396 nan 8.300 nan 0.000 0.509 210 D N 0.215 120.726 120.400 0.185 0.000 2.117 210 D HA -0.231 4.485 4.640 0.128 0.000 0.197 210 D C 2.173 178.487 176.300 0.023 0.000 0.987 210 D CA 1.580 55.622 54.000 0.070 0.000 0.829 210 D CB -0.444 40.422 40.800 0.110 0.000 0.961 210 D HN 0.510 nan 8.370 nan 0.000 0.460 211 E N -0.679 119.592 120.200 0.118 0.000 2.110 211 E HA -0.179 4.248 4.350 0.128 0.000 0.193 211 E C 1.974 178.609 176.600 0.058 0.000 0.988 211 E CA 0.498 56.969 56.400 0.118 0.000 0.804 211 E CB -0.186 29.634 29.700 0.201 0.000 0.745 211 E HN 0.251 nan 8.360 nan 0.000 0.458 212 F N 0.488 120.377 119.950 -0.102 0.000 2.146 212 F HA -0.190 4.410 4.527 0.121 0.000 0.298 212 F C 2.096 177.666 175.800 -0.383 0.000 1.096 212 F CA 1.196 59.046 58.000 -0.249 0.000 1.275 212 F CB -0.007 38.654 39.000 -0.564 0.000 1.008 212 F HN 0.066 nan 8.300 nan 0.000 0.480 213 M N 0.032 119.410 119.600 -0.369 0.000 2.175 213 M HA -0.187 4.370 4.480 0.128 0.000 0.264 213 M C 2.231 178.319 176.300 -0.353 0.000 1.063 213 M CA 1.446 56.512 55.300 -0.390 0.000 1.119 213 M CB -1.349 31.047 32.600 -0.341 0.000 1.377 213 M HN 0.266 nan 8.290 nan 0.000 0.415 214 Q N 0.206 119.860 119.800 -0.243 0.000 2.050 214 Q HA -0.092 4.325 4.340 0.128 0.000 0.202 214 Q C 2.032 177.842 176.000 -0.316 0.000 0.980 214 Q CA 1.734 57.418 55.803 -0.199 0.000 0.840 214 Q CB -0.427 28.267 28.738 -0.074 0.000 0.898 214 Q HN 0.307 nan 8.270 nan 0.000 0.424 215 V N -0.118 119.589 119.914 -0.345 0.000 2.343 215 V HA -0.256 3.941 4.120 0.128 0.000 0.247 215 V C 2.241 177.879 176.094 -0.759 0.000 1.051 215 V CA 1.915 63.927 62.300 -0.480 0.000 1.036 215 V CB -0.666 30.981 31.823 -0.294 0.000 0.654 215 V HN 0.352 nan 8.190 nan 0.000 0.451 216 S N 0.138 115.356 115.700 -0.803 0.000 2.359 216 S HA -0.210 4.337 4.470 0.128 0.000 0.224 216 S C 2.220 176.091 174.600 -1.215 0.000 1.035 216 S CA 1.536 59.103 58.200 -1.055 0.000 1.018 216 S CB -0.523 61.948 63.200 -1.214 0.000 0.876 216 S HN 0.667 nan 8.310 nan 0.000 0.448 217 A N 1.956 124.229 122.820 -0.911 0.000 1.902 217 A HA -0.170 4.227 4.320 0.128 0.000 0.217 217 A C 1.812 179.125 177.584 -0.452 0.000 1.181 217 A CA 1.851 53.584 52.037 -0.506 0.000 0.623 217 A CB -0.766 18.097 19.000 -0.227 0.000 0.818 217 A HN 0.373 nan 8.150 nan 0.000 0.443 218 D N -0.393 119.655 120.400 -0.587 0.000 2.117 218 D HA -0.123 4.594 4.640 0.128 0.000 0.197 218 D C 1.787 177.446 176.300 -1.069 0.000 0.987 218 D CA 1.224 54.802 54.000 -0.702 0.000 0.829 218 D CB -0.331 40.039 40.800 -0.717 0.000 0.961 218 D HN 0.517 nan 8.370 nan 0.000 0.460 219 I N 0.354 120.158 120.570 -1.276 0.000 2.353 219 I HA -0.096 4.151 4.170 0.128 0.000 0.248 219 I C 2.124 178.048 176.117 -0.322 0.000 1.119 219 I CA 1.227 62.031 61.300 -0.828 0.000 1.417 219 I CB -0.124 37.594 38.000 -0.470 0.000 1.078 219 I HN -0.016 nan 8.210 nan 0.000 0.421 220 G N 0.272 108.888 108.800 -0.307 0.000 2.421 220 G HA2 -0.293 3.743 3.960 0.128 0.000 0.216 220 G HA3 -0.293 3.743 3.960 0.128 0.000 0.216 220 G C 1.756 176.589 174.900 -0.113 0.000 1.171 220 G CA 0.748 45.797 45.100 -0.085 0.000 0.775 220 G HN 0.543 nan 8.290 nan 0.000 0.543 221 A N 0.011 122.751 122.820 -0.134 0.000 1.883 221 A HA -0.107 4.290 4.320 0.128 0.000 0.217 221 A C 2.220 179.738 177.584 -0.110 0.000 1.186 221 A CA 1.833 53.807 52.037 -0.105 0.000 0.624 221 A CB -0.805 18.143 19.000 -0.088 0.000 0.822 221 A HN 0.500 nan 8.150 nan 0.000 0.444 222 Y N 0.497 120.672 120.300 -0.209 0.000 2.128 222 Y HA -0.164 4.461 4.550 0.126 0.000 0.284 222 Y C 2.700 178.403 175.900 -0.327 0.000 1.154 222 Y CA 1.695 59.713 58.100 -0.135 0.000 1.149 222 Y CB -0.432 38.075 38.460 0.079 0.000 0.976 222 Y HN 0.325 nan 8.280 nan 0.000 0.505 223 A N -0.889 121.692 122.820 -0.397 0.000 1.940 223 A HA -0.210 4.186 4.320 0.128 0.000 0.219 223 A C 2.207 179.509 177.584 -0.471 0.000 1.176 223 A CA 2.292 53.809 52.037 -0.867 0.000 0.631 223 A CB -1.309 17.159 19.000 -0.887 0.000 0.814 223 A HN 0.523 nan 8.150 nan 0.000 0.446 224 T N 0.028 114.405 114.554 -0.295 0.000 2.777 224 T HA 0.031 4.457 4.350 0.128 0.000 0.266 224 T C 2.219 176.794 174.700 -0.210 0.000 1.040 224 T CA 1.466 63.449 62.100 -0.195 0.000 1.141 224 T CB -0.374 68.415 68.868 -0.132 0.000 0.868 224 T HN 0.595 nan 8.240 nan 0.000 0.444 225 A N 0.940 123.603 122.820 -0.263 0.000 1.930 225 A HA 0.039 4.436 4.320 0.128 0.000 0.217 225 A C 2.207 179.619 177.584 -0.287 0.000 1.175 225 A CA 1.076 52.961 52.037 -0.253 0.000 0.627 225 A CB -0.690 18.147 19.000 -0.273 0.000 0.815 225 A HN 0.391 nan 8.150 nan 0.000 0.443 226 L N -0.347 120.636 121.223 -0.399 0.000 2.044 226 L HA 0.019 4.435 4.340 0.128 0.000 0.205 226 L C 2.746 179.498 176.870 -0.197 0.000 1.075 226 L CA 1.965 56.614 54.840 -0.318 0.000 0.747 226 L CB -0.759 41.099 42.059 -0.334 0.000 0.903 226 L HN 0.338 nan 8.230 nan 0.000 0.435 227 A N -0.820 121.892 122.820 -0.179 0.000 1.917 227 A HA -0.209 4.187 4.320 0.128 0.000 0.219 227 A C 2.147 179.675 177.584 -0.093 0.000 1.182 227 A CA 1.864 53.838 52.037 -0.104 0.000 0.633 227 A CB -0.548 18.401 19.000 -0.085 0.000 0.819 227 A HN 0.504 nan 8.150 nan 0.000 0.448 228 E N 0.104 120.239 120.200 -0.108 0.000 2.072 228 E HA -0.136 4.291 4.350 0.128 0.000 0.190 228 E C 1.579 178.133 176.600 -0.077 0.000 0.982 228 E CA 1.275 57.627 56.400 -0.081 0.000 0.803 228 E CB -0.700 28.951 29.700 -0.082 0.000 0.755 228 E HN 0.700 nan 8.360 nan 0.000 0.453 229 D N 0.204 120.540 120.400 -0.105 0.000 2.127 229 D HA -0.177 4.540 4.640 0.128 0.000 0.190 229 D C 1.923 178.163 176.300 -0.100 0.000 1.000 229 D CA 1.531 55.467 54.000 -0.107 0.000 0.839 229 D CB 0.175 40.881 40.800 -0.155 0.000 0.955 229 D HN -0.059 nan 8.370 nan 0.000 0.446 230 R N 0.211 120.638 120.500 -0.122 0.000 2.148 230 R HA 0.022 4.438 4.340 0.128 0.000 0.223 230 R C 2.178 178.466 176.300 -0.019 0.000 1.088 230 R CA 0.411 56.449 56.100 -0.102 0.000 0.985 230 R CB -0.470 29.758 30.300 -0.119 0.000 0.880 230 R HN 0.225 nan 8.270 nan 0.000 0.451 231 R N 0.339 120.827 120.500 -0.021 0.000 2.096 231 R HA -0.134 4.282 4.340 0.128 0.000 0.240 231 R C 2.221 178.533 176.300 0.019 0.000 1.139 231 R CA 1.811 57.913 56.100 0.003 0.000 0.952 231 R CB -0.401 29.893 30.300 -0.011 0.000 0.854 231 R HN 0.098 nan 8.270 nan 0.000 0.436 232 V N 0.104 120.024 119.914 0.010 0.000 2.535 232 V HA -0.028 4.169 4.120 0.128 0.000 0.246 232 V C -0.436 175.689 176.094 0.052 0.000 1.045 232 V CA 1.428 63.742 62.300 0.023 0.000 1.058 232 V CB -0.136 31.692 31.823 0.009 0.000 0.689 232 V HN 0.383 nan 8.190 nan 0.000 0.461 233 N N 0.665 119.403 118.700 0.064 0.000 2.623 233 N HA 0.248 5.065 4.740 0.128 0.000 0.256 233 N C -0.844 174.787 175.510 0.201 0.000 1.045 233 N CA -0.379 52.751 53.050 0.132 0.000 0.863 233 N CB 0.459 39.033 38.487 0.145 0.000 1.182 233 N HN 0.423 nan 8.380 nan 0.000 0.523 234 H N 2.054 121.195 119.070 0.118 0.000 3.001 234 H HA -0.028 4.604 4.556 0.127 0.000 0.334 234 H C -0.211 175.271 175.328 0.256 0.000 1.034 234 H CA 1.403 57.528 56.048 0.128 0.000 1.420 234 H CB 0.671 30.474 29.762 0.068 0.000 1.405 234 H HN 0.743 nan 8.280 nan 0.000 0.593 235 H N 3.035 121.748 119.070 -0.594 0.000 3.241 235 H HA 0.022 4.655 4.556 0.128 0.000 0.260 235 H C -0.053 175.008 175.328 -0.445 0.000 1.084 235 H CA 0.053 55.880 56.048 -0.368 0.000 1.203 235 H CB 1.017 30.672 29.762 -0.179 0.000 1.524 235 H HN 0.792 nan 8.280 nan 0.000 0.521 236 D N 2.293 122.286 120.400 -0.678 0.000 2.832 236 D HA -0.106 4.611 4.640 0.128 0.000 0.235 236 D C -1.305 174.944 176.300 -0.085 0.000 1.081 236 D CA 0.814 54.690 54.000 -0.207 0.000 0.744 236 D CB -0.707 40.071 