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 3phf_1_5 DATA FIRST_RESID 20 DATA SEQUENCE LSEVKLHLDI EGHASHYTIP WTELMAKVPG LSPEALWREA NVTEDLASML DATA SEQUENCE NRYKLIYKTS GTLGIALAEP VDIPAVSEGS MQVDASKVHP GVISGLNSPA DATA SEQUENCE cMLSAPLEKQ LFYYIGTMLP NTRPHSYVFY QLRCHLSYVA LSINGDKFQY DATA SEQUENCE TGAMTSKFLM GTYKRVTEKG DEHVLSLVFG KTKDLPDLRG PFSYPSLTSA DATA SEQUENCE QSGDYSLVIV TTFVHYANFH NYFVPNLKDM FSRAVTMTAA SYARYVLQKL DATA SEQUENCE VLLEMKGGcR EPELDTETLT TMFEVSVAFF KVGHAVGETG NGcVDLRWLA DATA SEQUENCE KSFFELTVLK DIIGIcYGAT VKGMQSYGLE RLAAMLMATV KMEELGHLTT DATA SEQUENCE EKQEYALRLA TVGYPKAGVY SGLIGGATSV LLSAYNRHPL FQPLHTVMRE DATA SEQUENCE TLFIGSHVVL RELRLNVTTQ GPNLALYQLL STALcSALEI GEVLRGLALG DATA SEQUENCE TESGLFSPcY LSLRFDLTRD KLLSMAPQEA TLDQAAVSNA VDGFLGRLSL DATA SEQUENCE EREDRDAWHL PAYKcVDRLD KVLMIIPLIN VTFIISSDRE VRGSALYEAS DATA SEQUENCE TTYLSSSLFL SPVIMNKcSQ GAVAGEPRQI PKIQNFTRTQ KSCIFCGFAL DATA SEQUENCE LSYDEKEGLE TTTYITSQEV QNSILSSNYF DFDNLHVHYL LLTTNGTVME DATA SEQUENCE IAG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 20 L HA 0.000 nan 4.340 nan 0.000 0.249 20 L C 0.000 176.727 176.870 -0.238 0.000 1.165 20 L CA 0.000 54.824 54.840 -0.027 0.000 0.813 20 L CB 0.000 42.062 42.059 0.005 0.000 0.961 21 S N 2.337 117.687 115.700 -0.582 0.000 3.886 21 S HA -0.027 4.443 4.470 -0.000 0.000 0.398 21 S C -0.318 173.629 174.600 -1.088 0.000 0.931 21 S CA 1.299 58.685 58.200 -1.358 0.000 1.217 21 S CB -1.252 61.554 63.200 -0.657 0.000 0.874 21 S HN 1.043 nan 8.310 nan 0.000 0.521 22 E N -0.408 119.227 120.200 -0.942 0.000 3.386 22 E HA 0.532 4.882 4.350 -0.000 0.000 0.370 22 E C -1.373 175.175 176.600 -0.086 0.000 1.006 22 E CA -0.317 55.813 56.400 -0.451 0.000 0.812 22 E CB 1.071 30.613 29.700 -0.262 0.000 1.301 22 E HN 0.241 nan 8.360 nan 0.000 0.460 23 V N 4.147 124.086 119.914 0.042 0.000 2.888 23 V HA 0.615 4.735 4.120 -0.000 0.000 0.309 23 V C -0.589 175.566 176.094 0.100 0.000 1.114 23 V CA -0.944 61.447 62.300 0.152 0.000 0.940 23 V CB 2.256 34.258 31.823 0.298 0.000 1.021 23 V HN 0.596 nan 8.190 nan 0.000 0.426 24 K N 3.193 123.645 120.400 0.086 0.000 2.259 24 K HA 0.820 5.140 4.320 -0.000 0.000 0.249 24 K C -1.780 174.872 176.600 0.087 0.000 0.942 24 K CA -0.682 55.643 56.287 0.062 0.000 0.816 24 K CB 1.986 34.513 32.500 0.046 0.000 1.155 24 K HN 0.615 nan 8.250 nan 0.000 0.428 25 L N 2.568 123.802 121.223 0.018 0.000 2.341 25 L HA 0.428 4.768 4.340 -0.000 0.000 0.267 25 L C -1.080 175.698 176.870 -0.153 0.000 1.009 25 L CA -1.065 53.815 54.840 0.066 0.000 0.819 25 L CB 1.919 44.043 42.059 0.108 0.000 1.323 25 L HN 0.753 nan 8.230 nan 0.000 0.425 26 H N 1.833 120.876 119.070 -0.045 0.000 2.791 26 H HA 0.421 4.977 4.556 -0.000 0.000 0.272 26 H C -0.217 175.108 175.328 -0.004 0.000 1.188 26 H CA -0.274 55.685 56.048 -0.148 0.000 1.436 26 H CB 1.146 30.779 29.762 -0.216 0.000 1.467 26 H HN 0.348 nan 8.280 nan 0.000 0.500 27 L N 1.041 122.365 121.223 0.168 0.000 2.859 27 L HA 0.376 4.716 4.340 -0.000 0.000 0.181 27 L C -0.269 176.703 176.870 0.170 0.000 1.196 27 L CA -0.153 54.805 54.840 0.197 0.000 1.062 27 L CB 0.700 42.944 42.059 0.308 0.000 1.961 27 L HN 0.642 nan 8.230 nan 0.000 0.507 28 D N -1.759 118.742 120.400 0.167 0.000 2.266 28 D HA 0.115 4.755 4.640 -0.000 0.000 0.174 28 D C -0.198 176.174 176.300 0.119 0.000 1.096 28 D CA -0.450 53.636 54.000 0.144 0.000 0.853 28 D CB 0.343 41.212 40.800 0.116 0.000 3.128 28 D HN 0.217 nan 8.370 nan 0.000 0.484 29 I N 2.072 122.715 120.570 0.121 0.000 2.188 29 I HA 0.276 4.446 4.170 -0.000 0.000 0.237 29 I C 0.590 176.755 176.117 0.079 0.000 1.073 29 I CA 0.683 62.036 61.300 0.088 0.000 1.359 29 I CB -0.081 37.963 38.000 0.073 0.000 1.083 29 I HN 0.500 nan 8.210 nan 0.000 0.412 30 E N -1.152 119.109 120.200 0.102 0.000 2.883 30 E HA 0.414 4.764 4.350 -0.000 0.000 0.355 30 E C 0.048 176.745 176.600 0.162 0.000 0.939 30 E CA 0.521 56.982 56.400 0.100 0.000 0.783 30 E CB 0.510 30.252 29.700 0.071 0.000 1.361 30 E HN 0.365 nan 8.360 nan 0.000 0.413 31 G N 3.080 111.962 108.800 0.137 0.000 2.336 31 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.233 31 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.233 31 G C -0.158 174.763 174.900 0.034 0.000 1.053 31 G CA 0.374 45.546 45.100 0.119 0.000 0.625 31 G HN 0.559 nan 8.290 nan 0.000 0.511 32 H N 0.491 119.586 119.070 0.040 0.000 2.621 32 H HA 0.763 5.319 4.556 -0.000 0.000 0.360 32 H C 0.368 175.739 175.328 0.071 0.000 1.163 32 H CA 0.158 56.234 56.048 0.046 0.000 1.194 32 H CB 1.780 31.562 29.762 0.034 0.000 1.649 32 H HN 0.615 nan 8.280 nan 0.000 0.532 33 A N 2.047 124.980 122.820 0.188 0.000 2.269 33 A HA 0.483 4.803 4.320 -0.000 0.000 0.302 33 A C -0.242 177.500 177.584 0.265 0.000 1.266 33 A CA -0.493 51.675 52.037 0.218 0.000 0.894 33 A CB 0.039 19.193 19.000 0.257 0.000 1.147 33 A HN 0.618 nan 8.150 nan 0.000 0.537 34 S N 1.259 117.091 115.700 0.219 0.000 2.616 34 S HA 0.540 5.010 4.470 -0.000 0.000 0.277 34 S C -0.764 173.886 174.600 0.084 0.000 1.234 34 S CA -0.283 57.986 58.200 0.113 0.000 1.028 34 S CB 0.490 63.764 63.200 0.123 0.000 0.988 34 S HN 0.719 nan 8.310 nan 0.000 0.522 35 H N 1.080 119.892 119.070 -0.431 0.000 2.970 35 H HA 0.440 4.996 4.556 -0.000 0.000 0.315 35 H C -1.516 173.480 175.328 -0.554 0.000 0.992 35 H CA -0.304 55.493 56.048 -0.417 0.000 1.363 35 H CB 0.339 29.922 29.762 -0.299 0.000 1.532 35 H HN 0.490 nan 8.280 nan 0.000 0.514 36 Y N 0.949 121.202 120.300 -0.078 0.000 2.376 36 Y HA 0.431 4.981 4.550 -0.000 0.000 0.340 36 Y C 0.247 176.112 175.900 -0.058 0.000 0.965 36 Y CA -1.028 57.049 58.100 -0.038 0.000 1.078 36 Y CB 1.984 40.434 38.460 -0.017 0.000 1.193 36 Y HN 0.503 nan 8.280 nan 0.000 0.452 37 T N 1.356 115.979 114.554 0.115 0.000 2.791 37 T HA 0.659 5.009 4.350 -0.000 0.000 0.288 37 T C -0.617 174.132 174.700 0.082 0.000 0.999 37 T CA -0.590 61.547 62.100 0.063 0.000 0.952 37 T CB 0.177 69.058 68.868 0.022 0.000 0.938 37 T HN 0.503 nan 8.240 nan 0.000 0.444 38 I N 5.260 125.888 120.570 0.096 0.000 2.310 38 I HA 0.295 4.465 4.170 -0.000 0.000 0.287 38 I C -2.392 173.795 176.117 0.116 0.000 1.073 38 I CA -2.486 58.885 61.300 0.118 0.000 1.216 38 I CB 1.360 39.451 38.000 0.152 0.000 1.415 38 I HN 0.388 nan 8.210 nan 0.000 0.480 39 P HA 0.049 nan 4.420 nan 0.000 0.256 39 P C 0.658 177.918 177.300 -0.068 0.000 1.689 39 P CA -0.435 62.597 63.100 -0.112 0.000 1.124 39 P CB -0.066 31.574 31.700 -0.101 0.000 1.766 40 W N 1.600 122.886 121.300 -0.024 0.000 2.721 40 W HA -0.065 4.595 4.660 -0.000 0.000 0.245 40 W C 0.997 177.505 176.519 -0.018 0.000 1.276 40 W CA 0.733 58.065 57.345 -0.022 0.000 1.342 40 W CB -2.038 27.402 29.460 -0.032 0.000 1.135 40 W HN 0.178 nan 8.180 nan 0.000 0.654 41 T N 1.100 115.468 114.554 -0.310 0.000 2.777 41 T HA -0.261 4.089 4.350 -0.000 0.000 0.266 41 T C 1.758 176.405 174.700 -0.088 0.000 1.040 41 T CA 2.201 64.143 62.100 -0.264 0.000 1.141 41 T CB -0.184 68.453 68.868 -0.385 0.000 0.868 41 T HN 0.308 nan 8.240 nan 0.000 0.444 42 E N -0.275 119.881 120.200 -0.072 0.000 2.158 42 E HA -0.015 4.335 4.350 -0.000 0.000 0.191 42 E C 2.344 178.952 176.600 0.013 0.000 0.982 42 E CA 0.482 56.865 56.400 -0.028 0.000 0.823 42 E CB -0.174 29.508 29.700 -0.030 0.000 0.766 42 E HN 0.535 nan 8.360 nan 0.000 0.468 43 L N 0.402 121.651 121.223 0.043 0.000 2.046 43 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 43 L C 2.739 179.654 176.870 0.074 0.000 1.077 43 L CA 1.101 55.982 54.840 0.069 0.000 0.747 43 L CB -0.315 41.809 42.059 0.107 0.000 0.896 43 L HN 0.282 nan 8.230 nan 0.000 0.432 44 M N -0.883 118.776 119.600 0.098 0.000 2.346 44 M HA -0.200 4.280 4.480 -0.000 0.000 0.263 44 M C 2.336 178.672 176.300 0.059 0.000 1.064 44 M CA 1.614 56.971 55.300 0.094 0.000 1.083 44 M CB -0.474 32.204 32.600 0.130 0.000 1.399 44 M HN 0.341 nan 8.290 nan 0.000 0.435 45 A N 0.350 123.195 122.820 0.041 0.000 1.874 45 A HA -0.085 4.235 4.320 -0.000 0.000 0.214 45 A C 2.066 179.666 177.584 0.028 0.000 1.189 45 A CA 1.209 53.263 52.037 0.028 0.000 0.615 45 A CB -0.287 18.722 19.000 0.014 0.000 0.830 45 A HN 0.363 nan 8.150 nan 0.000 0.443 46 K N -0.711 119.706 120.400 0.028 0.000 2.432 46 K HA 0.159 4.479 4.320 -0.000 0.000 0.196 46 K C -0.600 176.018 176.600 0.030 0.000 1.038 46 K CA 0.208 56.510 56.287 0.025 0.000 0.986 46 K CB 0.180 32.693 32.500 0.022 0.000 0.782 46 K HN 0.321 nan 8.250 nan 0.000 0.485 47 V N 1.605 121.541 119.914 0.037 0.000 2.680 47 V HA 0.146 4.266 4.120 -0.000 0.000 0.309 47 V C -1.673 174.446 176.094 0.041 0.000 1.052 47 V CA -1.421 60.903 62.300 0.039 0.000 0.908 47 V CB 1.773 33.620 31.823 0.042 0.000 1.001 47 V HN -0.015 nan 8.190 nan 0.000 0.431 48 P HA 0.073 nan 4.420 nan 0.000 0.210 48 P C 1.341 178.664 177.300 0.038 0.000 1.173 48 P CA 1.199 64.323 63.100 0.040 0.000 0.898 48 P CB 0.410 32.135 31.700 0.042 0.000 0.758 49 G N 0.242 109.063 108.800 0.036 0.000 2.776 49 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.209 49 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.209 49 G C 0.734 175.652 174.900 0.029 0.000 1.145 49 G CA -0.258 44.861 45.100 0.031 0.000 0.791 49 G HN 0.224 nan 8.290 nan 0.000 0.530 50 L N 2.815 124.057 121.223 0.033 0.000 2.454 50 L HA 0.271 4.611 4.340 -0.000 0.000 0.284 50 L C 0.095 176.985 176.870 0.033 0.000 1.139 50 L CA -0.443 54.414 54.840 0.027 0.000 0.911 50 L CB 0.509 42.590 42.059 0.037 0.000 1.262 50 L HN 0.132 nan 8.230 nan 0.000 0.453 51 S N 4.231 119.941 115.700 0.017 0.000 2.328 51 S HA 0.342 4.812 4.470 -0.000 0.000 0.204 51 S C -1.435 173.152 174.600 -0.022 0.000 1.475 51 S CA -1.196 57.014 58.200 0.017 0.000 1.148 51 S CB 0.829 64.045 63.200 0.027 0.000 1.077 51 S HN 0.490 nan 8.310 nan 0.000 0.479 52 P HA -0.216 nan 4.420 nan 0.000 0.217 52 P C 1.282 178.482 177.300 -0.166 0.000 1.151 52 P CA 1.330 64.315 63.100 -0.192 0.000 0.849 52 P CB 0.231 31.675 31.700 -0.426 0.000 0.787 53 E N -0.033 120.076 120.200 -0.151 0.000 2.097 53 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 53 E C 2.184 178.816 176.600 0.053 0.000 1.000 53 E CA 1.656 58.018 56.400 -0.064 0.000 0.804 53 E CB -0.807 28.879 29.700 -0.023 0.000 0.740 53 E HN 0.256 nan 8.360 nan 0.000 0.454 54 A N 0.836 123.684 122.820 0.046 0.000 1.855 54 A HA -0.105 4.215 4.320 -0.000 0.000 0.215 54 A C 2.456 180.105 177.584 0.108 0.000 1.191 54 A CA 1.093 53.175 52.037 0.075 0.000 0.613 54 A CB -0.798 18.240 19.000 0.063 0.000 0.829 54 A HN 0.209 nan 8.150 nan 0.000 0.442 55 L N -1.422 119.852 121.223 0.086 0.000 2.079 55 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 55 L C 2.633 179.608 176.870 0.175 0.000 1.081 55 L CA 1.591 56.492 54.840 0.102 0.000 0.752 55 L CB -0.532 41.469 42.059 -0.096 0.000 0.896 55 L HN 0.799 nan 8.230 nan 0.000 0.433 56 W N 1.342 122.616 121.300 -0.044 0.000 2.374 56 W HA -0.243 4.417 4.660 -0.000 0.000 0.288 56 W C 2.542 179.071 176.519 0.017 0.000 1.218 56 W CA 1.487 58.809 57.345 -0.039 0.000 1.245 56 W CB -0.006 29.377 29.460 -0.129 0.000 1.126 56 W HN 0.111 nan 8.180 nan 0.000 0.545 57 R N 1.000 121.549 120.500 0.082 0.000 2.100 57 R HA -0.062 4.278 4.340 -0.000 0.000 0.220 57 R C 2.154 178.447 176.300 -0.013 0.000 1.091 57 R CA 1.766 57.867 56.100 0.001 0.000 0.986 57 R CB -0.834 29.514 30.300 0.081 0.000 0.888 57 R HN 0.151 nan 8.270 nan 0.000 0.444 58 E N 0.335 120.577 120.200 0.069 0.000 2.070 58 E HA -0.142 4.208 4.350 -0.000 0.000 0.197 58 E C 0.054 176.655 176.600 0.001 0.000 1.004 58 E CA 1.270 57.719 56.400 0.082 0.000 0.805 58 E CB -0.242 29.589 29.700 0.218 0.000 0.744 58 E HN 0.338 nan 8.360 nan 0.000 0.451 59 A N 2.341 125.165 122.820 0.008 0.000 2.437 59 A HA 0.067 4.387 4.320 -0.000 0.000 0.303 59 A C -0.069 177.386 177.584 -0.215 0.000 1.324 59 A CA -0.357 51.620 52.037 -0.101 0.000 0.983 59 A CB -0.079 18.916 19.000 -0.008 0.000 1.142 59 A HN 0.050 nan 8.150 nan 0.000 0.541 60 N N 2.908 121.511 118.700 -0.162 0.000 2.328 60 N HA -0.040 4.700 4.740 -0.000 0.000 0.290 60 N C 1.425 176.796 175.510 -0.231 0.000 1.355 60 N CA 0.138 53.087 53.050 -0.168 0.000 1.009 60 N CB 0.418 38.840 38.487 -0.107 0.000 1.426 60 N HN 0.447 nan 8.380 nan 0.000 0.488 61 V N 2.331 122.030 119.914 -0.357 0.000 2.237 61 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 61 V C 2.009 177.987 176.094 -0.193 0.000 1.046 61 V CA 1.964 64.021 62.300 -0.404 0.000 1.007 61 V CB -1.025 30.394 31.823 -0.672 0.000 0.638 61 V HN 0.584 nan 8.190 nan 0.000 0.445 62 T N -0.630 113.847 114.554 -0.127 0.000 3.155 62 T HA -0.077 4.273 4.350 -0.000 0.000 0.264 62 T C 0.729 175.391 174.700 -0.064 0.000 1.160 62 T CA 0.291 62.355 62.100 -0.060 0.000 1.075 62 T CB -0.568 68.285 68.868 -0.025 0.000 0.921 62 T HN 0.659 nan 8.240 nan 0.000 0.533 63 E N 3.147 123.293 120.200 -0.091 0.000 2.568 63 E HA -0.045 4.305 4.350 -0.000 0.000 0.262 63 E C -0.124 176.433 176.600 -0.072 0.000 0.961 63 E CA -0.243 56.106 56.400 -0.084 0.000 0.945 63 E CB 0.408 30.044 29.700 -0.106 0.000 0.924 63 E HN 0.436 nan 8.360 nan 0.000 0.467 64 D N 4.040 124.402 120.400 -0.062 0.000 2.283 64 D HA 0.007 4.647 4.640 -0.000 0.000 0.248 64 D C 1.254 177.514 176.300 -0.066 0.000 1.072 64 D CA -0.375 53.592 54.000 -0.055 0.000 0.929 64 D CB 1.101 41.876 40.800 -0.043 0.000 1.182 64 D HN 0.482 nan 8.370 nan 0.000 0.433 65 L N 0.988 122.174 121.223 -0.063 0.000 2.079 65 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 65 L C 2.536 179.365 176.870 -0.069 0.000 1.081 65 L CA 1.890 56.687 54.840 -0.071 0.000 0.752 65 L CB -0.417 41.605 42.059 -0.062 0.000 0.896 65 L HN 0.614 nan 8.230 nan 0.000 0.433 66 A N -1.702 121.084 122.820 -0.055 0.000 1.970 66 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 66 A C 2.461 180.015 177.584 -0.051 0.000 1.170 66 A CA 1.658 53.666 52.037 -0.049 0.000 0.645 66 A CB -0.347 18.630 19.000 -0.038 0.000 0.816 66 A HN 0.327 nan 8.150 nan 0.000 0.447 67 S N -1.424 114.242 115.700 -0.057 0.000 2.501 67 S HA 0.046 4.516 4.470 -0.000 0.000 0.220 67 S C 1.863 176.412 174.600 -0.085 0.000 0.997 67 S CA 0.870 59.033 58.200 -0.062 0.000 0.919 67 S CB -0.410 62.757 63.200 -0.055 0.000 0.778 67 S HN 0.588 nan 8.310 nan 0.000 0.523 68 M N 0.794 120.337 119.600 -0.096 0.000 2.193 68 M HA 0.060 4.540 4.480 -0.000 0.000 0.265 68 M C 1.549 177.779 176.300 -0.117 0.000 1.071 68 M CA 1.244 56.469 55.300 -0.125 0.000 1.140 68 M CB -0.302 32.214 32.600 -0.140 0.000 1.369 68 M HN 0.333 nan 8.290 nan 0.000 0.423 69 L N 0.938 122.109 121.223 -0.087 0.000 2.137 69 L HA -0.297 4.043 4.340 -0.000 0.000 0.213 69 L C 1.792 178.674 176.870 0.019 0.000 1.085 69 L CA 1.223 56.043 54.840 -0.034 0.000 0.760 69 L CB -1.408 40.635 42.059 -0.027 0.000 0.893 69 L HN 0.457 nan 8.230 nan 0.000 0.434 70 N N 0.239 118.921 118.700 -0.030 0.000 2.512 70 N HA -0.140 4.600 4.740 -0.000 0.000 0.183 70 N C 1.807 177.277 175.510 -0.067 0.000 1.073 70 N CA 0.698 53.730 53.050 -0.031 0.000 0.911 70 N CB -0.156 38.303 38.487 -0.046 0.000 0.964 70 N HN 0.415 nan 8.380 nan 0.000 0.447 71 R N -0.244 120.187 120.500 -0.116 0.000 2.297 71 R HA -0.032 4.308 4.340 -0.000 0.000 0.197 71 R C 1.531 177.831 176.300 -0.000 0.000 0.943 71 R CA 0.293 56.275 56.100 -0.196 0.000 1.038 71 R CB 0.093 30.210 30.300 -0.305 0.000 0.957 71 R HN 0.285 nan 8.270 nan 0.000 0.484 72 Y N 0.542 120.756 120.300 -0.144 0.000 2.539 72 Y HA 0.148 4.698 4.550 -0.000 0.000 0.284 72 Y C 1.015 176.941 175.900 0.043 0.000 1.134 72 Y CA 0.340 58.348 58.100 -0.154 0.000 1.251 72 Y CB 0.294 38.515 38.460 -0.398 0.000 1.260 72 Y HN -0.122 nan 8.280 nan 0.000 0.528 73 K N 0.927 121.207 120.400 -0.200 0.000 2.665 73 K HA 0.096 4.416 4.320 -0.000 0.000 0.214 73 K C 0.894 177.547 176.600 0.087 0.000 1.032 73 K CA 0.456 56.644 56.287 -0.165 0.000 1.198 73 K CB 0.001 32.502 32.500 0.002 0.000 0.941 73 K HN 0.495 nan 8.250 nan 0.000 0.491 74 L N 0.351 121.605 121.223 0.051 0.000 2.349 74 L HA 0.246 4.586 4.340 -0.000 0.000 0.200 74 L C 0.261 177.144 176.870 0.021 0.000 1.064 74 L CA -0.106 54.810 54.840 0.128 0.000 0.821 74 L CB 0.386 42.496 42.059 0.085 0.000 1.027 74 L HN 0.163 nan 8.230 nan 0.000 0.476 75 I N -0.208 120.297 120.570 -0.109 0.000 2.696 75 I HA -0.096 4.074 4.170 -0.000 0.000 0.284 75 I C -0.139 175.510 176.117 -0.779 0.000 1.129 75 I CA 0.125 61.254 61.300 -0.285 0.000 1.410 75 I CB 0.039 37.931 38.000 -0.180 0.000 1.399 75 I HN -0.015 nan 8.210 nan 0.000 0.579 76 Y N 5.608 125.362 120.300 -0.909 0.000 2.537 76 Y HA 0.259 4.809 4.550 -0.000 0.000 0.339 76 Y C -0.055 175.480 175.900 -0.609 0.000 1.066 76 Y CA -0.625 56.782 58.100 -1.155 0.000 1.357 76 Y CB -0.012 37.982 38.460 -0.776 0.000 1.175 76 Y HN 0.400 nan 8.280 nan 0.000 0.525 77 K N 3.647 123.507 120.400 -0.900 0.000 2.234 77 K HA 0.150 4.470 4.320 -0.000 0.000 0.282 77 K C 0.003 176.062 176.600 -0.902 0.000 1.039 77 K CA -0.344 55.570 56.287 -0.622 0.000 0.928 77 K CB 1.091 33.447 32.500 -0.239 0.000 1.039 77 K HN 0.653 nan 8.250 nan 0.000 0.470 78 T N 2.101 116.287 114.554 -0.613 0.000 2.825 78 T HA 0.005 4.355 4.350 -0.000 0.000 0.270 78 T C 0.072 174.623 174.700 -0.249 0.000 0.919 78 T CA -0.488 61.341 62.100 -0.452 0.000 1.159 78 T CB -0.549 68.188 68.868 -0.219 0.000 0.889 78 T HN 0.534 nan 8.240 nan 0.000 0.565 79 S N 3.607 119.179 115.700 -0.214 0.000 3.593 79 S HA 0.429 4.899 4.470 -0.000 0.000 0.224 79 S C 0.879 175.461 174.600 -0.029 0.000 1.333 79 S CA -0.285 57.870 58.200 -0.076 0.000 1.164 79 S CB -0.682 62.510 63.200 -0.013 0.000 1.281 79 S HN 1.318 nan 8.310 nan 0.000 0.457 80 G N 0.880 109.657 108.800 -0.039 0.000 2.344 80 G HA2 0.054 4.014 3.960 -0.000 0.000 0.252 80 G HA3 0.054 4.014 3.960 -0.000 0.000 0.252 80 G C -0.512 174.377 174.900 -0.018 0.000 1.415 80 G CA -1.087 44.004 45.100 -0.014 0.000 1.224 80 G HN 0.314 nan 8.290 nan 0.000 0.616 81 T N 2.856 117.395 114.554 -0.025 0.000 2.723 81 T HA 0.507 4.857 4.350 -0.000 0.000 0.297 81 T C 0.680 175.368 174.700 -0.019 0.000 0.925 81 T CA -0.077 62.004 62.100 -0.031 0.000 1.030 81 T CB 0.645 69.494 68.868 -0.032 0.000 0.905 81 T HN 0.941 nan 8.240 nan 0.000 0.502 82 L N 1.601 122.812 121.223 -0.021 0.000 2.309 82 L HA 0.898 5.238 4.340 -0.000 0.000 0.282 82 L C 0.433 177.302 176.870 -0.002 0.000 1.036 82 L CA -0.809 54.030 54.840 -0.002 0.000 0.806 82 L CB 0.764 42.831 42.059 0.013 0.000 1.220 82 L HN 0.513 nan 8.230 nan 0.000 0.429 83 G N 3.522 112.337 108.800 0.026 0.000 2.356 83 G HA2 0.748 4.708 3.960 -0.000 0.000 0.322 83 G HA3 0.748 4.708 3.960 -0.000 0.000 0.322 83 G C -0.752 174.200 174.900 0.087 0.000 1.125 83 G CA -0.610 44.523 45.100 0.054 0.000 0.885 83 G HN 0.628 nan 8.290 nan 0.000 0.467 84 I N 1.160 121.816 120.570 0.142 0.000 2.608 84 I HA 0.457 4.627 4.170 -0.000 0.000 0.295 84 I C 0.571 176.779 176.117 0.153 0.000 1.049 84 I CA -1.104 60.284 61.300 0.147 0.000 1.063 84 I CB 2.371 40.481 38.000 0.183 0.000 1.248 84 I HN 0.553 nan 8.210 nan 0.000 0.424 85 A N 7.715 130.600 122.820 0.109 0.000 2.476 85 A HA 0.590 4.910 4.320 -0.000 0.000 0.275 85 A C -0.498 177.143 177.584 0.094 0.000 1.133 85 A CA 0.386 52.479 52.037 0.094 0.000 0.797 85 A CB -0.350 18.690 19.000 0.067 0.000 1.081 85 A HN 0.637 nan 8.150 nan 0.000 0.510 86 L N 1.818 123.105 121.223 0.107 0.000 2.409 86 L HA 0.797 5.137 4.340 -0.000 0.000 0.262 86 L C 0.300 177.223 176.870 0.088 0.000 0.992 86 L CA -0.564 54.325 54.840 0.082 0.000 0.817 86 L CB 2.206 44.308 42.059 0.072 0.000 1.350 86 L HN 0.762 nan 8.230 nan 0.000 0.411 87 A N 1.359 124.215 122.820 0.061 0.000 2.470 87 A HA 0.803 5.123 4.320 -0.000 0.000 0.271 87 A C -1.407 176.216 177.584 0.064 0.000 1.269 87 A CA -0.465 51.613 52.037 0.069 0.000 0.828 87 A CB 2.067 21.095 19.000 0.047 0.000 1.374 87 A HN 0.709 nan 8.150 nan 0.000 0.454 88 E N 0.507 120.747 120.200 0.066 0.000 2.241 88 E HA 0.559 4.909 4.350 -0.000 0.000 0.263 88 E C -2.626 173.994 176.600 0.033 0.000 0.882 88 E CA -1.546 54.890 56.400 0.060 0.000 0.769 88 E CB 1.398 31.165 29.700 0.112 0.000 1.185 88 E HN 0.478 nan 8.360 nan 0.000 0.415 89 P HA 0.113 nan 4.420 nan 0.000 0.274 89 P C -0.711 176.587 177.300 -0.002 0.000 1.246 89 P CA -0.635 62.477 63.100 0.019 0.000 0.795 89 P CB 0.694 32.416 31.700 0.036 0.000 1.006 90 V N 0.441 120.343 119.914 -0.020 0.000 3.185 90 V HA 0.031 4.151 4.120 -0.000 0.000 0.305 90 V C 0.196 176.207 176.094 -0.139 0.000 1.090 90 V CA 0.853 63.108 62.300 -0.075 0.000 1.107 90 V CB 1.073 32.854 31.823 -0.069 0.000 1.061 90 V HN 0.643 nan 8.190 nan 0.000 0.480 91 D N 1.530 121.738 120.400 -0.319 0.000 2.829 91 D HA 0.268 4.908 4.640 -0.000 0.000 0.250 91 D C -0.737 174.949 176.300 -1.024 0.000 1.304 91 D CA -0.091 53.438 54.000 -0.785 0.000 1.197 91 D CB 0.170 40.484 40.800 -0.811 0.000 1.501 91 D HN 0.430 nan 8.370 nan 0.000 0.424 92 I N 3.600 123.753 120.570 -0.695 0.000 2.297 92 I HA 0.309 4.479 4.170 -0.000 0.000 0.291 92 I C -1.962 174.002 176.117 -0.255 0.000 1.033 92 I CA -1.596 59.398 61.300 -0.510 0.000 1.253 92 I CB 0.542 38.306 38.000 -0.393 0.000 1.396 92 I HN -0.014 nan 8.210 nan 0.000 0.476 93 P HA 0.485 nan 4.420 nan 0.000 0.282 93 P C -0.614 176.646 177.300 -0.067 0.000 1.287 93 P CA -0.627 62.420 63.100 -0.087 0.000 0.792 93 P CB 0.806 32.481 31.700 -0.041 0.000 1.163 94 A N 0.111 122.903 122.820 -0.046 0.000 2.332 94 A HA 0.317 4.637 4.320 -0.000 0.000 0.258 94 A C 0.381 177.950 177.584 -0.024 0.000 1.087 94 A CA -0.543 51.472 52.037 -0.037 0.000 0.802 94 A CB 0.051 19.033 19.000 -0.030 0.000 1.042 94 A HN 0.409 nan 8.150 nan 0.000 0.489 95 V N 0.982 120.884 119.914 -0.020 0.000 3.319 95 V HA 0.331 4.451 4.120 -0.000 0.000 0.303 95 V C 0.771 176.859 176.094 -0.010 0.000 1.094 95 V CA 0.047 62.340 62.300 -0.011 0.000 1.106 95 V CB 1.494 33.312 31.823 -0.008 0.000 1.099 95 V HN 0.968 nan 8.190 nan 0.000 0.476 96 S N 2.764 118.460 115.700 -0.007 0.000 2.617 96 S HA 0.256 4.726 4.470 -0.000 0.000 0.283 96 S C 0.852 175.448 174.600 -0.007 0.000 1.189 96 S CA -0.368 57.826 58.200 -0.009 0.000 1.036 96 S CB 1.502 64.696 63.200 -0.011 0.000 1.014 96 S HN 0.884 nan 8.310 nan 0.000 0.522 97 E N 2.475 122.671 120.200 -0.008 0.000 2.035 97 E HA -0.195 4.155 4.350 -0.000 0.000 0.204 97 E C 1.258 177.856 176.600 -0.004 0.000 1.025 97 E CA 1.625 58.021 56.400 -0.006 0.000 0.835 97 E CB -0.496 29.200 29.700 -0.007 0.000 0.764 97 E HN 0.812 nan 8.360 nan 0.000 0.457 98 G N 0.976 109.774 108.800 -0.003 0.000 3.949 98 G HA2 0.207 4.167 3.960 -0.000 0.000 0.295 98 G HA3 0.207 4.167 3.960 -0.000 0.000 0.295 98 G C 0.668 175.569 174.900 0.002 0.000 1.286 98 G CA 0.429 45.528 45.100 -0.001 0.000 1.171 98 G HN 0.330 nan 8.290 nan 0.000 0.586 99 S N 0.005 115.707 115.700 0.004 0.000 2.078 99 S HA 0.649 5.119 4.470 -0.000 0.000 0.194 99 S C 0.247 174.856 174.600 0.014 0.000 1.346 99 S CA 0.066 58.272 58.200 0.009 0.000 1.309 99 S CB 0.461 63.667 63.200 0.009 0.000 0.721 99 S HN 0.383 nan 8.310 nan 0.000 0.396 100 M N 0.838 120.449 119.600 0.019 0.000 2.691 100 M HA 0.232 4.712 4.480 -0.000 0.000 0.127 100 M C -2.185 174.131 176.300 0.026 0.000 0.898 100 M CA 0.075 55.390 55.300 0.025 0.000 0.685 100 M CB 0.821 33.441 32.600 0.033 0.000 3.028 100 M HN 0.624 nan 8.290 nan 0.000 0.320 101 Q N 3.010 122.822 119.800 0.020 0.000 2.381 101 Q HA 0.464 4.804 4.340 -0.000 0.000 0.243 101 Q C 0.186 176.195 176.000 0.015 0.000 1.154 101 Q CA -0.474 55.338 55.803 0.014 0.000 0.899 101 Q CB 0.032 28.775 28.738 0.007 0.000 1.396 101 Q HN 0.594 nan 8.270 nan 0.000 0.485 102 V N -0.951 118.969 119.914 0.009 0.000 2.775 102 V HA 0.251 4.371 4.120 -0.000 0.000 0.299 102 V C 0.218 176.291 176.094 -0.034 0.000 1.062 102 V CA -0.798 61.498 62.300 -0.007 0.000 1.063 102 V CB 1.410 33.222 31.823 -0.019 0.000 0.994 102 V HN 0.611 nan 8.190 nan 0.000 0.483 103 D N 1.968 122.335 120.400 -0.054 0.000 2.168 103 D HA 0.520 5.160 4.640 -0.000 0.000 0.246 103 D C 0.926 177.157 176.300 -0.114 0.000 1.050 103 D CA 0.153 54.112 54.000 -0.069 0.000 0.857 103 D CB 2.351 43.119 40.800 -0.054 0.000 1.169 103 D HN 0.698 nan 8.370 nan 0.000 0.453 104 A N 3.094 125.834 122.820 -0.133 0.000 1.849 104 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 104 A C 2.135 179.572 177.584 -0.245 0.000 1.202 104 A CA 1.965 53.872 52.037 -0.217 0.000 0.629 104 A CB -0.700 18.160 19.000 -0.234 0.000 0.834 104 A HN 0.622 nan 8.150 nan 0.000 0.447 105 S N -0.238 115.363 115.700 -0.165 0.000 2.442 105 S HA -0.025 4.445 4.470 -0.000 0.000 0.236 105 S C 0.642 175.201 174.600 -0.067 0.000 1.007 105 S CA 0.744 58.897 58.200 -0.079 0.000 0.965 105 S CB -0.075 63.114 63.200 -0.018 0.000 0.773 105 S HN 0.383 nan 8.310 nan 0.000 0.504 106 K N 2.580 122.909 120.400 -0.119 0.000 2.250 106 K HA 0.383 4.703 4.320 -0.000 0.000 0.280 106 K C -0.991 175.425 176.600 -0.307 0.000 1.098 106 K CA -0.058 56.114 56.287 -0.191 0.000 0.916 106 K CB 1.029 33.427 32.500 -0.171 0.000 1.209 106 K HN -0.018 nan 8.250 nan 0.000 0.461 107 V N 3.983 123.722 119.914 -0.291 0.000 2.487 107 V HA 0.256 4.376 4.120 -0.000 0.000 0.298 107 V C -0.172 175.756 176.094 -0.278 0.000 1.028 107 V CA -1.053 61.091 62.300 -0.259 0.000 0.860 107 V CB 1.544 33.316 31.823 -0.086 0.000 0.991 107 V HN 0.599 nan 8.190 nan 0.000 0.427 108 H N 6.284 125.356 119.070 0.004 0.000 2.502 108 H HA 0.295 4.851 4.556 -0.000 0.000 0.327 108 H C -1.630 173.700 175.328 0.003 0.000 1.099 108 H CA -2.117 53.933 56.048 0.004 0.000 1.323 108 H CB 1.879 31.642 29.762 0.001 0.000 1.450 108 H HN 0.419 nan 8.280 nan 0.000 0.502 109 P HA -0.076 nan 4.420 nan 0.000 0.234 109 P C 0.693 178.026 177.300 0.056 0.000 1.162 109 P CA 0.523 63.662 63.100 0.064 0.000 0.759 109 P CB 0.408 32.138 31.700 0.049 0.000 0.813 110 G N -0.634 108.213 108.800 0.078 0.000 3.209 110 G HA2 0.455 4.415 3.960 -0.000 0.000 0.236 110 G HA3 0.455 4.415 3.960 -0.000 0.000 0.236 110 G C -1.068 173.866 174.900 0.056 0.000 1.329 110 G CA -0.433 44.696 45.100 0.049 0.000 1.015 110 G HN -0.120 nan 8.290 nan 0.000 0.571 111 V N 1.526 121.461 119.914 0.036 0.000 2.530 111 V HA 0.191 4.311 4.120 -0.000 0.000 0.282 111 V C 0.884 177.005 176.094 0.044 0.000 1.048 111 V CA -0.325 61.997 62.300 0.037 0.000 0.997 111 V CB 1.273 33.109 31.823 0.023 0.000 0.987 111 V HN 0.539 nan 8.190 nan 0.000 0.477 112 I N 1.453 122.060 120.570 0.062 0.000 3.445 112 I HA 0.223 4.393 4.170 -0.000 0.000 0.288 112 I C 0.800 176.946 176.117 0.048 0.000 1.198 112 I CA 0.599 61.945 61.300 0.076 0.000 1.417 112 I CB -0.254 37.821 38.000 0.125 0.000 1.205 112 I HN 0.527 nan 8.210 nan 0.000 0.448 113 S N 0.376 116.102 115.700 0.044 0.000 2.599 113 S HA 0.749 5.219 4.470 -0.000 0.000 0.294 113 S C 0.190 174.812 174.600 0.037 0.000 1.094 113 S CA -0.528 57.696 58.200 0.039 0.000 0.931 113 S CB 2.553 65.781 63.200 0.047 0.000 1.093 113 S HN 0.355 nan 8.310 nan 0.000 0.488 114 G N 0.005 108.825 108.800 0.035 0.000 2.588 114 G HA2 0.461 4.421 3.960 -0.000 0.000 0.281 114 G HA3 0.461 4.421 3.960 -0.000 0.000 0.281 114 G C 0.644 175.574 174.900 0.050 0.000 1.236 114 G CA -0.480 44.641 45.100 0.034 0.000 0.969 114 G HN 0.565 nan 8.290 nan 0.000 0.504 115 L N 0.290 121.544 121.223 0.051 0.000 1.960 115 L HA -0.012 4.328 4.340 -0.000 0.000 0.209 115 L C 2.692 179.614 176.870 0.087 0.000 1.090 115 L CA 2.183 57.068 54.840 0.075 0.000 0.759 115 L CB -0.647 41.451 42.059 0.064 0.000 0.892 115 L HN 0.687 nan 8.230 nan 0.000 0.436 116 N N -0.033 118.700 118.700 0.054 0.000 2.443 116 N HA -0.117 4.623 4.740 -0.000 0.000 0.184 116 N C 0.448 175.956 175.510 -0.003 0.000 1.037 116 N CA 0.847 53.911 53.050 0.024 0.000 0.896 116 N CB -0.993 37.502 38.487 0.013 0.000 0.959 116 N HN 0.548 nan 8.380 nan 0.000 0.442 117 S N 1.239 116.946 115.700 0.013 0.000 2.488 117 S HA 0.356 4.826 4.470 -0.000 0.000 0.278 117 S C -2.475 172.127 174.600 0.003 0.000 1.259 117 S CA -1.306 56.896 58.200 0.003 0.000 1.061 117 S CB 0.771 63.978 63.200 0.012 0.000 0.910 117 S HN 0.064 nan 8.310 nan 0.000 0.491 118 P HA 0.486 nan 4.420 nan 0.000 0.270 118 P C -0.490 176.818 177.300 0.013 0.000 1.227 118 P CA -0.170 62.916 63.100 -0.024 0.000 0.788 118 P CB 0.470 32.147 31.700 -0.040 0.000 0.926 119 A N 0.195 123.034 122.820 0.032 0.000 2.581 119 A HA 0.746 5.066 4.320 -0.000 0.000 0.290 119 A C -1.108 176.506 177.584 0.049 0.000 1.119 119 A CA -0.246 51.816 52.037 0.041 0.000 0.670 119 A CB 0.742 19.773 19.000 0.053 0.000 1.280 119 A HN 0.765 nan 8.150 nan 0.000 0.425 120 c N -1.048 117.575 118.600 0.038 0.000 3.288 120 c HA 0.899 5.469 4.570 -0.000 0.000 0.318 120 c C -0.730 173.374 174.090 0.023 0.000 1.356 120 c CA -0.782 55.571 56.329 0.040 0.000 1.359 120 c CB 0.610 43.136 42.510 0.027 0.000 1.688 120 c HN 0.979 nan 8.230 nan 0.000 0.467 121 M N 1.904 121.516 119.600 0.020 0.000 2.528 121 M HA 0.512 4.992 4.480 -0.000 0.000 0.321 121 M C -0.690 175.607 176.300 -0.005 0.000 1.153 121 M CA -0.562 54.736 55.300 -0.004 0.000 0.951 121 M CB 1.807 34.392 32.600 -0.024 0.000 1.705 121 M HN 0.654 nan 8.290 nan 0.000 0.451 122 L N 1.555 122.768 121.223 -0.017 0.000 2.410 122 L HA 0.125 4.465 4.340 -0.000 0.000 0.273 122 L C 1.147 178.008 176.870 -0.015 0.000 1.152 122 L CA -0.142 54.688 54.840 -0.017 0.000 0.855 122 L CB 0.894 42.940 42.059 -0.021 0.000 1.129 122 L HN 0.865 nan 8.230 nan 0.000 0.463 123 S N 2.203 117.897 115.700 -0.010 0.000 2.355 123 S HA -0.180 4.290 4.470 -0.000 0.000 0.222 123 S C 2.083 176.678 174.600 -0.007 0.000 1.031 123 S CA 1.125 59.324 58.200 -0.002 0.000 0.993 123 S CB -0.168 63.025 63.200 -0.013 0.000 0.859 123 S HN 0.833 nan 8.310 nan 0.000 0.453 124 A N 2.846 125.655 122.820 -0.018 0.000 1.896 124 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 124 A C 0.486 178.057 177.584 -0.022 0.000 1.206 124 A CA 2.088 54.112 52.037 -0.022 0.000 0.647 124 A CB -1.827 17.160 19.000 -0.022 0.000 0.828 124 A HN 0.536 nan 8.150 nan 0.000 0.455 125 P HA -0.034 nan 4.420 nan 0.000 0.217 125 P C 1.752 179.026 177.300 -0.044 0.000 1.154 125 P CA 0.957 64.033 63.100 -0.041 0.000 0.841 125 P CB -0.171 31.494 31.700 -0.057 0.000 0.790 126 L N 0.908 122.109 121.223 -0.037 0.000 2.013 126 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 126 L C 2.582 179.489 176.870 0.061 0.000 1.073 126 L CA 2.185 57.012 54.840 -0.022 0.000 0.753 126 L CB -1.438 40.621 42.059 -0.001 0.000 0.890 126 L HN -0.126 nan 8.230 nan 0.000 0.432 127 E N -0.101 120.150 120.200 0.085 0.000 2.047 127 E HA -0.278 4.072 4.350 -0.000 0.000 0.191 127 E C 2.296 179.000 176.600 0.172 0.000 0.987 127 E CA 1.680 58.178 56.400 0.164 0.000 0.799 127 E CB -0.286 29.448 29.700 0.057 0.000 0.752 127 E HN 0.452 nan 8.360 nan 0.000 0.449 128 K N -0.151 120.279 120.400 0.050 0.000 2.281 128 K HA -0.221 4.099 4.320 -0.000 0.000 0.203 128 K C 2.171 178.812 176.600 0.068 0.000 1.046 128 K CA 1.474 57.764 56.287 0.006 0.000 0.938 128 K CB -0.020 32.457 32.500 -0.039 0.000 0.737 128 K HN 0.181 nan 8.250 nan 0.000 0.458 129 Q N 0.080 119.915 119.800 0.058 0.000 2.123 129 Q HA -0.004 4.336 4.340 -0.000 0.000 0.196 129 Q C 2.039 178.089 176.000 0.084 0.000 0.958 129 Q CA 0.623 56.443 55.803 0.028 0.000 0.841 129 Q CB 0.152 28.815 28.738 -0.125 0.000 0.915 129 Q HN 0.293 nan 8.270 nan 0.000 0.455 130 L N -0.415 120.894 121.223 0.143 0.000 1.976 130 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 130 L C 0.723 177.615 176.870 0.036 0.000 1.071 130 L CA 0.905 55.823 54.840 0.130 0.000 0.746 130 L CB -0.240 41.967 42.059 0.246 0.000 0.890 130 L HN 0.185 nan 8.230 nan 0.000 0.432 131 F N -0.635 119.378 119.950 0.105 0.000 2.733 131 F HA 0.030 4.557 4.527 -0.000 0.000 0.344 131 F C 1.301 177.154 175.800 0.088 0.000 1.179 131 F CA -0.425 57.644 58.000 0.115 0.000 1.316 131 F CB -0.886 38.177 39.000 0.105 0.000 1.577 131 F HN 0.023 nan 8.300 nan 0.000 0.591 132 Y N 0.212 120.515 120.300 0.005 0.000 2.263 132 Y HA -0.029 4.521 4.550 -0.000 0.000 0.292 132 Y C 0.447 176.336 175.900 -0.018 0.000 1.130 132 Y CA 0.479 58.520 58.100 -0.100 0.000 1.179 132 Y CB -0.485 37.781 38.460 -0.325 0.000 0.998 132 Y HN 0.132 nan 8.280 nan 0.000 0.532 133 Y N 1.312 121.595 120.300 -0.028 0.000 2.336 133 Y HA 0.317 4.867 4.550 -0.000 0.000 0.331 133 Y C 0.097 175.967 175.900 -0.051 0.000 1.211 133 Y CA -0.489 57.522 58.100 -0.149 0.000 1.346 133 Y CB 0.498 38.899 38.460 -0.098 0.000 1.271 133 Y HN -0.193 nan 8.280 nan 0.000 0.538 134 I N 1.187 121.776 120.570 0.033 0.000 2.648 134 I HA 0.733 4.903 4.170 -0.000 0.000 0.304 134 I C 0.527 176.639 176.117 -0.008 0.000 1.009 134 I CA -0.329 60.920 61.300 -0.084 0.000 1.114 134 I CB 2.019 39.884 38.000 -0.225 0.000 1.293 134 I HN 0.815 nan 8.210 nan 0.000 0.449 135 G N 2.268 111.063 108.800 -0.009 0.000 2.726 135 G HA2 0.500 4.460 3.960 -0.000 0.000 0.198 135 G HA3 0.500 4.460 3.960 -0.000 0.000 0.198 135 G C -1.388 173.528 174.900 0.028 0.000 1.195 135 G CA -0.266 44.852 45.100 0.030 0.000 0.951 135 G HN 0.416 nan 8.290 nan 0.000 0.532 136 T N 1.802 116.383 114.554 0.044 0.000 3.089 136 T HA 0.271 4.621 4.350 -0.000 0.000 0.340 136 T C 1.035 175.764 174.700 0.048 0.000 1.008 136 T CA -0.568 61.559 62.100 0.045 0.000 1.096 136 T CB 1.327 70.220 68.868 0.041 0.000 1.024 136 T HN 0.262 nan 8.240 nan 0.000 0.477 137 M N 1.676 121.304 119.600 0.047 0.000 2.202 137 M HA 0.100 4.580 4.480 -0.000 0.000 0.262 137 M C 0.490 176.820 176.300 0.049 0.000 1.063 137 M CA 1.327 56.645 55.300 0.029 0.000 1.097 137 M CB -0.736 31.903 32.600 0.065 0.000 1.382 137 M HN 0.502 nan 8.290 nan 0.000 0.413 138 L N 1.379 122.648 121.223 0.076 0.000 2.324 138 L HA 0.338 4.678 4.340 -0.000 0.000 0.274 138 L C -1.976 174.983 176.870 0.149 0.000 1.012 138 L CA -1.840 53.072 54.840 0.119 0.000 0.859 138 L CB 0.997 43.125 42.059 0.115 0.000 1.224 138 L HN -0.045 nan 8.230 nan 0.000 0.429 139 P HA 0.022 nan 4.420 nan 0.000 0.288 139 P C -0.366 176.971 177.300 0.061 0.000 1.291 139 P CA -0.246 62.904 63.100 0.083 0.000 0.766 139 P CB 1.040 32.759 31.700 0.030 0.000 1.242 140 N N -1.569 117.130 118.700 -0.003 0.000 2.273 140 N HA 0.053 4.793 4.740 -0.000 0.000 0.231 140 N C -0.242 175.218 175.510 -0.083 0.000 1.134 140 N CA -0.119 52.918 53.050 -0.023 0.000 0.856 140 N CB -0.541 37.935 38.487 -0.018 0.000 1.068 140 N HN 0.398 nan 8.380 nan 0.000 0.510 141 T N -2.380 112.096 114.554 -0.129 0.000 2.918 141 T HA 0.174 4.524 4.350 -0.000 0.000 0.302 141 T C 1.524 176.076 174.700 -0.247 0.000 1.045 141 T CA -0.375 61.603 62.100 -0.202 0.000 1.114 141 T CB 1.172 69.853 68.868 -0.311 0.000 0.965 141 T HN 0.120 nan 8.240 nan 0.000 0.540 142 R N 2.144 122.485 120.500 -0.264 0.000 2.115 142 R HA -0.097 4.243 4.340 -0.000 0.000 0.239 142 R C -0.397 175.537 176.300 -0.609 0.000 1.133 142 R CA 2.087 57.916 56.100 -0.452 0.000 0.935 142 R CB -1.847 28.289 30.300 -0.273 0.000 0.853 142 R HN 0.671 nan 8.270 nan 0.000 0.433 143 P HA -0.207 nan 4.420 nan 0.000 0.213 143 P C 0.829 178.127 177.300 -0.003 0.000 1.170 143 P CA 1.787 64.846 63.100 -0.069 0.000 0.902 143 P CB -0.393 31.328 31.700 0.036 0.000 0.789 144 H N -0.363 118.650 119.070 -0.095 0.000 2.353 144 H HA -0.028 4.528 4.556 -0.000 0.000 0.300 144 H C 2.326 177.614 175.328 -0.066 0.000 1.090 144 H CA 0.940 56.973 56.048 -0.024 0.000 1.327 144 H CB -0.379 29.440 29.762 0.095 0.000 1.383 144 H HN 0.144 nan 8.280 nan 0.000 0.508 145 S N 0.379 116.078 115.700 -0.002 0.000 2.462 145 S HA -0.162 4.308 4.470 -0.000 0.000 0.243 145 S C 1.254 175.874 174.600 0.034 0.000 1.003 145 S CA 0.986 59.164 58.200 -0.036 0.000 0.970 145 S CB -0.224 62.898 63.200 -0.130 0.000 0.762 145 S HN 0.399 nan 8.310 nan 0.000 0.510 146 Y N -0.131 120.149 120.300 -0.034 0.000 2.448 146 Y HA 0.195 4.745 4.550 -0.000 0.000 0.289 146 Y C 2.140 177.974 175.900 -0.111 0.000 1.114 146 Y CA -0.555 57.529 58.100 -0.028 0.000 1.235 146 Y CB -0.517 37.957 38.460 0.023 0.000 1.045 146 Y HN 0.088 nan 8.280 nan 0.000 0.554 147 V N -1.849 117.903 119.914 -0.270 0.000 2.599 147 V HA 0.028 4.148 4.120 -0.000 0.000 0.237 147 V C 0.343 176.047 176.094 -0.649 0.000 1.081 147 V CA 0.400 62.189 62.300 -0.851 0.000 1.107 147 V CB -0.315 30.633 31.823 -1.459 0.000 0.808 147 V HN -0.149 nan 8.190 nan 0.000 0.486 148 F N -1.288 118.536 119.950 -0.209 0.000 2.370 148 F HA 0.496 5.023 4.527 -0.000 0.000 0.319 148 F C -0.210 175.528 175.800 -0.103 0.000 1.129 148 F CA -1.197 56.724 58.000 -0.132 0.000 1.109 148 F CB 0.102 39.053 39.000 -0.081 0.000 1.262 148 F HN -0.036 nan 8.300 nan 0.000 0.534 149 Y N 1.321 121.757 120.300 0.227 0.000 2.341 149 Y HA 0.179 4.729 4.550 -0.000 0.000 0.340 149 Y C 0.248 176.221 175.900 0.122 0.000 0.997 149 Y CA -0.719 57.461 58.100 0.134 0.000 1.149 149 Y CB 0.488 39.008 38.460 0.099 0.000 1.171 149 Y HN 0.357 nan 8.280 nan 0.000 0.494 150 Q N 3.467 123.422 119.800 0.260 0.000 2.618 150 Q HA -0.105 4.235 4.340 -0.000 0.000 0.344 150 Q C -0.820 175.276 176.000 0.160 0.000 1.073 150 Q CA 0.670 56.579 55.803 0.177 0.000 1.105 150 Q CB 0.345 29.166 28.738 0.138 0.000 1.028 150 Q HN 0.554 nan 8.270 nan 0.000 0.397 151 L N 3.242 124.543 121.223 0.130 0.000 2.354 151 L HA 0.584 4.924 4.340 -0.000 0.000 0.269 151 L C -0.809 176.110 176.870 0.082 0.000 1.005 151 L CA -0.408 54.498 54.840 0.111 0.000 0.819 151 L CB 1.896 44.033 42.059 0.130 0.000 1.311 151 L HN 0.616 nan 8.230 nan 0.000 0.423 152 R N 4.414 124.952 120.500 0.063 0.000 2.518 152 R HA 0.701 5.041 4.340 -0.000 0.000 0.296 152 R C -1.920 174.384 176.300 0.008 0.000 1.080 152 R CA -0.344 55.774 56.100 0.029 0.000 0.922 152 R CB 0.860 31.168 30.300 0.014 0.000 1.184 152 R HN 0.943 nan 8.270 nan 0.000 0.445 153 C N 0.312 119.611 119.300 -0.003 0.000 3.318 153 C HA 0.542 5.002 4.460 -0.000 0.000 0.322 153 C C -0.236 174.738 174.990 -0.028 0.000 1.398 153 C CA -1.241 57.766 59.018 -0.017 0.000 1.339 153 C CB 1.378 29.158 27.740 0.067 0.000 1.668 153 C HN 0.766 nan 8.230 nan 0.000 0.462 154 H N 1.180 120.295 119.070 0.075 0.000 2.928 154 H HA 0.449 5.005 4.556 -0.000 0.000 0.338 154 H C -0.096 175.382 175.328 0.249 0.000 1.047 154 H CA 1.037 57.165 56.048 0.134 0.000 1.435 154 H CB 0.617 30.465 29.762 0.144 0.000 1.428 154 H HN 0.616 nan 8.280 nan 0.000 0.590 155 L N 0.031 121.480 121.223 0.376 0.000 2.598 155 L HA 0.682 5.022 4.340 -0.000 0.000 0.246 155 L C -0.519 176.415 176.870 0.107 0.000 1.124 155 L CA -1.075 53.978 54.840 0.355 0.000 1.019 155 L CB 0.772 42.922 42.059 0.151 0.000 1.583 155 L HN 0.610 nan 8.230 nan 0.000 0.386 156 S N -1.250 114.422 115.700 -0.047 0.000 2.556 156 S HA 0.786 5.256 4.470 -0.000 0.000 0.280 156 S C -1.553 172.934 174.600 -0.188 0.000 1.141 156 S CA -0.625 57.425 58.200 -0.249 0.000 0.883 156 S CB 0.981 63.976 63.200 -0.342 0.000 1.103 156 S HN 1.505 nan 8.310 nan 0.000 0.453 157 Y N -0.654 119.556 120.300 -0.150 0.000 2.665 157 Y HA 0.901 5.451 4.550 -0.000 0.000 0.336 157 Y C -1.255 174.495 175.900 -0.249 0.000 1.085 157 Y CA -1.985 55.999 58.100 -0.193 0.000 1.096 157 Y CB 0.673 39.019 38.460 -0.189 0.000 1.301 157 Y HN 0.570 nan 8.280 nan 0.000 0.493 158 V N 1.509 121.450 119.914 0.044 0.000 2.357 158 V HA 0.772 4.892 4.120 -0.000 0.000 0.281 158 V C 0.112 176.136 176.094 -0.117 0.000 1.015 158 V CA -0.885 61.364 62.300 -0.085 0.000 0.827 158 V CB 0.248 31.967 31.823 -0.173 0.000 1.018 158 V HN 1.108 nan 8.190 nan 0.000 0.432 159 A N 4.992 127.776 122.820 -0.059 0.000 2.388 159 A HA 0.831 5.151 4.320 -0.000 0.000 0.257 159 A C -0.772 176.780 177.584 -0.053 0.000 1.095 159 A CA -0.150 51.803 52.037 -0.140 0.000 0.791 159 A CB 0.930 19.848 19.000 -0.137 0.000 1.029 159 A HN 0.823 nan 8.150 nan 0.000 0.489 160 L N 1.305 122.497 121.223 -0.051 0.000 2.472 160 L HA 0.726 5.066 4.340 -0.000 0.000 0.260 160 L C -0.446 176.430 176.870 0.009 0.000 0.963 160 L CA 0.196 55.058 54.840 0.037 0.000 0.829 160 L CB 2.304 44.448 42.059 0.142 0.000 1.348 160 L HN 0.664 nan 8.230 nan 0.000 0.408 161 S N 4.692 120.414 115.700 0.037 0.000 2.706 161 S HA 0.815 5.285 4.470 -0.000 0.000 0.270 161 S C -1.252 173.386 174.600 0.064 0.000 1.163 161 S CA -0.555 57.665 58.200 0.034 0.000 1.042 161 S CB 0.368 63.571 63.200 0.005 0.000 1.079 161 S HN 0.424 nan 8.310 nan 0.000 0.474 162 I N 3.106 123.741 120.570 0.109 0.000 3.067 162 I HA 0.546 4.716 4.170 -0.000 0.000 0.312 162 I C 0.729 176.888 176.117 0.069 0.000 1.073 162 I CA -0.886 60.460 61.300 0.077 0.000 1.016 162 I CB 1.142 39.161 38.000 0.033 0.000 1.227 162 I HN 0.764 nan 8.210 nan 0.000 0.456 163 N N 2.029 120.739 118.700 0.016 0.000 2.678 163 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 163 N C 0.594 176.111 175.510 0.011 0.000 1.119 163 N CA 1.403 54.452 53.050 -0.002 0.000 0.718 163 N CB -1.153 37.321 38.487 -0.022 0.000 1.060 163 N HN 1.142 nan 8.380 nan 0.000 0.552 164 G N 0.382 109.192 108.800 0.017 0.000 2.392 164 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.290 164 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.290 164 G C 0.140 175.045 174.900 0.008 0.000 1.032 164 G CA 0.195 45.300 45.100 0.009 0.000 1.269 164 G HN 0.529 nan 8.290 nan 0.000 0.511 165 D N -1.391 119.016 120.400 0.011 0.000 3.070 165 D HA -0.185 4.455 4.640 -0.000 0.000 0.220 165 D C 1.627 177.930 176.300 0.005 0.000 1.176 165 D CA 1.806 55.804 54.000 -0.003 0.000 0.924 165 D CB -0.348 40.441 40.800 -0.018 0.000 1.124 165 D HN 0.750 nan 8.370 nan 0.000 0.411 166 K N -0.862 119.558 120.400 0.033 0.000 2.400 166 K HA 0.085 4.405 4.320 -0.000 0.000 0.194 166 K C 0.554 177.225 176.600 0.118 0.000 1.033 166 K CA 0.308 56.621 56.287 0.043 0.000 1.021 166 K CB 0.572 33.087 32.500 0.025 0.000 0.808 166 K HN 0.168 nan 8.250 nan 0.000 0.505 167 F N 1.588 121.511 119.950 -0.046 0.000 2.615 167 F HA 0.171 4.698 4.527 -0.000 0.000 0.312 167 F C -1.947 173.851 175.800 -0.003 0.000 1.119 167 F CA -0.686 57.297 58.000 -0.028 0.000 0.979 167 F CB 1.556 40.512 39.000 -0.074 0.000 1.266 167 F HN -0.120 nan 8.300 nan 0.000 0.444 168 Q N 4.963 124.356 119.800 -0.677 0.000 2.391 168 Q HA 0.431 4.771 4.340 -0.000 0.000 0.279 168 Q C -2.335 173.444 176.000 -0.368 0.000 1.028 168 Q CA -1.056 54.524 55.803 -0.373 0.000 0.836 168 Q CB 3.068 31.688 28.738 -0.196 0.000 1.414 168 Q HN 0.707 nan 8.270 nan 0.000 0.397 169 Y N 0.485 120.631 120.300 -0.256 0.000 2.499 169 Y HA 0.672 5.222 4.550 -0.000 0.000 0.347 169 Y C -1.486 174.333 175.900 -0.136 0.000 0.987 169 Y CA -0.562 57.450 58.100 -0.146 0.000 1.044 169 Y CB 2.770 41.260 38.460 0.049 0.000 1.245 169 Y HN 0.754 nan 8.280 nan 0.000 0.461 170 T N 3.955 117.967 114.554 -0.903 0.000 2.890 170 T HA 0.399 4.749 4.350 -0.000 0.000 0.295 170 T C -0.119 174.026 174.700 -0.925 0.000 0.993 170 T CA -0.431 61.208 62.100 -0.768 0.000 0.979 170 T CB 1.081 69.685 68.868 -0.439 0.000 0.967 170 T HN 0.947 nan 8.240 nan 0.000 0.441 171 G N 2.234 110.613 108.800 -0.701 0.000 3.506 171 G HA2 0.504 4.464 3.960 -0.000 0.000 0.268 171 G HA3 0.504 4.464 3.960 -0.000 0.000 0.268 171 G C 0.406 175.227 174.900 -0.131 0.000 0.959 171 G CA -0.577 44.307 45.100 -0.361 0.000 1.823 171 G HN 0.977 nan 8.290 nan 0.000 0.615 172 A N 2.907 125.654 122.820 -0.122 0.000 2.454 172 A HA 0.676 4.996 4.320 -0.000 0.000 0.260 172 A C 0.343 177.869 177.584 -0.096 0.000 1.106 172 A CA -0.103 51.904 52.037 -0.050 0.000 0.780 172 A CB -0.013 18.953 19.000 -0.057 0.000 1.044 172 A HN 0.978 nan 8.150 nan 0.000 0.498 173 M N 1.806 121.365 119.600 -0.069 0.000 2.470 173 M HA 0.695 5.175 4.480 -0.000 0.000 0.285 173 M C -0.697 175.646 176.300 0.072 0.000 1.213 173 M CA -0.436 54.805 55.300 -0.099 0.000 0.901 173 M CB 1.932 34.571 32.600 0.066 0.000 1.718 173 M HN 0.496 nan 8.290 nan 0.000 0.469 174 T N -0.478 114.061 114.554 -0.025 0.000 2.883 174 T HA 0.485 4.835 4.350 -0.000 0.000 0.284 174 T C 0.970 175.796 174.700 0.211 0.000 1.041 174 T CA 0.111 62.302 62.100 0.152 0.000 1.007 174 T CB 1.495 70.254 68.868 -0.182 0.000 1.220 174 T HN 0.942 nan 8.240 nan 0.000 0.552 175 S N 0.259 115.769 115.700 -0.318 0.000 2.547 175 S HA 0.060 4.530 4.470 -0.000 0.000 0.235 175 S C 1.297 176.000 174.600 0.171 0.000 0.980 175 S CA 0.727 58.718 58.200 -0.348 0.000 0.941 175 S CB -0.279 62.538 63.200 -0.638 0.000 0.763 175 S HN 0.683 nan 8.310 nan 0.000 0.532 176 K N -0.250 120.326 120.400 0.293 0.000 2.424 176 K HA 0.324 4.644 4.320 -0.000 0.000 0.198 176 K C -0.159 176.806 176.600 0.609 0.000 1.190 176 K CA 0.197 56.771 56.287 0.478 0.000 0.935 176 K CB 0.752 33.461 32.500 0.348 0.000 1.087 176 K HN 0.596 nan 8.250 nan 0.000 0.524 177 F N -0.495 119.578 119.950 0.205 0.000 2.668 177 F HA 0.551 5.078 4.527 -0.000 0.000 0.309 177 F C -1.614 173.862 175.800 -0.540 0.000 1.117 177 F CA -1.695 56.178 58.000 -0.213 0.000 0.951 177 F CB 0.929 39.842 39.000 -0.145 0.000 1.323 177 F HN -0.297 nan 8.300 nan 0.000 0.451 178 L N 4.025 124.772 121.223 -0.794 0.000 2.334 178 L HA 0.753 5.093 4.340 -0.000 0.000 0.273 178 L C -1.164 175.699 176.870 -0.011 0.000 1.013 178 L CA -0.710 53.805 54.840 -0.542 0.000 0.816 178 L CB 1.895 43.580 42.059 -0.623 0.000 1.278 178 L HN 0.918 nan 8.230 nan 0.000 0.431 179 M N 4.579 124.188 119.600 0.014 0.000 2.167 179 M HA 0.387 4.867 4.480 -0.000 0.000 0.218 179 M C -0.685 175.653 176.300 0.063 0.000 0.968 179 M CA -0.236 55.128 55.300 0.106 0.000 1.004 179 M CB 0.653 33.311 32.600 0.098 0.000 2.485 179 M HN 0.836 nan 8.290 nan 0.000 0.404 180 G N 2.190 111.092 108.800 0.170 0.000 2.444 180 G HA2 0.580 4.540 3.960 -0.000 0.000 0.268 180 G HA3 0.580 4.540 3.960 -0.000 0.000 0.268 180 G C -0.258 174.616 174.900 -0.043 0.000 1.203 180 G CA -0.094 45.065 45.100 0.099 0.000 0.835 180 G HN 0.631 nan 8.290 nan 0.000 0.543 181 T N -1.114 113.362 114.554 -0.131 0.000 2.861 181 T HA 0.586 4.936 4.350 -0.000 0.000 0.287 181 T C -1.111 173.503 174.700 -0.143 0.000 1.003 181 T CA -0.763 61.256 62.100 -0.135 0.000 0.977 181 T CB 1.399 70.263 68.868 -0.006 0.000 0.996 181 T HN 0.324 nan 8.240 nan 0.000 0.448 182 Y N 1.292 121.578 120.300 -0.023 0.000 2.387 182 Y HA 0.698 5.248 4.550 -0.000 0.000 0.330 182 Y C 0.551 176.436 175.900 -0.024 0.000 1.133 182 Y CA -1.254 56.786 58.100 -0.100 0.000 1.152 182 Y CB 1.753 40.041 38.460 -0.287 0.000 1.215 182 Y HN 0.754 nan 8.280 nan 0.000 0.466 183 K N 3.602 124.006 120.400 0.007 0.000 2.652 183 K HA 0.417 4.737 4.320 -0.000 0.000 0.249 183 K C -1.225 175.312 176.600 -0.104 0.000 0.986 183 K CA -0.670 55.609 56.287 -0.013 0.000 0.867 183 K CB 1.329 33.756 32.500 -0.121 0.000 1.201 183 K HN 0.772 nan 8.250 nan 0.000 0.450 184 R N 2.837 123.391 120.500 0.091 0.000 2.873 184 R HA 0.674 5.014 4.340 -0.000 0.000 0.264 184 R C -1.444 174.889 176.300 0.056 0.000 1.026 184 R CA -0.703 55.478 56.100 0.134 0.000 1.002 184 R CB 1.944 32.336 30.300 0.153 0.000 1.174 184 R HN 0.341 nan 8.270 nan 0.000 0.488 185 V N 1.893 121.838 119.914 0.051 0.000 2.612 185 V HA 0.240 4.360 4.120 -0.000 0.000 0.301 185 V C -0.038 176.067 176.094 0.017 0.000 1.059 185 V CA -0.844 61.464 62.300 0.012 0.000 0.886 185 V CB 1.874 33.691 31.823 -0.010 0.000 1.007 185 V HN 0.906 nan 8.190 nan 0.000 0.426 186 T N 2.431 117.001 114.554 0.026 0.000 2.698 186 T HA 0.117 4.467 4.350 -0.000 0.000 0.295 186 T C 1.315 176.016 174.700 0.001 0.000 1.007 186 T CA -0.504 61.612 62.100 0.026 0.000 0.980 186 T CB 0.648 69.549 68.868 0.055 0.000 1.036 186 T HN 0.733 nan 8.240 nan 0.000 0.526 187 E N 0.309 120.508 120.200 -0.002 0.000 2.171 187 E HA -0.098 4.252 4.350 -0.000 0.000 0.197 187 E C 0.864 177.459 176.600 -0.009 0.000 0.997 187 E CA 1.245 57.640 56.400 -0.008 0.000 0.810 187 E CB -0.116 29.580 29.700 -0.008 0.000 0.738 187 E HN 0.490 nan 8.360 nan 0.000 0.467 188 K N -0.431 119.965 120.400 -0.007 0.000 2.179 188 K HA 0.314 4.634 4.320 -0.000 0.000 0.238 188 K C 1.164 177.751 176.600 -0.023 0.000 1.033 188 K CA 0.254 56.533 56.287 -0.012 0.000 0.926 188 K CB 0.758 33.254 32.500 -0.008 0.000 1.151 188 K HN 0.021 nan 8.250 nan 0.000 0.492 189 G N 1.041 109.825 108.800 -0.027 0.000 3.028 189 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.205 189 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.205 189 G C -0.368 174.497 174.900 -0.058 0.000 1.182 189 G CA 0.076 45.154 45.100 -0.037 0.000 0.860 189 G HN 0.532 nan 8.290 nan 0.000 0.507 190 D N 0.634 120.993 120.400 -0.070 0.000 2.417 190 D HA 0.156 4.796 4.640 -0.000 0.000 0.250 190 D C 0.132 176.316 176.300 -0.193 0.000 1.166 190 D CA 0.513 54.427 54.000 -0.144 0.000 0.881 190 D CB 1.021 41.742 40.800 -0.132 0.000 1.164 190 D HN 0.363 nan 8.370 nan 0.000 0.467 191 E N 2.584 122.643 120.200 -0.235 0.000 2.141 191 E HA 0.132 4.482 4.350 -0.000 0.000 0.259 191 E C -0.858 175.597 176.600 -0.242 0.000 0.883 191 E CA -0.727 55.563 56.400 -0.184 0.000 0.744 191 E CB 0.465 30.099 29.700 -0.111 0.000 1.150 191 E HN 0.401 nan 8.360 nan 0.000 0.420 192 H N 2.660 121.705 119.070 -0.042 0.000 2.467 192 H HA 0.374 4.930 4.556 -0.000 0.000 0.326 192 H C -0.258 174.988 175.328 -0.137 0.000 1.094 192 H CA -0.524 55.430 56.048 -0.156 0.000 1.253 192 H CB 1.498 31.233 29.762 -0.045 0.000 1.439 192 H HN 0.333 nan 8.280 nan 0.000 0.479 193 V N 2.057 121.766 119.914 -0.341 0.000 2.789 193 V HA 0.660 4.780 4.120 -0.000 0.000 0.311 193 V C -0.971 175.158 176.094 0.058 0.000 1.073 193 V CA -1.000 61.294 62.300 -0.010 0.000 0.921 193 V CB 2.219 33.930 31.823 -0.186 0.000 1.009 193 V HN 0.464 nan 8.190 nan 0.000 0.426 194 L N 3.272 124.481 121.223 -0.024 0.000 2.526 194 L HA 0.942 5.282 4.340 -0.000 0.000 0.263 194 L C -0.449 176.368 176.870 -0.088 0.000 0.943 194 L CA 0.133 54.912 54.840 -0.101 0.000 0.859 194 L CB 2.145 43.938 42.059 -0.444 0.000 1.313 194 L HN 1.204 nan 8.230 nan 0.000 0.406 195 S N 4.238 119.945 115.700 0.013 0.000 2.599 195 S HA 0.885 5.355 4.470 -0.000 0.000 0.294 195 S C -0.934 173.633 174.600 -0.056 0.000 1.094 195 S CA -0.910 57.265 58.200 -0.042 0.000 0.931 195 S CB 1.777 65.028 63.200 0.085 0.000 1.093 195 S HN 0.721 nan 8.310 nan 0.000 0.488 196 L N 1.607 122.735 121.223 -0.159 0.000 2.346 196 L HA 0.691 5.031 4.340 -0.000 0.000 0.276 196 L C -1.242 175.634 176.870 0.009 0.000 1.006 196 L CA -1.088 53.642 54.840 -0.184 0.000 0.817 196 L CB 2.070 43.713 42.059 -0.693 0.000 1.272 196 L HN 0.560 nan 8.230 nan 0.000 0.421 197 V N 2.559 122.551 119.914 0.129 0.000 2.407 197 V HA 0.425 4.545 4.120 -0.000 0.000 0.291 197 V C -0.744 175.556 176.094 0.343 0.000 1.018 197 V CA -0.568 61.863 62.300 0.218 0.000 0.842 197 V CB 1.613 33.516 31.823 0.134 0.000 0.996 197 V HN 0.461 nan 8.190 nan 0.000 0.426 198 F N 3.213 123.307 119.950 0.241 0.000 2.522 198 F HA 0.981 5.508 4.527 -0.000 0.000 0.324 198 F C 0.373 176.275 175.800 0.169 0.000 1.077 198 F CA 0.304 58.466 58.000 0.270 0.000 0.944 198 F CB 2.077 41.288 39.000 0.351 0.000 1.175 198 F HN 0.862 nan 8.300 nan 0.000 0.468 199 G N 3.680 112.062 108.800 -0.696 0.000 2.352 199 G HA2 0.127 4.087 3.960 -0.000 0.000 0.302 199 G HA3 0.127 4.087 3.960 -0.000 0.000 0.302 199 G C -1.891 172.913 174.900 -0.160 0.000 1.370 199 G CA -1.328 43.567 45.100 -0.341 0.000 0.918 199 G HN 0.651 nan 8.290 nan 0.000 0.610 200 K N 0.923 121.216 120.400 -0.178 0.000 2.436 200 K HA 0.224 4.544 4.320 -0.000 0.000 0.282 200 K C 1.613 178.067 176.600 -0.242 0.000 1.044 200 K CA 0.546 56.589 56.287 -0.407 0.000 1.028 200 K CB 0.625 32.921 32.500 -0.340 0.000 0.919 200 K HN 0.521 nan 8.250 nan 0.000 0.474 201 T N 2.775 117.192 114.554 -0.229 0.000 2.751 201 T HA -0.261 4.089 4.350 -0.000 0.000 0.268 201 T C 1.624 176.202 174.700 -0.202 0.000 1.045 201 T CA 2.061 64.038 62.100 -0.206 0.000 1.142 201 T CB -0.177 68.608 68.868 -0.138 0.000 0.851 201 T HN 0.654 nan 8.240 nan 0.000 0.474 202 K N 1.147 121.452 120.400 -0.158 0.000 2.365 202 K HA -0.011 4.309 4.320 -0.000 0.000 0.199 202 K C 1.271 177.813 176.600 -0.096 0.000 1.045 202 K CA 1.338 57.561 56.287 -0.108 0.000 0.962 202 K CB 0.151 32.601 32.500 -0.083 0.000 0.759 202 K HN 0.171 nan 8.250 nan 0.000 0.469 203 D N 0.456 120.790 120.400 -0.111 0.000 2.349 203 D HA 0.067 4.707 4.640 -0.000 0.000 0.214 203 D C -0.184 175.980 176.300 -0.227 0.000 1.063 203 D CA -0.098 53.856 54.000 -0.076 0.000 0.847 203 D CB 0.160 40.990 40.800 0.051 0.000 0.933 203 D HN 0.080 nan 8.370 nan 0.000 0.513 204 L N 2.115 123.136 121.223 -0.337 0.000 2.514 204 L HA 0.079 4.419 4.340 -0.000 0.000 0.280 204 L C -1.671 174.998 176.870 -0.334 0.000 1.223 204 L CA -0.632 53.895 54.840 -0.522 0.000 0.864 204 L CB -0.562 41.001 42.059 -0.825 0.000 1.118 204 L HN -0.179 nan 8.230 nan 0.000 0.494 205 P HA -0.032 nan 4.420 nan 0.000 0.272 205 P C -1.101 176.295 177.300 0.159 0.000 1.239 205 P CA -0.075 62.886 63.100 -0.233 0.000 0.807 205 P CB 0.349 31.750 31.700 -0.498 0.000 0.951 206 D N 0.588 121.104 120.400 0.194 0.000 2.277 206 D HA 0.188 4.828 4.640 -0.000 0.000 0.249 206 D C 0.117 176.634 176.300 0.362 0.000 1.134 206 D CA -0.073 54.090 54.000 0.273 0.000 0.863 206 D CB 0.528 41.465 40.800 0.227 0.000 1.143 206 D HN 0.186 nan 8.370 nan 0.000 0.458 207 L N 2.215 123.558 121.223 0.200 0.000 2.371 207 L HA 0.280 4.620 4.340 -0.000 0.000 0.272 207 L C 1.862 178.801 176.870 0.115 0.000 1.124 207 L CA -0.413 54.447 54.840 0.032 0.000 0.816 207 L CB 1.269 43.233 42.059 -0.159 0.000 1.129 207 L HN 0.314 nan 8.230 nan 0.000 0.448 208 R N 1.972 122.406 120.500 -0.110 0.000 1.967 208 R HA 0.147 4.487 4.340 -0.000 0.000 0.184 208 R C 1.063 177.325 176.300 -0.063 0.000 1.350 208 R CA 0.582 56.455 56.100 -0.378 0.000 1.232 208 R CB -0.520 29.382 30.300 -0.663 0.000 0.813 208 R HN 0.798 nan 8.270 nan 0.000 0.512 209 G N 0.518 109.311 108.800 -0.012 0.000 2.443 209 G HA2 0.011 3.971 3.960 -0.000 0.000 0.286 209 G HA3 0.011 3.971 3.960 -0.000 0.000 0.286 209 G C -2.043 172.716 174.900 -0.234 0.000 1.393 209 G CA -0.762 44.261 45.100 -0.129 0.000 1.080 209 G HN 0.356 nan 8.290 nan 0.000 0.566 210 P HA 0.199 nan 4.420 nan 0.000 0.245 210 P C -1.083 175.844 177.300 -0.621 0.000 1.670 210 P CA 0.423 63.238 63.100 -0.475 0.000 1.146 210 P CB -0.474 30.912 31.700 -0.523 0.000 1.954 211 F N 0.506 120.385 119.950 -0.119 0.000 2.520 211 F HA 0.461 4.988 4.527 -0.000 0.000 0.322 211 F C 0.453 176.165 175.800 -0.146 0.000 1.103 211 F CA -0.661 57.267 58.000 -0.121 0.000 0.926 211 F CB 1.760 40.631 39.000 -0.215 0.000 1.154 211 F HN -0.109 nan 8.300 nan 0.000 0.453 212 S N 1.797 117.557 115.700 0.101 0.000 2.647 212 S HA 0.341 4.811 4.470 -0.000 0.000 0.300 212 S C 0.259 174.883 174.600 0.040 0.000 1.129 212 S CA -0.722 57.500 58.200 0.037 0.000 1.029 212 S CB 0.533 63.759 63.200 0.043 0.000 1.007 212 S HN 0.646 nan 8.310 nan 0.000 0.484 213 Y N 2.734 123.065 120.300 0.051 0.000 2.173 213 Y HA -0.164 4.386 4.550 -0.000 0.000 0.282 213 Y C -0.225 175.677 175.900 0.004 0.000 1.192 213 Y CA 2.292 60.407 58.100 0.023 0.000 1.176 213 Y CB -1.254 37.219 38.460 0.022 0.000 0.969 213 Y HN 0.568 nan 8.280 nan 0.000 0.519 214 P HA -0.192 nan 4.420 nan 0.000 0.215 214 P C 1.241 178.565 177.300 0.040 0.000 1.157 214 P CA 2.356 65.505 63.100 0.082 0.000 0.874 214 P CB -0.263 31.473 31.700 0.060 0.000 0.790 215 S N -1.626 114.097 115.700 0.039 0.000 2.786 215 S HA 0.127 4.597 4.470 -0.000 0.000 0.223 215 S C 1.482 176.046 174.600 -0.059 0.000 0.956 215 S CA 0.186 58.384 58.200 -0.003 0.000 0.961 215 S CB -1.022 62.208 63.200 0.050 0.000 0.784 215 S HN 0.141 nan 8.310 nan 0.000 0.519 216 L N -0.360 120.851 121.223 -0.021 0.000 3.284 216 L HA 0.219 4.559 4.340 -0.000 0.000 0.294 216 L C -0.058 176.821 176.870 0.015 0.000 1.183 216 L CA 0.014 54.829 54.840 -0.042 0.000 1.056 216 L CB 0.507 42.551 42.059 -0.026 0.000 1.513 216 L HN 0.139 nan 8.230 nan 0.000 0.601 217 T N -0.858 113.718 114.554 0.037 0.000 2.869 217 T HA 0.121 4.471 4.350 -0.000 0.000 0.295 217 T C 0.947 175.620 174.700 -0.045 0.000 0.987 217 T CA 0.202 62.309 62.100 0.013 0.000 1.109 217 T CB 2.387 71.259 68.868 0.008 0.000 0.932 217 T HN -0.067 nan 8.240 nan 0.000 0.518 218 S N 1.275 116.935 115.700 -0.067 0.000 2.468 218 S HA 0.495 4.965 4.470 -0.000 0.000 0.226 218 S C 0.560 175.066 174.600 -0.156 0.000 1.051 218 S CA 0.075 58.228 58.200 -0.078 0.000 0.943 218 S CB 0.184 63.368 63.200 -0.028 0.000 0.810 218 S HN 0.894 nan 8.310 nan 0.000 0.509 219 A N 0.862 123.482 122.820 -0.332 0.000 2.422 219 A HA 0.763 5.083 4.320 -0.000 0.000 0.302 219 A C -0.954 176.229 177.584 -0.669 0.000 1.041 219 A CA -0.478 51.217 52.037 -0.570 0.000 0.708 219 A CB 1.517 19.936 19.000 -0.968 0.000 1.257 219 A HN 0.354 nan 8.150 nan 0.000 0.414 220 Q N 1.462 121.090 119.800 -0.286 0.000 2.305 220 Q HA 0.653 4.993 4.340 -0.000 0.000 0.271 220 Q C -0.763 175.359 176.000 0.203 0.000 1.046 220 Q CA -0.398 55.392 55.803 -0.022 0.000 0.798 220 Q CB 2.033 30.767 28.738 -0.006 0.000 1.286 220 Q HN 0.790 nan 8.270 nan 0.000 0.435 221 S N 0.814 116.738 115.700 0.374 0.000 2.623 221 S HA 0.459 4.929 4.470 -0.000 0.000 0.287 221 S C 0.922 175.635 174.600 0.188 0.000 1.123 221 S CA -0.097 58.303 58.200 0.332 0.000 1.016 221 S CB 0.677 64.136 63.200 0.432 0.000 1.233 221 S HN 0.842 nan 8.310 nan 0.000 0.512 222 G N 0.169 109.057 108.800 0.148 0.000 2.484 222 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.218 222 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.218 222 G C -0.101 174.815 174.900 0.027 0.000 1.130 222 G CA 0.955 46.100 45.100 0.075 0.000 0.784 222 G HN 0.746 nan 8.290 nan 0.000 0.543 223 D N -2.908 117.500 120.400 0.014 0.000 2.682 223 D HA 0.152 4.792 4.640 -0.000 0.000 0.291 223 D C -0.695 175.434 176.300 -0.286 0.000 1.585 223 D CA -0.622 53.292 54.000 -0.142 0.000 0.845 223 D CB -0.338 40.328 40.800 -0.224 0.000 1.323 223 D HN 0.223 nan 8.370 nan 0.000 0.438 224 Y N 0.592 120.945 120.300 0.088 0.000 2.462 224 Y HA 0.727 5.277 4.550 -0.000 0.000 0.346 224 Y C -0.039 176.033 175.900 0.287 0.000 0.976 224 Y CA -0.817 57.358 58.100 0.125 0.000 1.044 224 Y CB 2.559 41.104 38.460 0.141 0.000 1.230 224 Y HN -0.201 nan 8.280 nan 0.000 0.455 225 S N 2.292 118.213 115.700 0.368 0.000 2.595 225 S HA 0.675 5.145 4.470 -0.000 0.000 0.281 225 S C -2.033 172.730 174.600 0.272 0.000 1.117 225 S CA -0.685 57.620 58.200 0.175 0.000 0.873 225 S CB 2.161 65.342 63.200 -0.031 0.000 1.108 225 S HN 0.442 nan 8.310 nan 0.000 0.477 226 L N 2.635 123.885 121.223 0.046 0.000 2.427 226 L HA 0.586 4.926 4.340 -0.000 0.000 0.264 226 L C -1.348 175.564 176.870 0.070 0.000 0.989 226 L CA -0.331 54.613 54.840 0.174 0.000 0.865 226 L CB 1.000 43.112 42.059 0.088 0.000 1.209 226 L HN 0.481 nan 8.230 nan 0.000 0.430 227 V N 5.451 125.436 119.914 0.119 0.000 2.567 227 V HA 0.459 4.579 4.120 -0.000 0.000 0.289 227 V C 0.293 176.450 176.094 0.104 0.000 1.049 227 V CA -0.420 61.953 62.300 0.122 0.000 0.969 227 V CB 1.708 33.667 31.823 0.226 0.000 0.995 227 V HN 0.526 nan 8.190 nan 0.000 0.471 228 I N 4.137 124.755 120.570 0.081 0.000 2.405 228 I HA 0.328 4.498 4.170 -0.000 0.000 0.280 228 I C -0.653 175.501 176.117 0.062 0.000 1.027 228 I CA -0.503 60.849 61.300 0.088 0.000 1.161 228 I CB 1.472 39.560 38.000 0.146 0.000 1.300 228 I HN 0.281 nan 8.210 nan 0.000 0.463 229 V N 5.109 125.064 119.914 0.067 0.000 2.333 229 V HA 0.605 4.725 4.120 -0.000 0.000 0.274 229 V C 0.155 176.298 176.094 0.082 0.000 1.028 229 V CA -0.052 62.258 62.300 0.018 0.000 0.851 229 V CB 1.050 32.899 31.823 0.044 0.000 1.000 229 V HN 0.840 nan 8.190 nan 0.000 0.456 230 T N 2.694 117.284 114.554 0.059 0.000 2.770 230 T HA 0.419 4.769 4.350 -0.000 0.000 0.323 230 T C -0.401 174.356 174.700 0.094 0.000 1.683 230 T CA 0.121 62.311 62.100 0.149 0.000 1.024 230 T CB 1.876 70.866 68.868 0.203 0.000 1.557 230 T HN 0.888 nan 8.240 nan 0.000 0.494 231 T N 0.708 115.388 114.554 0.210 0.000 2.918 231 T HA 0.548 4.898 4.350 -0.000 0.000 0.283 231 T C 1.076 175.831 174.700 0.091 0.000 1.001 231 T CA -0.459 61.694 62.100 0.087 0.000 1.041 231 T CB 0.570 69.496 68.868 0.097 0.000 1.028 231 T HN 0.406 nan 8.240 nan 0.000 0.511 232 F N 1.068 121.102 119.950 0.139 0.000 2.171 232 F HA -0.034 4.493 4.527 -0.000 0.000 0.300 232 F C 2.665 178.535 175.800 0.117 0.000 1.090 232 F CA 1.043 59.131 58.000 0.147 0.000 1.293 232 F CB -1.022 38.031 39.000 0.088 0.000 1.013 232 F HN 0.424 nan 8.300 nan 0.000 0.486 233 V N -0.483 119.558 119.914 0.212 0.000 2.332 233 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 233 V C 2.410 178.562 176.094 0.096 0.000 1.055 233 V CA 2.144 64.492 62.300 0.080 0.000 1.038 233 V CB -0.872 30.912 31.823 -0.065 0.000 0.651 233 V HN 0.363 nan 8.190 nan 0.000 0.450 234 H N -1.459 117.771 119.070 0.267 0.000 2.333 234 H HA -0.093 4.463 4.556 -0.000 0.000 0.302 234 H C 2.188 177.668 175.328 0.254 0.000 1.075 234 H CA 1.784 58.005 56.048 0.288 0.000 1.348 234 H CB -0.679 29.323 29.762 0.400 0.000 1.393 234 H HN 0.503 nan 8.280 nan 0.000 0.509 235 Y N 1.782 122.230 120.300 0.245 0.000 2.228 235 Y HA -0.280 4.270 4.550 -0.000 0.000 0.285 235 Y C 2.523 178.467 175.900 0.073 0.000 1.178 235 Y CA 1.223 59.374 58.100 0.085 0.000 1.202 235 Y CB -0.361 37.989 38.460 -0.185 0.000 0.974 235 Y HN 0.200 nan 8.280 nan 0.000 0.527 236 A N 0.152 123.013 122.820 0.069 0.000 1.841 236 A HA -0.243 4.077 4.320 -0.000 0.000 0.214 236 A C 2.146 179.654 177.584 -0.126 0.000 1.195 236 A CA 1.785 53.798 52.037 -0.039 0.000 0.611 236 A CB -1.138 17.873 19.000 0.019 0.000 0.835 236 A HN 0.581 nan 8.150 nan 0.000 0.443 237 N N -1.631 116.951 118.700 -0.197 0.000 2.272 237 N HA -0.126 4.614 4.740 -0.000 0.000 0.185 237 N C 1.174 176.457 175.510 -0.378 0.000 1.014 237 N CA 1.511 54.362 53.050 -0.333 0.000 0.870 237 N CB -0.311 37.704 38.487 -0.787 0.000 0.975 237 N HN 0.390 nan 8.380 nan 0.000 0.433 238 F N -0.617 119.120 119.950 -0.355 0.000 2.317 238 F HA 0.098 4.625 4.527 -0.000 0.000 0.293 238 F C 2.366 177.750 175.800 -0.694 0.000 1.085 238 F CA 0.708 58.343 58.000 -0.607 0.000 1.390 238 F CB -0.530 38.284 39.000 -0.310 0.000 1.077 238 F HN 0.270 nan 8.300 nan 0.000 0.517 239 H N 0.360 119.147 119.070 -0.471 0.000 2.543 239 H HA -0.086 4.470 4.556 -0.000 0.000 0.286 239 H C 1.411 176.556 175.328 -0.305 0.000 1.037 239 H CA 0.854 56.609 56.048 -0.489 0.000 1.250 239 H CB -0.061 29.330 29.762 -0.617 0.000 1.373 239 H HN 0.206 nan 8.280 nan 0.000 0.580 240 N N 0.263 118.852 118.700 -0.186 0.000 2.331 240 N HA -0.131 4.609 4.740 -0.000 0.000 0.180 240 N C 0.734 176.240 175.510 -0.005 0.000 1.019 240 N CA 1.197 54.218 53.050 -0.049 0.000 0.881 240 N CB 0.080 38.585 38.487 0.030 0.000 0.972 240 N HN 0.655 nan 8.380 nan 0.000 0.435 241 Y N -3.851 116.419 120.300 -0.050 0.000 2.666 241 Y HA 0.423 4.973 4.550 -0.000 0.000 0.260 241 Y C -0.607 175.319 175.900 0.044 0.000 1.089 241 Y CA -1.028 57.048 58.100 -0.040 0.000 1.246 241 Y CB -0.229 38.187 38.460 -0.073 0.000 1.353 241 Y HN -0.205 nan 8.280 nan 0.000 0.558 242 F N 2.230 121.915 119.950 -0.441 0.000 2.771 242 F HA 0.687 5.214 4.527 -0.000 0.000 0.365 242 F C -1.478 174.102 175.800 -0.367 0.000 1.169 242 F CA -2.005 55.798 58.000 -0.328 0.000 1.093 242 F CB 1.516 40.313 39.000 -0.338 0.000 1.363 242 F HN -0.168 nan 8.300 nan 0.000 0.496 243 V N 7.603 127.141 119.914 -0.627 0.000 2.260 243 V HA 0.293 4.413 4.120 -0.000 0.000 0.263 243 V C -1.993 173.770 176.094 -0.552 0.000 1.036 243 V CA -1.243 60.684 62.300 -0.623 0.000 0.874 243 V CB 0.354 31.898 31.823 -0.464 0.000 1.116 243 V HN 0.546 nan 8.190 nan 0.000 0.454 244 P HA 0.069 nan 4.420 nan 0.000 0.269 244 P C -0.115 177.069 177.300 -0.194 0.000 1.209 244 P CA -0.096 62.707 63.100 -0.496 0.000 0.776 244 P CB 0.935 32.272 31.700 -0.605 0.000 0.876 245 N N 2.483 121.145 118.700 -0.062 0.000 3.303 245 N HA 0.047 4.787 4.740 -0.000 0.000 0.304 245 N C 1.397 176.945 175.510 0.064 0.000 1.302 245 N CA -0.123 52.931 53.050 0.007 0.000 1.213 245 N CB -0.610 37.898 38.487 0.036 0.000 1.481 245 N HN 0.349 nan 8.380 nan 0.000 0.546 246 L N 0.622 121.876 121.223 0.053 0.000 2.123 246 L HA -0.340 4.000 4.340 -0.000 0.000 0.217 246 L C 2.249 179.217 176.870 0.163 0.000 1.081 246 L CA 1.605 56.510 54.840 0.109 0.000 0.772 246 L CB -0.377 41.719 42.059 0.062 0.000 0.890 246 L HN 0.359 nan 8.230 nan 0.000 0.437 247 K N 0.082 120.555 120.400 0.122 0.000 1.971 247 K HA -0.203 4.117 4.320 -0.000 0.000 0.221 247 K C 1.785 178.494 176.600 0.181 0.000 1.050 247 K CA 2.047 58.421 56.287 0.146 0.000 0.967 247 K CB -0.442 32.116 32.500 0.097 0.000 0.733 247 K HN 0.265 nan 8.250 nan 0.000 0.445 248 D N 0.627 121.104 120.400 0.127 0.000 2.144 248 D HA -0.172 4.468 4.640 -0.000 0.000 0.199 248 D C 1.801 178.173 176.300 0.121 0.000 0.984 248 D CA 1.076 55.137 54.000 0.102 0.000 0.834 248 D CB -0.228 40.618 40.800 0.076 0.000 0.955 248 D HN 0.192 nan 8.370 nan 0.000 0.465 249 M N -0.687 119.015 119.600 0.171 0.000 2.202 249 M HA -0.187 4.293 4.480 -0.000 0.000 0.262 249 M C 1.831 178.257 176.300 0.211 0.000 1.063 249 M CA 1.258 56.690 55.300 0.220 0.000 1.097 249 M CB -0.005 32.756 32.600 0.269 0.000 1.382 249 M HN 0.011 nan 8.290 nan 0.000 0.413 250 F N 0.120 120.117 119.950 0.077 0.000 2.118 250 F HA -0.057 4.470 4.527 -0.000 0.000 0.293 250 F C 2.263 178.063 175.800 -0.001 0.000 1.102 250 F CA 1.741 59.772 58.000 0.052 0.000 1.247 250 F CB -0.715 38.361 39.000 0.126 0.000 1.017 250 F HN 0.097 nan 8.300 nan 0.000 0.475 251 S N 0.779 116.486 115.700 0.013 0.000 2.359 251 S HA -0.285 4.185 4.470 -0.000 0.000 0.222 251 S C 2.136 176.616 174.600 -0.200 0.000 1.038 251 S CA 1.717 59.852 58.200 -0.109 0.000 1.051 251 S CB -0.621 62.595 63.200 0.026 0.000 0.944 251 S HN 0.351 nan 8.310 nan 0.000 0.433 252 R N 0.932 121.355 120.500 -0.128 0.000 2.139 252 R HA -0.082 4.258 4.340 -0.000 0.000 0.243 252 R C 2.114 178.277 176.300 -0.229 0.000 1.145 252 R CA 1.219 57.238 56.100 -0.136 0.000 0.976 252 R CB -0.360 29.855 30.300 -0.141 0.000 0.866 252 R HN 0.425 nan 8.270 nan 0.000 0.449 253 A N -0.613 121.967 122.820 -0.400 0.000 2.206 253 A HA 0.042 4.362 4.320 -0.000 0.000 0.211 253 A C 1.645 178.770 177.584 -0.764 0.000 1.158 253 A CA 