40.800 -0.038 0.000 1.086 236 D HN 0.618 nan 8.370 nan 0.000 0.438 237 D N -1.873 118.471 120.400 -0.094 0.000 2.592 237 D HA 0.339 5.055 4.640 0.128 0.000 0.263 237 D C 1.549 177.828 176.300 -0.035 0.000 1.132 237 D CA -0.829 53.149 54.000 -0.035 0.000 0.996 237 D CB 0.229 41.031 40.800 0.003 0.000 1.442 237 D HN 0.034 nan 8.370 nan 0.000 0.486 238 L N -0.481 120.729 121.223 -0.022 0.000 2.131 238 L HA -0.117 4.299 4.340 0.128 0.000 0.210 238 L C 2.004 178.862 176.870 -0.020 0.000 1.092 238 L CA 1.446 56.272 54.840 -0.024 0.000 0.759 238 L CB -0.570 41.483 42.059 -0.011 0.000 0.903 238 L HN 0.531 nan 8.230 nan 0.000 0.435 239 T N -0.946 113.624 114.554 0.026 0.000 2.759 239 T HA -0.175 4.252 4.350 0.128 0.000 0.269 239 T C 2.112 176.812 174.700 0.001 0.000 1.042 239 T CA 1.713 63.846 62.100 0.055 0.000 1.140 239 T CB -0.083 68.852 68.868 0.112 0.000 0.864 239 T HN 0.317 nan 8.240 nan 0.000 0.455 240 S N 1.316 116.999 115.700 -0.027 0.000 2.371 240 S HA -0.057 4.490 4.470 0.128 0.000 0.224 240 S C 2.498 177.121 174.600 0.038 0.000 1.029 240 S CA 0.935 59.128 58.200 -0.011 0.000 0.978 240 S CB -0.295 62.842 63.200 -0.105 0.000 0.833 240 S HN 0.471 nan 8.310 nan 0.000 0.466 241 S N 2.222 117.933 115.700 0.019 0.000 2.370 241 S HA -0.014 4.533 4.470 0.128 0.000 0.226 241 S C 1.807 176.396 174.600 -0.018 0.000 1.033 241 S CA 0.951 59.161 58.200 0.017 0.000 1.011 241 S CB -0.515 62.681 63.200 -0.006 0.000 0.852 241 S HN 0.352 nan 8.310 nan 0.000 0.457 242 L N 1.395 122.581 121.223 -0.062 0.000 2.017 242 L HA -0.103 4.313 4.340 0.128 0.000 0.208 242 L C 2.575 179.441 176.870 -0.007 0.000 1.073 242 L CA 1.401 56.193 54.840 -0.080 0.000 0.745 242 L CB -0.835 41.164 42.059 -0.101 0.000 0.894 242 L HN 0.372 nan 8.230 nan 0.000 0.432 243 V N -3.637 116.281 119.914 0.008 0.000 3.041 243 V HA -0.090 4.106 4.120 0.128 0.000 0.260 243 V C 1.788 177.899 176.094 0.028 0.000 1.105 243 V CA 1.189 63.499 62.300 0.018 0.000 1.125 243 V CB -0.321 31.507 31.823 0.009 0.000 0.730 243 V HN 0.412 nan 8.190 nan 0.000 0.479 244 E N 1.207 121.430 120.200 0.037 0.000 2.318 244 E HA 0.372 4.799 4.350 0.128 0.000 0.193 244 E C 1.391 178.010 176.600 0.032 0.000 0.998 244 E CA 0.481 56.906 56.400 0.043 0.000 0.859 244 E CB 0.064 29.805 29.700 0.069 0.000 0.812 244 E HN 0.760 nan 8.360 nan 0.000 0.492 245 A N 1.721 124.558 122.820 0.030 0.000 2.466 245 A HA 0.021 4.418 4.320 0.128 0.000 0.238 245 A C -0.186 177.419 177.584 0.035 0.000 1.074 245 A CA 0.316 52.372 52.037 0.032 0.000 0.774 245 A CB 0.227 19.249 19.000 0.037 0.000 1.015 245 A HN 0.066 nan 8.150 nan 0.000 0.498 246 E N 0.228 120.448 120.200 0.033 0.000 2.182 246 E HA 0.461 4.887 4.350 0.128 0.000 0.258 246 E C -0.619 176.003 176.600 0.037 0.000 0.879 246 E CA -0.344 56.075 56.400 0.032 0.000 0.754 246 E CB 1.647 31.360 29.700 0.023 0.000 1.162 246 E HN 0.609 nan 8.360 nan 0.000 0.419 247 V N 0.742 120.683 119.914 0.045 0.000 2.776 247 V HA 0.530 4.727 4.120 0.128 0.000 0.332 247 V C 0.091 176.208 176.094 0.039 0.000 1.201 247 V CA 1.098 63.429 62.300 0.052 0.000 1.401 247 V CB -0.395 31.475 31.823 0.079 0.000 1.552 247 V HN 0.832 nan 8.190 nan 0.000 0.605 248 D N 0.002 120.420 120.400 0.029 0.000 3.779 248 D HA 0.449 5.165 4.640 0.128 0.000 0.349 248 D C 0.737 177.049 176.300 0.019 0.000 1.572 248 D CA 0.103 54.117 54.000 0.022 0.000 0.853 248 D CB -0.158 40.656 40.800 0.024 0.000 1.381 248 D HN 1.235 nan 8.370 nan 0.000 0.513 249 G N -0.117 108.692 108.800 0.015 0.000 3.605 249 G HA2 0.467 4.504 3.960 0.128 0.000 0.277 249 G HA3 0.467 4.504 3.960 0.128 0.000 0.277 249 G C -0.206 174.702 174.900 0.014 0.000 1.093 249 G CA 0.403 45.511 45.100 0.013 0.000 0.821 249 G HN 0.456 nan 8.290 nan 0.000 0.532 250 E N 0.523 120.734 120.200 0.018 0.000 2.256 250 E HA 0.385 4.811 4.350 0.128 0.000 0.267 250 E C -0.158 176.457 176.600 0.025 0.000 0.892 250 E CA -0.653 55.758 56.400 0.019 0.000 0.775 250 E CB 2.125 31.836 29.700 0.018 0.000 1.207 250 E HN 0.162 nan 8.360 nan 0.000 0.420 251 R N 0.855 121.369 120.500 0.023 0.000 2.679 251 R HA 0.315 4.732 4.340 0.128 0.000 0.269 251 R C 0.333 176.655 176.300 0.036 0.000 1.076 251 R CA -0.459 55.659 56.100 0.029 0.000 1.160 251 R CB 0.469 30.782 30.300 0.022 0.000 1.054 251 R HN 0.309 nan 8.270 nan 0.000 0.507 252 L N 1.791 123.044 121.223 0.050 0.000 2.453 252 L HA 0.047 4.463 4.340 0.128 0.000 0.272 252 L C 0.962 177.857 176.870 0.043 0.000 1.182 252 L CA -0.145 54.732 54.840 0.063 0.000 0.858 252 L CB 0.684 42.803 42.059 0.100 0.000 1.120 252 L HN 0.779 nan 8.230 nan 0.000 0.474 253 S N 1.420 117.142 115.700 0.036 0.000 2.589 253 S HA 0.047 4.593 4.470 0.128 0.000 0.265 253 S C 1.232 175.840 174.600 0.015 0.000 1.342 253 S CA -0.345 57.865 58.200 0.017 0.000 1.005 253 S CB 1.366 64.571 63.200 0.008 0.000 0.909 253 S HN 0.627 nan 8.310 nan 0.000 0.555 254 S N 0.678 116.374 115.700 -0.006 0.000 2.372 254 S HA -0.207 4.340 4.470 0.128 0.000 0.227 254 S C 2.016 176.603 174.600 -0.022 0.000 1.044 254 S CA 1.710 59.898 58.200 -0.020 0.000 1.050 254 S CB -0.599 62.578 63.200 -0.039 0.000 0.901 254 S HN 0.769 nan 8.310 nan 0.000 0.447 255 R N 0.792 121.270 120.500 -0.037 0.000 2.075 255 R HA -0.078 4.339 4.340 0.128 0.000 0.232 255 R C 2.082 178.380 176.300 -0.002 0.000 1.126 255 R CA 1.557 57.621 56.100 -0.060 0.000 0.963 255 R CB -0.195 30.055 30.300 -0.082 0.000 0.858 255 R HN 0.501 nan 8.270 nan 0.000 0.435 256 E N 0.386 120.605 120.200 0.033 0.000 2.077 256 E HA -0.185 4.242 4.350 0.128 0.000 0.193 256 E C 2.085 178.783 176.600 0.164 0.000 0.989 256 E CA 1.206 57.658 56.400 0.087 0.000 0.800 256 E CB -0.026 29.728 29.700 0.091 0.000 0.746 256 E HN 0.356 nan 8.360 nan 0.000 0.452 257 I N 1.276 121.926 120.570 0.132 0.000 2.142 257 I HA -0.241 4.006 4.170 0.128 0.000 0.240 257 I C 2.650 178.880 176.117 0.189 0.000 1.078 257 I CA 1.129 62.526 61.300 0.161 0.000 1.343 257 I CB -1.155 36.891 38.000 0.076 0.000 1.046 257 I HN 0.052 nan 8.210 nan 0.000 0.405 258 A N 0.709 123.587 122.820 0.096 0.000 1.917 258 A HA -0.222 4.175 4.320 0.128 0.000 0.219 258 A C 2.566 180.255 177.584 0.175 0.000 1.182 258 A CA 2.488 54.580 52.037 0.092 0.000 0.633 258 A CB -0.816 18.189 19.000 0.008 0.000 0.819 258 A HN 0.457 nan 8.150 nan 0.000 0.448 259 S N -1.450 114.332 115.700 0.136 0.000 2.383 259 S HA -0.044 4.502 4.470 0.128 0.000 0.227 259 S C 1.651 176.392 174.600 0.235 0.000 1.026 259 S CA 1.104 59.382 58.200 0.131 0.000 0.981 259 S CB -0.419 62.824 63.200 0.072 0.000 0.818 259 S HN 0.537 nan 8.310 nan 0.000 0.472 260 F N 1.465 121.497 119.950 0.136 0.000 2.113 260 F HA 0.045 4.653 4.527 0.134 0.000 0.297 260 F C 1.857 177.764 175.800 0.178 0.000 1.103 260 F CA 0.221 58.303 58.000 0.137 0.000 1.248 260 F CB -0.855 38.216 39.000 0.119 0.000 0.999 260 F HN 0.232 nan 8.300 nan 0.000 0.475 261 F N 0.370 120.501 119.950 0.300 0.000 2.126 261 F HA -0.224 4.378 4.527 0.124 0.000 0.299 261 F C 2.151 178.071 175.800 0.200 0.000 1.096 261 F CA 1.830 59.951 58.000 0.202 0.000 1.255 261 F CB -0.454 38.637 39.000 0.151 0.000 0.997 261 F HN -0.070 nan 8.300 nan 0.000 0.479 262 I N -0.443 120.377 120.570 0.417 0.000 2.353 262 I HA -0.229 4.017 4.170 0.128 0.000 0.248 262 I C 2.244 178.489 176.117 0.213 0.000 1.119 262 I CA 0.710 62.188 61.300 0.295 0.000 1.417 262 I CB -0.461 37.666 38.000 0.211 0.000 1.078 262 I HN 0.250 nan 8.210 nan 0.000 0.421 263 L N 0.844 122.202 121.223 0.226 0.000 1.989 263 L HA -0.212 4.205 4.340 0.128 0.000 0.211 263 L C 2.302 179.251 176.870 0.132 0.000 1.071 263 L CA 1.967 56.917 54.840 0.183 0.000 0.749 263 L CB -0.568 41.579 42.059 0.146 0.000 0.890 263 L HN 0.119 nan 8.230 nan 0.000 0.431 264 L N -1.581 119.724 121.223 0.135 0.000 1.989 264 L HA -0.226 4.191 4.340 0.128 0.000 0.211 264 L C 2.532 179.406 176.870 0.007 0.000 1.071 264 L CA 1.350 56.231 54.840 0.067 0.000 0.749 264 L CB -0.736 41.362 42.059 0.065 0.000 0.890 264 L HN 0.143 nan 8.230 nan 0.000 0.431 265 V N -0.779 119.084 119.914 -0.086 0.000 2.427 265 V HA -0.223 3.974 4.120 0.128 0.000 0.248 265 V C 2.329 178.449 176.094 0.043 0.000 1.051 265 V CA 1.342 63.594 62.300 -0.080 0.000 1.048 265 V CB 0.265 31.946 31.823 -0.236 0.000 0.666 265 V HN 0.175 nan 8.190 nan 0.000 0.456 266 V N -0.029 119.936 119.914 0.085 0.000 2.270 266 V HA -0.208 3.989 4.120 0.128 0.000 0.245 266 V C 2.674 178.819 176.094 0.086 0.000 1.043 266 V CA 1.972 64.339 62.300 0.112 0.000 1.014 266 V CB -1.037 30.881 31.823 0.159 0.000 0.645 266 V HN 0.567 nan 8.190 nan 0.000 0.447 267 A N 0.548 123.412 122.820 0.074 0.000 1.883 267 A HA -0.148 4.249 4.320 0.128 0.000 0.217 267 A C 2.406 180.023 177.584 0.054 0.000 1.186 267 A CA 2.110 54.174 52.037 0.045 0.000 0.624 267 A CB -1.331 17.684 19.000 0.025 0.000 0.822 267 A HN 0.551 nan 8.150 nan 0.000 0.444 268 G N -0.607 108.231 108.800 0.064 0.000 2.432 268 G HA2 -0.226 3.810 3.960 0.128 0.000 0.219 268 G HA3 -0.226 3.810 3.960 0.128 0.000 0.219 268 G C 1.282 176.236 174.900 0.090 0.000 1.135 268 G CA 1.140 46.287 45.100 0.078 0.000 0.767 268 G HN 0.540 nan 8.290 nan 0.000 0.550 269 N N 0.241 119.010 118.700 0.114 0.000 2.392 269 N HA 0.056 4.872 4.740 0.128 0.000 0.177 269 N C 0.839 176.478 175.510 0.215 0.000 1.066 269 N CA 0.436 53.608 53.050 0.204 0.000 0.895 269 N CB 0.467 39.127 38.487 0.289 0.000 0.988 269 N HN 0.249 nan 8.380 nan 0.000 0.457 270 E N -0.788 119.481 120.200 0.115 0.000 2.869 270 E HA 0.237 4.664 4.350 0.128 0.000 0.207 270 E C 0.136 176.751 176.600 0.025 0.000 0.986 270 E CA 0.020 56.461 56.400 0.068 0.000 1.131 270 E CB 0.991 30.708 29.700 0.028 0.000 1.098 270 E HN 0.022 nan 8.360 nan 0.000 0.459 271 T N -0.736 113.849 114.554 0.051 0.000 3.482 271 T HA -0.066 4.361 4.350 0.128 0.000 0.195 271 T C 1.637 176.377 174.700 0.067 0.000 0.940 271 T CA 0.959 63.073 62.100 0.024 0.000 1.044 271 T CB -0.059 68.818 68.868 0.016 0.000 1.209 271 T HN 0.188 nan 8.240 nan 0.000 0.318 272 T N 2.720 117.335 114.554 0.101 0.000 2.833 272 T HA -0.154 4.272 4.350 0.128 0.000 0.269 272 T C 2.021 176.799 174.700 0.129 0.000 1.054 272 T CA 2.155 64.334 62.100 0.131 0.000 1.135 272 T CB -0.367 68.596 68.868 0.159 0.000 0.869 272 T HN 0.492 nan 8.240 nan 0.000 0.466 273 R N 0.721 121.288 120.500 0.111 0.000 2.117 273 R HA -0.137 4.280 4.340 0.128 0.000 0.243 273 R C 1.958 178.321 176.300 0.105 0.000 1.143 273 R CA 2.267 58.429 56.100 0.103 0.000 0.968 273 R CB -0.913 29.463 30.300 0.128 0.000 0.863 273 R HN 0.512 nan 8.270 nan 0.000 0.444 274 N N 0.979 119.746 118.700 0.111 0.000 2.250 274 N HA 0.001 4.818 4.740 0.128 0.000 0.181 274 N C 1.939 177.578 175.510 0.215 0.000 1.017 274 N CA 0.983 54.114 53.050 0.135 0.000 0.866 274 N CB -0.104 38.466 38.487 0.138 0.000 0.985 274 N HN 0.350 nan 8.380 nan 0.000 0.429 275 A N 1.370 124.301 122.820 0.184 0.000 1.892 275 A HA -0.167 4.229 4.320 0.128 0.000 0.218 275 A C 2.129 179.902 177.584 0.314 0.000 1.188 275 A CA 1.260 53.429 52.037 0.220 0.000 0.631 275 A CB -0.833 18.269 19.000 0.170 0.000 0.822 275 A HN 0.216 nan 8.150 nan 0.000 0.447 276 I N -0.630 120.115 120.570 0.292 0.000 2.179 276 I HA -0.220 4.026 4.170 0.128 0.000 0.242 276 I C 2.599 178.878 176.117 0.271 0.000 1.088 276 I CA 1.808 63.314 61.300 0.343 0.000 1.357 276 I CB -0.576 37.510 38.000 0.143 0.000 1.051 276 I HN 0.286 nan 8.210 nan 0.000 0.409 277 T N -1.006 113.630 114.554 0.136 0.000 2.777 277 T HA -0.151 4.276 4.350 0.128 0.000 0.266 277 T C 1.893 176.611 174.700 0.030 0.000 1.040 277 T CA 1.079 63.200 62.100 0.035 0.000 1.141 277 T CB -0.390 68.437 68.868 -0.069 0.000 0.868 277 T HN 0.323 nan 8.240 nan 0.000 0.444 278 H N 0.725 119.860 119.070 0.107 0.000 2.387 278 H HA -0.031 4.602 4.556 0.127 0.000 0.299 278 H C 2.667 178.098 175.328 0.172 0.000 1.099 278 H CA 1.458 57.575 56.048 0.114 0.000 1.315 278 H CB -0.754 29.067 29.762 0.099 0.000 1.380 278 H HN 0.455 nan 8.280 nan 0.000 0.513 279 G N 0.394 109.426 108.800 0.387 0.000 2.446 279 G HA2 -0.222 3.815 3.960 0.128 0.000 0.217 279 G HA3 -0.222 3.815 3.960 0.128 0.000 0.217 279 G C 1.985 177.124 174.900 0.398 0.000 1.168 279 G CA 1.211 46.549 45.100 0.397 0.000 0.771 279 G HN 0.293 nan 8.290 nan 0.000 0.551 280 V N 0.579 120.763 119.914 0.450 0.000 2.358 280 V HA -0.104 4.092 4.120 0.128 0.000 0.246 280 V C 2.681 178.856 176.094 0.136 0.000 1.047 280 V CA 1.529 64.022 62.300 0.321 0.000 1.035 280 V CB -0.370 31.565 31.823 0.186 0.000 0.658 280 V HN 0.342 nan 8.190 nan 0.000 0.452 281 L N 0.969 122.238 121.223 0.077 0.000 2.042 281 L HA -0.120 4.297 4.340 0.128 0.000 0.210 281 L C 2.440 179.262 176.870 -0.079 0.000 1.076 281 L CA 2.469 57.310 54.840 0.001 0.000 0.749 281 L CB -1.043 41.019 42.059 0.004 0.000 0.893 281 L HN 0.235 nan 8.230 nan 0.000 0.432 282 A N -0.610 122.139 122.820 -0.119 0.000 1.877 282 A HA -0.149 4.248 4.320 0.128 0.000 0.216 282 A C 2.250 179.645 177.584 -0.314 0.000 1.186 282 A CA 1.842 53.619 52.037 -0.434 0.000 0.620 282 A CB -0.871 17.372 19.000 -1.262 0.000 0.822 282 A HN 0.500 nan 8.150 nan 0.000 0.443 283 L N -0.190 120.986 121.223 -0.078 0.000 2.079 283 L HA -0.192 4.225 4.340 0.128 0.000 0.210 283 L C 2.797 179.638 176.870 -0.048 0.000 1.081 283 L CA 1.546 56.401 54.840 0.026 0.000 0.752 283 L CB -0.650 41.455 42.059 0.077 0.000 0.896 283 L HN 0.331 nan 8.230 nan 0.000 0.433 284 S N -0.407 115.256 115.700 -0.063 0.000 2.382 284 S HA -0.149 4.398 4.470 0.128 0.000 0.228 284 S C 2.057 176.554 174.600 -0.172 0.000 1.027 284 S CA 1.175 59.328 58.200 -0.078 0.000 0.991 284 S CB -0.202 62.971 63.200 -0.046 0.000 0.823 284 S HN 0.396 nan 8.310 nan 0.000 0.469 285 R N -0.269 120.018 120.500 -0.354 0.000 2.093 285 R HA 0.030 4.446 4.340 0.128 0.000 0.224 285 R C -0.155 175.750 176.300 -0.658 0.000 1.101 285 R CA 0.826 56.557 56.100 -0.615 0.000 0.979 285 R CB -0.023 29.651 30.300 -1.043 0.000 0.877 285 R HN 0.399 nan 8.270 nan 0.000 0.441 286 Y N -0.003 120.273 120.300 -0.040 0.000 2.915 286 Y HA 0.310 4.936 4.550 0.127 0.000 0.350 286 Y C -1.953 173.941 175.900 -0.010 0.000 1.061 286 Y CA -3.215 54.879 58.100 -0.010 0.000 1.179 286 Y CB 0.915 39.387 38.460 0.020 0.000 1.180 286 Y HN -0.014 nan 8.280 nan 0.000 0.605 287 P HA -0.130 nan 4.420 nan 0.000 0.225 287 P C 1.489 178.798 177.300 0.016 0.000 1.156 287 P CA 0.971 64.079 63.100 0.014 0.000 0.787 287 P CB 0.529 32.230 31.700 0.001 0.000 0.802 288 E N 0.847 121.076 120.200 0.048 0.000 2.097 288 E HA -0.266 4.161 4.350 0.128 0.000 0.196 288 E C 1.932 178.541 176.600 0.014 0.000 1.000 288 E CA 1.756 58.175 56.400 0.032 0.000 0.804 288 E CB -1.068 28.654 29.700 0.035 0.000 0.740 288 E HN 0.113 nan 8.360 nan 0.000 0.454 289 Q N 0.327 120.148 119.800 0.035 0.000 2.096 289 Q HA -0.183 4.233 4.340 0.128 0.000 0.204 289 Q C 2.360 178.342 176.000 -0.030 0.000 0.982 289 Q CA 1.863 57.664 55.803 -0.003 0.000 0.850 289 Q CB -0.620 28.144 28.738 0.042 0.000 0.901 289 Q HN 0.457 nan 8.270 nan 0.000 0.422 290 R N 0.896 121.341 120.500 -0.092 0.000 2.083 290 R HA -0.185 4.232 4.340 0.128 0.000 0.237 290 R C 1.314 177.399 176.300 -0.358 0.000 1.137 290 R CA 1.869 57.736 56.100 -0.389 0.000 0.951 290 R CB -0.061 29.975 30.300 -0.440 0.000 0.851 290 R HN 0.141 nan 8.270 nan 0.000 0.434 291 D N 0.100 120.422 120.400 -0.130 0.000 2.092 291 D HA -0.157 4.560 