0.622 52.134 52.037 -0.875 0.000 0.761 253 A CB 0.349 18.772 19.000 -0.961 0.000 0.801 253 A HN 0.182 nan 8.150 nan 0.000 0.473 254 V N -0.915 118.658 119.914 -0.567 0.000 2.840 254 V HA 0.005 4.125 4.120 -0.000 0.000 0.234 254 V C 1.381 177.300 176.094 -0.293 0.000 1.159 254 V CA 1.416 63.420 62.300 -0.494 0.000 1.194 254 V CB -0.403 31.066 31.823 -0.590 0.000 0.971 254 V HN 0.559 nan 8.190 nan 0.000 0.494 255 T N 0.451 114.877 114.554 -0.214 0.000 3.414 255 T HA 0.640 4.990 4.350 -0.000 0.000 0.304 255 T C -0.578 174.071 174.700 -0.086 0.000 1.241 255 T CA 0.145 62.181 62.100 -0.107 0.000 1.076 255 T CB -0.122 68.708 68.868 -0.065 0.000 1.134 255 T HN 0.294 nan 8.240 nan 0.000 0.759 256 M N 2.674 122.231 119.600 -0.071 0.000 2.394 256 M HA 0.201 4.681 4.480 -0.000 0.000 0.267 256 M C -0.271 176.047 176.300 0.030 0.000 0.992 256 M CA -0.308 54.985 55.300 -0.012 0.000 0.858 256 M CB 1.812 34.415 32.600 0.005 0.000 2.027 256 M HN 0.567 nan 8.290 nan 0.000 0.508 257 T N 2.601 117.209 114.554 0.091 0.000 2.937 257 T HA 0.375 4.725 4.350 -0.000 0.000 0.316 257 T C 1.212 176.016 174.700 0.173 0.000 1.079 257 T CA 0.903 63.105 62.100 0.170 0.000 1.131 257 T CB 0.977 69.977 68.868 0.220 0.000 1.000 257 T HN 0.834 nan 8.240 nan 0.000 0.549 258 A N 4.950 127.909 122.820 0.232 0.000 1.859 258 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 258 A C 2.780 180.387 177.584 0.038 0.000 1.209 258 A CA 2.746 54.869 52.037 0.142 0.000 0.639 258 A CB -1.693 17.436 19.000 0.215 0.000 0.835 258 A HN 1.449 nan 8.150 nan 0.000 0.450 259 A N -1.013 121.752 122.820 -0.092 0.000 1.917 259 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 259 A C 2.475 180.057 177.584 -0.004 0.000 1.182 259 A CA 2.466 54.423 52.037 -0.132 0.000 0.633 259 A CB -1.025 17.842 19.000 -0.222 0.000 0.819 259 A HN 0.516 nan 8.150 nan 0.000 0.448 260 S N -1.996 113.740 115.700 0.060 0.000 2.356 260 S HA -0.154 4.316 4.470 -0.000 0.000 0.223 260 S C 1.861 176.547 174.600 0.143 0.000 1.032 260 S CA 1.435 59.693 58.200 0.096 0.000 1.005 260 S CB -0.572 62.688 63.200 0.101 0.000 0.867 260 S HN 0.665 nan 8.310 nan 0.000 0.449 261 Y N 2.417 122.739 120.300 0.037 0.000 2.207 261 Y HA -0.180 4.370 4.550 -0.000 0.000 0.287 261 Y C 2.402 178.357 175.900 0.092 0.000 1.156 261 Y CA 0.828 58.976 58.100 0.079 0.000 1.182 261 Y CB -0.770 37.700 38.460 0.017 0.000 0.979 261 Y HN 0.226 nan 8.280 nan 0.000 0.521 262 A N 0.193 123.048 122.820 0.059 0.000 1.908 262 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 262 A C 2.341 179.866 177.584 -0.098 0.000 1.181 262 A CA 2.051 54.042 52.037 -0.076 0.000 0.627 262 A CB -0.747 18.170 19.000 -0.138 0.000 0.818 262 A HN 0.529 nan 8.150 nan 0.000 0.445 263 R N -2.051 118.428 120.500 -0.035 0.000 2.093 263 R HA -0.121 4.219 4.340 -0.000 0.000 0.224 263 R C 2.067 178.344 176.300 -0.039 0.000 1.101 263 R CA 1.476 57.564 56.100 -0.020 0.000 0.979 263 R CB -0.564 29.759 30.300 0.038 0.000 0.877 263 R HN 0.591 nan 8.270 nan 0.000 0.441 264 Y N 0.431 120.657 120.300 -0.124 0.000 2.193 264 Y HA -0.220 4.330 4.550 -0.000 0.000 0.285 264 Y C 1.627 177.418 175.900 -0.182 0.000 1.166 264 Y CA 1.768 59.782 58.100 -0.144 0.000 1.181 264 Y CB -0.349 38.002 38.460 -0.182 0.000 0.976 264 Y HN -0.094 nan 8.280 nan 0.000 0.520 265 V N 0.054 119.651 119.914 -0.528 0.000 2.346 265 V HA -0.225 3.895 4.120 -0.000 0.000 0.244 265 V C 2.406 178.316 176.094 -0.306 0.000 1.037 265 V CA 1.518 63.496 62.300 -0.536 0.000 1.029 265 V CB -0.861 30.748 31.823 -0.357 0.000 0.663 265 V HN 0.483 nan 8.190 nan 0.000 0.454 266 L N 0.057 121.164 121.223 -0.193 0.000 2.043 266 L HA -0.280 4.060 4.340 -0.000 0.000 0.212 266 L C 2.516 179.317 176.870 -0.116 0.000 1.075 266 L CA 2.096 56.868 54.840 -0.114 0.000 0.752 266 L CB -0.518 41.503 42.059 -0.064 0.000 0.891 266 L HN 0.374 nan 8.230 nan 0.000 0.432 267 Q N -0.941 118.775 119.800 -0.140 0.000 2.079 267 Q HA -0.237 4.103 4.340 -0.000 0.000 0.200 267 Q C 2.327 178.242 176.000 -0.143 0.000 0.974 267 Q CA 1.597 57.332 55.803 -0.113 0.000 0.840 267 Q CB -0.209 28.479 28.738 -0.083 0.000 0.898 267 Q HN 0.468 nan 8.270 nan 0.000 0.430 268 K N 0.620 120.866 120.400 -0.256 0.000 2.113 268 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 268 K C 2.023 178.545 176.600 -0.130 0.000 1.047 268 K CA 1.013 57.158 56.287 -0.235 0.000 0.928 268 K CB -0.050 32.210 32.500 -0.399 0.000 0.716 268 K HN 0.188 nan 8.250 nan 0.000 0.446 269 L N 0.031 121.180 121.223 -0.123 0.000 2.044 269 L HA -0.159 4.181 4.340 -0.000 0.000 0.205 269 L C 2.289 179.110 176.870 -0.081 0.000 1.075 269 L CA 0.710 55.500 54.840 -0.083 0.000 0.747 269 L CB -0.516 41.491 42.059 -0.086 0.000 0.903 269 L HN -0.019 nan 8.230 nan 0.000 0.435 270 V N 0.477 120.345 119.914 -0.076 0.000 2.324 270 V HA -0.322 3.798 4.120 -0.000 0.000 0.250 270 V C 2.478 178.546 176.094 -0.043 0.000 1.060 270 V CA 1.971 64.235 62.300 -0.059 0.000 1.042 270 V CB -0.531 31.269 31.823 -0.038 0.000 0.650 270 V HN 0.356 nan 8.190 nan 0.000 0.450 271 L N -0.395 120.806 121.223 -0.038 0.000 1.976 271 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 271 L C 2.221 179.081 176.870 -0.017 0.000 1.071 271 L CA 1.983 56.812 54.840 -0.018 0.000 0.746 271 L CB -0.599 41.449 42.059 -0.020 0.000 0.890 271 L HN 0.162 nan 8.230 nan 0.000 0.432 272 L N 0.027 121.237 121.223 -0.022 0.000 2.127 272 L HA -0.228 4.112 4.340 -0.000 0.000 0.211 272 L C 2.597 179.452 176.870 -0.025 0.000 1.089 272 L CA 1.844 56.680 54.840 -0.008 0.000 0.757 272 L CB -0.906 41.164 42.059 0.018 0.000 0.899 272 L HN 0.485 nan 8.230 nan 0.000 0.434 273 E N -0.642 119.525 120.200 -0.055 0.000 2.047 273 E HA -0.227 4.123 4.350 -0.000 0.000 0.191 273 E C 2.217 178.787 176.600 -0.051 0.000 0.987 273 E CA 1.175 57.529 56.400 -0.077 0.000 0.799 273 E CB -0.082 29.554 29.700 -0.106 0.000 0.752 273 E HN 0.441 nan 8.360 nan 0.000 0.449 274 M N 0.095 119.676 119.600 -0.032 0.000 2.460 274 M HA -0.103 4.377 4.480 -0.000 0.000 0.263 274 M C 1.548 177.847 176.300 -0.002 0.000 1.071 274 M CA 1.037 56.332 55.300 -0.009 0.000 1.096 274 M CB 0.115 32.726 32.600 0.018 0.000 1.408 274 M HN -0.099 nan 8.290 nan 0.000 0.463 275 K N -0.118 120.279 120.400 -0.006 0.000 2.417 275 K HA 0.150 4.470 4.320 -0.000 0.000 0.196 275 K C 1.105 177.702 176.600 -0.004 0.000 1.023 275 K CA 0.419 56.706 56.287 -0.000 0.000 1.122 275 K CB 0.200 32.702 32.500 0.003 0.000 0.850 275 K HN 0.486 nan 8.250 nan 0.000 0.521 276 G N 0.902 109.695 108.800 -0.012 0.000 2.189 276 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.267 276 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.267 276 G C 0.807 175.703 174.900 -0.006 0.000 0.975 276 G CA 0.269 45.361 45.100 -0.014 0.000 0.644 276 G HN 0.476 nan 8.290 nan 0.000 0.537 277 G N -0.822 107.981 108.800 0.004 0.000 2.807 277 G HA2 0.085 4.045 3.960 -0.000 0.000 0.207 277 G HA3 0.085 4.045 3.960 -0.000 0.000 0.207 277 G C 1.240 176.180 174.900 0.066 0.000 1.151 277 G CA 1.487 46.611 45.100 0.040 0.000 0.800 277 G HN 0.746 nan 8.290 nan 0.000 0.523 278 c N -0.780 117.817 118.600 -0.006 0.000 2.974 278 c HA 0.420 4.990 4.570 -0.000 0.000 0.282 278 c C 1.968 176.050 174.090 -0.012 0.000 1.292 278 c CA -0.371 55.927 56.329 -0.050 0.000 1.710 278 c CB -0.574 41.850 42.510 -0.143 0.000 2.036 278 c HN 0.531 nan 8.230 nan 0.000 0.629 279 R N -0.349 120.155 120.500 0.007 0.000 2.637 279 R HA 0.108 4.448 4.340 -0.000 0.000 0.262 279 R C -0.057 176.249 176.300 0.009 0.000 0.959 279 R CA 0.119 56.221 56.100 0.004 0.000 1.061 279 R CB 0.425 30.716 30.300 -0.013 0.000 1.610 279 R HN 0.198 nan 8.270 nan 0.000 0.548 280 E N 1.334 121.542 120.200 0.013 0.000 4.044 280 E HA 0.214 4.564 4.350 -0.000 0.000 0.216 280 E C -2.618 173.985 176.600 0.006 0.000 1.104 280 E CA -1.730 54.669 56.400 -0.000 0.000 1.383 280 E CB 1.402 31.096 29.700 -0.011 0.000 1.195 280 E HN -0.027 nan 8.360 nan 0.000 0.442 281 P HA -0.113 nan 4.420 nan 0.000 0.235 281 P C -0.086 177.174 177.300 -0.067 0.000 1.080 281 P CA 0.549 63.674 63.100 0.042 0.000 1.096 281 P CB -0.002 31.727 31.700 0.048 0.000 1.085 282 E N 2.772 122.937 120.200 -0.057 0.000 2.324 282 E HA 0.098 4.448 4.350 -0.000 0.000 0.271 282 E C -0.128 176.359 176.600 -0.188 0.000 1.028 282 E CA -0.009 56.327 56.400 -0.107 0.000 0.890 282 E CB 0.172 29.836 29.700 -0.061 0.000 1.004 282 E HN 0.350 nan 8.360 nan 0.000 0.431 283 L N 5.561 126.614 121.223 -0.283 0.000 2.423 283 L HA 0.215 4.555 4.340 -0.000 0.000 0.249 283 L C -0.500 176.223 176.870 -0.245 0.000 1.276 283 L CA -0.307 54.272 54.840 -0.435 0.000 1.199 283 L CB -0.669 40.973 42.059 -0.695 0.000 1.407 283 L HN 0.556 nan 8.230 nan 0.000 0.410 284 D N -2.743 117.590 120.400 -0.112 0.000 2.497 284 D HA 0.297 4.937 4.640 -0.000 0.000 0.243 284 D C 1.279 177.637 176.300 0.098 0.000 1.039 284 D CA -0.272 53.738 54.000 0.017 0.000 1.052 284 D CB 0.714 41.514 40.800 -0.001 0.000 1.344 284 D HN 0.102 nan 8.370 nan 0.000 0.553 285 T N -2.574 112.064 114.554 0.139 0.000 2.665 285 T HA -0.300 4.050 4.350 -0.000 0.000 0.268 285 T C 1.512 176.312 174.700 0.167 0.000 1.035 285 T CA 1.760 63.975 62.100 0.192 0.000 1.151 285 T CB -0.668 68.209 68.868 0.015 0.000 0.862 285 T HN 0.618 nan 8.240 nan 0.000 0.438 286 E N 0.926 121.179 120.200 0.088 0.000 2.023 286 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 286 E C 2.346 178.995 176.600 0.082 0.000 1.003 286 E CA 1.915 58.362 56.400 0.078 0.000 0.809 286 E CB -0.510 29.218 29.700 0.046 0.000 0.755 286 E HN 0.585 nan 8.360 nan 0.000 0.449 287 T N 1.231 115.815 114.554 0.049 0.000 2.684 287 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 287 T C 1.829 176.533 174.700 0.007 0.000 1.036 287 T CA 1.242 63.360 62.100 0.031 0.000 1.148 287 T CB -0.234 68.616 68.868 -0.030 0.000 0.863 287 T HN 0.069 nan 8.240 nan 0.000 0.436 288 L N 0.688 121.896 121.223 -0.025 0.000 2.093 288 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 288 L C 2.795 179.717 176.870 0.088 0.000 1.085 288 L CA 1.581 56.336 54.840 -0.143 0.000 0.755 288 L CB -1.044 40.711 42.059 -0.507 0.000 0.904 288 L HN 0.238 nan 8.230 nan 0.000 0.435 289 T N -1.343 113.383 114.554 0.286 0.000 2.652 289 T HA -0.224 4.126 4.350 -0.000 0.000 0.267 289 T C 1.879 176.737 174.700 0.264 0.000 1.039 289 T CA 2.124 64.439 62.100 0.357 0.000 1.153 289 T CB -0.546 68.485 68.868 0.271 0.000 0.863 289 T HN 0.620 nan 8.240 nan 0.000 0.428 290 T N 1.274 115.923 114.554 0.159 0.000 2.737 290 T HA -0.199 4.151 4.350 -0.000 0.000 0.269 290 T C 2.009 176.788 174.700 0.131 0.000 1.040 290 T CA 1.478 63.639 62.100 0.100 0.000 1.142 290 T CB -0.698 68.208 68.868 0.062 0.000 0.861 290 T HN 0.290 nan 8.240 nan 0.000 0.456 291 M N 0.159 119.834 119.600 0.126 0.000 2.082 291 M HA 0.025 4.505 4.480 -0.000 0.000 0.258 291 M C 2.158 178.554 176.300 0.160 0.000 1.071 291 M CA 2.238 57.596 55.300 0.098 0.000 1.103 291 M CB -0.707 31.814 32.600 -0.132 0.000 1.307 291 M HN 0.288 nan 8.290 nan 0.000 0.409 292 F N 1.480 121.390 119.950 -0.067 0.000 2.120 292 F HA -0.223 4.304 4.527 -0.000 0.000 0.300 292 F C 2.154 178.098 175.800 0.240 0.000 1.095 292 F CA 1.845 59.911 58.000 0.112 0.000 1.249 292 F CB -0.430 38.650 39.000 0.132 0.000 0.995 292 F HN 0.202 nan 8.300 nan 0.000 0.480 293 E N -0.429 119.832 120.200 0.101 0.000 2.150 293 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 293 E C 2.382 179.039 176.600 0.095 0.000 0.985 293 E CA 1.291 57.730 56.400 0.064 0.000 0.814 293 E CB -0.393 29.377 29.700 0.118 0.000 0.752 293 E HN 0.328 nan 8.360 nan 0.000 0.466 294 V N 1.774 121.765 119.914 0.127 0.000 2.407 294 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 294 V C 2.544 178.818 176.094 0.299 0.000 1.055 294 V CA 2.163 64.577 62.300 0.190 0.000 1.049 294 V CB -0.471 31.481 31.823 0.216 0.000 0.662 294 V HN 0.363 nan 8.190 nan 0.000 0.455 295 S N -0.748 115.100 115.700 0.247 0.000 2.414 295 S HA -0.082 4.388 4.470 -0.000 0.000 0.227 295 S C 1.890 176.632 174.600 0.237 0.000 1.022 295 S CA 1.163 59.498 58.200 0.227 0.000 0.958 295 S CB -0.188 63.128 63.200 0.195 0.000 0.797 295 S HN 0.318 nan 8.310 nan 0.000 0.493 296 V N 2.533 122.501 119.914 0.090 0.000 2.515 296 V HA -0.077 4.043 4.120 -0.000 0.000 0.250 296 V C 3.089 179.371 176.094 0.314 0.000 1.058 296 V CA 1.504 63.871 62.300 0.113 0.000 1.064 296 V CB -1.466 30.240 31.823 -0.194 0.000 0.675 296 V HN 0.646 nan 8.190 nan 0.000 0.461 297 A N -0.444 122.635 122.820 0.430 0.000 1.902 297 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 297 A C 2.030 179.700 177.584 0.143 0.000 1.181 297 A CA 1.786 54.045 52.037 0.370 0.000 0.623 297 A CB -0.655 18.451 19.000 0.177 0.000 0.818 297 A HN 0.469 nan 8.150 nan 0.000 0.443 298 F N -1.735 118.279 119.950 0.106 0.000 2.206 298 F HA -0.011 4.516 4.527 -0.000 0.000 0.298 298 F C 1.955 177.831 175.800 0.127 0.000 1.090 298 F CA 1.269 59.297 58.000 0.047 0.000 1.323 298 F CB -0.464 38.553 39.000 0.028 0.000 1.028 298 F HN 0.364 nan 8.300 nan 0.000 0.492 299 F N 1.188 121.282 119.950 0.239 0.000 2.134 299 F HA -0.164 4.363 4.527 -0.000 0.000 0.299 299 F C 2.288 178.220 175.800 0.221 0.000 1.097 299 F CA 1.511 59.645 58.000 0.222 0.000 1.264 299 F CB -0.550 38.565 39.000 0.191 0.000 1.001 299 F HN -0.284 nan 8.300 nan 0.000 0.479 300 K N 0.546 120.908 120.400 -0.063 0.000 2.020 300 K HA -0.165 4.155 4.320 -0.000 0.000 0.212 300 K C 2.220 178.788 176.600 -0.054 0.000 1.050 300 K CA 1.805 57.997 56.287 -0.158 0.000 0.929 300 K CB -1.049 31.416 32.500 -0.057 0.000 0.714 300 K HN 0.279 nan 8.250 nan 0.000 0.443 301 V N 0.391 120.296 119.914 -0.015 0.000 2.332 301 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 301 V C 2.471 178.625 176.094 0.100 0.000 1.055 301 V CA 2.221 64.528 62.300 0.011 0.000 1.038 301 V CB -1.004 30.683 31.823 -0.227 0.000 0.651 301 V HN 0.464 nan 8.190 nan 0.000 0.450 302 G N -1.591 107.295 108.800 0.143 0.000 2.408 302 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 302 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 302 G C 1.552 176.572 174.900 0.199 0.000 1.150 302 G CA 0.807 46.112 45.100 0.341 0.000 0.776 302 G HN 0.608 nan 8.290 nan 0.000 0.542 303 H N 0.728 119.717 119.070 -0.136 0.000 2.524 303 H HA 0.167 4.723 4.556 -0.000 0.000 0.282 303 H C 2.581 177.851 175.328 -0.096 0.000 1.016 303 H CA 0.859 56.770 56.048 -0.228 0.000 1.270 303 H CB 0.240 29.609 29.762 -0.655 0.000 1.394 303 H HN 0.347 nan 8.280 nan 0.000 0.568 304 A N 0.275 123.080 122.820 -0.024 0.000 1.840 304 A HA -0.068 4.252 4.320 -0.000 0.000 0.214 304 A C 2.592 180.150 177.584 -0.043 0.000 1.198 304 A CA 1.168 53.191 52.037 -0.023 0.000 0.608 304 A CB -0.789 18.291 19.000 0.135 0.000 0.839 304 A HN 0.247 nan 8.150 nan 0.000 0.443 305 V N 0.335 120.285 119.914 0.060 0.000 2.867 305 V HA -0.134 3.986 4.120 -0.000 0.000 0.260 305 V C 2.560 178.643 176.094 -0.019 0.000 1.099 305 V CA 1.596 63.933 62.300 0.061 0.000 1.122 305 V CB -1.345 30.581 31.823 0.173 0.000 0.708 305 V HN 0.616 nan 8.190 nan 0.000 0.490 306 G N -0.394 108.359 108.800 -0.079 0.000 2.404 306 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.213 306 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.213 306 G C 1.422 176.216 174.900 -0.177 0.000 1.189 306 G CA 0.320 45.334 45.100 -0.143 0.000 0.796 306 G HN 0.445 nan 8.290 nan 0.000 0.532 307 E N 0.881 120.924 120.200 -0.261 0.000 2.114 307 E HA -0.136 4.214 4.350 -0.000 0.000 0.199 307 E C 1.961 178.477 176.600 -0.141 0.000 1.008 307 E CA 1.561 57.826 56.400 -0.225 0.000 0.810 307 E CB -0.775 28.777 29.700 -0.246 0.000 0.739 307 E HN 0.523 nan 8.360 nan 0.000 0.456 308 T N -0.504 113.976 114.554 -0.125 0.000 3.783 308 T HA 0.431 4.781 4.350 -0.000 0.000 0.262 308 T C 0.553 175.209 174.700 -0.072 0.000 1.381 308 T CA -0.161 61.881 62.100 -0.096 0.000 1.155 308 T CB 0.025 68.831 68.868 -0.103 0.000 1.256 308 T HN 0.052 nan 8.240 nan 0.000 0.807 309 G N 1.545 110.303 108.800 -0.070 0.000 2.398 309 G HA2 0.275 4.235 3.960 -0.000 0.000 0.246 309 G HA3 0.275 4.235 3.960 -0.000 0.000 0.246 309 G C 0.617 175.491 174.900 -0.043 0.000 1.289 309 G CA -0.694 44.374 45.100 -0.054 0.000 0.869 309 G HN 0.590 nan 8.290 nan 0.000 0.543 310 N N -0.050 118.630 118.700 -0.034 0.000 2.714 310 N HA -0.170 4.570 4.740 -0.000 0.000 0.250 310 N C 0.914 176.407 175.510 -0.029 0.000 1.117 310 N CA 1.302 54.335 53.050 -0.028 0.000 0.719 310 N CB -1.116 37.355 38.487 -0.025 0.000 1.081 310 N HN 0.888 nan 8.380 nan 0.000 0.557 311 G N -0.975 107.804 108.800 -0.034 0.000 2.890 311 G HA2 0.614 4.574 3.960 -0.000 0.000 0.189 311 G HA3 0.614 4.574 3.960 -0.000 0.000 0.189 311 G C -0.731 174.151 174.900 -0.029 0.000 1.342 311 G CA 0.132 45.210 45.100 -0.037 0.000 1.026 311 G HN 0.391 nan 8.290 nan 0.000 0.579 312 c N 0.322 118.902 118.600 -0.033 0.000 2.716 312 c HA 0.558 5.128 4.570 -0.000 0.000 0.366 312 c C -0.370 173.707 174.090 -0.022 0.000 1.073 312 c CA -0.754 55.564 56.329 -0.019 0.000 1.260 312 c CB 0.299 42.801 42.510 -0.013 0.000 1.755 312 c HN 0.789 nan 8.230 nan 0.000 0.475 313 V N 2.775 122.693 119.914 0.006 0.000 2.432 313 V HA 0.462 4.582 4.120 -0.000 0.000 0.275 313 V C 0.164 176.309 176.094 0.085 0.000 1.043 313 V CA -0.168 62.149 62.300 0.028 0.000 0.925 313 V CB 1.308 33.199 31.823 0.113 0.000 0.985 313 V HN 0.868 nan 8.190 nan 0.000 0.466 314 D N 2.991 123.447 120.400 0.094 0.000 2.455 314 D HA 0.028 4.668 4.640 -0.000 0.000 0.241 314 D C 0.760 177.186 176.300 0.209 0.000 1.138 314 D CA -0.131 53.945 54.000 0.127 0.000 0.877 314 D CB 1.290 42.160 40.800 0.116 0.000 1.187 314 D HN 0.597 nan 8.370 nan 0.000 0.451 315 L N 4.449 125.774 121.223 0.169 0.000 2.191 315 L HA -0.098 4.242 4.340 -0.000 0.000 0.212 315 L C 2.053 179.116 176.870 0.321 0.000 1.103 315 L CA 1.631 56.595 54.840 0.206 0.000 0.769 315 L CB -0.279 41.898 42.059 0.198 0.000 0.908 315 L HN 0.477 nan 8.230 nan 0.000 0.438 316 R N -1.528 119.161 120.500 0.315 0.000 2.092 316 R HA -0.220 4.120 4.340 -0.000 0.000 0.231 316 R C 2.171 178.650 176.300 0.298 0.000 1.119 316 R CA 1.693 58.005 56.100 0.353 0.000 0.970 316 R CB -0.799 29.546 30.300 0.075 0.000 0.864 316 R HN 0.602 nan 8.270 nan 0.000 0.440 317 W N 2.204 123.580 121.300 0.126 0.000 2.355 317 W HA -0.179 4.481 4.660 -0.000 0.000 0.309 317 W C 1.457 178.070 176.519 0.156 0.000 1.206 317 W CA 1.397 58.812 57.345 0.116 0.000 1.284 317 W CB -0.219 29.292 29.460 0.086 0.000 1.145 317 W HN 0.050 nan 8.180 nan 0.000 0.502 318 L N 1.216 122.557 121.223 0.196 0.000 2.005 318 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 318 L C 2.923 179.847 176.870 0.090 0.000 1.072 318 L CA 1.538 56.472 54.840 0.156 0.000 0.744 318 L CB -1.740 40.392 42.059 0.122 0.000 0.895 318 L HN -0.079 nan 8.230 nan 0.000 0.433 319 A N -0.109 122.752 122.820 0.068 0.000 2.042 319 A HA -0.269 4.051 4.320 -0.000 0.000 0.222 319 A C 2.437 180.032 177.584 0.018 0.000 1.167 319 A CA 2.208 54.246 52.037 0.003 0.000 0.649 319 A CB -0.445 18.497 19.000 -0.096 0.000 0.809 319 A HN 0.418 nan 8.150 nan 0.000 0.457 320 K N -1.253 119.141 120.400 -0.010 0.000 2.121 320 K HA 0.035 4.355 4.320 -0.000 0.000 0.203 320 K C 2.247 178.793 176.600 -0.090 0.000 1.041 320 K CA 0.989 57.252 56.287 -0.039 0.000 0.969 320 K CB -0.037 32.406 32.500 -0.096 0.000 0.799 320 K HN 0.389 nan 8.250 nan 0.000 0.456 321 S N 0.764 116.259 115.700 -0.342 0.000 2.348 321 S HA -0.083 4.387 4.470 -0.000 0.000 0.221 321 S C 1.630 176.092 174.600 -0.229 0.000 1.033 321 S CA 1.312 59.259 58.200 -0.422 0.000 1.010 321 S CB -0.366 62.392 63.200 -0.736 0.000 0.891 321 S HN 0.262 nan 8.310 nan 0.000 0.442 322 F N 0.662 120.502 119.950 -0.184 0.000 2.408 322 F HA -0.014 4.513 4.527 -0.000 0.000 0.300 322 F C 1.806 177.546 175.800 -0.100 0.000 1.090 322 F CA 0.623 58.548 58.000 -0.125 0.000 1.427 322 F CB -0.268 38.694 39.000 -0.062 0.000 1.070 322 F HN 0.216 nan 8.300 nan 0.000 0.549 323 F N 1.246 121.167 119.950 -0.050 0.000 2.098 323 F HA -0.129 4.398 4.527 -0.000 0.000 0.294 323 F C 2.302 178.003 175.800 -0.165 0.000 1.107 323 F CA 1.461 59.397 58.000 -0.108 0.000 1.234 323 F CB -0.543 38.391 39.000 -0.112 0.000 1.002 323 F HN -0.194 nan 8.300 nan 0.000 0.472 324 E N 0.857 120.848 120.200 -0.348 0.000 2.209 324 E HA -0.202 4.148 4.350 -0.000 0.000 0.196 324 E C 2.404 178.728 176.600 -0.460 0.000 0.993 324 E CA 1.261 57.404 56.400 -0.428 0.000 0.819 324 E CB -0.550 29.029 29.700 -0.203 0.000 0.745 324 E HN 0.501 nan 8.360 nan 0.000 0.477 325 L N 0.279 121.217 121.223 -0.475 0.000 2.095 325 L HA -0.098 4.242 4.340 -0.000 0.000 0.204 325 L C 2.474 179.154 176.870 -0.316 0.000 1.080 325 L CA 1.187 55.677 54.840 -0.583 0.000 0.759 325 L CB -0.516 41.069 42.059 -0.789 0.000 0.914 325 L HN 0.078 nan 8.230 nan 0.000 0.439 326 T N -0.578 113.808 114.554 -0.280 0.000 2.708 326 T HA -0.220 4.130 4.350 -0.000 0.000 0.266 326 T C 1.885 176.400 174.700 -0.309 0.000 1.037 326 T CA 1.604 63.583 62.100 -0.202 0.000 1.146 326 T CB -0.366 68.395 68.868 -0.178 0.000 0.865 326 T HN 0.172 nan 8.240 nan 0.000 0.435 327 V N 1.228 120.797 119.914 -0.575 0.000 2.407 327 V HA -0.081 4.039 4.120 -0.000 0.000 0.248 327 V C 2.246 178.181 176.094 -0.265 0.000 1.055 327 V CA 1.462 63.407 62.300 -0.592 0.000 1.049 327 V CB -0.494 30.810 31.823 -0.866 0.000 0.662 327 V HN 0.381 nan 8.190 nan 0.000 0.455 328 L N 0.797 121.888 121.223 -0.219 0.000 2.027 328 L HA -0.135 4.205 4.340 -0.000 0.000 0.206 328 L C 2.537 179.431 176.870 0.040 0.000 1.074 328 L CA 2.683 57.481 54.840 -0.070 0.000 0.745 328 L CB -0.978 41.038 42.059 -0.072 0.000 0.898 328 L HN 0.401 nan 8.230 nan 0.000 0.433 329 K N -0.728 119.734 120.400 0.104 0.000 2.113 329 K HA -0.226 4.094 4.320 -0.000 0.000 0.208 329 K C 1.659 178.274 176.600 0.024 0.000 1.047 329 K CA 1.910 58.274 56.287 0.128 0.000 0.928 329 K CB -0.233 32.363 32.500 0.160 0.000 0.716 329 K HN 0.456 nan 8.250 nan 0.000 0.446 330 D N 0.935 121.319 120.400 -0.027 0.000 