4.640 0.128 0.000 0.193 291 D C 2.093 178.452 176.300 0.098 0.000 0.994 291 D CA 1.065 55.068 54.000 0.005 0.000 0.828 291 D CB -0.287 40.529 40.800 0.027 0.000 0.963 291 D HN 0.196 nan 8.370 nan 0.000 0.450 292 R N -0.454 120.093 120.500 0.078 0.000 2.091 292 R HA -0.155 4.261 4.340 0.128 0.000 0.238 292 R C 2.197 178.641 176.300 0.240 0.000 1.136 292 R CA 0.908 57.075 56.100 0.113 0.000 0.959 292 R CB -0.496 29.827 30.300 0.038 0.000 0.856 292 R HN 0.336 nan 8.270 nan 0.000 0.437 293 W N 0.176 121.497 121.300 0.035 0.000 2.418 293 W HA -0.096 4.640 4.660 0.127 0.000 0.292 293 W C 1.652 178.476 176.519 0.507 0.000 1.213 293 W CA 0.254 57.692 57.345 0.155 0.000 1.283 293 W CB -0.824 28.676 29.460 0.066 0.000 1.119 293 W HN 0.135 nan 8.180 nan 0.000 0.542 294 W N 0.073 121.496 121.300 0.205 0.000 2.425 294 W HA -0.164 4.572 4.660 0.127 0.000 0.277 294 W C 2.291 178.874 176.519 0.108 0.000 1.231 294 W CA 0.846 58.252 57.345 0.101 0.000 1.248 294 W CB -0.507 28.993 29.460 0.067 0.000 1.117 294 W HN -0.270 nan 8.180 nan 0.000 0.568 295 S N -0.944 114.973 115.700 0.362 0.000 2.489 295 S HA -0.119 4.428 4.470 0.128 0.000 0.228 295 S C 0.167 174.892 174.600 0.210 0.000 0.995 295 S CA 0.986 59.323 58.200 0.228 0.000 0.934 295 S CB -0.157 63.146 63.200 0.171 0.000 0.771 295 S HN 0.141 nan 8.310 nan 0.000 0.522 296 D N -0.515 120.052 120.400 0.278 0.000 3.118 296 D HA 0.191 4.908 4.640 0.128 0.000 0.259 296 D C 0.151 176.657 176.300 0.343 0.000 1.292 296 D CA -0.458 53.690 54.000 0.247 0.000 0.784 296 D CB -0.551 40.354 40.800 0.175 0.000 1.413 296 D HN 0.012 nan 8.370 nan 0.000 0.583 297 F N 1.335 121.398 119.950 0.188 0.000 2.051 297 F HA -0.114 4.490 4.527 0.127 0.000 0.296 297 F C 1.594 177.583 175.800 0.315 0.000 1.122 297 F CA 1.726 59.829 58.000 0.173 0.000 1.201 297 F CB 0.311 39.244 39.000 -0.111 0.000 0.978 297 F HN 0.103 nan 8.300 nan 0.000 0.472 298 D N -0.148 120.475 120.400 0.373 0.000 2.178 298 D HA -0.088 4.628 4.640 0.128 0.000 0.202 298 D C 2.394 178.777 176.300 0.137 0.000 0.974 298 D CA 1.336 55.485 54.000 0.249 0.000 0.841 298 D CB -0.948 39.984 40.800 0.220 0.000 0.953 298 D HN 0.467 nan 8.370 nan 0.000 0.478 299 G N -0.010 108.870 108.800 0.133 0.000 2.403 299 G HA2 -0.143 3.893 3.960 0.128 0.000 0.216 299 G HA3 -0.143 3.893 3.960 0.128 0.000 0.216 299 G C 1.396 176.314 174.900 0.030 0.000 1.154 299 G CA 0.142 45.288 45.100 0.077 0.000 0.784 299 G HN 0.179 nan 8.290 nan 0.000 0.538 300 L N 0.660 121.913 121.223 0.049 0.000 2.554 300 L HA 0.473 4.890 4.340 0.128 0.000 0.225 300 L C 2.875 179.563 176.870 -0.303 0.000 1.104 300 L CA 0.633 55.404 54.840 -0.115 0.000 0.866 300 L CB -0.202 41.799 42.059 -0.097 0.000 1.047 300 L HN 0.221 nan 8.230 nan 0.000 0.468 301 A N 0.744 123.513 122.820 -0.085 0.000 1.917 301 A HA -0.148 4.249 4.320 0.128 0.000 0.219 301 A C -0.191 177.295 177.584 -0.164 0.000 1.182 301 A CA 1.946 53.917 52.037 -0.111 0.000 0.633 301 A CB -1.716 17.268 19.000 -0.026 0.000 0.819 301 A HN 0.333 nan 8.150 nan 0.000 0.448 302 P HA -0.123 nan 4.420 nan 0.000 0.215 302 P C 1.807 179.041 177.300 -0.109 0.000 1.157 302 P CA 2.219 65.286 63.100 -0.055 0.000 0.863 302 P CB -0.362 31.326 31.700 -0.020 0.000 0.787 303 T N -3.103 111.344 114.554 -0.178 0.000 2.951 303 T HA 0.071 4.497 4.350 0.128 0.000 0.268 303 T C 1.905 176.383 174.700 -0.371 0.000 1.073 303 T CA 0.970 62.945 62.100 -0.209 0.000 1.134 303 T CB -1.078 67.672 68.868 -0.196 0.000 0.884 303 T HN -0.030 nan 8.240 nan 0.000 0.479 304 A N 1.208 123.658 122.820 -0.617 0.000 1.898 304 A HA 0.113 4.509 4.320 0.128 0.000 0.216 304 A C 2.587 179.773 177.584 -0.663 0.000 1.181 304 A CA 1.416 52.869 52.037 -0.972 0.000 0.620 304 A CB -1.047 16.694 19.000 -2.099 0.000 0.819 304 A HN 0.394 nan 8.150 nan 0.000 0.442 305 V N 0.435 120.103 119.914 -0.410 0.000 2.358 305 V HA -0.192 4.004 4.120 0.128 0.000 0.246 305 V C 2.542 178.596 176.094 -0.067 0.000 1.047 305 V CA 2.068 64.285 62.300 -0.138 0.000 1.035 305 V CB -0.691 31.159 31.823 0.047 0.000 0.658 305 V HN 0.524 nan 8.190 nan 0.000 0.452 306 E N 0.032 120.211 120.200 -0.036 0.000 2.110 306 E HA -0.255 4.172 4.350 0.128 0.000 0.193 306 E C 2.163 178.665 176.600 -0.163 0.000 0.988 306 E CA 1.455 57.880 56.400 0.042 0.000 0.804 306 E CB -0.195 29.631 29.700 0.209 0.000 0.745 306 E HN 0.683 nan 8.360 nan 0.000 0.458 307 E N 0.854 120.934 120.200 -0.200 0.000 2.152 307 E HA -0.043 4.384 4.350 0.128 0.000 0.192 307 E C 2.031 178.588 176.600 -0.071 0.000 0.983 307 E CA 0.436 56.703 56.400 -0.221 0.000 0.818 307 E CB -0.213 29.230 29.700 -0.429 0.000 0.758 307 E HN 0.216 nan 8.360 nan 0.000 0.467 308 I N -0.390 120.139 120.570 -0.067 0.000 2.286 308 I HA -0.243 4.004 4.170 0.128 0.000 0.248 308 I C 2.057 178.229 176.117 0.091 0.000 1.115 308 I CA 0.677 62.067 61.300 0.150 0.000 1.392 308 I CB -0.111 37.922 38.000 0.055 0.000 1.065 308 I HN 0.058 nan 8.210 nan 0.000 0.418 309 V N 0.701 120.555 119.914 -0.100 0.000 2.307 309 V HA -0.269 3.927 4.120 0.128 0.000 0.245 309 V C 2.616 178.498 176.094 -0.353 0.000 1.045 309 V CA 1.848 63.989 62.300 -0.266 0.000 1.024 309 V CB -0.749 30.806 31.823 -0.447 0.000 0.651 309 V HN 0.416 nan 8.190 nan 0.000 0.449 310 R N -1.014 119.204 120.500 -0.471 0.000 2.091 310 R HA -0.239 4.178 4.340 0.128 0.000 0.238 310 R C 2.308 178.571 176.300 -0.063 0.000 1.136 310 R CA 2.245 58.167 56.100 -0.297 0.000 0.959 310 R CB -0.316 29.851 30.300 -0.221 0.000 0.856 310 R HN 0.715 nan 8.270 nan 0.000 0.437 311 W N 0.497 121.725 121.300 -0.120 0.000 2.407 311 W HA -0.113 4.624 4.660 0.128 0.000 0.305 311 W C 1.887 178.367 176.519 -0.066 0.000 1.196 311 W CA 1.347 58.682 57.345 -0.017 0.000 1.311 311 W CB -0.178 29.384 29.460 0.170 0.000 1.135 311 W HN 0.260 nan 8.180 nan 0.000 0.514 312 A N 0.478 123.353 122.820 0.093 0.000 1.969 312 A HA -0.096 4.301 4.320 0.128 0.000 0.218 312 A C 1.254 178.786 177.584 -0.086 0.000 1.169 312 A CA 1.336 53.313 52.037 -0.100 0.000 0.635 312 A CB -1.116 17.913 19.000 0.049 0.000 0.810 312 A HN 0.181 nan 8.150 nan 0.000 0.445 313 S N 0.296 115.930 115.700 -0.111 0.000 3.229 313 S HA -0.114 4.433 4.470 0.128 0.000 0.319 313 S C -1.452 173.103 174.600 -0.074 0.000 0.897 313 S CA 0.710 58.838 58.200 -0.121 0.000 1.333 313 S CB -0.843 62.286 63.200 -0.119 0.000 0.914 313 S HN 0.500 nan 8.310 nan 0.000 0.498 314 P HA -0.037 nan 4.420 nan 0.000 0.218 314 P C 0.262 177.497 177.300 -0.109 0.000 1.148 314 P CA 0.832 63.907 63.100 -0.042 0.000 0.822 314 P CB 0.233 31.896 31.700 -0.063 0.000 0.784 315 V N 0.075 119.875 119.914 -0.190 0.000 2.350 315 V HA 0.052 4.248 4.120 0.128 0.000 0.276 315 V C 1.487 177.506 176.094 -0.125 0.000 1.028 315 V CA -0.069 62.050 62.300 -0.302 0.000 0.860 315 V CB 1.531 33.150 31.823 -0.339 0.000 0.990 315 V HN -0.182 nan 8.190 nan 0.000 0.453 316 V N 4.792 124.602 119.914 -0.173 0.000 2.379 316 V HA -0.027 4.170 4.120 0.128 0.000 0.245 316 V C 0.436 176.530 176.094 -0.000 0.000 1.044 316 V CA 1.589 63.892 62.300 0.006 0.000 1.036 316 V CB -0.586 31.306 31.823 0.114 0.000 0.664 316 V HN 0.941 nan 8.190 nan 0.000 0.453 317 Y N -2.721 117.432 120.300 -0.244 0.000 2.609 317 Y HA 0.793 5.417 4.550 0.123 0.000 0.336 317 Y C -1.119 174.592 175.900 -0.315 0.000 1.129 317 Y CA -1.949 55.723 58.100 -0.713 0.000 1.040 317 Y CB 1.096 38.604 38.460 -1.586 0.000 1.310 317 Y HN -0.176 nan 8.280 nan 0.000 0.460 318 M N 3.156 122.520 119.600 -0.393 0.000 2.662 318 M HA 0.500 5.057 4.480 0.128 0.000 0.310 318 M C -0.820 175.451 176.300 -0.048 0.000 1.204 318 M CA -0.734 54.483 55.300 -0.138 0.000 0.891 318 M CB 2.600 35.217 32.600 0.029 0.000 1.732 318 M HN 0.969 nan 8.290 nan 0.000 0.467 319 R N 1.227 121.723 120.500 -0.007 0.000 2.598 319 R HA 0.638 5.054 4.340 0.128 0.000 0.279 319 R C -0.800 175.493 176.300 -0.012 0.000 0.984 319 R CA -0.483 55.601 56.100 -0.026 0.000 0.999 319 R CB 1.356 31.628 30.300 -0.047 0.000 1.114 319 R HN 0.632 nan 8.270 nan 0.000 0.493 320 R N 0.768 121.303 120.500 0.059 0.000 2.930 320 R HA 0.497 4.913 4.340 0.128 0.000 0.257 320 R C -0.945 175.441 176.300 0.144 0.000 1.107 320 R CA -0.814 55.358 56.100 0.120 0.000 0.999 320 R CB 2.069 32.519 30.300 0.250 0.000 1.209 320 R HN 0.659 nan 8.270 nan 0.000 0.486 321 T N 1.103 115.738 114.554 0.135 0.000 2.921 321 T HA 0.441 4.868 4.350 0.128 0.000 0.297 321 T C 0.021 174.764 174.700 0.072 0.000 1.013 321 T CA -0.680 61.486 62.100 0.110 0.000 0.990 321 T CB 1.547 70.459 68.868 0.072 0.000 1.023 321 T HN 0.205 nan 8.240 nan 0.000 0.447 322 L N 2.796 124.035 121.223 0.027 0.000 2.416 322 L HA 0.290 4.706 4.340 0.128 0.000 0.272 322 L C 1.790 178.636 176.870 -0.040 0.000 1.161 322 L CA -0.243 54.536 54.840 -0.101 0.000 0.845 322 L CB 0.794 42.769 42.059 -0.141 0.000 1.119 322 L HN 0.912 nan 8.230 nan 0.000 0.464 323 T N -1.311 113.205 114.554 -0.063 0.000 3.069 323 T HA 0.143 4.569 4.350 0.128 0.000 0.252 323 T C 0.186 174.867 174.700 -0.030 0.000 1.053 323 T CA -0.260 61.830 62.100 -0.016 0.000 0.964 323 T CB 0.098 68.966 68.868 -0.001 0.000 1.005 323 T HN 0.707 nan 8.240 nan 0.000 0.532 324 Q N -0.277 119.482 119.800 -0.068 0.000 2.647 324 Q HA 0.377 4.793 4.340 0.128 0.000 0.283 324 Q C -2.208 173.738 176.000 -0.091 0.000 0.943 324 Q CA -1.059 54.708 55.803 -0.061 0.000 0.813 324 Q CB 0.566 29.275 28.738 -0.049 0.000 1.477 324 Q HN -0.062 nan 8.270 nan 0.000 0.393 325 D N 0.981 121.342 120.400 -0.065 0.000 2.449 325 D HA 0.448 5.165 4.640 0.128 0.000 0.236 325 D C -0.636 175.605 176.300 -0.098 0.000 1.149 325 D CA 0.595 54.550 54.000 -0.074 0.000 0.878 325 D CB 0.720 41.490 40.800 -0.050 0.000 1.198 325 D HN 0.473 nan 8.370 nan 0.000 0.446 326 I N 0.393 120.891 120.570 -0.121 0.000 2.842 326 I HA 0.149 4.395 4.170 0.128 0.000 0.297 326 I C -1.348 174.699 176.117 -0.116 0.000 1.380 326 I CA -0.511 60.725 61.300 -0.107 0.000 1.018 326 I CB 2.169 40.087 38.000 -0.138 0.000 1.311 326 I HN 0.262 nan 8.210 nan 0.000 0.439 327 E N 6.976 127.122 120.200 -0.090 0.000 2.187 327 E HA 0.708 5.135 4.350 0.128 0.000 0.268 327 E C -1.952 174.594 176.600 -0.091 0.000 0.896 327 E CA -0.578 55.756 56.400 -0.110 0.000 0.766 327 E CB 1.355 30.997 29.700 -0.096 0.000 1.142 327 E HN 0.613 nan 8.360 nan 0.000 0.408 328 L N 4.265 125.432 121.223 -0.093 0.000 2.408 328 L HA 0.493 4.910 4.340 0.128 0.000 0.268 328 L C 0.378 177.212 176.870 -0.059 0.000 0.986 328 L CA -0.969 53.827 54.840 -0.074 0.000 0.820 328 L CB 1.875 43.922 42.059 -0.019 0.000 1.303 328 L HN 0.759 nan 8.230 nan 0.000 0.411 329 R N 2.171 122.641 120.500 -0.051 0.000 3.516 329 R HA -0.220 4.197 4.340 0.128 0.000 0.271 329 R C 0.899 177.184 176.300 -0.025 0.000 1.098 329 R CA 0.791 56.878 56.100 -0.021 0.000 0.732 329 R CB -1.280 29.029 30.300 0.014 0.000 1.152 329 R HN 1.199 nan 8.270 nan 0.000 0.455 330 G N -1.879 106.894 108.800 -0.045 0.000 2.184 330 G HA2 -0.322 3.714 3.960 0.128 0.000 0.264 330 G HA3 -0.322 3.714 3.960 0.128 0.000 0.264 330 G C 0.094 174.953 174.900 -0.068 0.000 0.975 330 G CA 0.645 45.717 45.100 -0.046 0.000 0.642 330 G HN 0.420 nan 8.290 nan 0.000 0.536 331 T N 1.415 115.906 114.554 -0.105 0.000 2.756 331 T HA 0.494 4.920 4.350 0.128 0.000 0.290 331 T C 0.238 174.768 174.700 -0.283 0.000 0.985 331 T CA -0.416 61.568 62.100 -0.193 0.000 0.955 331 T CB 1.386 70.115 68.868 -0.231 0.000 0.930 331 T HN 0.305 nan 8.240 nan 0.000 0.451 332 K N 3.891 124.134 120.400 -0.261 0.000 2.339 332 K HA 0.438 4.835 4.320 0.128 0.000 0.286 332 K C -0.174 176.180 176.600 -0.409 0.000 1.050 332 K CA 0.027 56.165 56.287 -0.248 0.000 0.956 332 K CB 0.642 33.061 32.500 -0.134 0.000 0.990 332 K HN 0.485 nan 8.250 nan 0.000 0.475 333 M N 1.915 121.278 119.600 -0.396 0.000 2.598 333 M HA 0.451 5.007 4.480 0.128 0.000 0.317 333 M C -0.585 175.639 176.300 -0.127 0.000 1.179 333 M CA -0.829 54.226 55.300 -0.409 0.000 0.936 333 M CB 2.244 34.489 32.600 -0.593 0.000 1.713 333 M HN 0.611 nan 8.290 nan 0.000 0.460 334 A N 1.498 124.335 122.820 0.029 0.000 2.325 334 A HA 0.865 5.261 4.320 0.128 0.000 0.333 334 A C -0.119 177.490 177.584 0.041 0.000 1.155 334 A CA -0.811 51.249 52.037 0.037 0.000 0.814 334 A CB 0.813 19.860 19.000 0.079 0.000 1.206 334 A HN 0.954 nan 8.150 nan 0.000 0.482 335 A N 0.436 123.259 122.820 0.006 0.000 2.598 335 A HA 0.416 4.812 4.320 0.128 0.000 0.239 335 A C 1.669 179.283 177.584 0.049 0.000 1.032 335 A CA 1.300 53.342 52.037 0.009 0.000 0.760 335 A CB -0.858 18.144 19.000 0.002 0.000 0.946 335 A HN 2.801 nan 8.150 nan 0.000 0.512 336 G N 2.129 110.964 108.800 0.058 0.000 2.241 336 G HA2 -0.216 3.821 3.960 0.128 0.000 0.244 336 G HA3 -0.216 3.821 3.960 0.128 0.000 0.244 336 G C 0.008 174.981 174.900 0.123 0.000 0.998 336 G CA 0.391 45.540 45.100 0.082 0.000 0.621 336 G HN 0.886 nan 8.290 nan 0.000 0.519 337 D N 1.567 122.071 120.400 0.174 0.000 2.414 337 D HA 0.436 5.153 4.640 0.128 0.000 0.242 337 D C 0.818 177.288 176.300 0.284 0.000 1.129 337 D CA 0.329 54.506 54.000 0.295 0.000 0.885 337 D CB 0.693 41.804 40.800 0.517 0.000 1.198 337 D HN 0.409 nan 8.370 nan 0.000 0.437 338 K N 0.471 121.039 120.400 0.281 0.000 2.218 338 K HA 0.491 4.887 4.320 0.128 0.000 0.276 338 K C -0.675 176.139 176.600 0.357 0.000 1.022 338 K CA -0.609 55.818 56.287 0.234 0.000 0.946 338 K CB 1.253 33.844 32.500 0.152 0.000 1.000 338 K HN 0.097 nan 8.250 nan 0.000 0.468 339 V N 1.874 121.976 119.914 0.315 0.000 2.686 339 V HA 0.243 4.440 4.120 0.128 0.000 0.306 339 V C -0.825 175.398 176.094 0.216 0.000 1.065 339 V CA -0.869 61.669 62.300 0.397 0.000 0.894 339 V CB 1.941 34.067 31.823 0.505 0.000 1.004 339 V HN 0.936 nan 8.190 nan 0.000 0.424 340 S N 5.009 120.834 115.700 0.209 0.000 2.473 340 S HA 0.809 5.356 4.470 0.128 0.000 0.307 340 S C -1.101 173.373 174.600 -0.210 0.000 1.094 340 S CA -0.736 57.390 58.200 -0.124 0.000 1.070 340 S CB 1.623 64.615 63.200 -0.346 0.000 1.019 340 S HN 0.366 nan 8.310 nan 0.000 0.480 341 L N 2.970 123.926 121.223 -0.445 0.000 2.264 341 L HA 0.415 4.832 4.340 0.128 0.000 0.287 341 L C -0.869 175.522 176.870 -0.799 0.000 1.039 341 L CA -0.347 54.211 54.840 -0.471 0.000 0.829 341 L CB -0.235 41.522 42.059 -0.503 0.000 1.211 341 L HN 0.792 nan 8.230 nan 0.000 0.427 342 W N 3.999 125.180 121.300 -0.198 0.000 2.365 342 W HA 0.233 4.972 4.660 0.131 0.000 0.371 342 W C 0.579 176.954 176.519 -0.241 0.000 1.006 342 W CA -0.351 56.875 57.345 -0.197 0.000 1.528 342 W CB -0.161 29.255 29.460 -0.074 0.000 1.497 342 W HN 0.525 nan 8.180 nan 0.000 0.367 343 Y N 1.123 121.435 120.300 0.020 0.000 2.207 343 Y HA -0.336 4.290 4.550 0.126 0.000 0.287 343 Y C 2.555 178.429 175.900 -0.042 0.000 1.156 343 Y CA 1.280 59.368 58.100 -0.019 0.000 1.182 343 Y CB -1.444 36.976 38.460 -0.067 0.000 0.979 343 Y HN 0.528 nan 8.280 nan 0.000 0.521 344 C N -2.273 117.050 119.300 0.039 0.000 2.422 344 C HA -0.118 4.418 4.460 0.128 0.000 0.279 344 C C 2.903 177.785 174.990 -0.180 0.000 1.305 344 C CA 0.741 59.685 59.018 -0.123 0.000 1.757 344 C CB -1.318 26.291 27.740 -0.218 0.000 1.962 344 C HN 0.518 nan 8.230 nan 0.000 0.499 345 S N 1.261 116.841 115.700 -0.199 0.000 2.377 345 S HA 0.130 4.677 4.470 0.128 0.000 0.223 345 S C 2.275 176.930 174.600 0.091 0.000 1.030 345 S CA 1.274 59.426 58.200 -0.080 0.000 0.970 345 S CB -0.594 62.598 63.200 -0.012 