2.084 330 D HA -0.182 4.458 4.640 -0.000 0.000 0.196 330 D C 1.970 178.242 176.300 -0.045 0.000 0.985 330 D CA 1.192 55.167 54.000 -0.042 0.000 0.826 330 D CB -0.214 40.547 40.800 -0.065 0.000 0.978 330 D HN 0.327 nan 8.370 nan 0.000 0.456 331 I N 0.935 121.476 120.570 -0.048 0.000 2.286 331 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 331 I C 2.174 178.227 176.117 -0.106 0.000 1.115 331 I CA 0.907 62.161 61.300 -0.076 0.000 1.392 331 I CB 0.037 37.997 38.000 -0.066 0.000 1.065 331 I HN -0.096 nan 8.210 nan 0.000 0.418 332 I N 0.689 121.230 120.570 -0.047 0.000 2.361 332 I HA -0.208 3.962 4.170 -0.000 0.000 0.251 332 I C 2.438 178.548 176.117 -0.011 0.000 1.133 332 I CA 1.474 62.768 61.300 -0.011 0.000 1.413 332 I CB -0.735 37.308 38.000 0.073 0.000 1.073 332 I HN 0.338 nan 8.210 nan 0.000 0.424 333 G N 0.683 109.472 108.800 -0.020 0.000 2.411 333 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.213 333 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.213 333 G C 1.664 176.539 174.900 -0.040 0.000 1.166 333 G CA 0.126 45.220 45.100 -0.010 0.000 0.802 333 G HN 0.265 nan 8.290 nan 0.000 0.533 334 I N 0.234 120.759 120.570 -0.074 0.000 2.286 334 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 334 I C 2.836 178.878 176.117 -0.125 0.000 1.115 334 I CA 0.584 61.830 61.300 -0.090 0.000 1.392 334 I CB -0.296 37.644 38.000 -0.099 0.000 1.065 334 I HN 0.319 nan 8.210 nan 0.000 0.418 335 c N 0.116 118.586 118.600 -0.216 0.000 2.675 335 c HA -0.072 4.498 4.570 -0.000 0.000 0.285 335 c C 1.094 175.033 174.090 -0.252 0.000 1.282 335 c CA 0.193 56.300 56.329 -0.370 0.000 1.708 335 c CB -0.552 41.510 42.510 -0.746 0.000 2.134 335 c HN 0.269 nan 8.230 nan 0.000 0.494 336 Y N -0.106 120.198 120.300 0.006 0.000 2.419 336 Y HA 0.471 5.021 4.550 -0.000 0.000 0.328 336 Y C 1.129 177.036 175.900 0.012 0.000 1.162 336 Y CA -0.656 57.455 58.100 0.018 0.000 1.174 336 Y CB 0.239 38.726 38.460 0.045 0.000 1.228 336 Y HN 0.292 nan 8.280 nan 0.000 0.473 337 G N 0.751 109.659 108.800 0.181 0.000 3.356 337 G HA2 0.354 4.314 3.960 -0.000 0.000 0.239 337 G HA3 0.354 4.314 3.960 -0.000 0.000 0.239 337 G C 0.173 175.125 174.900 0.087 0.000 1.252 337 G CA 0.066 45.222 45.100 0.092 0.000 1.611 337 G HN 0.749 nan 8.290 nan 0.000 0.580 338 A N 0.394 123.289 122.820 0.125 0.000 2.340 338 A HA 0.763 5.083 4.320 -0.000 0.000 0.268 338 A C 0.480 178.089 177.584 0.042 0.000 1.100 338 A CA -0.115 51.980 52.037 0.096 0.000 0.803 338 A CB 0.822 19.921 19.000 0.165 0.000 1.043 338 A HN 0.281 nan 8.150 nan 0.000 0.488 339 T N 0.269 114.831 114.554 0.014 0.000 2.916 339 T HA 0.643 4.993 4.350 -0.000 0.000 0.292 339 T C -0.764 173.915 174.700 -0.036 0.000 1.055 339 T CA -0.512 61.587 62.100 -0.002 0.000 1.009 339 T CB 1.638 70.514 68.868 0.013 0.000 1.118 339 T HN 0.602 nan 8.240 nan 0.000 0.497 340 V N 2.095 121.963 119.914 -0.076 0.000 2.686 340 V HA 0.748 4.868 4.120 -0.000 0.000 0.306 340 V C -0.758 175.249 176.094 -0.145 0.000 1.065 340 V CA -1.009 61.182 62.300 -0.181 0.000 0.894 340 V CB 1.837 33.455 31.823 -0.343 0.000 1.004 340 V HN 1.017 nan 8.190 nan 0.000 0.424 341 K N 2.174 122.438 120.400 -0.227 0.000 2.557 341 K HA 0.742 5.062 4.320 -0.000 0.000 0.261 341 K C -0.049 176.437 176.600 -0.191 0.000 0.932 341 K CA -0.206 55.964 56.287 -0.194 0.000 0.829 341 K CB 2.206 34.489 32.500 -0.362 0.000 1.358 341 K HN 1.502 nan 8.250 nan 0.000 0.430 342 G N 2.161 111.047 108.800 0.143 0.000 2.327 342 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.159 342 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.159 342 G C -0.040 174.809 174.900 -0.085 0.000 1.056 342 G CA 0.101 45.297 45.100 0.159 0.000 0.751 342 G HN 0.505 nan 8.290 nan 0.000 0.488 343 M N -1.463 118.161 119.600 0.040 0.000 4.364 343 M HA 0.079 4.559 4.480 -0.000 0.000 0.583 343 M C 1.361 177.818 176.300 0.261 0.000 1.913 343 M CA 0.123 55.477 55.300 0.089 0.000 0.635 343 M CB 0.336 32.989 32.600 0.088 0.000 1.726 343 M HN 0.175 nan 8.290 nan 0.000 0.652 344 Q N 0.766 120.689 119.800 0.204 0.000 2.212 344 Q HA 0.179 4.519 4.340 -0.000 0.000 0.199 344 Q C 0.697 176.777 176.000 0.133 0.000 0.950 344 Q CA 0.791 56.721 55.803 0.212 0.000 0.863 344 Q CB 0.190 29.020 28.738 0.154 0.000 0.944 344 Q HN 0.447 nan 8.270 nan 0.000 0.465 345 S N 0.083 115.824 115.700 0.067 0.000 3.310 345 S HA -0.217 4.253 4.470 -0.000 0.000 0.431 345 S C 0.622 175.139 174.600 -0.138 0.000 0.807 345 S CA 0.388 58.539 58.200 -0.082 0.000 1.358 345 S CB -1.199 61.916 63.200 -0.141 0.000 1.027 345 S HN 0.555 nan 8.310 nan 0.000 0.666 346 Y N 2.316 122.567 120.300 -0.081 0.000 2.365 346 Y HA 0.089 4.639 4.550 -0.000 0.000 0.287 346 Y C 1.886 177.733 175.900 -0.089 0.000 1.162 346 Y CA 1.269 59.320 58.100 -0.081 0.000 1.260 346 Y CB -1.012 37.392 38.460 -0.094 0.000 0.976 346 Y HN 0.502 nan 8.280 nan 0.000 0.548 347 G N 1.595 109.999 108.800 -0.660 0.000 2.434 347 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.214 347 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.214 347 G C 1.462 176.213 174.900 -0.249 0.000 1.202 347 G CA 1.043 45.862 45.100 -0.468 0.000 0.788 347 G HN 0.460 nan 8.290 nan 0.000 0.539 348 L N 0.937 121.996 121.223 -0.274 0.000 2.129 348 L HA -0.093 4.247 4.340 -0.000 0.000 0.212 348 L C 2.575 179.342 176.870 -0.171 0.000 1.087 348 L CA 2.178 56.867 54.840 -0.251 0.000 0.757 348 L CB -0.493 41.312 42.059 -0.424 0.000 0.896 348 L HN 0.419 nan 8.230 nan 0.000 0.434 349 E N -0.859 119.266 120.200 -0.126 0.000 2.046 349 E HA -0.199 4.151 4.350 -0.000 0.000 0.190 349 E C 2.338 178.916 176.600 -0.036 0.000 0.982 349 E CA 0.972 57.339 56.400 -0.055 0.000 0.800 349 E CB -0.166 29.532 29.700 -0.002 0.000 0.756 349 E HN 0.481 nan 8.360 nan 0.000 0.449 350 R N 0.525 121.009 120.500 -0.025 0.000 2.081 350 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 350 R C 2.477 178.759 176.300 -0.031 0.000 1.131 350 R CA 0.779 56.872 56.100 -0.012 0.000 0.960 350 R CB -0.257 30.052 30.300 0.015 0.000 0.856 350 R HN 0.099 nan 8.270 nan 0.000 0.436 351 L N 0.392 121.583 121.223 -0.054 0.000 1.994 351 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 351 L C 2.241 179.087 176.870 -0.040 0.000 1.071 351 L CA 2.168 56.980 54.840 -0.047 0.000 0.745 351 L CB -0.616 41.404 42.059 -0.065 0.000 0.892 351 L HN 0.141 nan 8.230 nan 0.000 0.431 352 A N -0.435 122.349 122.820 -0.059 0.000 1.908 352 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 352 A C 2.451 180.006 177.584 -0.047 0.000 1.181 352 A CA 2.092 54.090 52.037 -0.065 0.000 0.627 352 A CB -1.315 17.637 19.000 -0.081 0.000 0.818 352 A HN 0.628 nan 8.150 nan 0.000 0.445 353 A N -0.466 122.333 122.820 -0.035 0.000 1.865 353 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 353 A C 2.306 179.878 177.584 -0.021 0.000 1.191 353 A CA 2.004 54.024 52.037 -0.028 0.000 0.623 353 A CB -0.600 18.383 19.000 -0.028 0.000 0.826 353 A HN 0.541 nan 8.150 nan 0.000 0.444 354 M N -1.072 118.519 119.600 -0.014 0.000 2.086 354 M HA -0.116 4.364 4.480 -0.000 0.000 0.261 354 M C 2.354 178.655 176.300 0.002 0.000 1.067 354 M CA 1.678 56.977 55.300 -0.002 0.000 1.116 354 M CB -0.533 32.070 32.600 0.006 0.000 1.348 354 M HN 0.537 nan 8.290 nan 0.000 0.407 355 L N 0.292 121.515 121.223 -0.001 0.000 2.013 355 L HA -0.283 4.057 4.340 -0.000 0.000 0.212 355 L C 2.586 179.458 176.870 0.004 0.000 1.073 355 L CA 1.401 56.246 54.840 0.008 0.000 0.753 355 L CB -0.179 41.884 42.059 0.007 0.000 0.890 355 L HN 0.306 nan 8.230 nan 0.000 0.432 356 M N -0.431 119.160 119.600 -0.015 0.000 2.108 356 M HA -0.166 4.314 4.480 -0.000 0.000 0.261 356 M C 2.447 178.748 176.300 0.002 0.000 1.066 356 M CA 1.821 57.113 55.300 -0.013 0.000 1.107 356 M CB -1.627 30.958 32.600 -0.025 0.000 1.356 356 M HN 0.438 nan 8.290 nan 0.000 0.406 357 A N -0.095 122.726 122.820 0.001 0.000 2.186 357 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 357 A C 1.494 179.087 177.584 0.014 0.000 1.159 357 A CA 1.779 53.821 52.037 0.008 0.000 0.680 357 A CB -1.098 17.905 19.000 0.005 0.000 0.787 357 A HN 0.596 nan 8.150 nan 0.000 0.467 358 T N -2.687 111.876 114.554 0.016 0.000 3.255 358 T HA 0.540 4.890 4.350 -0.000 0.000 0.243 358 T C -0.524 174.191 174.700 0.025 0.000 1.057 358 T CA -0.214 61.898 62.100 0.020 0.000 1.121 358 T CB -0.133 68.748 68.868 0.021 0.000 1.104 358 T HN 0.507 nan 8.240 nan 0.000 0.571 359 V N 0.342 120.271 119.914 0.026 0.000 3.048 359 V HA 0.575 4.695 4.120 -0.000 0.000 0.303 359 V C -1.276 174.837 176.094 0.032 0.000 1.214 359 V CA -1.100 61.219 62.300 0.031 0.000 0.984 359 V CB 2.380 34.223 31.823 0.034 0.000 1.054 359 V HN 0.374 nan 8.190 nan 0.000 0.430 360 K N 5.488 125.911 120.400 0.037 0.000 2.021 360 K HA 0.209 4.529 4.320 -0.000 0.000 0.238 360 K C 1.160 177.786 176.600 0.044 0.000 1.149 360 K CA 0.178 56.490 56.287 0.042 0.000 1.105 360 K CB -0.024 32.505 32.500 0.048 0.000 1.246 360 K HN 0.595 nan 8.250 nan 0.000 0.307 361 M N 0.488 120.111 119.600 0.039 0.000 2.080 361 M HA -0.167 4.313 4.480 -0.000 0.000 0.260 361 M C 1.445 177.769 176.300 0.039 0.000 1.068 361 M CA 1.619 56.941 55.300 0.036 0.000 1.109 361 M CB -0.545 32.076 32.600 0.036 0.000 1.342 361 M HN 0.612 nan 8.290 nan 0.000 0.405 362 E N 0.139 120.367 120.200 0.046 0.000 2.510 362 E HA -0.170 4.180 4.350 -0.000 0.000 0.202 362 E C 0.964 177.599 176.600 0.058 0.000 1.072 362 E CA 0.553 56.983 56.400 0.050 0.000 0.883 362 E CB 0.165 29.898 29.700 0.056 0.000 0.818 362 E HN 0.478 nan 8.360 nan 0.000 0.548 363 E N -0.306 119.934 120.200 0.067 0.000 2.810 363 E HA 0.070 4.420 4.350 -0.000 0.000 0.214 363 E C 1.321 177.962 176.600 0.068 0.000 0.980 363 E CA -0.181 56.291 56.400 0.121 0.000 1.159 363 E CB 0.350 30.148 29.700 0.164 0.000 1.047 363 E HN 0.249 nan 8.360 nan 0.000 0.484 364 L N -0.050 121.185 121.223 0.020 0.000 2.083 364 L HA -0.032 4.308 4.340 -0.000 0.000 0.209 364 L C 2.086 178.943 176.870 -0.022 0.000 1.083 364 L CA 1.697 56.544 54.840 0.013 0.000 0.752 364 L CB -0.168 41.898 42.059 0.011 0.000 0.899 364 L HN 0.311 nan 8.230 nan 0.000 0.433 365 G N -1.688 107.049 108.800 -0.105 0.000 2.448 365 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.219 365 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.219 365 G C 1.164 175.964 174.900 -0.166 0.000 1.127 365 G CA 0.438 45.439 45.100 -0.166 0.000 0.766 365 G HN 0.492 nan 8.290 nan 0.000 0.552 366 H N -0.832 118.249 119.070 0.019 0.000 2.547 366 H HA 0.203 4.759 4.556 -0.000 0.000 0.266 366 H C 0.853 176.189 175.328 0.014 0.000 0.988 366 H CA -0.258 55.798 56.048 0.013 0.000 1.147 366 H CB 0.137 29.905 29.762 0.011 0.000 1.365 366 H HN 0.227 nan 8.280 nan 0.000 0.589 367 L N 1.092 122.371 121.223 0.094 0.000 2.488 367 L HA 0.168 4.508 4.340 -0.000 0.000 0.249 367 L C 1.181 178.081 176.870 0.049 0.000 1.151 367 L CA -0.357 54.524 54.840 0.068 0.000 0.806 367 L CB 0.892 42.983 42.059 0.055 0.000 1.261 367 L HN 0.148 nan 8.230 nan 0.000 0.484 368 T N -2.384 112.195 114.554 0.040 0.000 2.754 368 T HA 0.167 4.517 4.350 -0.000 0.000 0.286 368 T C 1.045 175.762 174.700 0.028 0.000 0.997 368 T CA 0.261 62.380 62.100 0.031 0.000 0.982 368 T CB 0.429 69.311 68.868 0.024 0.000 1.027 368 T HN 0.653 nan 8.240 nan 0.000 0.529 369 T N 0.193 114.761 114.554 0.024 0.000 2.639 369 T HA -0.079 4.271 4.350 -0.000 0.000 0.261 369 T C 1.786 176.499 174.700 0.022 0.000 1.053 369 T CA 1.370 63.482 62.100 0.021 0.000 1.158 369 T CB -0.534 68.346 68.868 0.020 0.000 0.863 369 T HN 0.828 nan 8.240 nan 0.000 0.413 370 E N 0.819 121.032 120.200 0.022 0.000 2.097 370 E HA -0.236 4.114 4.350 -0.000 0.000 0.196 370 E C 2.052 178.678 176.600 0.044 0.000 1.000 370 E CA 1.119 57.533 56.400 0.024 0.000 0.804 370 E CB 0.031 29.736 29.700 0.009 0.000 0.740 370 E HN 0.192 nan 8.360 nan 0.000 0.454 371 K N 0.350 120.775 120.400 0.042 0.000 2.148 371 K HA -0.133 4.187 4.320 -0.000 0.000 0.204 371 K C 2.143 178.802 176.600 0.098 0.000 1.050 371 K CA 0.825 57.158 56.287 0.077 0.000 0.942 371 K CB -0.256 32.276 32.500 0.053 0.000 0.724 371 K HN 0.281 nan 8.250 nan 0.000 0.446 372 Q N 0.958 120.789 119.800 0.052 0.000 2.046 372 Q HA -0.144 4.196 4.340 -0.000 0.000 0.200 372 Q C 1.777 177.777 176.000 0.001 0.000 0.975 372 Q CA 1.440 57.258 55.803 0.025 0.000 0.836 372 Q CB 0.194 28.938 28.738 0.009 0.000 0.896 372 Q HN 0.344 nan 8.270 nan 0.000 0.428 373 E N -0.448 119.753 120.200 0.002 0.000 2.007 373 E HA -0.249 4.101 4.350 -0.000 0.000 0.194 373 E C 1.807 178.375 176.600 -0.053 0.000 0.999 373 E CA 1.327 57.697 56.400 -0.049 0.000 0.811 373 E CB -0.431 29.251 29.700 -0.029 0.000 0.762 373 E HN 0.379 nan 8.360 nan 0.000 0.450 374 Y N 1.583 121.827 120.300 -0.093 0.000 2.173 374 Y HA -0.360 4.190 4.550 -0.000 0.000 0.282 374 Y C 2.083 177.935 175.900 -0.080 0.000 1.192 374 Y CA 1.625 59.676 58.100 -0.082 0.000 1.176 374 Y CB -0.486 37.951 38.460 -0.039 0.000 0.969 374 Y HN 0.054 nan 8.280 nan 0.000 0.519 375 A N -0.078 122.709 122.820 -0.056 0.000 1.828 375 A HA -0.171 4.149 4.320 -0.000 0.000 0.215 375 A C 2.108 179.587 177.584 -0.176 0.000 1.203 375 A CA 1.923 53.889 52.037 -0.118 0.000 0.614 375 A CB -1.300 17.695 19.000 -0.009 0.000 0.844 375 A HN 0.416 nan 8.150 nan 0.000 0.445 376 L N -0.304 120.836 121.223 -0.138 0.000 2.079 376 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 376 L C 2.583 179.302 176.870 -0.252 0.000 1.081 376 L CA 1.912 56.660 54.840 -0.153 0.000 0.752 376 L CB -0.812 41.164 42.059 -0.137 0.000 0.896 376 L HN 0.406 nan 8.230 nan 0.000 0.433 377 R N -0.179 120.104 120.500 -0.362 0.000 2.122 377 R HA -0.234 4.106 4.340 -0.000 0.000 0.236 377 R C 2.268 178.363 176.300 -0.341 0.000 1.129 377 R CA 2.376 58.148 56.100 -0.547 0.000 0.925 377 R CB -0.607 29.407 30.300 -0.476 0.000 0.850 377 R HN 0.428 nan 8.270 nan 0.000 0.431 378 L N -1.491 119.532 121.223 -0.333 0.000 2.275 378 L HA 0.146 4.486 4.340 -0.000 0.000 0.215 378 L C 2.131 178.916 176.870 -0.142 0.000 1.119 378 L CA 1.775 56.466 54.840 -0.249 0.000 0.790 378 L CB -0.463 41.353 42.059 -0.406 0.000 0.919 378 L HN 0.049 nan 8.230 nan 0.000 0.443 379 A N 0.018 122.757 122.820 -0.136 0.000 1.972 379 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 379 A C 2.271 179.875 177.584 0.034 0.000 1.169 379 A CA 2.156 54.167 52.037 -0.044 0.000 0.635 379 A CB -1.133 17.842 19.000 -0.041 0.000 0.810 379 A HN 0.560 nan 8.150 nan 0.000 0.446 380 T N -0.531 114.032 114.554 0.015 0.000 2.851 380 T HA -0.057 4.293 4.350 -0.000 0.000 0.262 380 T C 1.878 176.636 174.700 0.096 0.000 1.043 380 T CA 1.385 63.528 62.100 0.072 0.000 1.140 380 T CB -0.330 68.626 68.868 0.146 0.000 0.872 380 T HN 0.179 nan 8.240 nan 0.000 0.446 381 V N 1.379 121.341 119.914 0.080 0.000 2.407 381 V HA -0.052 4.068 4.120 -0.000 0.000 0.248 381 V C 2.693 178.818 176.094 0.052 0.000 1.055 381 V CA 1.981 64.322 62.300 0.069 0.000 1.049 381 V CB -1.070 30.776 31.823 0.038 0.000 0.662 381 V HN 0.596 nan 8.190 nan 0.000 0.455 382 G N -2.341 106.483 108.800 0.038 0.000 2.986 382 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.213 382 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.213 382 G C 1.273 176.212 174.900 0.065 0.000 1.156 382 G CA 0.211 45.328 45.100 0.028 0.000 0.763 382 G HN 0.489 nan 8.290 nan 0.000 0.547 383 Y N 2.664 122.953 120.300 -0.019 0.000 2.096 383 Y HA -0.196 4.354 4.550 -0.000 0.000 0.278 383 Y C 0.107 176.000 175.900 -0.011 0.000 1.192 383 Y CA 2.315 60.406 58.100 -0.016 0.000 1.143 383 Y CB -0.887 37.564 38.460 -0.015 0.000 0.963 383 Y HN 0.246 nan 8.280 nan 0.000 0.505 384 P HA -0.199 nan 4.420 nan 0.000 0.205 384 P C 1.435 178.733 177.300 -0.004 0.000 1.193 384 P CA 1.940 65.105 63.100 0.109 0.000 0.929 384 P CB -0.088 31.687 31.700 0.126 0.000 0.772 385 K N -0.599 119.809 120.400 0.014 0.000 2.228 385 K HA -0.067 4.253 4.320 -0.000 0.000 0.205 385 K C 0.809 177.391 176.600 -0.031 0.000 1.045 385 K CA 1.265 57.553 56.287 0.001 0.000 0.931 385 K CB -0.506 32.012 32.500 0.030 0.000 0.727 385 K HN 0.227 nan 8.250 nan 0.000 0.458 386 A N -2.422 120.359 122.820 -0.064 0.000 2.601 386 A HA 0.555 4.875 4.320 -0.000 0.000 0.291 386 A C -0.214 177.284 177.584 -0.143 0.000 1.075 386 A CA 0.022 52.011 52.037 -0.080 0.000 0.671 386 A CB 1.372 20.347 19.000 -0.042 0.000 1.277 386 A HN 0.170 nan 8.150 nan 0.000 0.417 387 G N -0.750 107.975 108.800 -0.125 0.000 2.327 387 G HA2 0.065 4.025 3.960 -0.000 0.000 0.159 387 G HA3 0.065 4.025 3.960 -0.000 0.000 0.159 387 G C 0.344 175.117 174.900 -0.212 0.000 1.056 387 G CA 0.235 45.242 45.100 -0.155 0.000 0.751 387 G HN 1.537 nan 8.290 nan 0.000 0.488 388 V N -1.197 118.637 119.914 -0.133 0.000 3.129 388 V HA 0.126 4.246 4.120 -0.000 0.000 0.259 388 V C 1.376 177.364 176.094 -0.175 0.000 1.116 388 V CA 1.615 63.821 62.300 -0.156 0.000 1.127 388 V CB -0.326 31.453 31.823 -0.074 0.000 0.742 388 V HN 0.522 nan 8.190 nan 0.000 0.474 389 Y N -0.642 119.612 120.300 -0.077 0.000 2.768 389 Y HA 0.428 4.978 4.550 -0.000 0.000 0.249 389 Y C 0.911 176.786 175.900 -0.042 0.000 1.146 389 Y CA -0.492 57.578 58.100 -0.049 0.000 1.171 389 Y CB 0.917 39.356 38.460 -0.035 0.000 1.249 389 Y HN 0.105 nan 8.280 nan 0.000 0.567 390 S N -0.357 115.376 115.700 0.055 0.000 2.554 390 S HA 0.482 4.952 4.470 -0.000 0.000 0.278 390 S C 1.071 175.685 174.600 0.024 0.000 1.242 390 S CA -0.136 58.085 58.200 0.035 0.000 1.051 390 S CB 0.884 64.080 63.200 -0.006 0.000 0.986 390 S HN 0.529 nan 8.310 nan 0.000 0.502 391 G N 4.521 113.345 108.800 0.039 0.000 3.263 391 G HA2 0.177 4.137 3.960 -0.000 0.000 0.246 391 G HA3 0.177 4.137 3.960 -0.000 0.000 0.246 391 G C 0.829 175.751 174.900 0.038 0.000 0.982 391 G CA -0.172 44.952 45.100 0.040 0.000 1.897 391 G HN 0.758 nan 8.290 nan 0.000 0.624 392 L N -0.163 121.082 121.223 0.035 0.000 2.005 392 L HA -0.072 4.268 4.340 -0.000 0.000 0.207 392 L C 2.610 179.520 176.870 0.067 0.000 1.072 392 L CA 0.863 55.737 54.840 0.056 0.000 0.744 392 L CB -0.206 41.908 42.059 0.091 0.000 0.895 392 L HN 0.316 nan 8.230 nan 0.000 0.433 393 I N 0.078 120.692 120.570 0.074 0.000 2.335 393 I HA -0.198 3.972 4.170 -0.000 0.000 0.251 393 I C 2.549 178.709 176.117 0.072 0.000 1.129 393 I CA 1.480 62.816 61.300 0.059 0.000 1.402 393 I CB -1.246 36.780 38.000 0.043 0.000 1.069 393 I HN 0.192 nan 8.210 nan 0.000 0.424 394 G N 0.535 109.374 108.800 0.065 0.000 2.421 394 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.216 394 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.216 394 G C 1.855 176.797 174.900 0.070 0.000 1.171 394 G CA 0.826 45.967 45.100 0.069 0.000 0.775 394 G HN 0.504 nan 8.290 nan 0.000 0.543 395 G N 1.084 109.917 108.800 0.056 0.000 2.440 395 G HA2 0.029 3.989 3.960 -0.000 0.000 0.218 395 G HA3 0.029 3.989 3.960 -0.000 0.000 0.218 395 G C 2.038 176.974 174.900 0.061 0.000 1.154 395 G CA 1.512 46.639 45.100 0.045 0.000 0.767 395 G HN 0.681 nan 8.290 nan 0.000 0.552 396 A N 0.089 122.961 122.820 0.087 0.000 2.019 396 A HA 0.025 4.345 4.320 -0.000 0.000 0.219 396 A C 2.496 180.241 177.584 0.268 0.000 1.164 396 A CA 2.365 54.492 52.037 0.150 0.000 0.644 396 A CB -0.604 18.462 19.000 0.110 0.000 0.805 396 A HN 0.320 nan 8.150 nan 0.000 0.449 397 T N -0.645 114.041 114.554 0.220 0.000 2.809 397 T HA -0.054 4.296 4.350 -0.000 0.000 0.260 397 T C 2.282 177.020 174.700 0.062 0.000 1.039 397 T CA 1.385 63.600 62.100 0.191 0.000 1.141 397 T CB -0.295 68.676 68.868 0.173 0.000 0.869 397 T HN 0.450 nan 8.240 nan 0.000 0.437 398 S N 1.003 116.728 115.700 0.042 0.000 2.365 398 S HA -0.124 4.346 4.470 -0.000 0.000 0.225 398 S C 2.246 176.817 174.600 -0.049 0.000 1.039 398 S CA 1.168 59.357 58.200 -0.019 0.000 1.033 398 S CB -0.723 62.459 63.200 -0.030 0.000 0.887 398 S HN 0.314 nan 8.310 nan 0.000 0.447 399 V N 1.821 121.724 119.914 -0.018 0.000 2.343 399 V HA -0.121 3.999 4.120 -0.000 0.000 0.247 399 V C 2.058 178.138 176.094 -0.024 0.000 1.051 399 V CA 1.824 64.110 62.300 -0.023 0.000 1.036 399 V CB -0.396 31.426 31.823 -0.001 0.000 0.654 399 V HN 0.467 nan 8.190 nan 0.000 0.451 400 L N -0.223 120.981 121.223 -0.032 0.000 2.027 400 L HA -0.035 4.305 4.340 -0.000 0.000 0.206 400 L C 2.210 179.054 176.870 -0.044 0.000 1.074 400 L CA 2.380 57.162 54.840 -0.096 0.000 0.745 400 L CB -0.996 40.858 42.059 -0.343 0.000 0.898 400 L HN 0.381 nan 8.230 nan 0.000 0.433 401 L N -0.539 120.669 121.223 -0.026 0.000 2.013 401 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 401 L C 2.530 179.423 176.870 0.039 0.000 1.073 401 L CA 2.272 57.135 54.840 0.038 0.000 0.753 401 L CB -1.041 41.030 42.059 0.020 0.000 0.890 401 L HN 0.380 nan 8.230 nan 0.000 0.432 402 S N -0.347 115.342 115.700 -0.019 0.000 2.359 402 S HA -0.221 4.249 4.470 -0.000 0.000 0.224 402 S C 2.099 176.718 174.600 0.031 0.000 1.035 402 S CA 1.257 59.443 58.200 -0.024 0.000 1.018 402 S CB -0.781 62.380 63.200 -0.065 0.000 0.876 402 S HN 0.702 nan 8.310 nan 0.000 0.448 403 A N 0.970 123.820 122.820 0.051 0.000 1.892 403 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 403 A C 2.015 179.708 177.584 0.181 0.000 1.188 403 A CA 2.042 54.137 52.037 0.097 0.000 0.631 403 A CB -1.110 17.925 19.000 0.058 0.000 0.822 403 A HN 0.573 nan 8.150 nan 0.000 0.447 404 Y N 1.399 121.705 120.300 0.009 0.000 2.114 404 Y HA -0.210 4.340 4.550 -0.000 0.000 0.284 404 Y C 2.122 178.039 175.900 0.027 0.000 1.143 404 Y CA 1.716 59.829 58.100 0.022 0.000 1.135 404 Y CB -1.069 37.391 38.460 0.001 0.000 0.980 404 Y HN 0.497 nan 8.280 nan 0.000 0.499 405 N N -0.266 118.363 118.700 -0.118 0.000 2.137 405 N HA -0.218 4.522 4.740 -0.000 0.000 0.190 405 N C 1.965 177.378 175.510 -0.161 0.000 1.017 405 N CA 0.821 53.728 53.050 -0.238 0.000 0.859 405 N CB -0.255 38.151 38.487 -0.135 0.000 1.002 405 N HN 0.271 nan 8.380 nan 0.000 0.428 406 R N 0.325 120.783 120.500 -0.069 0.000 2.276 406 R HA 0.036 4.376 4.340 -0.000 0.000 0.203 406 R C -0.164 175.955 176.300 -0.301 0.000 1.017 406 R CA 0.700 56.718 56.100 -0.137 