0.000 0.830 345 S HN 0.859 nan 8.310 nan 0.000 0.473 346 A N 2.113 125.026 122.820 0.155 0.000 1.940 346 A HA -0.099 4.298 4.320 0.128 0.000 0.219 346 A C 1.786 179.606 177.584 0.393 0.000 1.176 346 A CA 1.776 53.982 52.037 0.281 0.000 0.631 346 A CB -0.829 18.269 19.000 0.164 0.000 0.814 346 A HN 0.610 nan 8.150 nan 0.000 0.446 347 N N -0.542 118.263 118.700 0.175 0.000 2.571 347 N HA -0.020 4.797 4.740 0.128 0.000 0.189 347 N C 0.868 176.163 175.510 -0.360 0.000 1.154 347 N CA 0.471 53.494 53.050 -0.045 0.000 0.907 347 N CB 0.038 38.473 38.487 -0.087 0.000 0.977 347 N HN 0.337 nan 8.380 nan 0.000 0.449 348 R N -0.175 120.200 120.500 -0.207 0.000 2.549 348 R HA 0.118 4.535 4.340 0.128 0.000 0.344 348 R C -0.439 175.740 176.300 -0.202 0.000 0.979 348 R CA -0.315 55.526 56.100 -0.431 0.000 1.140 348 R CB 0.130 30.097 30.300 -0.555 0.000 1.377 348 R HN 0.084 nan 8.270 nan 0.000 0.541 349 D N 1.770 122.244 120.400 0.124 0.000 2.412 349 D HA -0.035 4.682 4.640 0.128 0.000 0.257 349 D C 0.446 176.835 176.300 0.148 0.000 1.217 349 D CA 0.393 54.509 54.000 0.193 0.000 0.897 349 D CB 1.062 42.046 40.800 0.307 0.000 1.132 349 D HN 0.001 nan 8.370 nan 0.000 0.493 350 E N 1.098 121.343 120.200 0.076 0.000 2.265 350 E HA -0.123 4.304 4.350 0.128 0.000 0.196 350 E C 1.742 178.359 176.600 0.029 0.000 0.996 350 E CA 0.884 57.315 56.400 0.051 0.000 0.832 350 E CB 0.098 29.849 29.700 0.084 0.000 0.756 350 E HN 0.412 nan 8.360 nan 0.000 0.491 351 S N -0.378 115.333 115.700 0.020 0.000 2.558 351 S HA 0.108 4.655 4.470 0.128 0.000 0.217 351 S C 1.664 176.175 174.600 -0.149 0.000 0.975 351 S CA 0.307 58.483 58.200 -0.039 0.000 0.912 351 S CB 0.262 63.451 63.200 -0.018 0.000 0.776 351 S HN -0.011 nan 8.310 nan 0.000 0.526 352 K N 0.356 120.626 120.400 -0.216 0.000 2.365 352 K HA 0.395 4.792 4.320 0.128 0.000 0.195 352 K C -0.757 175.461 176.600 -0.637 0.000 1.079 352 K CA 0.158 56.107 56.287 -0.562 0.000 0.979 352 K CB 0.325 32.192 32.500 -1.054 0.000 0.929 352 K HN 0.265 nan 8.250 nan 0.000 0.523 353 F N 1.088 120.940 119.950 -0.163 0.000 2.426 353 F HA 0.517 5.120 4.527 0.127 0.000 0.348 353 F C 0.000 175.733 175.800 -0.112 0.000 1.124 353 F CA -1.441 56.480 58.000 -0.133 0.000 1.008 353 F CB 1.501 40.426 39.000 -0.125 0.000 1.139 353 F HN -0.125 nan 8.300 nan 0.000 0.452 354 A N 2.625 125.479 122.820 0.057 0.000 2.511 354 A HA 0.222 4.618 4.320 0.128 0.000 0.242 354 A C 0.415 178.027 177.584 0.047 0.000 1.069 354 A CA -0.184 51.874 52.037 0.036 0.000 0.763 354 A CB -0.213 18.792 19.000 0.008 0.000 1.001 354 A HN 0.903 nan 8.150 nan 0.000 0.498 355 D N 1.925 122.345 120.400 0.032 0.000 2.697 355 D HA -0.138 4.579 4.640 0.128 0.000 0.238 355 D C -1.627 174.656 176.300 -0.028 0.000 1.152 355 D CA 1.002 55.022 54.000 0.034 0.000 0.666 355 D CB -0.889 39.932 40.800 0.035 0.000 1.037 355 D HN 0.562 nan 8.370 nan 0.000 0.423 356 P HA -0.160 nan 4.420 nan 0.000 0.221 356 P C 1.289 178.337 177.300 -0.421 0.000 1.145 356 P CA 1.179 64.023 63.100 -0.426 0.000 0.795 356 P CB -0.157 31.095 31.700 -0.746 0.000 0.775 357 W N 0.052 121.434 121.300 0.137 0.000 3.256 357 W HA 0.126 4.862 4.660 0.127 0.000 0.269 357 W C 0.469 177.160 176.519 0.287 0.000 1.310 357 W CA -0.112 57.361 57.345 0.212 0.000 1.673 357 W CB -0.548 28.990 29.460 0.130 0.000 1.115 357 W HN -0.232 nan 8.180 nan 0.000 0.686 358 T N 2.086 116.789 114.554 0.248 0.000 2.743 358 T HA 0.100 4.527 4.350 0.128 0.000 0.293 358 T C -0.926 173.694 174.700 -0.133 0.000 0.945 358 T CA -0.510 61.606 62.100 0.026 0.000 1.030 358 T CB 0.419 69.273 68.868 -0.023 0.000 0.912 358 T HN -0.198 nan 8.240 nan 0.000 0.483 359 F N 4.687 124.202 119.950 -0.724 0.000 2.439 359 F HA 0.332 4.935 4.527 0.127 0.000 0.356 359 F C 0.065 175.514 175.800 -0.585 0.000 1.161 359 F CA -1.228 56.160 58.000 -1.019 0.000 1.151 359 F CB 0.104 38.063 39.000 -1.735 0.000 1.222 359 F HN 0.372 nan 8.300 nan 0.000 0.558 360 D N 6.429 126.373 120.400 -0.760 0.000 2.440 360 D HA 0.183 4.900 4.640 0.128 0.000 0.252 360 D C 0.616 176.528 176.300 -0.647 0.000 1.180 360 D CA -0.349 53.310 54.000 -0.568 0.000 0.894 360 D CB 0.815 41.429 40.800 -0.310 0.000 1.111 360 D HN 0.599 nan 8.370 nan 0.000 0.544 361 L N 2.287 123.075 121.223 -0.725 0.000 2.456 361 L HA 0.030 4.447 4.340 0.128 0.000 0.224 361 L C 1.963 178.538 176.870 -0.491 0.000 1.148 361 L CA 0.852 55.263 54.840 -0.714 0.000 0.825 361 L CB -0.158 41.439 42.059 -0.770 0.000 0.937 361 L HN 0.413 nan 8.230 nan 0.000 0.450 362 A N -0.211 122.399 122.820 -0.351 0.000 2.275 362 A HA 0.002 4.398 4.320 0.128 0.000 0.212 362 A C 1.215 178.688 177.584 -0.185 0.000 1.201 362 A CA -0.335 51.561 52.037 -0.235 0.000 0.843 362 A CB -0.282 18.619 19.000 -0.166 0.000 0.873 362 A HN 0.270 nan 8.150 nan 0.000 0.492 363 R N 1.047 121.423 120.500 -0.206 0.000 2.501 363 R HA -0.013 4.403 4.340 0.128 0.000 0.319 363 R C -0.927 175.328 176.300 -0.074 0.000 0.913 363 R CA 0.675 56.701 56.100 -0.123 0.000 1.104 363 R CB -0.277 29.956 30.300 -0.111 0.000 0.901 363 R HN 0.439 nan 8.270 nan 0.000 0.407 364 N N 4.705 123.375 118.700 -0.050 0.000 2.425 364 N HA 0.362 5.179 4.740 0.128 0.000 0.289 364 N C -2.531 172.960 175.510 -0.032 0.000 1.074 364 N CA -1.247 51.782 53.050 -0.035 0.000 0.905 364 N CB 1.326 39.785 38.487 -0.047 0.000 1.586 364 N HN 0.414 nan 8.380 nan 0.000 0.490 365 P HA 0.346 nan 4.420 nan 0.000 0.275 365 P C -1.122 176.197 177.300 0.030 0.000 1.266 365 P CA -0.264 62.826 63.100 -0.017 0.000 0.793 365 P CB 0.550 32.222 31.700 -0.048 0.000 1.074 366 N N 0.504 119.252 118.700 0.081 0.000 2.722 366 N HA 0.169 4.986 4.740 0.128 0.000 0.242 366 N C -2.503 173.155 175.510 0.247 0.000 1.398 366 N CA -1.374 51.816 53.050 0.234 0.000 0.755 366 N CB 0.583 39.214 38.487 0.241 0.000 1.268 366 N HN 0.154 nan 8.380 nan 0.000 0.522 367 P HA 0.099 nan 4.420 nan 0.000 0.243 367 P C -0.258 177.233 177.300 0.317 0.000 1.668 367 P CA -0.179 62.977 63.100 0.094 0.000 0.898 367 P CB -1.016 30.633 31.700 -0.085 0.000 1.637 368 H N -0.766 118.595 119.070 0.486 0.000 2.913 368 H HA 0.097 4.729 4.556 0.127 0.000 0.365 368 H C 0.388 175.911 175.328 0.326 0.000 1.155 368 H CA -0.390 55.965 56.048 0.512 0.000 1.417 368 H CB 0.346 30.256 29.762 0.247 0.000 1.386 368 H HN -0.026 nan 8.280 nan 0.000 0.614 369 L N 3.054 124.473 121.223 0.327 0.000 3.073 369 L HA 0.280 4.697 4.340 0.128 0.000 0.242 369 L C 1.767 178.638 176.870 0.003 0.000 1.317 369 L CA 0.156 55.074 54.840 0.129 0.000 1.081 369 L CB 0.081 42.197 42.059 0.095 0.000 1.456 369 L HN 1.047 nan 8.230 nan 0.000 0.525 370 G N -0.010 108.913 108.800 0.206 0.000 2.448 370 G HA2 -0.186 3.850 3.960 0.128 0.000 0.218 370 G HA3 -0.186 3.850 3.960 0.128 0.000 0.218 370 G C 0.900 175.488 174.900 -0.520 0.000 1.135 370 G CA 0.409 45.373 45.100 -0.226 0.000 0.784 370 G HN 0.313 nan 8.290 nan 0.000 0.543 371 F N 1.301 121.205 119.950 -0.077 0.000 2.645 371 F HA 0.453 5.056 4.527 0.126 0.000 0.300 371 F C 1.506 177.091 175.800 -0.358 0.000 1.115 371 F CA -0.068 57.772 58.000 -0.266 0.000 1.355 371 F CB 0.147 38.989 39.000 -0.264 0.000 1.026 371 F HN 0.354 nan 8.300 nan 0.000 0.536 372 G N 0.131 108.676 108.800 -0.426 0.000 2.660 372 G HA2 -0.034 4.003 3.960 0.128 0.000 0.247 372 G HA3 -0.034 4.003 3.960 0.128 0.000 0.247 372 G C 0.792 175.677 174.900 -0.024 0.000 1.328 372 G CA -0.555 44.231 45.100 -0.523 0.000 0.884 372 G HN 0.457 nan 8.290 nan 0.000 0.531 373 G N -0.371 108.485 108.800 0.094 0.000 3.141 373 G HA2 0.681 4.718 3.960 0.128 0.000 0.218 373 G HA3 0.681 4.718 3.960 0.128 0.000 0.218 373 G C 1.337 176.230 174.900 -0.011 0.000 1.170 373 G CA 1.593 46.740 45.100 0.079 0.000 0.769 373 G HN 2.612 nan 8.290 nan 0.000 0.546 374 G N -1.680 107.186 108.800 0.109 0.000 2.661 374 G HA2 0.477 4.513 3.960 0.128 0.000 0.685 374 G HA3 0.477 4.513 3.960 0.128 0.000 0.685 374 G C 0.490 175.362 174.900 -0.047 0.000 1.298 374 G CA 0.071 45.182 45.100 0.018 0.000 0.855 374 G HN 2.146 nan 8.290 nan 0.000 0.560 375 G N -1.321 107.433 108.800 -0.076 0.000 2.545 375 G HA2 0.387 4.423 3.960 0.128 0.000 0.216 375 G HA3 0.387 4.423 3.960 0.128 0.000 0.216 375 G C 1.448 176.352 174.900 0.006 0.000 1.314 375 G CA 1.708 46.762 45.100 -0.076 0.000 0.906 375 G HN 2.484 nan 8.290 nan 0.000 0.563 376 A N -1.610 121.190 122.820 -0.034 0.000 1.978 376 A HA 0.024 4.421 4.320 0.128 0.000 0.220 376 A C 1.631 179.120 177.584 -0.158 0.000 1.170 376 A CA 2.334 54.316 52.037 -0.093 0.000 0.636 376 A CB -0.472 18.402 19.000 -0.210 0.000 0.810 376 A HN 0.830 nan 8.150 nan 0.000 0.448 377 H N -2.604 116.473 119.070 0.011 0.000 2.505 377 H HA 0.161 4.793 4.556 0.127 0.000 0.286 377 H C -0.327 175.045 175.328 0.074 0.000 1.072 377 H CA -0.760 55.308 56.048 0.033 0.000 1.141 377 H CB -0.256 29.464 29.762 -0.070 0.000 1.550 377 H HN 0.471 nan 8.280 nan 0.000 0.547 378 F N 2.503 122.479 119.950 0.043 0.000 2.623 378 F HA -0.116 4.488 4.527 0.127 0.000 0.386 378 F C 0.969 176.776 175.800 0.012 0.000 1.068 378 F CA -0.537 57.473 58.000 0.017 0.000 1.265 378 F CB 0.291 39.282 39.000 -0.015 0.000 1.026 378 F HN 0.190 nan 8.300 nan 0.000 0.568 379 C N 8.822 127.549 119.300 -0.956 0.000 2.298 379 C HA -0.041 4.496 4.460 0.128 0.000 0.395 379 C C 1.709 176.393 174.990 -0.510 0.000 1.526 379 C CA -0.214 58.437 59.018 -0.612 0.000 1.458 379 C CB -1.647 25.776 27.740 -0.530 0.000 2.506 379 C HN 1.036 nan 8.230 nan 0.000 0.604 380 L N 6.083 127.132 121.223 -0.291 0.000 2.141 380 L HA 0.218 4.634 4.340 0.128 0.000 0.209 380 L C 2.194 178.888 176.870 -0.294 0.000 1.094 380 L CA 2.356 57.026 54.840 -0.283 0.000 0.763 380 L CB -0.685 41.137 42.059 -0.395 0.000 0.908 380 L HN 0.888 nan 8.230 nan 0.000 0.437 381 G N -1.647 106.995 108.800 -0.262 0.000 3.124 381 G HA2 0.155 4.192 3.960 0.128 0.000 0.212 381 G HA3 0.155 4.192 3.960 0.128 0.000 0.212 381 G C 1.453 176.289 174.900 -0.107 0.000 1.181 381 G CA 0.442 45.510 45.100 -0.054 0.000 0.803 381 G HN 0.567 nan 8.290 nan 0.000 0.529 382 A N 1.634 124.232 122.820 -0.371 0.000 1.908 382 A HA -0.146 4.251 4.320 0.128 0.000 0.218 382 A C 2.152 179.517 177.584 -0.365 0.000 1.181 382 A CA 1.891 53.440 52.037 -0.813 0.000 0.627 382 A CB -0.399 17.905 19.000 -1.160 0.000 0.818 382 A HN 0.480 nan 8.150 nan 0.000 0.445 383 N N -0.526 118.107 118.700 -0.110 0.000 2.207 383 N HA -0.034 4.782 4.740 0.128 0.000 0.182 383 N C 1.574 177.113 175.510 0.049 0.000 1.020 383 N CA 1.010 54.057 53.050 -0.005 0.000 0.858 383 N CB -0.265 38.249 38.487 0.044 0.000 0.991 383 N HN 0.372 nan 8.380 nan 0.000 0.427 384 L N 1.479 122.754 121.223 0.088 0.000 1.990 384 L HA -0.185 4.232 4.340 0.128 0.000 0.213 384 L C 2.150 179.092 176.870 0.120 0.000 1.072 384 L CA 1.728 56.634 54.840 0.109 0.000 0.755 384 L CB -0.887 41.275 42.059 0.171 0.000 0.889 384 L HN 0.194 nan 8.230 nan 0.000 0.432 385 A N -0.475 122.425 122.820 0.132 0.000 1.883 385 A HA -0.275 4.121 4.320 0.128 0.000 0.217 385 A C 2.394 180.118 177.584 0.234 0.000 1.186 385 A CA 2.160 54.319 52.037 0.204 0.000 0.624 385 A CB -0.643 18.549 19.000 0.320 0.000 0.822 385 A HN 0.550 nan 8.150 nan 0.000 0.444 386 R N -1.264 119.363 120.500 0.212 0.000 2.091 386 R HA -0.151 4.266 4.340 0.128 0.000 0.238 386 R C 2.501 178.925 176.300 0.207 0.000 1.136 386 R CA 1.776 58.012 56.100 0.228 0.000 0.959 386 R CB -0.274 30.129 30.300 0.172 0.000 0.856 386 R HN 0.543 nan 8.270 nan 0.000 0.437 387 R N 1.275 121.873 120.500 0.163 0.000 2.075 387 R HA -0.105 4.312 4.340 0.128 0.000 0.232 387 R C 1.766 178.167 176.300 0.168 0.000 1.126 387 R CA 1.546 57.738 56.100 0.154 0.000 0.963 387 R CB 0.025 30.390 30.300 0.108 0.000 0.858 387 R HN 0.255 nan 8.270 nan 0.000 0.435 388 E N -0.046 120.249 120.200 0.158 0.000 2.085 388 E HA -0.203 4.223 4.350 0.128 0.000 0.194 388 E C 1.931 178.661 176.600 0.216 0.000 0.994 388 E CA 1.698 58.188 56.400 0.150 0.000 0.801 388 E CB -0.149 29.628 29.700 0.128 0.000 0.743 388 E HN 0.408 nan 8.360 nan 0.000 0.453 389 I N 0.539 121.279 120.570 0.285 0.000 2.252 389 I HA -0.240 4.006 4.170 0.128 0.000 0.245 389 I C 2.710 179.158 176.117 0.552 0.000 1.102 389 I CA 0.932 62.487 61.300 0.425 0.000 1.385 389 I CB -0.221 38.022 38.000 0.405 0.000 1.064 389 I HN 0.013 nan 8.210 nan 0.000 0.414 390 R N 1.082 121.843 120.500 0.436 0.000 2.070 390 R HA -0.150 4.266 4.340 0.128 0.000 0.233 390 R C 2.272 178.858 176.300 0.476 0.000 1.137 390 R CA 1.822 58.225 56.100 0.504 0.000 0.945 390 R CB -0.340 30.180 30.300 0.368 0.000 0.845 390 R HN 0.124 nan 8.270 nan 0.000 0.430 391 V N 1.266 121.353 119.914 0.289 0.000 2.490 391 V HA -0.208 3.989 4.120 0.128 0.000 0.250 391 V C 2.491 178.640 176.094 0.090 0.000 1.061 391 V CA 1.808 64.203 62.300 0.158 0.000 1.064 391 V CB -0.718 31.160 31.823 0.092 0.000 0.670 391 V HN 0.590 nan 8.190 nan 0.000 0.461 392 A N -0.314 122.580 122.820 0.124 0.000 1.877 392 A HA -0.173 4.224 4.320 0.128 0.000 0.216 392 A C 2.012 179.519 177.584 -0.127 0.000 1.186 392 A CA 1.808 53.822 52.037 -0.038 0.000 0.620 392 A CB -0.699 18.254 19.000 -0.079 0.000 0.822 392 A HN 0.482 nan 8.150 nan 0.000 0.443 393 F N -0.118 119.914 119.950 0.137 0.000 2.259 393 F HA -0.082 4.521 4.527 0.127 0.000 0.298 393 F C 2.095 177.773 175.800 -0.204 0.000 1.088 393 F CA 1.363 59.434 58.000 0.118 0.000 1.358 393 F CB -0.275 38.908 39.000 0.305 0.000 1.040 393 F HN 0.260 nan 8.300 nan 0.000 0.505 394 D N 0.232 120.581 120.400 -0.086 0.000 2.117 394 D HA -0.154 4.562 4.640 0.128 0.000 0.197 394 D C 2.064 178.010 176.300 -0.591 0.000 0.987 394 D CA 1.279 54.834 54.000 -0.743 0.000 0.829 394 D CB -0.014 40.432 40.800 -0.590 0.000 0.961 394 D HN 0.097 nan 8.370 nan 0.000 0.460 395 E N -0.050 119.927 120.200 -0.372 0.000 2.106 395 E HA -0.101 4.326 4.350 0.128 0.000 0.192 395 E C 2.466 178.819 176.600 -0.411 0.000 0.984 395 E CA 0.312 56.478 56.400 -0.390 0.000 0.806 395 E CB -0.215 29.302 29.700 -0.306 0.000 0.750 395 E HN 0.417 nan 8.360 nan 0.000 0.458 396 L N 0.608 121.615 121.223 -0.360 0.000 2.046 396 L HA -0.125 4.292 4.340 0.128 0.000 0.208 396 L C 2.838 179.477 176.870 -0.386 0.000 1.077 396 L CA 1.149 55.803 54.840 -0.309 0.000 0.747 396 L CB -0.393 41.565 42.059 -0.169 0.000 0.896 396 L HN 0.056 nan 8.230 nan 0.000 0.432 397 R N 1.178 121.270 120.500 -0.680 0.000 2.096 397 R HA -0.203 4.214 4.340 0.128 0.000 0.235 397 R C 2.450 178.303 176.300 -0.746 0.000 1.127 397 R CA 1.850 57.244 56.100 -1.176 0.000 0.968 397 R CB -0.055 29.078 30.300 -1.945 0.000 0.861 397 R HN 0.413 nan 8.270 nan 0.000 0.440 398 R N -0.498 119.639 120.500 -0.604 0.000 2.173 398 R HA 0.050 4.466 4.340 0.128 0.000 0.208 398 R C 1.799 177.898 176.300 -0.336 0.000 1.035 398 R CA 0.902 56.733 56.100 -0.450 0.000 1.004 398 R CB -0.117 29.932 30.300 -0.419 0.000 0.917 398 R HN 0.274 nan 8.270 nan 0.000 0.462 399 Q N 0.776 120.368 119.800 -0.348 0.000 2.297 399 Q HA 0.180 4.597 4.340 0.128 0.000 0.203 399 Q C 0.546 176.398 176.000 -0.248 0.000 0.931 399 Q CA 0.895 56.525 55.803 -0.288 0.000 0.885 399 Q CB 0.523 29.058 28.738 -0.338 0.000 0.991 399 Q HN 0.482 nan 8.270 nan 0.000 0.498 400 M N -1.693 117.755 119.600 -0.253 0.000 2.542 400 M HA 0.373 4.929 4.480 0.128 0.000 0.273 400 M C -2.575 173.722 176.300 -0.004 0.000 1.296 400 M CA -1.676 53.531 55.300 -0.155 0.000 0.631 400 M CB 1.578 33.926 