0.000 1.010 406 R CB 0.176 30.431 30.300 -0.075 0.000 0.900 406 R HN 0.341 nan 8.270 nan 0.000 0.469 407 H N -1.607 117.452 119.070 -0.018 0.000 2.908 407 H HA 0.295 4.851 4.556 -0.000 0.000 0.350 407 H C -2.353 172.999 175.328 0.041 0.000 1.217 407 H CA -1.750 54.313 56.048 0.024 0.000 1.168 407 H CB 2.239 32.030 29.762 0.049 0.000 1.891 407 H HN -0.107 nan 8.280 nan 0.000 0.566 408 P HA 0.207 nan 4.420 nan 0.000 0.208 408 P C -0.881 176.577 177.300 0.264 0.000 1.863 408 P CA -0.262 62.947 63.100 0.183 0.000 1.037 408 P CB -0.373 31.415 31.700 0.147 0.000 1.881 409 L N 0.360 121.789 121.223 0.343 0.000 3.601 409 L HA -0.230 4.110 4.340 -0.000 0.000 0.469 409 L C -0.267 176.781 176.870 0.296 0.000 1.294 409 L CA 0.753 55.770 54.840 0.295 0.000 0.829 409 L CB -2.633 39.568 42.059 0.236 0.000 1.628 409 L HN 0.328 nan 8.230 nan 0.000 0.868 410 F N -0.325 119.664 119.950 0.064 0.000 2.637 410 F HA 0.369 4.896 4.527 -0.000 0.000 0.316 410 F C -1.121 174.625 175.800 -0.090 0.000 1.023 410 F CA -0.661 57.328 58.000 -0.018 0.000 1.071 410 F CB 0.870 39.862 39.000 -0.013 0.000 1.319 410 F HN 0.007 nan 8.300 nan 0.000 0.541 411 Q N 6.159 125.449 119.800 -0.850 0.000 2.245 411 Q HA 0.459 4.799 4.340 -0.000 0.000 0.256 411 Q C -2.554 172.734 176.000 -1.185 0.000 0.942 411 Q CA -2.105 53.197 55.803 -0.836 0.000 0.896 411 Q CB 1.609 30.106 28.738 -0.402 0.000 1.272 411 Q HN 0.365 nan 8.270 nan 0.000 0.442 412 P HA -0.059 nan 4.420 nan 0.000 0.261 412 P C 0.844 177.900 177.300 -0.407 0.000 1.173 412 P CA 0.326 63.117 63.100 -0.515 0.000 0.760 412 P CB 0.494 32.039 31.700 -0.259 0.000 0.783 413 L N 2.704 123.758 121.223 -0.282 0.000 2.137 413 L HA -0.207 4.133 4.340 -0.000 0.000 0.213 413 L C 0.922 177.485 176.870 -0.512 0.000 1.085 413 L CA 1.570 56.224 54.840 -0.309 0.000 0.760 413 L CB -0.292 41.657 42.059 -0.185 0.000 0.893 413 L HN 0.572 nan 8.230 nan 0.000 0.434 414 H N -1.620 117.426 119.070 -0.041 0.000 2.716 414 H HA 0.193 4.749 4.556 -0.000 0.000 0.230 414 H C -0.283 175.029 175.328 -0.027 0.000 1.401 414 H CA -0.141 55.894 56.048 -0.021 0.000 1.168 414 H CB 0.621 30.382 29.762 -0.000 0.000 1.935 414 H HN -0.027 nan 8.280 nan 0.000 0.538 415 T N -0.526 114.036 114.554 0.013 0.000 2.918 415 T HA 0.145 4.495 4.350 -0.000 0.000 0.283 415 T C 1.520 176.230 174.700 0.016 0.000 1.001 415 T CA -0.244 61.856 62.100 -0.000 0.000 1.041 415 T CB 1.742 70.570 68.868 -0.066 0.000 1.028 415 T HN 0.173 nan 8.240 nan 0.000 0.511 416 V N 4.854 124.780 119.914 0.021 0.000 2.490 416 V HA -0.050 4.070 4.120 -0.000 0.000 0.250 416 V C 2.187 178.287 176.094 0.010 0.000 1.061 416 V CA 2.453 64.767 62.300 0.023 0.000 1.064 416 V CB -0.682 31.156 31.823 0.025 0.000 0.670 416 V HN 0.989 nan 8.190 nan 0.000 0.461 417 M N -0.535 119.064 119.600 -0.002 0.000 2.349 417 M HA -0.073 4.407 4.480 -0.000 0.000 0.266 417 M C 2.180 178.463 176.300 -0.029 0.000 1.076 417 M CA 1.742 57.035 55.300 -0.013 0.000 1.126 417 M CB -0.171 32.426 32.600 -0.006 0.000 1.392 417 M HN 0.332 nan 8.290 nan 0.000 0.440 418 R N 0.592 121.074 120.500 -0.031 0.000 2.083 418 R HA -0.244 4.096 4.340 -0.000 0.000 0.237 418 R C 1.929 178.199 176.300 -0.051 0.000 1.137 418 R CA 2.247 58.338 56.100 -0.016 0.000 0.951 418 R CB -0.358 29.936 30.300 -0.010 0.000 0.851 418 R HN 0.416 nan 8.270 nan 0.000 0.434 419 E N -0.560 119.635 120.200 -0.008 0.000 2.160 419 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 419 E C 1.473 178.073 176.600 -0.000 0.000 0.991 419 E CA 2.199 58.621 56.400 0.036 0.000 0.810 419 E CB -0.249 29.491 29.700 0.066 0.000 0.742 419 E HN 0.421 nan 8.360 nan 0.000 0.466 420 T N 0.516 115.038 114.554 -0.053 0.000 2.643 420 T HA -0.125 4.225 4.350 -0.000 0.000 0.264 420 T C 1.663 176.273 174.700 -0.150 0.000 1.045 420 T CA 1.426 63.475 62.100 -0.086 0.000 1.155 420 T CB -0.360 68.476 68.868 -0.054 0.000 0.863 420 T HN 0.089 nan 8.240 nan 0.000 0.420 421 L N 0.579 121.693 121.223 -0.182 0.000 2.187 421 L HA -0.027 4.313 4.340 -0.000 0.000 0.213 421 L C 2.060 178.594 176.870 -0.560 0.000 1.100 421 L CA 1.323 56.033 54.840 -0.217 0.000 0.765 421 L CB -0.937 41.086 42.059 -0.060 0.000 0.904 421 L HN 0.228 nan 8.230 nan 0.000 0.437 422 F N 0.177 119.465 119.950 -1.103 0.000 2.146 422 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 422 F C 2.249 177.846 175.800 -0.338 0.000 1.096 422 F CA 1.315 58.628 58.000 -1.144 0.000 1.275 422 F CB -0.301 38.251 39.000 -0.747 0.000 1.008 422 F HN -0.024 nan 8.300 nan 0.000 0.480 423 I N 0.314 120.653 120.570 -0.385 0.000 2.286 423 I HA -0.204 3.966 4.170 -0.000 0.000 0.248 423 I C 2.721 178.717 176.117 -0.203 0.000 1.115 423 I CA 1.411 62.531 61.300 -0.300 0.000 1.392 423 I CB -1.360 36.367 38.000 -0.455 0.000 1.065 423 I HN 0.316 nan 8.210 nan 0.000 0.418 424 G N 0.606 109.298 108.800 -0.181 0.000 2.408 424 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 424 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 424 G C 1.815 176.656 174.900 -0.097 0.000 1.150 424 G CA 0.927 45.980 45.100 -0.078 0.000 0.776 424 G HN 0.497 nan 8.290 nan 0.000 0.542 425 S N 0.464 116.091 115.700 -0.123 0.000 2.387 425 S HA -0.261 4.209 4.470 -0.000 0.000 0.230 425 S C 2.083 176.539 174.600 -0.241 0.000 1.035 425 S CA 1.709 59.822 58.200 -0.145 0.000 1.014 425 S CB -0.821 62.418 63.200 0.065 0.000 0.836 425 S HN 0.517 nan 8.310 nan 0.000 0.466 426 H N 0.458 119.431 119.070 -0.161 0.000 2.319 426 H HA -0.015 4.541 4.556 -0.000 0.000 0.299 426 H C 2.492 177.688 175.328 -0.221 0.000 1.092 426 H CA 1.673 57.618 56.048 -0.173 0.000 1.302 426 H CB -0.965 28.707 29.762 -0.150 0.000 1.373 426 H HN 0.402 nan 8.280 nan 0.000 0.497 427 V N 1.188 121.049 119.914 -0.087 0.000 2.913 427 V HA -0.130 3.990 4.120 -0.000 0.000 0.260 427 V C 2.215 178.165 176.094 -0.241 0.000 1.098 427 V CA 0.832 63.009 62.300 -0.206 0.000 1.121 427 V CB -0.410 31.369 31.823 -0.074 0.000 0.714 427 V HN 0.133 nan 8.190 nan 0.000 0.487 428 V N -0.731 119.033 119.914 -0.250 0.000 2.426 428 V HA -0.072 4.048 4.120 -0.000 0.000 0.242 428 V C 2.236 178.187 176.094 -0.238 0.000 1.036 428 V CA 1.540 63.653 62.300 -0.312 0.000 1.044 428 V CB -0.350 31.078 31.823 -0.659 0.000 0.688 428 V HN 0.516 nan 8.190 nan 0.000 0.462 429 L N 0.371 121.469 121.223 -0.209 0.000 1.989 429 L HA -0.162 4.178 4.340 -0.000 0.000 0.211 429 L C 2.618 179.403 176.870 -0.141 0.000 1.071 429 L CA 2.056 56.812 54.840 -0.140 0.000 0.749 429 L CB -0.647 41.354 42.059 -0.097 0.000 0.890 429 L HN 0.147 nan 8.230 nan 0.000 0.431 430 R N -0.826 119.550 120.500 -0.206 0.000 2.103 430 R HA -0.267 4.073 4.340 -0.000 0.000 0.242 430 R C 2.267 178.461 176.300 -0.176 0.000 1.142 430 R CA 1.890 57.833 56.100 -0.262 0.000 0.960 430 R CB -0.230 29.738 30.300 -0.553 0.000 0.858 430 R HN 0.443 nan 8.270 nan 0.000 0.439 431 E N 0.527 120.632 120.200 -0.159 0.000 2.031 431 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 431 E C 1.936 178.561 176.600 0.041 0.000 0.994 431 E CA 1.351 57.758 56.400 0.012 0.000 0.800 431 E CB -0.299 29.410 29.700 0.015 0.000 0.752 431 E HN 0.286 nan 8.360 nan 0.000 0.447 432 L N 0.337 121.567 121.223 0.012 0.000 2.043 432 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 432 L C 2.586 179.477 176.870 0.035 0.000 1.075 432 L CA 1.495 56.382 54.840 0.078 0.000 0.752 432 L CB -0.456 41.606 42.059 0.005 0.000 0.891 432 L HN 0.078 nan 8.230 nan 0.000 0.432 433 R N -0.230 120.247 120.500 -0.038 0.000 2.159 433 R HA -0.070 4.270 4.340 -0.000 0.000 0.237 433 R C 0.752 177.024 176.300 -0.047 0.000 1.131 433 R CA 0.647 56.696 56.100 -0.086 0.000 0.982 433 R CB -0.902 29.346 30.300 -0.088 0.000 0.868 433 R HN 0.179 nan 8.270 nan 0.000 0.453 434 L N 1.729 122.982 121.223 0.049 0.000 2.456 434 L HA -0.027 4.313 4.340 -0.000 0.000 0.246 434 L C 1.517 178.482 176.870 0.157 0.000 1.238 434 L CA 0.678 55.572 54.840 0.090 0.000 0.826 434 L CB 0.176 42.301 42.059 0.110 0.000 1.150 434 L HN 0.235 nan 8.230 nan 0.000 0.514 435 N N -1.211 117.575 118.700 0.143 0.000 2.177 435 N HA 0.037 4.777 4.740 -0.000 0.000 0.218 435 N C -0.761 174.887 175.510 0.230 0.000 1.182 435 N CA -0.009 53.156 53.050 0.192 0.000 0.882 435 N CB 0.433 38.981 38.487 0.102 0.000 1.052 435 N HN 0.217 nan 8.380 nan 0.000 0.519 436 V N 2.428 122.426 119.914 0.140 0.000 2.320 436 V HA 0.172 4.292 4.120 -0.000 0.000 0.265 436 V C 0.583 176.617 176.094 -0.100 0.000 1.048 436 V CA -0.629 61.687 62.300 0.027 0.000 0.865 436 V CB 0.186 31.991 31.823 -0.029 0.000 1.043 436 V HN 0.255 nan 8.190 nan 0.000 0.474 437 T N 1.462 115.951 114.554 -0.109 0.000 3.826 437 T HA 0.105 4.455 4.350 -0.000 0.000 0.239 437 T C 0.412 174.992 174.700 -0.201 0.000 1.007 437 T CA -0.211 61.716 62.100 -0.288 0.000 1.171 437 T CB -1.045 67.773 68.868 -0.084 0.000 1.153 437 T HN 0.617 nan 8.240 nan 0.000 0.854 438 T N 3.699 118.114 114.554 -0.232 0.000 2.779 438 T HA 0.363 4.713 4.350 -0.000 0.000 0.280 438 T C 0.360 174.981 174.700 -0.132 0.000 0.987 438 T CA -0.886 61.113 62.100 -0.169 0.000 0.966 438 T CB 1.258 69.998 68.868 -0.213 0.000 0.933 438 T HN 0.632 nan 8.240 nan 0.000 0.442 439 Q N 0.623 120.379 119.800 -0.074 0.000 2.494 439 Q HA -0.219 4.121 4.340 -0.000 0.000 0.272 439 Q C 1.555 177.535 176.000 -0.033 0.000 1.145 439 Q CA 0.568 56.352 55.803 -0.030 0.000 0.943 439 Q CB -1.966 26.762 28.738 -0.017 0.000 1.338 439 Q HN 1.023 nan 8.270 nan 0.000 0.492 440 G N 1.193 109.955 108.800 -0.063 0.000 2.476 440 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.218 440 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.218 440 G C -0.946 173.966 174.900 0.020 0.000 1.164 440 G CA 1.369 46.440 45.100 -0.048 0.000 0.768 440 G HN 0.363 nan 8.290 nan 0.000 0.560 441 P HA -0.090 nan 4.420 nan 0.000 0.216 441 P C 1.537 178.876 177.300 0.065 0.000 1.153 441 P CA 1.362 64.493 63.100 0.053 0.000 0.848 441 P CB -0.062 31.669 31.700 0.051 0.000 0.787 442 N N -0.859 117.877 118.700 0.060 0.000 2.309 442 N HA -0.120 4.620 4.740 -0.000 0.000 0.182 442 N C 1.544 177.115 175.510 0.101 0.000 1.018 442 N CA 0.675 53.772 53.050 0.078 0.000 0.876 442 N CB -0.702 37.825 38.487 0.067 0.000 0.972 442 N HN 0.034 nan 8.380 nan 0.000 0.434 443 L N -0.543 120.727 121.223 0.079 0.000 2.127 443 L HA 0.216 4.556 4.340 -0.000 0.000 0.203 443 L C 2.100 179.046 176.870 0.126 0.000 1.080 443 L CA 1.106 56.002 54.840 0.092 0.000 0.768 443 L CB -0.542 41.538 42.059 0.034 0.000 0.924 443 L HN 0.124 nan 8.230 nan 0.000 0.444 444 A N 0.211 123.091 122.820 0.100 0.000 1.948 444 A HA -0.272 4.048 4.320 -0.000 0.000 0.220 444 A C 2.195 179.835 177.584 0.094 0.000 1.177 444 A CA 2.103 54.201 52.037 0.101 0.000 0.636 444 A CB -1.017 18.035 19.000 0.085 0.000 0.815 444 A HN 0.539 nan 8.150 nan 0.000 0.449 445 L N -1.542 119.739 121.223 0.097 0.000 1.989 445 L HA -0.190 4.150 4.340 -0.000 0.000 0.211 445 L C 2.269 179.197 176.870 0.098 0.000 1.071 445 L CA 2.580 57.468 54.840 0.079 0.000 0.749 445 L CB -1.085 41.037 42.059 0.106 0.000 0.890 445 L HN 0.504 nan 8.230 nan 0.000 0.431 446 Y N 0.166 120.484 120.300 0.031 0.000 2.139 446 Y HA -0.378 4.172 4.550 -0.000 0.000 0.282 446 Y C 2.627 178.530 175.900 0.005 0.000 1.179 446 Y CA 2.370 60.486 58.100 0.026 0.000 1.161 446 Y CB -0.096 38.383 38.460 0.032 0.000 0.970 446 Y HN 0.434 nan 8.280 nan 0.000 0.511 447 Q N -0.626 119.331 119.800 0.262 0.000 2.050 447 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 447 Q C 2.228 178.247 176.000 0.032 0.000 0.980 447 Q CA 1.638 57.534 55.803 0.154 0.000 0.840 447 Q CB -0.486 28.325 28.738 0.122 0.000 0.898 447 Q HN 0.502 nan 8.270 nan 0.000 0.424 448 L N 1.141 122.360 121.223 -0.006 0.000 1.990 448 L HA -0.223 4.117 4.340 -0.000 0.000 0.213 448 L C 2.081 178.877 176.870 -0.124 0.000 1.072 448 L CA 1.716 56.503 54.840 -0.088 0.000 0.755 448 L CB -0.646 41.302 42.059 -0.185 0.000 0.889 448 L HN 0.189 nan 8.230 nan 0.000 0.432 449 L N -0.717 120.424 121.223 -0.137 0.000 1.970 449 L HA -0.263 4.077 4.340 -0.000 0.000 0.212 449 L C 2.670 179.331 176.870 -0.349 0.000 1.071 449 L CA 1.874 56.540 54.840 -0.291 0.000 0.751 449 L CB -1.202 40.700 42.059 -0.261 0.000 0.889 449 L HN 0.511 nan 8.230 nan 0.000 0.432 450 S N -1.324 114.239 115.700 -0.228 0.000 2.387 450 S HA -0.213 4.257 4.470 -0.000 0.000 0.230 450 S C 1.902 176.417 174.600 -0.142 0.000 1.035 450 S CA 1.857 59.963 58.200 -0.157 0.000 1.014 450 S CB -1.025 62.168 63.200 -0.011 0.000 0.836 450 S HN 0.399 nan 8.310 nan 0.000 0.466 451 T N 2.879 117.361 114.554 -0.121 0.000 2.652 451 T HA -0.007 4.343 4.350 -0.000 0.000 0.267 451 T C 2.266 176.904 174.700 -0.104 0.000 1.039 451 T CA 1.541 63.575 62.100 -0.110 0.000 1.153 451 T CB -0.899 67.912 68.868 -0.094 0.000 0.863 451 T HN 0.635 nan 8.240 nan 0.000 0.428 452 A N 1.086 123.830 122.820 -0.127 0.000 1.908 452 A HA -0.009 4.311 4.320 -0.000 0.000 0.218 452 A C 2.273 179.799 177.584 -0.097 0.000 1.181 452 A CA 1.286 53.269 52.037 -0.091 0.000 0.627 452 A CB -0.930 17.999 19.000 -0.119 0.000 0.818 452 A HN 0.483 nan 8.150 nan 0.000 0.445 453 L N -1.075 120.034 121.223 -0.190 0.000 2.265 453 L HA -0.152 4.188 4.340 -0.000 0.000 0.215 453 L C 1.815 178.657 176.870 -0.046 0.000 1.117 453 L CA 0.522 55.295 54.840 -0.110 0.000 0.782 453 L CB -0.341 41.622 42.059 -0.160 0.000 0.914 453 L HN 0.545 nan 8.230 nan 0.000 0.441 454 c N 1.092 119.650 118.600 -0.069 0.000 2.694 454 c HA 0.185 4.755 4.570 -0.000 0.000 0.455 454 c C 1.642 175.716 174.090 -0.027 0.000 1.293 454 c CA -0.901 55.396 56.329 -0.054 0.000 1.614 454 c CB -2.311 40.156 42.510 -0.071 0.000 2.015 454 c HN 0.458 nan 8.230 nan 0.000 0.608 455 S N 0.930 116.629 115.700 -0.002 0.000 2.624 455 S HA 0.483 4.953 4.470 -0.000 0.000 0.263 455 S C 1.421 175.995 174.600 -0.043 0.000 1.287 455 S CA 0.171 58.371 58.200 0.001 0.000 0.990 455 S CB 1.138 64.366 63.200 0.047 0.000 0.950 455 S HN 0.805 nan 8.310 nan 0.000 0.561 456 A N 0.616 123.399 122.820 -0.063 0.000 2.024 456 A HA -0.039 4.281 4.320 -0.000 0.000 0.220 456 A C 2.027 179.519 177.584 -0.153 0.000 1.164 456 A CA 1.495 53.470 52.037 -0.102 0.000 0.643 456 A CB -0.966 17.969 19.000 -0.108 0.000 0.806 456 A HN 0.840 nan 8.150 nan 0.000 0.451 457 L N -0.297 120.822 121.223 -0.173 0.000 2.044 457 L HA -0.093 4.247 4.340 -0.000 0.000 0.205 457 L C 2.349 178.976 176.870 -0.404 0.000 1.075 457 L CA 2.545 57.185 54.840 -0.334 0.000 0.747 457 L CB -0.554 41.284 42.059 -0.368 0.000 0.903 457 L HN 0.557 nan 8.230 nan 0.000 0.435 458 E N 0.205 120.316 120.200 -0.149 0.000 2.001 458 E HA -0.283 4.067 4.350 -0.000 0.000 0.195 458 E C 2.248 178.786 176.600 -0.104 0.000 1.002 458 E CA 2.232 58.667 56.400 0.058 0.000 0.819 458 E CB -0.785 28.980 29.700 0.108 0.000 0.769 458 E HN 0.467 nan 8.360 nan 0.000 0.454 459 I N 0.014 120.494 120.570 -0.150 0.000 2.300 459 I HA -0.236 3.934 4.170 -0.000 0.000 0.252 459 I C 1.979 177.916 176.117 -0.301 0.000 1.119 459 I CA 1.913 63.053 61.300 -0.267 0.000 1.384 459 I CB -0.489 37.414 38.000 -0.163 0.000 1.062 459 I HN 0.337 nan 8.210 nan 0.000 0.426 460 G N -0.072 108.590 108.800 -0.230 0.000 2.404 460 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.214 460 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.214 460 G C 1.469 176.242 174.900 -0.211 0.000 1.189 460 G CA 0.360 45.331 45.100 -0.216 0.000 0.789 460 G HN 0.319 nan 8.290 nan 0.000 0.533 461 E N 0.446 120.516 120.200 -0.217 0.000 2.110 461 E HA -0.080 4.270 4.350 -0.000 0.000 0.193 461 E C 2.866 179.399 176.600 -0.112 0.000 0.988 461 E CA 0.539 56.855 56.400 -0.140 0.000 0.804 461 E CB -0.552 29.099 29.700 -0.081 0.000 0.745 461 E HN 0.266 nan 8.360 nan 0.000 0.458 462 V N 1.136 120.949 119.914 -0.169 0.000 2.287 462 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 462 V C 2.425 178.379 176.094 -0.233 0.000 1.053 462 V CA 1.371 63.536 62.300 -0.226 0.000 1.027 462 V CB -0.461 31.113 31.823 -0.417 0.000 0.646 462 V HN 0.160 nan 8.190 nan 0.000 0.447 463 L N -0.253 120.796 121.223 -0.291 0.000 1.994 463 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 463 L C 2.559 179.362 176.870 -0.111 0.000 1.071 463 L CA 2.124 56.840 54.840 -0.207 0.000 0.745 463 L CB -1.071 40.866 42.059 -0.204 0.000 0.892 463 L HN 0.313 nan 8.230 nan 0.000 0.431 464 R N -0.040 120.398 120.500 -0.104 0.000 2.115 464 R HA -0.190 4.150 4.340 -0.000 0.000 0.239 464 R C 2.209 178.490 176.300 -0.032 0.000 1.133 464 R CA 2.043 58.106 56.100 -0.062 0.000 0.935 464 R CB -1.325 28.938 30.300 -0.062 0.000 0.853 464 R HN 0.373 nan 8.270 nan 0.000 0.433 465 G N 0.289 109.072 108.800 -0.028 0.000 2.440 465 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.218 465 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.218 465 G C 1.531 176.442 174.900 0.017 0.000 1.154 465 G CA 1.010 46.117 45.100 0.011 0.000 0.767 465 G HN 0.320 nan 8.290 nan 0.000 0.552 466 L N 0.597 121.817 121.223 -0.004 0.000 2.012 466 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 466 L C 3.444 180.323 176.870 0.015 0.000 1.073 466 L CA 1.209 56.058 54.840 0.015 0.000 0.748 466 L CB -0.437 41.629 42.059 0.012 0.000 0.891 466 L HN 0.324 nan 8.230 nan 0.000 0.431 467 A N -0.099 122.721 122.820 -0.000 0.000 1.877 467 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 467 A C 2.126 179.716 177.584 0.009 0.000 1.186 467 A CA 1.403 53.441 52.037 0.002 0.000 0.620 467 A CB -0.726 18.268 19.000 -0.010 0.000 0.822 467 A HN 0.389 nan 8.150 nan 0.000 0.443 468 L N -0.856 120.373 121.223 0.011 0.000 2.610 468 L HA 0.110 4.450 4.340 -0.000 0.000 0.232 468 L C 1.670 178.557 176.870 0.028 0.000 1.149 468 L CA 0.494 55.345 54.840 0.018 0.000 0.872 468 L CB -0.405 41.666 42.059 0.019 0.000 0.992 468 L HN 0.630 nan 8.230 nan 0.000 0.447 469 G N 0.193 109.013 108.800 0.032 0.000 2.179 469 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.257 469 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.257 469 G C 0.948 175.880 174.900 0.054 0.000 1.010 469 G CA 0.761 45.885 45.100 0.040 0.000 0.736 469 G HN 0.427 nan 8.290 nan 0.000 0.513 470 T N -3.009 111.590 114.554 0.075 0.000 3.009 470 T HA 0.314 4.664 4.350 -0.000 0.000 0.258 470 T C 0.839 175.659 174.700 0.200 0.000 1.063 470 T CA 1.378 63.547 62.100 0.115 0.000 1.139 470 T CB 0.409 69.368 68.868 0.151 0.000 0.890 470 T HN 0.446 nan 8.240 nan 0.000 0.471 471 E N 1.632 121.929 120.200 0.162 0.000 2.166 471 E HA 0.471 4.821 4.350 -0.000 0.000 0.275 471 E C 1.092 177.748 176.600 0.094 0.000 0.941 471 E CA -0.201 56.286 56.400 0.145 0.000 0.784 471 E CB 1.841 31.559 29.700 0.031 0.000 1.115 471 E HN 0.227 nan 8.360 nan 0.000 0.399 472 S N 3.109 118.864 115.700 0.092 0.000 2.406 472 S HA 0.114 4.584 4.470 -0.000 0.000 0.228 472 S C 1.514 176.156 174.600 0.070 0.000 1.020 472 S CA 0.424 58.661 58.200 0.061 0.000 0.965 472 S CB -0.381 62.841 63.200 0.037 0.000 0.798 472 S HN 1.201 nan 8.310 nan 0.000 0.488 473 G N 0.816 109.667 108.800 0.085 0.000 2.132 473 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.228 473 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.228 473 G C 0.370 175.384 174.900 0.191 0.000 1.000 473 G CA 0.326 45.520 45.100 0.156 0.000 0.693 473 G HN 0.613 nan 8.290 nan 0.000 0.515 474 L N -0.638 120.636 121.223 0.086 0.000 2.056 474 L HA 0.557 4.897 4.340 -0.000 0.000 0.207 474 L C 0.956 177.940 176.870 0.190 0.000 1.078 474 L CA 2.174 57.027 54.840 0.021 0.000 0.749 474 L CB -0.176 41.756 42.059 -0.211 0.000 0.901 474 L HN 0.584 nan 8.230 nan 0.000 0.433 475 F N -1.052 118.900 119.950 0.004 0.000 2.599 475 F HA 0.600 5.127 4.527 -0.000 0.000 0.311 475 F C -0.647 175.094 175.800 -0.098 0.000 1.076 475 F CA -0.315 57.752 58.000 0.112 0.000 0.937 475 F CB 1.589 40.594 39.000 0.009 0.000 1.282 475 F HN -0.200 nan 8.300 nan 0.000 0.460 476 S N 4.526 119.200 115.700 -1.710 0.000 2.560 476 S HA 0.365 4.835 4.470 -0.000 0.000 0.283 476 S C -2.553 171.197 174.600 -1.418 0.000 1.141 476 S CA -0.986 56.354 58.200 -1.433 0.000 0.902 476 S CB 1.877 64.486 63.200 -0.985 0.000 1.104 476 S HN 0.486 nan 8.310 nan 0.000 0.454 477 P HA 0.016 nan 4.420 nan 0.000 0.226 477 P C 1.260 178.399 177.300 -0.268 0.000 1.146 477 P CA 0.776 63.649 63.100 -0.378 0.000 0.773 477 P CB -0.411 31.177 31.700 -0.186 0.000 0.772 478 c N -1.753 116.637 118.600 -0.351 0.000 2.457 478 c HA -0.078 4.492 4.570 -0.000 0.000 0.278 478 c C 2.477 176.509 174.090 -0.098 0.000 1.309 478 c CA 0.289 56.501 56.329 -0.194 0.000 1.735 478 c CB -2.140 40.310 42.510 -0.100 0.000 1.992 478 c HN 0.180 nan 8.230 nan 0.000 0.493 479 Y N 0.943 121.142 120.300 -0.167 0.000 2.446 479 Y HA -0.065 4.485 4.550 -0.000 0.000 0.287 479 Y C 1.758 177.620 175.900 -0.062 0.000 1.159 479 Y CA 1.027 59.047 58.100 -0.134 0.000 1.297 479 Y CB -0.730 37.654 38.460 -0.126 0.000 0.974 479 Y HN 0.305 nan 8.280 nan 0.000 0.557 480 L N -1.933 119.351 121.223 0.101 0.000 3.086 480 L HA 0.188 4.528 4.340 -0.000 0.000 0.274 480 L C 0.978 177.880 176.870 0.054 0.000 1.184 480 L CA -0.027 54.870 54.840 0.095 0.000 1.002 480 L CB -0.094 42.052 42.059 0.146 0.000 1.383 480 L HN -0.093 nan 8.230 nan 0.000 0.582 481 S N 0.131 115.821 115.700 -0.017 0.000 2.589 481 S HA 0.288 4.758 4.470 -0.000 0.000 0.265 481 S C 0.577 175.048 174.600 -0.216 0.000 1.342 481 S CA -0.297 57.848 58.200 -0.092 0.000 1.005 481 S CB 0.519 63.641 63.200 -0.130 0.000 0.909 481 S HN 0.219 nan 8.310 nan 0.000 0.555 482 L N 0.939 121.995 121.223 -0.280 0.000 2.978 482 L HA 0.336 4.676 4.340 -0.000 0.000 0.239 482 L C 1.053 177.372 176.870 -0.920 0.000 1.293 482 L CA -0.139 54.368 54.840 -0.555 0.000 1.085 482 L CB -0.296 41.707 42.059 -0.094 0.000 1.432 482 L HN 0.573 nan 8.230 nan 0.000 0.512 483 R N 0.992 121.027 120.500 -0.774 0.000 2.346 483 R HA 0.210 4.550 4.340 -0.000 0.000 0.309 483 R C -0.509 175.508 176.300 -0.472 0.000 1.119 483 R CA -0.433 55.377 56.100 -0.483 0.000 1.112 483 R CB 0.245 30.419 30.300 -0.209 0.000 1.132 483 R HN 0.100 nan 8.270 nan 0.000 0.538 484 F N 1.177 121.163 119.950 0.060 0.000 2.713 484 F HA 0.136 4.663 4.527 -0.000 0.000 0.294 484 F C 1.422 177.252 175.800 0.050 0.000 1.152 484 F CA -0.487 57.546 58.000 0.055 0.000 1.385 484 F CB 0.198 39.237 39.000 0.065 0.000 0.981 484 F HN 0.418 nan 8.300 nan 0.000 0.514 485 D N 0.888 121.361 120.400 0.123 0.000 2.240 485 D HA -0.035 4.605 4.640 -0.000 0.000 0.206 485 D C 0.703 177.051 176.300 0.081 0.000 0.963 485 D CA 0.483 54.542 54.000 0.098 0.000 0.863 485 D CB 0.128 40.963 40.800 0.059 0.000 0.973 485 D HN 0.118 nan 8.370 nan 0.000 0.501 486 L N 1.617 122.886 121.223 0.077 0.000 2.530 486 L HA 0.356 4.696 4.340 -0.000 0.000 0.273 486 L C 0.588 177.513 176.870 0.091 0.000 1.141 486 L CA -0.245 54.645 54.840 0.084 0.000 0.905 486 L CB -0.377 41.751 42.059 0.115 0.000 1.202 486 L HN 0.015 nan 8.230 nan 0.000 0.473 487 T N -0.488 114.111 114.554 0.074 0.000 2.841 487 T HA 0.533 4.883 4.350 -0.000 0.000 0.276 487 T C 1.057 175.793 174.700 0.060 0.000 1.003 487 T CA -0.676 61.463 62.100 0.066 0.000 0.995 487 T CB 1.388 70.288 68.868 0.053 0.000 1.260 487 T HN 0.482 nan 8.240 nan 0.000 0.581 488 R N 0.811 121.341 120.500 0.049 0.000 2.112 488 R HA -0.143 4.197 4.340 -0.000 0.000 0.242 488 R C 1.715 178.036 176.300 0.034 0.000 1.137 488 R CA 2.484 58.610 56.100 0.043 0.000 0.944 488 R CB -1.323 28.996 30.300 0.032 0.000 0.857 488 R HN 0.782 nan 8.270 nan 0.000 0.435 489 D N -0.438 119.978 120.400 0.027 0.000 2.091 489 D HA -0.133 4.507 4.640 -0.000 0.000 0.199 489 D C 1.697 178.005 176.300 0.013 0.000 0.980 489 D CA 1.201 55.211 54.000 0.017 0.000 0.831 489 D CB -0.262 40.547 40.800 0.014 0.000 0.987 489 D HN 0.088 nan 8.370 nan 0.000 0.460 490 K N 1.516 121.928 120.400 0.020 0.000 2.074 490 K HA -0.134 4.186 4.320 -0.000 0.000 0.209 490 K C 2.223 178.830 176.600 0.012 0.000 1.048 490 K CA 0.923 57.219 56.287 0.015 0.000 0.926 490 K CB -0.723 31.794 32.500 0.028 0.000 0.713 490 K HN 0.080 nan 8.250 nan 0.000 0.444 491 L N 0.026 121.268 121.223 0.032 0.000 2.083 491 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 491 L C 2.384 179.251 176.870 -0.005 0.000 1.083 491 L CA 1.023 55.882 54.840 0.031 0.000 0.752 491 L CB -0.273 41.839 42.059 0.089 0.000 0.899 491 L HN 0.224 nan 8.230 nan 0.000 0.433 492 L N -1.175 120.048 121.223 0.000 0.000 2.265 492 L HA -0.201 4.139 4.340 -0.000 0.000 0.215 492 L C 2.435 179.286 176.870 -0.031 0.000 1.117 492 L CA 0.759 55.591 54.840 -0.014 0.000 0.782 492 L CB -0.050 42.006 42.059 -0.006 0.000 0.914 492 L HN 0.263 nan 8.230 nan 0.000 0.441 493 S N -0.698 114.983 115.700 -0.033 0.000 2.362 493 S HA -0.140 4.330 4.470 -0.000 0.000 0.221 493 S C 1.742 176.303 174.600 -0.065 0.000 1.032 493 S CA 1.109 59.280 58.200 -0.048 0.000 0.973 493 S CB -0.113 63.060 63.200 -0.045 0.000 0.849 493 S HN 0.272 nan 8.310 nan 0.000 0.465 494 M N 1.741 121.300 119.600 -0.068 0.000 2.374 494 M HA 0.178 4.658 4.480 -0.000 0.000 0.264 494 M C 0.906 177.143 176.300 -0.104 0.000 1.067 494 M CA 0.126 55.371 55.300 -0.092 0.000 1.103 494 M CB -0.739 31.802 32.600 -0.098 0.000 1.402 494 M HN 0.222 nan 8.290 nan 0.000 0.444 495 A N 2.118 124.884 122.820 -0.089 0.000 2.561 495 A HA 0.204 4.524 4.320 -0.000 0.000 0.234 495 A C -2.031 175.503 177.584 -0.084 0.000 1.055 495 A CA -0.939 51.044 52.037 -0.089 0.000 0.756 495 A CB -1.014 17.947 19.000 -0.065 0.000 0.986 495 A HN 0.219 nan 8.150 nan 0.000 0.505 496 P HA 0.073 nan 4.420 nan 0.000 0.271 496 P C -1.016 176.248 177.300 -0.059 0.000 1.220 496 P CA 0.109 63.163 63.100 -0.076 0.000 0.768 496 P CB 0.660 32.315 31.700 -0.075 0.000 0.848 497 Q N 2.999 122.765 119.800 -0.057 0.000 2.503 497 Q HA 0.308 4.648 4.340 -0.000 0.000 0.227 497 Q C -0.284 175.692 176.000 -0.039 0.000 1.109 497 Q CA 0.190 55.965 55.803 -0.047 0.000 0.922 497 Q CB 0.957 29.666 28.738 -0.049 0.000 1.249 497 Q HN 0.540 nan 8.270 nan 0.000 0.530 498 E N 0.022 120.202 120.200 -0.033 0.000 2.352 498 E HA 0.412 4.762 4.350 -0.000 0.000 0.280 498 E C -0.368 176.220 176.600 -0.021 0.000 0.930 498 E CA -0.437 55.947 56.400 -0.027 0.000 0.765 498 E CB 1.562 31.245 29.700 -0.028 0.000 1.219 498 E HN 0.472 nan 8.360 nan 0.000 0.434 499 A N 1.157 123.967 122.820 -0.017 0.000 2.206 499 A HA -0.035 4.285 4.320 -0.000 0.000 0.211 499 A C 1.489 179.067 177.584 -0.011 0.000 1.158 499 A CA 0.982 53.011 52.037 -0.013 0.000 0.761 499 A CB -0.310 18.683 19.000 -0.011 0.000 0.801 499 A HN 0.545 nan 8.150 nan 0.000 0.473 500 T N -0.219 114.328 114.554 -0.012 0.000 3.118 500 T HA 0.246 4.596 4.350 -0.000 0.000 0.260 500 T C -0.035 174.660 174.700 -0.008 0.000 1.139 500 T CA 0.481 62.576 62.100 -0.009 0.000 1.085 500 T CB -0.295 68.568 68.868 -0.009 0.000 0.934 500 T HN 0.154 nan 8.240 nan 0.000 0.518 501 L N 1.637 122.853 121.223 -0.012 0.000 2.333 501 L HA 0.419 4.759 4.340 -0.000 0.000 0.280 501 L C -0.253 176.611 176.870 -0.010 0.000 1.004 501 L CA -0.961 53.872 54.840 -0.011 0.000 0.820 501 L CB 1.457 43.505 42.059 -0.018 0.000 1.247 501 L HN -0.118 nan 8.230 nan 0.000 0.416 502 D N 2.145 122.541 120.400 -0.006 0.000 2.402 502 D HA -0.031 4.609 4.640 -0.000 0.000 0.268 502 D C 1.113 177.409 176.300 -0.006 0.000 1.294 502 D CA 0.333 54.331 54.000 -0.004 0.000 0.945 502 D CB 0.868 41.667 40.800 -0.001 0.000 1.112 502 D HN 0.391 nan 8.370 nan 0.000 0.517 503 Q N 3.087 122.882 119.800 -0.007 0.000 2.217 503 Q HA -0.268 4.072 4.340 -0.000 0.000 0.209 503 Q C 1.737 177.734 176.000 -0.005 0.000 0.988 503 Q CA 1.649 57.447 55.803 -0.008 0.000 0.878 503 Q CB -0.269 28.464 28.738 -0.008 0.000 0.909 503 Q HN 0.696 nan 8.270 nan 0.000 0.424 504 A N 0.715 123.534 122.820 -0.002 0.000 1.872 504 A HA 0.013 4.333 4.320 -0.000 0.000 0.214 504 A C 2.356 179.942 177.584 0.002 0.000 1.187 504 A CA 1.605 53.642 52.037 0.000 0.000 0.614 504 A CB -0.662 18.339 19.000 0.001 0.000 0.826 504 A HN 0.369 nan 8.150 nan 0.000 0.442 505 A N -0.303 122.518 122.820 0.002 0.000 1.908 505 A HA -0.044 4.276 4.320 -0.000 0.000 0.218 505 A C 2.212 179.798 177.584 0.002 0.000 1.181 505 A CA 1.910 53.950 52.037 0.004 0.000 0.627 505 A CB -1.042 17.960 19.000 0.004 0.000 0.818 505 A HN 0.427 nan 8.150 nan 0.000 0.445 506 V N -0.370 119.542 119.914 -0.004 0.000 2.287 506 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 506 V C 2.778 178.871 176.094 -0.002 0.000 1.053 506 V CA 2.370 64.665 62.300 -0.009 0.000 1.027 506 V CB -1.065 30.748 31.823 -0.017 0.000 0.646 506 V HN 0.669 nan 8.190 nan 0.000 0.447 507 S N 0.408 116.109 115.700 0.002 0.000 2.365 507 S HA -0.261 4.209 4.470 -0.000 0.000 0.225 507 S C 1.952 176.562 174.600 0.018 0.000 1.039 507 S CA 2.044 60.249 58.200 0.008 0.000 1.033 507 S CB -0.530 62.674 63.200 0.007 0.000 0.887 507 S HN 0.695 nan 8.310 nan 0.000 0.447 508 N N 1.775 120.485 118.700 0.017 0.000 2.104 508 N HA -0.078 4.662 4.740 -0.000 0.000 0.190 508 N C 1.972 177.504 175.510 0.037 0.000 1.024 508 N CA 1.379 54.444 53.050 0.024 0.000 0.853 508 N CB -0.904 37.594 38.487 0.019 0.000 1.008 508 N HN 0.533 nan 8.380 nan 0.000 0.424 509 A N 1.261 124.100 122.820 0.032 0.000 1.865 509 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 509 A C 2.586 180.215 177.584 0.075 0.000 1.191 509 A CA 1.724 53.786 52.037 0.043 0.000 0.623 509 A CB -0.941 18.063 19.000 0.007 0.000 0.826 509 A HN 0.109 nan 8.150 nan 0.000 0.444 510 V N 0.719 120.664 119.914 0.051 0.000 2.332 510 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 510 V C 2.213 178.378 176.094 0.119 0.000 1.055 510 V CA 2.329 64.676 62.300 0.079 0.000 1.038 510 V CB -0.911 30.936 31.823 0.041 0.000 0.651 510 V HN 0.522 nan 8.190 nan 0.000 0.450 511 D N 0.568 121.015 120.400 0.078 0.000 2.097 511 D HA -0.119 4.521 4.640 -0.000 0.000 0.195 511 D C 2.227 178.573 176.300 0.076 0.000 0.989 511 D CA 1.805 55.844 54.000 0.064 0.000 0.827 511 D CB -0.416 40.407 40.800 0.039 0.000 0.966 511 D HN 0.489 nan 8.370 nan 0.000 0.456 512 G N 0.575 109.427 108.800 0.086 0.000 2.459 512 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.217 512 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.217 512 G C 1.506 176.483 174.900 0.129 0.000 1.183 512 G CA 0.432 45.584 45.100 0.087 0.000 0.776 512 G HN 0.190 nan 8.290 nan 0.000 0.552 513 F N 0.982 120.950 119.950 0.030 0.000 2.065 513 F HA -0.083 4.444 4.527 -0.000 0.000 0.298 513 F C 2.414 178.251 175.800 0.062 0.000 1.112 513 F CA 1.545 59.582 58.000 0.062 0.000 1.212 513 F CB -0.567 38.460 39.000 0.044 0.000 0.975 513 F HN 0.111 nan 8.300 nan 0.000 0.476 514 L N 0.447 121.733 121.223 0.105 0.000 2.081 514 L HA -0.080 4.260 4.340 -0.000 0.000 0.212 514 L C 2.418 179.249 176.870 -0.065 0.000 1.080 514 L CA 2.196 57.037 54.840 0.002 0.000 0.754 514 L CB -1.459 40.637 42.059 0.062 0.000 0.893 514 L HN 0.234 nan 8.230 nan 0.000 0.433 515 G N -1.057 107.717 108.800 -0.043 0.000 2.434 515 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.214 515 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.214 515 G C 1.758 176.580 174.900 -0.129 0.000 1.202 515 G CA 0.675 45.735 45.100 -0.066 0.000 0.788 515 G HN 0.413 nan 8.290 nan 0.000 0.539 516 R N -0.158 120.242 120.500 -0.167 0.000 2.193 516 R HA 0.159 4.499 4.340 -0.000 0.000 0.229 516 R C 2.382 178.434 176.300 -0.412 0.000 1.110 516 R CA 0.668 56.601 56.100 -0.278 0.000 0.988 516 R CB -0.290 29.842 30.300 -0.279 0.000 0.871 516 R HN 0.416 nan 8.270 nan 0.000 0.458 517 L N 0.259 121.271 121.223 -0.352 0.000 2.109 517 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 517 L C 2.084 178.853 176.870 -0.168 0.000 1.086 517 L CA 1.564 56.229 54.840 -0.292 0.000 0.760 517 L CB -0.149 41.723 42.059 -0.312 0.000 0.910 517 L HN 0.341 nan 8.230 nan 0.000 0.437 518 S N -1.246 114.374 115.700 -0.132 0.000 2.522 518 S HA -0.022 4.448 4.470 -0.000 0.000 0.227 518 S C 1.659 176.201 174.600 -0.097 0.000 0.986 518 S CA 0.330 58.483 58.200 -0.078 0.000 0.929 518 S CB -0.113 63.055 63.200 -0.054 0.000 0.769 518 S HN 0.431 nan 8.310 nan 0.000 0.529 519 L N 0.005 121.141 121.223 -0.145 0.000 2.362 519 L HA 0.310 4.650 4.340 -0.000 0.000 0.204 519 L C 2.800 179.573 176.870 -0.163 0.000 1.060 519 L CA 0.814 55.568 54.840 -0.144 0.000 0.827 519 L CB -0.350 41.616 42.059 -0.155 0.000 1.027 519 L HN 0.258 nan 8.230 nan 0.000 0.474 520 E N 0.818 120.875 120.200 -0.239 0.000 2.106 520 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 520 E C 1.054 177.573 176.600 -0.134 0.000 0.984 520 E CA 0.752 57.008 56.400 -0.240 0.000 0.806 520 E CB 0.247 29.651 29.700 -0.493 0.000 0.750 520 E HN 0.097 nan 8.360 nan 0.000 0.458 521 R N 0.401 120.839 120.500 -0.103 0.000 2.407 521 R HA 0.168 4.508 4.340 -0.000 0.000 0.303 521 R C -0.246 176.037 176.300 -0.029 0.000 0.981 521 R CA -0.551 55.535 56.100 -0.024 0.000 0.905 521 R CB 0.746 31.075 30.300 0.047 0.000 1.099 521 R HN -0.047 nan 8.270 nan 0.000 0.459 522 E N 1.907 122.084 120.200 -0.038 0.000 2.819 522 E HA 0.139 4.489 4.350 -0.000 0.000 0.241 522 E C -0.273 176.286 176.600 -0.068 0.000 0.987 522 E CA -0.468 55.885 56.400 -0.079 0.000 1.024 522 E CB 0.666 30.279 29.700 -0.146 0.000 1.448 522 E HN 0.583 nan 8.360 nan 0.000 0.484 523 D N -0.399 119.921 120.400 -0.135 0.000 2.380 523 D HA -0.004 4.636 4.640 -0.000 0.000 0.212 523 D C 1.578 177.729 176.300 -0.248 0.000 1.021 523 D CA 0.430 54.365 54.000 -0.108 0.000 0.884 523 D CB 0.173 40.953 40.800 -0.032 0.000 1.001 523 D HN 0.308 nan 8.370 nan 0.000 0.506 524 R N 0.574 120.749 120.500 -0.543 0.000 2.297 524 R HA 0.086 4.426 4.340 -0.000 0.000 0.197 524 R C 0.220 176.223 176.300 -0.494 0.000 0.943 524 R CA 0.402 55.875 56.100 -1.044 0.000 1.038 524 R CB -0.073 29.468 30.300 -1.265 0.000 0.957 524 R HN -0.184 nan 8.270 nan 0.000 0.484 525 D N 1.607 121.859 120.400 -0.246 0.000 2.411 525 D HA -0.058 4.582 4.640 -0.000 0.000 0.226 525 D C 0.579 176.876 176.300 -0.006 0.000 0.988 525 D CA 1.282 55.226 54.000 -0.093 0.000 0.938 525 D CB 0.488 41.284 40.800 -0.007 0.000 0.883 525 D HN 0.514 nan 8.370 nan 0.000 0.525 526 A N -1.396 121.406 122.820 -0.031 0.000 2.524 526 A HA 0.166 4.486 4.320 -0.000 0.000 0.267 526 A C 0.757 178.310 177.584 -0.052 0.000 0.881 526 A CA -0.579 51.488 52.037 0.051 0.000 1.077 526 A CB -0.444 18.678 19.000 0.203 0.000 1.220 526 A HN 0.027 nan 8.150 nan 0.000 0.488 527 W N 0.065 121.098 121.300 -0.446 0.000 2.407 527 W HA 0.004 4.664 4.660 -0.000 0.000 0.305 527 W C 1.952 178.322 176.519 -0.247 0.000 1.196 527 W CA 1.630 58.651 57.345 -0.539 0.000 1.311 527 W CB -0.509 28.652 29.460 -0.497 0.000 1.135 527 W HN 0.595 nan 8.180 nan 0.000 0.514 528 H N -0.030 119.124 119.070 0.139 0.000 2.518 528 H HA -0.049 4.507 4.556 -0.000 0.000 0.294 528 H C 0.639 176.015 175.328 0.079 0.000 1.083 528 H CA 0.817 56.920 56.048 0.092 0.000 1.264 528 H CB -0.855 28.947 29.762 0.067 0.000 1.370 528 H HN -0.023 nan 8.280 nan 0.000 0.560 529 L N 1.971 123.307 121.223 0.188 0.000 2.410 529 L HA 0.026 4.366 4.340 -0.000 0.000 0.273 529 L C -0.982 175.982 176.870 0.156 0.000 1.144 529 L CA -1.431 53.510 54.840 0.169 0.000 0.863 529 L CB 0.737 42.911 42.059 0.192 0.000 1.140 529 L HN -0.042 nan 8.230 nan 0.000 0.463 530 P HA -0.195 nan 4.420 nan 0.000 0.215 530 P C 1.304 178.655 177.300 0.086 0.000 1.157 530 P CA 1.362 64.516 63.100 0.091 0.000 0.868 530 P CB 0.275 32.016 31.700 0.069 0.000 0.788 531 A N -1.912 120.963 122.820 0.092 0.000 2.067 531 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 531 A C 2.124 179.752 177.584 0.073 0.000 1.158 531 A CA 0.969 53.045 52.037 0.064 0.000 0.661 531 A CB -1.830 17.203 19.000 0.055 0.000 0.801 531 A HN 0.131 nan 8.150 nan 0.000 0.452 532 Y N 1.447 121.748 120.300 0.002 0.000 2.102 532 Y HA -0.322 4.228 4.550 -0.000 0.000 0.280 532 Y C 1.953 177.805 175.900 -0.079 0.000 1.178 532 Y CA 2.483 60.567 58.100 -0.027 0.000 1.146 532 Y CB -0.262 38.178 38.460 -0.033 0.000 0.968 532 Y HN 0.370 nan 8.280 nan 0.000 0.504 533 K N -1.146 119.268 120.400 0.023 0.000 2.520 533 K HA -0.132 4.188 4.320 -0.000 0.000 0.197 533 K C 1.354 177.882 176.600 -0.120 0.000 1.043 533 K CA 0.939 57.184 56.287 -0.071 0.000 0.944 533 K CB -0.472 32.007 32.500 -0.036 0.000 0.770 533 K HN 0.324 nan 8.250 nan 0.000 0.480 534 c N 0.572 119.097 118.600 -0.125 0.000 2.855 534 c HA 0.188 4.758 4.570 -0.000 0.000 0.279 534 c C 0.427 174.432 174.090 -0.142 0.000 1.270 534 c CA -0.721 55.541 56.329 -0.112 0.000 1.702 534 c CB -0.557 41.908 42.510 -0.074 0.000 1.949 534 c HN 0.019 nan 8.230 nan 0.000 0.618 535 V N 2.040 121.822 119.914 -0.220 0.000 2.328 535 V HA 0.238 4.358 4.120 -0.000 0.000 0.278 535 V C 0.228 176.202 176.094 -0.200 0.000 1.021 535 V CA -0.008 62.166 62.300 -0.209 0.000 0.838 535 V CB 1.078 32.745 31.823 -0.261 0.000 0.999 535 V HN 0.242 nan 8.190 nan 0.000 0.447 536 D N 3.096 123.414 120.400 -0.136 0.000 2.087 536 D HA -0.023 4.617 4.640 -0.000 0.000 0.203 536 D C 1.193 177.432 176.300 -0.102 0.000 0.976 536 D CA 1.286 55.219 54.000 -0.111 0.000 0.865 536 D CB 0.106 40.855 40.800 -0.086 0.000 1.005 536 D HN 0.404 nan 8.370 nan 0.000 0.449 537 R N 1.948 122.400 120.500 -0.079 0.000 3.268 537 R HA 0.142 4.482 4.340 -0.000 0.000 0.217 537 R C 1.290 177.550 176.300 -0.066 0.000 1.568 537 R CA -0.092 55.973 56.100 -0.059 0.000 1.322 537 R CB -0.198 30.082 30.300 -0.033 0.000 1.280 537 R HN 0.322 nan 8.270 nan 0.000 0.667 538 L N -0.666 120.496 121.223 -0.102 0.000 2.362 538 L HA -0.067 4.273 4.340 -0.000 0.000 0.219 538 L C 1.419 178.243 176.870 -0.077 0.000 1.134 538 L CA 1.143 55.907 54.840 -0.126 0.000 0.807 538 L CB -0.292 41.639 42.059 -0.213 0.000 0.927 538 L HN 0.290 nan 8.230 nan 0.000 0.447 539 D N 0.705 121.077 120.400 -0.046 0.000 2.269 539 D HA -0.188 4.452 4.640 -0.000 0.000 0.208 539 D C 1.005 177.308 176.300 0.005 0.000 0.963 539 D CA 0.842 54.829 54.000 -0.022 0.000 0.864 539 D CB -0.193 40.600 40.800 -0.012 0.000 0.936 539 D HN 0.530 nan 8.370 nan 0.000 0.505 540 K N 0.994 121.401 120.400 0.012 0.000 2.577 540 K HA 0.233 4.553 4.320 -0.000 0.000 0.210 540 K C -0.286 176.352 176.600 0.064 0.000 1.048 540 K CA -0.204 56.108 56.287 0.041 0.000 1.188 540 K CB 1.550 34.078 32.500 0.046 0.000 0.910 540 K HN 0.004 nan 8.250 nan 0.000 0.483 541 V N 2.382 122.333 119.914 0.062 0.000 2.383 541 V HA 0.109 4.229 4.120 -0.000 0.000 0.275 541 V C 1.432 177.635 176.094 0.181 0.000 1.036 541 V CA -0.217 62.147 62.300 0.107 0.000 0.889 541 V CB 1.131 33.002 31.823 0.080 0.000 0.985 541 V HN 0.290 nan 8.190 nan 0.000 0.459 542 L N 4.512 125.838 121.223 0.171 0.000 2.049 542 L HA 0.213 4.553 4.340 -0.000 0.000 0.203 542 L C 0.753 177.750 176.870 0.212 0.000 1.074 542 L CA 1.336 56.276 54.840 0.166 0.000 0.749 542 L CB -0.067 42.052 42.059 0.101 0.000 0.907 542 L HN 0.737 nan 8.230 nan 0.000 0.439 543 M N -0.135 119.585 119.600 0.201 0.000 2.523 543 M HA 0.439 4.919 4.480 -0.000 0.000 0.287 543 M C -1.794 174.617 176.300 0.186 0.000 1.160 543 M CA -0.727 54.668 55.300 0.159 0.000 0.902 543 M CB 2.379 34.996 32.600 0.028 0.000 1.752 543 M HN 0.021 nan 8.290 nan 0.000 0.504 544 I N 1.134 121.827 120.570 0.204 0.000 2.404 544 I HA 0.637 4.807 4.170 -0.000 0.000 0.293 544 I C -1.218 174.988 176.117 0.148 0.000 0.992 544 I CA -0.949 60.477 61.300 0.210 0.000 1.149 544 I CB 1.698 39.863 38.000 0.275 0.000 1.315 544 I HN 0.754 nan 8.210 nan 0.000 0.446 545 I N 6.447 127.121 120.570 0.173 0.000 2.388 545 I HA 0.365 4.535 4.170 -0.000 0.000 0.281 545 I C -2.433 173.768 176.117 0.140 0.000 1.046 545 I CA -1.884 59.499 61.300 0.139 0.000 1.187 545 I CB 1.151 39.250 38.000 0.166 0.000 1.351 545 I HN 0.299 nan 8.210 nan 0.000 0.472 546 P HA 0.155 nan 4.420 nan 0.000 0.269 546 P C -0.523 176.772 177.300 -0.009 0.000 1.252 546 P CA -0.066 63.063 63.100 0.049 0.000 0.780 546 P CB 0.624 32.349 31.700 0.042 0.000 0.829 547 L N 3.702 124.961 121.223 0.061 0.000 2.492 547 L HA 0.391 4.731 4.340 -0.000 0.000 0.263 547 L C 1.755 178.685 176.870 0.100 0.000 1.062 547 L CA -0.545 54.346 54.840 0.085 0.000 0.817 547 L CB 0.122 42.328 42.059 0.245 0.000 1.441 547 L HN 0.262 nan 8.230 nan 0.000 0.493 548 I N 0.128 120.803 120.570 0.175 0.000 2.072 548 I HA -0.211 3.958 4.170 -0.000 0.000 0.235 548 I C 1.303 177.495 176.117 0.126 0.000 1.058 548 I CA 1.274 62.673 61.300 0.164 0.000 1.320 548 I CB -0.230 37.898 38.000 0.213 0.000 1.047 548 I HN 0.613 nan 8.210 nan 0.000 0.397 549 N N 0.071 118.853 118.700 0.136 0.000 2.299 549 N HA 0.100 4.840 4.740 -0.000 0.000 0.187 549 N C -0.036 175.508 175.510 0.056 0.000 1.099 549 N CA 0.407 53.514 53.050 0.096 0.000 0.867 549 N CB 1.039 39.590 38.487 0.107 0.000 0.974 549 N HN 0.305 nan 8.380 nan 0.000 0.477 550 V N -2.976 116.968 119.914 0.050 0.000 3.112 550 V HA 0.748 4.868 4.120 -0.000 0.000 0.310 550 V C -0.922 175.151 176.094 -0.034 0.000 1.364 550 V CA -0.829 61.447 62.300 -0.040 0.000 1.058 550 V CB 1.605 33.334 31.823 -0.156 0.000 1.079 550 V HN 0.066 nan 8.190 nan 0.000 0.463 551 T N -1.257 113.219 114.554 -0.131 0.000 3.143 551 T HA 0.671 5.021 4.350 -0.000 0.000 0.312 551 T C -1.167 173.462 174.700 -0.117 0.000 0.986 551 T CA -0.047 62.032 62.100 -0.035 0.000 1.024 551 T CB 0.662 69.546 68.868 0.025 0.000 1.030 551 T HN 0.612 nan 8.240 nan 0.000 0.448 552 F N 2.288 122.282 119.950 0.074 0.000 2.396 552 F HA 0.604 5.131 4.527 -0.000 0.000 0.343 552 F C 0.622 176.474 175.800 0.088 0.000 1.104 552 F CA -1.107 56.943 58.000 0.083 0.000 1.161 552 F CB 1.033 40.082 39.000 0.081 0.000 1.146 552 F HN 0.479 nan 8.300 nan 0.000 0.522 553 I N 5.247 125.972 120.570 0.260 0.000 2.437 553 I HA 0.253 4.423 4.170 -0.000 0.000 0.279 553 I C -0.967 175.272 176.117 0.204 0.000 1.028 553 I CA -0.578 60.838 61.300 0.194 0.000 1.142 553 I CB 0.979 39.047 38.000 0.114 0.000 1.266 553 I HN 0.315 nan 8.210 nan 0.000 0.461 554 I N 6.230 126.916 120.570 0.192 0.000 2.352 554 I HA 0.279 4.449 4.170 -0.000 0.000 0.290 554 I C 0.562 176.769 176.117 0.150 0.000 1.036 554 I CA 0.643 62.039 61.300 0.161 0.000 1.336 554 I CB 1.004 39.073 38.000 0.115 0.000 1.407 554 I HN 0.627 nan 8.210 nan 0.000 0.497 555 S N 2.525 118.323 115.700 0.164 0.000 2.656 555 S HA 0.492 4.962 4.470 -0.000 0.000 0.273 555 S C 0.085 174.802 174.600 0.196 0.000 1.168 555 S CA -0.258 58.036 58.200 0.156 0.000 0.817 555 S CB 1.387 64.670 63.200 0.138 0.000 1.146 555 S HN 0.475 nan 8.310 nan 0.000 0.475 556 S N -0.106 115.694 115.700 0.167 0.000 2.622 556 S HA 0.314 4.784 4.470 -0.000 0.000 0.236 556 S C -0.338 174.455 174.600 0.321 0.000 0.956 556 S CA -0.307 57.995 58.200 0.171 0.000 0.971 556 S CB -0.964 62.280 63.200 0.074 0.000 0.782 556 S HN 0.855 nan 8.310 nan 0.000 0.468 557 D N 0.708 121.326 120.400 0.364 0.000 2.934 557 D HA 0.167 4.807 4.640 -0.000 0.000 0.230 557 D C 0.096 176.341 176.300 -0.092 0.000 1.204 557 D CA -0.851 53.257 54.000 0.180 0.000 0.873 557 D CB 1.268 42.103 40.800 0.058 0.000 1.645 557 D HN 0.300 nan 8.370 nan 0.000 0.502 558 R N 0.694 120.911 120.500 -0.473 0.000 2.555 558 R HA 0.165 4.505 4.340 -0.000 0.000 0.272 558 R C 0.021 176.128 176.300 -0.322 0.000 1.089 558 R CA -0.300 55.372 56.100 -0.713 0.000 1.126 558 R CB 0.065 29.767 30.300 -0.997 0.000 1.250 558 R HN 0.235 nan 8.270 nan 0.000 0.551 559 E N 0.915 121.001 120.200 -0.190 0.000 2.318 559 E HA 0.028 4.378 4.350 -0.000 0.000 0.193 559 E C 0.522 177.054 176.600 -0.113 0.000 0.998 559 E CA 0.226 56.549 56.400 -0.128 0.000 0.859 559 E CB 0.213 29.860 29.700 -0.089 0.000 0.812 559 E HN 0.131 nan 8.360 nan 0.000 0.492 560 V N 3.484 123.335 119.914 -0.105 0.000 2.644 560 V HA -0.127 3.993 4.120 -0.000 0.000 0.305 560 V C 1.101 177.142 176.094 -0.089 0.000 1.053 560 V CA 0.573 62.822 62.300 -0.085 0.000 1.186 560 V CB -0.048 31.745 31.823 -0.051 0.000 0.895 560 V HN 0.251 nan 8.190 nan 0.000 0.490 561 R N 3.554 124.005 120.500 -0.082 0.000 4.306 561 R HA 0.454 4.794 4.340 -0.000 0.000 0.266 561 R C 0.675 176.935 176.300 -0.067 0.000 1.624 561 R CA 0.015 56.069 56.100 -0.076 0.000 1.487 561 R CB 0.085 30.342 