32.600 -0.420 0.000 1.747 400 M HN -0.268 nan 8.290 nan 0.000 0.378 401 P HA -0.135 nan 4.420 nan 0.000 0.222 401 P C 0.196 177.789 177.300 0.488 0.000 1.147 401 P CA 1.389 64.602 63.100 0.189 0.000 0.790 401 P CB -0.068 31.669 31.700 0.062 0.000 0.780 402 D N -0.730 119.849 120.400 0.298 0.000 2.427 402 D HA 0.013 4.729 4.640 0.128 0.000 0.224 402 D C 0.401 176.849 176.300 0.246 0.000 1.157 402 D CA -0.783 53.372 54.000 0.257 0.000 0.828 402 D CB -0.853 40.061 40.800 0.189 0.000 0.974 402 D HN -0.082 nan 8.370 nan 0.000 0.498 403 V N 0.366 120.444 119.914 0.273 0.000 2.720 403 V HA 0.193 4.390 4.120 0.128 0.000 0.307 403 V C -0.228 175.985 176.094 0.198 0.000 1.071 403 V CA 0.312 62.770 62.300 0.263 0.000 1.199 403 V CB 0.919 32.848 31.823 0.176 0.000 0.900 403 V HN 0.160 nan 8.190 nan 0.000 0.494 404 V N 6.337 126.356 119.914 0.175 0.000 3.000 404 V HA 0.770 4.967 4.120 0.128 0.000 0.300 404 V C 0.027 176.171 176.094 0.083 0.000 1.251 404 V CA -0.265 62.098 62.300 0.106 0.000 0.972 404 V CB 2.009 33.879 31.823 0.077 0.000 1.065 404 V HN 1.506 nan 8.190 nan 0.000 0.431 405 A N 3.363 126.212 122.820 0.049 0.000 2.462 405 A HA 0.536 4.933 4.320 0.128 0.000 0.243 405 A C 1.107 178.699 177.584 0.013 0.000 1.076 405 A CA 0.631 52.685 52.037 0.029 0.000 0.773 405 A CB 0.541 19.544 19.000 0.004 0.000 1.010 405 A HN 1.609 nan 8.150 nan 0.000 0.493 406 T N -0.760 113.800 114.554 0.010 0.000 2.985 406 T HA 0.320 4.746 4.350 0.128 0.000 0.254 406 T C 0.343 175.037 174.700 -0.009 0.000 1.021 406 T CA 0.393 62.490 62.100 -0.004 0.000 0.957 406 T CB 0.035 68.897 68.868 -0.010 0.000 1.047 406 T HN 0.689 nan 8.240 nan 0.000 0.511 407 E N 0.843 121.038 120.200 -0.008 0.000 2.393 407 E HA 0.377 4.803 4.350 0.128 0.000 0.273 407 E C -0.946 175.646 176.600 -0.014 0.000 0.918 407 E CA -0.990 55.404 56.400 -0.011 0.000 0.773 407 E CB 1.694 31.389 29.700 -0.008 0.000 1.275 407 E HN 0.118 nan 8.360 nan 0.000 0.451 408 E N 2.416 122.608 120.200 -0.015 0.000 2.459 408 E HA 0.044 4.470 4.350 0.128 0.000 0.264 408 E C -2.031 174.557 176.600 -0.019 0.000 1.055 408 E CA -0.978 55.412 56.400 -0.016 0.000 0.957 408 E CB -0.238 29.456 29.700 -0.010 0.000 0.952 408 E HN 0.269 nan 8.360 nan 0.000 0.448 409 P HA 0.128 nan 4.420 nan 0.000 0.274 409 P C -1.044 176.243 177.300 -0.023 0.000 1.237 409 P CA -0.378 62.697 63.100 -0.042 0.000 0.793 409 P CB 0.622 32.268 31.700 -0.090 0.000 0.977 410 A N 3.210 126.019 122.820 -0.017 0.000 2.347 410 A HA 0.314 4.711 4.320 0.128 0.000 0.287 410 A C 0.330 177.912 177.584 -0.004 0.000 1.199 410 A CA -0.408 51.626 52.037 -0.004 0.000 0.851 410 A CB -0.344 18.658 19.000 0.003 0.000 1.118 410 A HN 0.417 nan 8.150 nan 0.000 0.525 411 R N 1.562 122.070 120.500 0.012 0.000 2.349 411 R HA 0.425 4.841 4.340 0.128 0.000 0.299 411 R C -0.373 175.957 176.300 0.049 0.000 1.027 411 R CA -0.727 55.392 56.100 0.030 0.000 0.958 411 R CB 1.033 31.371 30.300 0.064 0.000 1.047 411 R HN 0.663 nan 8.270 nan 0.000 0.468 412 L N 3.385 124.643 121.223 0.058 0.000 2.499 412 L HA 0.087 4.504 4.340 0.128 0.000 0.273 412 L C -0.720 176.211 176.870 0.102 0.000 1.195 412 L CA -0.024 54.856 54.840 0.067 0.000 0.882 412 L CB 0.379 42.475 42.059 0.062 0.000 1.133 412 L HN 0.494 nan 8.230 nan 0.000 0.483 413 L N 5.793 127.068 121.223 0.086 0.000 2.363 413 L HA 0.497 4.913 4.340 0.128 0.000 0.286 413 L C -0.222 176.709 176.870 0.102 0.000 1.106 413 L CA 0.862 55.769 54.840 0.113 0.000 0.859 413 L CB -0.021 42.086 42.059 0.080 0.000 1.223 413 L HN 0.748 nan 8.230 nan 0.000 0.446 414 S N 3.137 118.915 115.700 0.131 0.000 2.542 414 S HA 0.235 4.782 4.470 0.128 0.000 0.276 414 S C 0.008 174.533 174.600 -0.124 0.000 1.148 414 S CA -0.426 57.792 58.200 0.029 0.000 0.886 414 S CB 1.487 64.721 63.200 0.056 0.000 1.109 414 S HN 0.761 nan 8.310 nan 0.000 0.458 415 Q N 2.167 121.733 119.800 -0.389 0.000 2.402 415 Q HA 0.176 4.592 4.340 0.128 0.000 0.206 415 Q C 0.664 176.525 176.000 -0.231 0.000 0.919 415 Q CA 0.568 55.763 55.803 -1.014 0.000 0.923 415 Q CB 0.014 28.207 28.738 -0.909 0.000 1.048 415 Q HN 0.738 nan 8.270 nan 0.000 0.515 416 F N 0.010 119.830 119.950 -0.218 0.000 2.559 416 F HA 0.331 4.939 4.527 0.135 0.000 0.286 416 F C 0.000 175.674 175.800 -0.210 0.000 1.108 416 F CA -0.178 57.641 58.000 -0.302 0.000 1.436 416 F CB 0.889 39.686 39.000 -0.338 0.000 1.130 416 F HN -0.137 nan 8.300 nan 0.000 0.584 417 I N 0.933 121.425 120.570 -0.130 0.000 2.447 417 I HA 0.109 4.356 4.170 0.128 0.000 0.287 417 I C -0.170 175.985 176.117 0.064 0.000 1.023 417 I CA -0.525 60.681 61.300 -0.157 0.000 1.083 417 I CB 0.912 38.838 38.000 -0.123 0.000 1.245 417 I HN 0.082 nan 8.210 nan 0.000 0.434 418 H N 5.468 124.512 119.070 -0.043 0.000 2.998 418 H HA 0.335 4.967 4.556 0.127 0.000 0.241 418 H C 0.466 175.891 175.328 0.160 0.000 1.852 418 H CA -0.315 55.766 56.048 0.055 0.000 1.419 418 H CB 0.260 30.005 29.762 -0.029 0.000 1.793 418 H HN 0.788 nan 8.280 nan 0.000 0.553 419 G N 3.169 112.049 108.800 0.134 0.000 2.400 419 G HA2 0.442 4.478 3.960 0.128 0.000 0.301 419 G HA3 0.442 4.478 3.960 0.128 0.000 0.301 419 G C -0.463 174.437 174.900 0.001 0.000 1.154 419 G CA -0.612 44.522 45.100 0.056 0.000 0.852 419 G HN 0.490 nan 8.290 nan 0.000 0.511 420 I N 1.311 121.848 120.570 -0.055 0.000 2.406 420 I HA 0.246 4.492 4.170 0.128 0.000 0.290 420 I C 0.703 176.801 176.117 -0.032 0.000 0.999 420 I CA -0.654 60.588 61.300 -0.096 0.000 1.124 420 I CB 2.517 40.375 38.000 -0.237 0.000 1.289 420 I HN 0.588 nan 8.210 nan 0.000 0.441 421 K N 2.499 122.891 120.400 -0.013 0.000 2.137 421 K HA 0.062 4.458 4.320 0.128 0.000 0.202 421 K C 0.249 176.861 176.600 0.020 0.000 1.052 421 K CA 0.902 57.197 56.287 0.012 0.000 0.961 421 K CB 0.254 32.763 32.500 0.015 0.000 0.741 421 K HN 0.796 nan 8.250 nan 0.000 0.452 422 T N -1.387 113.169 114.554 0.003 0.000 3.012 422 T HA 0.496 4.923 4.350 0.128 0.000 0.330 422 T C -1.547 173.147 174.700 -0.010 0.000 1.321 422 T CA -0.977 61.128 62.100 0.009 0.000 1.067 422 T CB 1.612 70.490 68.868 0.016 0.000 1.235 422 T HN -0.047 nan 8.240 nan 0.000 0.479 423 L N 3.025 124.246 121.223 -0.003 0.000 2.518 423 L HA 0.584 5.000 4.340 0.128 0.000 0.262 423 L C -2.943 173.938 176.870 0.017 0.000 0.982 423 L CA -1.711 53.124 54.840 -0.008 0.000 0.873 423 L CB 1.704 43.746 42.059 -0.028 0.000 1.198 423 L HN 0.415 nan 8.230 nan 0.000 0.427 424 P HA 0.226 nan 4.420 nan 0.000 0.267 424 P C -0.975 176.353 177.300 0.048 0.000 1.205 424 P CA 0.038 63.158 63.100 0.033 0.000 0.765 424 P CB 0.943 32.652 31.700 0.015 0.000 0.828 425 V N 0.442 120.411 119.914 0.092 0.000 3.001 425 V HA 0.882 5.079 4.120 0.128 0.000 0.314 425 V C -0.349 175.839 176.094 0.156 0.000 1.099 425 V CA -0.567 61.814 62.300 0.135 0.000 0.989 425 V CB 2.089 34.021 31.823 0.182 0.000 1.040 425 V HN 0.492 nan 8.190 nan 0.000 0.434 426 T N 1.773 116.412 114.554 0.141 0.000 2.887 426 T HA 0.876 5.302 4.350 0.128 0.000 0.292 426 T C -1.645 173.194 174.700 0.232 0.000 1.087 426 T CA -0.134 61.972 62.100 0.010 0.000 1.009 426 T CB 1.731 70.525 68.868 -0.124 0.000 1.203 426 T HN 1.364 nan 8.240 nan 0.000 0.518 427 W N 0.815 122.120 121.300 0.009 0.000 3.005 427 W HA 0.747 5.483 4.660 0.128 0.000 0.343 427 W C -0.845 175.680 176.519 0.011 0.000 1.243 427 W CA -0.784 56.571 57.345 0.017 0.000 1.186 427 W CB 0.135 29.604 29.460 0.014 0.000 1.453 427 W HN 0.753 nan 8.180 nan 0.000 0.575 428 S N 0.000 115.818 115.700 0.196 0.000 2.498 428 S HA 0.000 4.547 4.470 0.128 0.000 0.327 428 S CA 0.000 58.264 58.200 0.106 0.000 1.107 428 S CB 0.000 63.232 63.200 0.053 0.000 0.593 428 S HN 0.000 nan 8.310 nan 0.000 0.517