30.300 -0.072 0.000 1.441 561 R HN 0.692 nan 8.270 nan 0.000 0.750 562 G N 0.454 109.215 108.800 -0.065 0.000 3.152 562 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.157 562 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.157 562 G C 0.438 175.300 174.900 -0.063 0.000 1.786 562 G CA -0.239 44.823 45.100 -0.063 0.000 1.055 562 G HN 0.315 nan 8.290 nan 0.000 0.528 563 S N -0.701 114.960 115.700 -0.065 0.000 2.564 563 S HA 0.614 5.084 4.470 -0.000 0.000 0.231 563 S C 0.519 175.078 174.600 -0.068 0.000 1.067 563 S CA 0.487 58.652 58.200 -0.059 0.000 0.908 563 S CB 0.702 63.870 63.200 -0.052 0.000 0.809 563 S HN 0.993 nan 8.310 nan 0.000 0.491 564 A N 0.699 123.473 122.820 -0.077 0.000 2.609 564 A HA 0.784 5.104 4.320 -0.000 0.000 0.291 564 A C -2.223 175.280 177.584 -0.135 0.000 1.096 564 A CA -0.560 51.397 52.037 -0.134 0.000 0.684 564 A CB 1.044 19.930 19.000 -0.190 0.000 1.282 564 A HN 0.183 nan 8.150 nan 0.000 0.412 565 L N 0.595 121.694 121.223 -0.207 0.000 2.356 565 L HA 0.774 5.114 4.340 -0.000 0.000 0.277 565 L C -1.817 174.962 176.870 -0.150 0.000 0.996 565 L CA -0.247 54.518 54.840 -0.125 0.000 0.822 565 L CB 1.180 43.151 42.059 -0.147 0.000 1.256 565 L HN 0.632 nan 8.230 nan 0.000 0.413 566 Y N 2.707 123.101 120.300 0.157 0.000 2.468 566 Y HA 0.652 5.202 4.550 -0.000 0.000 0.342 566 Y C -0.271 175.773 175.900 0.241 0.000 1.021 566 Y CA -0.640 57.560 58.100 0.167 0.000 1.079 566 Y CB 1.956 40.502 38.460 0.144 0.000 1.226 566 Y HN 0.598 nan 8.280 nan 0.000 0.460 567 E N 1.627 122.035 120.200 0.348 0.000 2.278 567 E HA 0.721 5.071 4.350 -0.000 0.000 0.272 567 E C -1.452 175.167 176.600 0.030 0.000 0.890 567 E CA -0.828 55.661 56.400 0.148 0.000 0.770 567 E CB 1.323 31.121 29.700 0.164 0.000 1.212 567 E HN 0.782 nan 8.360 nan 0.000 0.415 568 A N 2.238 124.991 122.820 -0.111 0.000 2.346 568 A HA 0.235 4.555 4.320 -0.000 0.000 0.252 568 A C 1.056 178.598 177.584 -0.069 0.000 1.089 568 A CA 0.362 52.321 52.037 -0.130 0.000 0.797 568 A CB 0.480 19.227 19.000 -0.422 0.000 1.047 568 A HN 0.805 nan 8.150 nan 0.000 0.494 569 S N 0.005 115.704 115.700 -0.002 0.000 2.453 569 S HA -0.028 4.442 4.470 -0.000 0.000 0.231 569 S C 1.052 175.694 174.600 0.070 0.000 1.005 569 S CA 1.046 59.262 58.200 0.027 0.000 0.949 569 S CB -0.623 62.591 63.200 0.022 0.000 0.774 569 S HN 0.918 nan 8.310 nan 0.000 0.510 570 T N 2.817 117.441 114.554 0.117 0.000 2.901 570 T HA 0.331 4.681 4.350 -0.000 0.000 0.301 570 T C 0.851 175.593 174.700 0.069 0.000 1.012 570 T CA 0.565 62.783 62.100 0.196 0.000 1.135 570 T CB 0.686 69.738 68.868 0.307 0.000 0.936 570 T HN 0.474 nan 8.240 nan 0.000 0.539 571 T N 2.055 116.659 114.554 0.083 0.000 3.209 571 T HA 0.183 4.533 4.350 -0.000 0.000 0.295 571 T C 1.185 175.870 174.700 -0.024 0.000 0.977 571 T CA -0.367 61.721 62.100 -0.020 0.000 0.922 571 T CB -0.461 68.367 68.868 -0.067 0.000 1.152 571 T HN 0.620 nan 8.240 nan 0.000 0.527 572 Y N 1.977 122.279 120.300 0.003 0.000 2.165 572 Y HA 0.127 4.677 4.550 -0.000 0.000 0.286 572 Y C 1.137 177.030 175.900 -0.011 0.000 1.155 572 Y CA 0.503 58.606 58.100 0.005 0.000 1.164 572 Y CB -0.527 37.945 38.460 0.020 0.000 0.978 572 Y HN 0.218 nan 8.280 nan 0.000 0.513 573 L N -0.849 120.453 121.223 0.133 0.000 2.473 573 L HA -0.056 4.284 4.340 -0.000 0.000 0.265 573 L C 1.682 178.564 176.870 0.019 0.000 1.243 573 L CA 0.549 55.423 54.840 0.057 0.000 0.822 573 L CB -0.027 42.042 42.059 0.015 0.000 1.101 573 L HN -0.081 nan 8.230 nan 0.000 0.507 574 S N -1.018 114.689 115.700 0.012 0.000 2.351 574 S HA -0.120 4.350 4.470 -0.000 0.000 0.220 574 S C 0.928 175.524 174.600 -0.008 0.000 1.035 574 S CA 1.519 59.721 58.200 0.004 0.000 1.031 574 S CB -0.179 63.027 63.200 0.009 0.000 0.928 574 S HN 0.674 nan 8.310 nan 0.000 0.433 575 S N 0.247 115.939 115.700 -0.014 0.000 2.667 575 S HA 0.565 5.035 4.470 -0.000 0.000 0.292 575 S C 0.223 174.768 174.600 -0.091 0.000 1.108 575 S CA -0.810 57.374 58.200 -0.027 0.000 0.992 575 S CB 1.124 64.327 63.200 0.005 0.000 1.269 575 S HN 0.303 nan 8.310 nan 0.000 0.528 576 S N 0.515 116.111 115.700 -0.172 0.000 2.713 576 S HA 0.578 5.048 4.470 -0.000 0.000 0.283 576 S C -1.050 173.254 174.600 -0.494 0.000 1.161 576 S CA -0.517 57.438 58.200 -0.408 0.000 0.999 576 S CB 0.843 63.609 63.200 -0.723 0.000 1.039 576 S HN 0.406 nan 8.310 nan 0.000 0.548 577 L N 2.618 123.500 121.223 -0.568 0.000 2.301 577 L HA 0.546 4.886 4.340 -0.000 0.000 0.278 577 L C -1.690 174.922 176.870 -0.429 0.000 1.022 577 L CA -0.089 54.504 54.840 -0.412 0.000 0.854 577 L CB -0.511 41.314 42.059 -0.390 0.000 1.226 577 L HN 0.405 nan 8.230 nan 0.000 0.429 578 F N 4.551 124.496 119.950 -0.008 0.000 2.440 578 F HA 0.607 5.134 4.527 -0.000 0.000 0.328 578 F C -0.151 175.693 175.800 0.074 0.000 1.070 578 F CA -0.706 57.316 58.000 0.036 0.000 1.011 578 F CB 1.406 40.427 39.000 0.035 0.000 1.226 578 F HN 0.139 nan 8.300 nan 0.000 0.491 579 L N 1.824 123.274 121.223 0.379 0.000 2.427 579 L HA 0.353 4.693 4.340 -0.000 0.000 0.264 579 L C -0.762 176.331 176.870 0.371 0.000 0.989 579 L CA -0.145 54.903 54.840 0.347 0.000 0.865 579 L CB 1.445 43.699 42.059 0.326 0.000 1.209 579 L HN 0.470 nan 8.230 nan 0.000 0.430 580 S N 4.811 120.673 115.700 0.269 0.000 2.420 580 S HA 0.476 4.946 4.470 -0.000 0.000 0.313 580 S C -2.484 172.171 174.600 0.092 0.000 1.079 580 S CA -1.050 57.240 58.200 0.151 0.000 1.104 580 S CB 1.069 64.305 63.200 0.060 0.000 0.969 580 S HN 0.288 nan 8.310 nan 0.000 0.471 581 P HA 0.323 nan 4.420 nan 0.000 0.301 581 P C -0.995 176.163 177.300 -0.236 0.000 1.338 581 P CA -0.595 62.286 63.100 -0.366 0.000 0.834 581 P CB 1.321 32.689 31.700 -0.553 0.000 0.967 582 V N 6.396 126.173 119.914 -0.228 0.000 2.320 582 V HA 0.191 4.311 4.120 -0.000 0.000 0.265 582 V C 1.082 177.099 176.094 -0.128 0.000 1.048 582 V CA -0.675 61.548 62.300 -0.129 0.000 0.865 582 V CB 0.535 32.313 31.823 -0.075 0.000 1.043 582 V HN 0.563 nan 8.190 nan 0.000 0.474 583 I N 5.844 126.353 120.570 -0.102 0.000 2.588 583 I HA 0.131 4.301 4.170 -0.000 0.000 0.283 583 I C 0.995 177.092 176.117 -0.033 0.000 1.119 583 I CA -0.091 61.169 61.300 -0.067 0.000 1.419 583 I CB 0.530 38.505 38.000 -0.042 0.000 1.394 583 I HN 0.783 nan 8.210 nan 0.000 0.562 584 M N 6.047 125.639 119.600 -0.013 0.000 2.576 584 M HA -0.330 4.150 4.480 -0.000 0.000 0.200 584 M C 0.593 176.895 176.300 0.003 0.000 0.487 584 M CA 1.047 56.350 55.300 0.005 0.000 0.553 584 M CB -2.151 30.454 32.600 0.008 0.000 2.042 584 M HN 0.882 nan 8.290 nan 0.000 0.758 585 N N -0.747 117.950 118.700 -0.005 0.000 2.644 585 N HA -0.261 4.479 4.740 -0.000 0.000 0.248 585 N C -0.385 175.126 175.510 0.001 0.000 1.150 585 N CA 1.511 54.562 53.050 0.003 0.000 0.727 585 N CB -0.645 37.856 38.487 0.024 0.000 1.091 585 N HN 0.814 nan 8.380 nan 0.000 0.556 586 K N -0.373 120.021 120.400 -0.009 0.000 2.426 586 K HA 0.606 4.926 4.320 -0.000 0.000 0.254 586 K C -0.258 176.329 176.600 -0.023 0.000 0.936 586 K CA -0.988 55.292 56.287 -0.011 0.000 0.801 586 K CB 1.302 33.798 32.500 -0.006 0.000 1.139 586 K HN 0.143 nan 8.250 nan 0.000 0.424 587 c N 0.726 119.309 118.600 -0.028 0.000 2.365 587 c HA 0.743 5.313 4.570 -0.000 0.000 0.349 587 c C 0.624 174.693 174.090 -0.036 0.000 1.191 587 c CA -0.830 55.477 56.329 -0.038 0.000 2.114 587 c CB 0.637 43.120 42.510 -0.046 0.000 2.367 587 c HN 0.913 nan 8.230 nan 0.000 0.530 588 S N 1.619 117.295 115.700 -0.040 0.000 2.672 588 S HA 0.444 4.914 4.470 -0.000 0.000 0.276 588 S C -0.402 174.173 174.600 -0.042 0.000 1.207 588 S CA -0.608 57.570 58.200 -0.037 0.000 1.002 588 S CB 0.533 63.710 63.200 -0.037 0.000 0.998 588 S HN 0.928 nan 8.310 nan 0.000 0.542 589 Q N 0.686 120.463 119.800 -0.038 0.000 2.286 589 Q HA 0.506 4.846 4.340 -0.000 0.000 0.267 589 Q C 0.533 176.507 176.000 -0.045 0.000 1.028 589 Q CA -0.300 55.478 55.803 -0.040 0.000 0.901 589 Q CB -0.145 28.573 28.738 -0.034 0.000 1.183 589 Q HN 1.447 nan 8.270 nan 0.000 0.392 590 G N 1.097 109.867 108.800 -0.051 0.000 2.705 590 G HA2 0.076 4.036 3.960 -0.000 0.000 0.686 590 G HA3 0.076 4.036 3.960 -0.000 0.000 0.686 590 G C -0.450 174.411 174.900 -0.065 0.000 1.285 590 G CA -0.541 44.526 45.100 -0.056 0.000 0.800 590 G HN 1.062 nan 8.290 nan 0.000 0.611 591 A N 0.695 123.470 122.820 -0.075 0.000 2.267 591 A HA 0.831 5.151 4.320 -0.000 0.000 0.271 591 A C 1.194 178.724 177.584 -0.089 0.000 1.131 591 A CA 0.327 52.309 52.037 -0.092 0.000 0.818 591 A CB 0.352 19.283 19.000 -0.114 0.000 1.118 591 A HN 2.081 nan 8.150 nan 0.000 0.501 592 V N 0.034 119.885 119.914 -0.105 0.000 3.287 592 V HA 0.362 4.482 4.120 -0.000 0.000 0.306 592 V C 1.334 177.375 176.094 -0.089 0.000 1.103 592 V CA -0.033 62.208 62.300 -0.098 0.000 1.159 592 V CB 0.027 31.779 31.823 -0.117 0.000 1.036 592 V HN 1.173 nan 8.190 nan 0.000 0.487 593 A N 2.144 124.920 122.820 -0.074 0.000 2.364 593 A HA 0.535 4.855 4.320 -0.000 0.000 0.258 593 A C 1.028 178.575 177.584 -0.062 0.000 1.131 593 A CA 0.280 52.281 52.037 -0.060 0.000 0.800 593 A CB -0.598 18.373 19.000 -0.048 0.000 1.086 593 A HN 1.330 nan 8.150 nan 0.000 0.508 594 G N -1.783 106.989 108.800 -0.047 0.000 2.664 594 G HA2 0.427 4.387 3.960 -0.000 0.000 0.242 594 G HA3 0.427 4.387 3.960 -0.000 0.000 0.242 594 G C -0.059 174.822 174.900 -0.031 0.000 1.225 594 G CA 0.851 45.928 45.100 -0.038 0.000 0.849 594 G HN 1.353 nan 8.290 nan 0.000 0.581 595 E N -0.523 119.668 120.200 -0.015 0.000 6.993 595 E HA -0.127 4.223 4.350 -0.000 0.000 0.276 595 E C -2.323 174.274 176.600 -0.005 0.000 1.113 595 E CA 0.141 56.543 56.400 0.002 0.000 1.400 595 E CB -0.678 29.022 29.700 0.000 0.000 0.936 595 E HN 0.401 nan 8.360 nan 0.000 0.285 596 P HA 0.186 nan 4.420 nan 0.000 0.274 596 P C -0.545 176.760 177.300 0.009 0.000 1.246 596 P CA -0.399 62.717 63.100 0.025 0.000 0.795 596 P CB 0.556 32.353 31.700 0.160 0.000 1.006 597 R N 1.692 122.153 120.500 -0.066 0.000 2.340 597 R HA 0.133 4.473 4.340 -0.000 0.000 0.300 597 R C -0.056 176.304 176.300 0.101 0.000 1.069 597 R CA -0.197 55.862 56.100 -0.068 0.000 0.984 597 R CB 0.338 30.457 30.300 -0.302 0.000 1.003 597 R HN 0.501 nan 8.270 nan 0.000 0.459 598 Q N 3.938 123.817 119.800 0.132 0.000 2.293 598 Q HA 0.200 4.540 4.340 -0.000 0.000 0.251 598 Q C -0.170 175.969 176.000 0.232 0.000 0.930 598 Q CA -0.297 55.606 55.803 0.166 0.000 0.893 598 Q CB 1.452 30.246 28.738 0.093 0.000 1.215 598 Q HN 0.536 nan 8.270 nan 0.000 0.425 599 I N 5.116 125.801 120.570 0.192 0.000 2.494 599 I HA 0.065 4.235 4.170 -0.000 0.000 0.289 599 I C -1.660 174.488 176.117 0.052 0.000 1.106 599 I CA -1.559 59.798 61.300 0.095 0.000 1.369 599 I CB -0.069 37.937 38.000 0.009 0.000 1.410 599 I HN 0.348 nan 8.210 nan 0.000 0.523 600 P HA 0.144 nan 4.420 nan 0.000 0.275 600 P C -1.053 176.242 177.300 -0.007 0.000 1.227 600 P CA -0.415 62.700 63.100 0.025 0.000 0.781 600 P CB 0.775 32.496 31.700 0.036 0.000 0.906 601 K N 2.920 123.307 120.400 -0.021 0.000 2.156 601 K HA 0.569 4.889 4.320 -0.000 0.000 0.271 601 K C 0.008 176.565 176.600 -0.072 0.000 0.995 601 K CA -0.621 55.642 56.287 -0.040 0.000 0.890 601 K CB 1.135 33.611 32.500 -0.038 0.000 1.073 601 K HN 0.459 nan 8.250 nan 0.000 0.454 602 I N 1.977 122.487 120.570 -0.099 0.000 2.608 602 I HA 0.152 4.322 4.170 -0.000 0.000 0.295 602 I C 0.298 176.284 176.117 -0.218 0.000 1.049 602 I CA -0.492 60.706 61.300 -0.171 0.000 1.063 602 I CB 2.139 40.014 38.000 -0.210 0.000 1.248 602 I HN 0.616 nan 8.210 nan 0.000 0.424 603 Q N 2.537 122.190 119.800 -0.245 0.000 2.103 603 Q HA 0.201 4.541 4.340 -0.000 0.000 0.219 603 Q C 0.953 176.813 176.000 -0.233 0.000 0.784 603 Q CA -0.239 55.415 55.803 -0.248 0.000 1.014 603 Q CB 0.769 29.385 28.738 -0.203 0.000 1.183 603 Q HN 0.582 nan 8.270 nan 0.000 0.469 604 N N 0.953 119.457 118.700 -0.327 0.000 2.022 604 N HA -0.078 4.662 4.740 -0.000 0.000 0.194 604 N C 0.214 175.613 175.510 -0.186 0.000 1.057 604 N CA 1.047 53.908 53.050 -0.315 0.000 0.849 604 N CB -0.178 38.026 38.487 -0.472 0.000 1.044 604 N HN 0.075 nan 8.380 nan 0.000 0.424 605 F N 1.517 121.476 119.950 0.015 0.000 2.623 605 F HA -0.058 4.469 4.527 -0.000 0.000 0.381 605 F C 1.450 177.251 175.800 0.002 0.000 1.081 605 F CA -0.206 57.823 58.000 0.048 0.000 1.293 605 F CB -0.611 38.499 39.000 0.183 0.000 1.006 605 F HN -0.031 nan 8.300 nan 0.000 0.578 606 T N 0.993 115.669 114.554 0.203 0.000 2.943 606 T HA 0.482 4.832 4.350 -0.000 0.000 0.284 606 T C 1.176 175.930 174.700 0.089 0.000 1.015 606 T CA -1.065 61.093 62.100 0.096 0.000 1.042 606 T CB 1.733 70.635 68.868 0.058 0.000 1.055 606 T HN 0.545 nan 8.240 nan 0.000 0.500 607 R N 0.857 121.395 120.500 0.062 0.000 2.096 607 R HA -0.028 4.312 4.340 -0.000 0.000 0.229 607 R C 0.736 177.061 176.300 0.041 0.000 1.134 607 R CA 1.210 57.346 56.100 0.061 0.000 0.917 607 R CB -1.378 28.957 30.300 0.059 0.000 0.832 607 R HN 0.666 nan 8.270 nan 0.000 0.430 608 T N 2.712 117.281 114.554 0.024 0.000 2.871 608 T HA 0.023 4.373 4.350 -0.000 0.000 0.296 608 T C 0.116 174.805 174.700 -0.018 0.000 0.998 608 T CA 0.382 62.484 62.100 0.003 0.000 1.162 608 T CB 0.628 69.497 68.868 0.001 0.000 0.947 608 T HN 0.090 nan 8.240 nan 0.000 0.536 609 Q N 2.056 121.829 119.800 -0.045 0.000 2.323 609 Q HA 0.314 4.654 4.340 -0.000 0.000 0.271 609 Q C 0.667 176.613 176.000 -0.089 0.000 1.048 609 Q CA -0.661 55.089 55.803 -0.089 0.000 0.792 609 Q CB 2.486 31.127 28.738 -0.161 0.000 1.280 609 Q HN 0.654 nan 8.270 nan 0.000 0.441 610 K N 1.123 121.472 120.400 -0.086 0.000 1.975 610 K HA -0.008 4.312 4.320 -0.000 0.000 0.210 610 K C 0.813 177.355 176.600 -0.097 0.000 1.041 610 K CA 1.209 57.451 56.287 -0.076 0.000 0.942 610 K CB 0.114 32.577 32.500 -0.061 0.000 0.729 610 K HN 0.697 nan 8.250 nan 0.000 0.439 611 S N -0.582 115.047 115.700 -0.118 0.000 2.694 611 S HA 0.112 4.582 4.470 -0.000 0.000 0.278 611 S C 0.073 174.557 174.600 -0.193 0.000 1.152 611 S CA -0.993 57.126 58.200 -0.135 0.000 1.010 611 S CB 1.353 64.480 63.200 -0.122 0.000 1.104 611 S HN 0.383 nan 8.310 nan 0.000 0.547 612 C N 2.055 121.235 119.300 -0.200 0.000 2.262 612 C HA 0.438 4.898 4.460 -0.000 0.000 0.413 612 C C 1.633 176.415 174.990 -0.348 0.000 1.019 612 C CA -0.864 58.001 59.018 -0.255 0.000 1.320 612 C CB -2.910 24.705 27.740 -0.208 0.000 1.657 612 C HN 0.761 nan 8.230 nan 0.000 0.510 613 I N 2.729 123.001 120.570 -0.496 0.000 2.072 613 I HA -0.070 4.100 4.170 -0.000 0.000 0.235 613 I C 0.745 176.493 176.117 -0.616 0.000 1.058 613 I CA 1.509 62.437 61.300 -0.620 0.000 1.320 613 I CB -0.452 36.929 38.000 -1.031 0.000 1.047 613 I HN 0.415 nan 8.210 nan 0.000 0.397 614 F N 0.817 120.584 119.950 -0.304 0.000 2.640 614 F HA 0.170 4.697 4.527 -0.000 0.000 0.354 614 F C 1.132 176.675 175.800 -0.428 0.000 1.213 614 F CA -0.726 57.090 58.000 -0.307 0.000 1.314 614 F CB -1.035 37.982 39.000 0.029 0.000 1.679 614 F HN 0.106 nan 8.300 nan 0.000 0.622 615 C N 0.687 119.644 119.300 -0.572 0.000 3.529 615 C HA 0.191 4.651 4.460 -0.000 0.000 0.288 615 C C 2.821 177.606 174.990 -0.341 0.000 1.353 615 C CA 1.191 59.972 59.018 -0.395 0.000 1.705 615 C CB -0.770 26.763 27.740 -0.345 0.000 2.156 615 C HN 0.827 nan 8.230 nan 0.000 0.555 616 G N 0.167 108.782 108.800 -0.309 0.000 3.094 616 G HA2 0.132 4.092 3.960 -0.000 0.000 0.208 616 G HA3 0.132 4.092 3.960 -0.000 0.000 0.208 616 G C 0.301 175.478 174.900 0.461 0.000 1.189 616 G CA 0.251 45.392 45.100 0.069 0.000 0.856 616 G HN 0.297 nan 8.290 nan 0.000 0.510 617 F N 0.189 120.255 119.950 0.193 0.000 2.377 617 F HA 0.807 5.334 4.527 -0.000 0.000 0.335 617 F C 0.520 176.488 175.800 0.280 0.000 1.099 617 F CA -2.298 55.844 58.000 0.237 0.000 1.072 617 F CB 0.953 40.062 39.000 0.182 0.000 1.417 617 F HN 0.063 nan 8.300 nan 0.000 0.495 618 A N 0.387 123.461 122.820 0.423 0.000 2.539 618 A HA 0.758 5.078 4.320 -0.000 0.000 0.296 618 A C -1.640 176.035 177.584 0.151 0.000 1.073 618 A CA -0.636 51.588 52.037 0.311 0.000 0.700 618 A CB 1.426 20.604 19.000 0.297 0.000 1.296 618 A HN 0.641 nan 8.150 nan 0.000 0.405 619 L N 1.215 122.530 121.223 0.154 0.000 2.325 619 L HA 0.680 5.020 4.340 -0.000 0.000 0.278 619 L C -1.203 175.757 176.870 0.149 0.000 1.023 619 L CA -0.900 54.032 54.840 0.152 0.000 0.811 619 L CB 1.793 43.978 42.059 0.209 0.000 1.249 619 L HN 0.628 nan 8.230 nan 0.000 0.431 620 L N 2.984 124.284 121.223 0.128 0.000 2.446 620 L HA 0.414 4.754 4.340 -0.000 0.000 0.268 620 L C -0.332 176.591 176.870 0.089 0.000 0.975 620 L CA -0.066 54.833 54.840 0.099 0.000 0.848 620 L CB 1.870 43.959 42.059 0.051 0.000 1.225 620 L HN 0.608 nan 8.230 nan 0.000 0.410 621 S N 3.654 119.353 115.700 -0.002 0.000 2.451 621 S HA 0.795 5.265 4.470 -0.000 0.000 0.301 621 S C -0.782 173.737 174.600 -0.135 0.000 1.116 621 S CA -0.528 57.523 58.200 -0.247 0.000 1.093 621 S CB 1.202 64.079 63.200 -0.537 0.000 1.017 621 S HN 0.549 nan 8.310 nan 0.000 0.482 622 Y N -0.588 119.592 120.300 -0.200 0.000 2.477 622 Y HA 0.741 5.291 4.550 -0.000 0.000 0.347 622 Y C -0.855 174.952 175.900 -0.155 0.000 0.981 622 Y CA -1.373 56.649 58.100 -0.131 0.000 1.033 622 Y CB 0.818 39.246 38.460 -0.054 0.000 1.245 622 Y HN 0.626 nan 8.280 nan 0.000 0.455 623 D N 2.056 122.446 120.400 -0.017 0.000 2.256 623 D HA 0.163 4.803 4.640 -0.000 0.000 0.250 623 D C 0.784 177.111 176.300 0.044 0.000 1.093 623 D CA -0.163 53.768 54.000 -0.114 0.000 0.882 623 D CB 1.443 42.159 40.800 -0.141 0.000 1.185 623 D HN 0.826 nan 8.370 nan 0.000 0.437 624 E N 1.813 121.984 120.200 -0.047 0.000 2.058 624 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 624 E C 1.260 177.781 176.600 -0.132 0.000 0.997 624 E CA 1.350 57.764 56.400 0.024 0.000 0.801 624 E CB 0.282 29.930 29.700 -0.085 0.000 0.746 624 E HN 0.430 nan 8.360 nan 0.000 0.450 625 K N 0.185 120.384 120.400 -0.335 0.000 2.005 625 K HA -0.033 4.287 4.320 -0.000 0.000 0.206 625 K C 1.013 177.561 176.600 -0.086 0.000 1.044 625 K CA 0.712 56.827 56.287 -0.287 0.000 0.942 625 K CB 0.015 32.277 32.500 -0.398 0.000 0.727 625 K HN -0.046 nan 8.250 nan 0.000 0.439 626 E N -0.387 119.754 120.200 -0.098 0.000 2.622 626 E HA 0.156 4.506 4.350 -0.000 0.000 0.255 626 E C 0.641 177.240 176.600 -0.001 0.000 1.313 626 E CA -0.008 56.364 56.400 -0.046 0.000 1.011 626 E CB 0.343 30.002 29.700 -0.068 0.000 1.173 626 E HN 0.239 nan 8.360 nan 0.000 0.601 627 G N -0.302 108.499 108.800 0.003 0.000 2.711 627 G HA2 0.151 4.111 3.960 -0.000 0.000 0.186 627 G HA3 0.151 4.111 3.960 -0.000 0.000 0.186 627 G C -0.454 174.470 174.900 0.040 0.000 1.635 627 G CA -0.479 44.632 45.100 0.019 0.000 1.065 627 G HN 0.309 nan 8.290 nan 0.000 0.545 628 L N 0.721 121.965 121.223 0.034 0.000 2.305 628 L HA 0.280 4.620 4.340 -0.000 0.000 0.281 628 L C 1.179 178.053 176.870 0.007 0.000 1.085 628 L CA -0.684 54.184 54.840 0.048 0.000 0.813 628 L CB 1.465 43.548 42.059 0.041 0.000 1.157 628 L HN 0.474 nan 8.230 nan 0.000 0.436 629 E N 1.802 121.991 120.200 -0.018 0.000 2.025 629 E HA 0.052 4.402 4.350 -0.000 0.000 0.198 629 E C 0.522 177.093 176.600 -0.048 0.000 0.955 629 E CA 0.918 57.278 56.400 -0.067 0.000 0.862 629 E CB 0.135 29.750 29.700 -0.142 0.000 0.837 629 E HN 0.722 nan 8.360 nan 0.000 0.488 630 T N -1.684 112.843 114.554 -0.045 0.000 2.907 630 T HA 0.526 4.876 4.350 -0.000 0.000 0.292 630 T C -0.320 174.423 174.700 0.071 0.000 1.043 630 T CA -0.769 61.340 62.100 0.015 0.000 1.003 630 T CB 2.280 71.172 68.868 0.040 0.000 1.084 630 T HN 0.029 nan 8.240 nan 0.000 0.483 631 T N 1.069 115.678 114.554 0.091 0.000 2.887 631 T HA 0.708 5.058 4.350 -0.000 0.000 0.288 631 T C -1.108 173.680 174.700 0.147 0.000 1.021 631 T CA -0.327 61.841 62.100 0.114 0.000 1.000 631 T CB 1.462 70.370 68.868 0.068 0.000 1.034 631 T HN 0.893 nan 8.240 nan 0.000 0.467 632 T N 3.676 118.335 114.554 0.175 0.000 2.916 632 T HA 0.397 4.747 4.350 -0.000 0.000 0.298 632 T C -1.779 173.090 174.700 0.281 0.000 1.031 632 T CA -0.473 61.746 62.100 0.197 0.000 0.993 632 T CB 1.081 69.972 68.868 0.039 0.000 1.045 632 T HN 0.606 nan 8.240 nan 0.000 0.454 633 Y N 3.453 123.891 120.300 0.229 0.000 2.402 633 Y HA 0.531 5.081 4.550 -0.000 0.000 0.332 633 Y C -0.140 175.888 175.900 0.214 0.000 0.960 633 Y CA -1.197 57.037 58.100 0.223 0.000 1.228 633 Y CB 0.392 38.987 38.460 0.226 0.000 1.120 633 Y HN 0.599 nan 8.280 nan 0.000 0.491 634 I N 7.384 127.852 120.570 -0.170 0.000 2.455 634 I HA -0.059 4.111 4.170 -0.000 0.000 0.303 634 I C 1.450 177.274 176.117 -0.488 0.000 1.180 634 I CA 0.273 61.413 61.300 -0.266 0.000 1.469 634 I CB 0.144 38.067 38.000 -0.128 0.000 1.480 634 I HN 0.793 nan 8.210 nan 0.000 0.669 635 T N 1.615 115.894 114.554 -0.458 0.000 2.622 635 T HA -0.126 4.224 4.350 -0.000 0.000 0.266 635 T C 0.935 175.476 174.700 -0.264 0.000 1.047 635 T CA 1.298 63.174 62.100 -0.373 0.000 1.159 635 T CB -0.128 68.627 68.868 -0.187 0.000 0.863 635 T HN 0.616 nan 8.240 nan 0.000 0.422 636 S N -0.624 114.941 115.700 -0.226 0.000 2.806 636 S HA 0.538 5.008 4.470 -0.000 0.000 0.306 636 S C 0.749 175.250 174.600 -0.164 0.000 1.167 636 S CA -0.446 57.652 58.200 -0.169 0.000 0.847 636 S CB 1.842 64.970 63.200 -0.121 0.000 1.216 636 S HN 0.222 nan 8.310 nan 0.000 0.532 637 Q N 1.469 121.188 119.800 -0.136 0.000 2.014 637 Q HA -0.233 4.107 4.340 -0.000 0.000 0.207 637 Q C 1.931 177.861 176.000 -0.116 0.000 0.993 637 Q CA 2.928 58.656 55.803 -0.125 0.000 0.850 637 Q CB -0.881 27.794 28.738 -0.105 0.000 0.916 637 Q HN 0.903 nan 8.270 nan 0.000 0.417 638 E N -1.038 119.097 120.200 -0.109 0.000 2.114 638 E HA -0.236 4.114 4.350 -0.000 0.000 0.199 638 E C 1.827 178.352 176.600 -0.124 0.000 1.008 638 E CA 1.929 58.267 56.400 -0.104 0.000 0.810 638 E CB -0.596 29.044 29.700 -0.099 0.000 0.739 638 E HN 0.288 nan 8.360 nan 0.000 0.456 639 V N 1.374 121.190 119.914 -0.163 0.000 2.307 639 V HA -0.298 3.822 4.120 -0.000 0.000 0.245 639 V C 2.757 178.764 176.094 -0.146 0.000 1.045 639 V CA 2.213 64.394 62.300 -0.198 0.000 1.024 639 V CB -0.940 30.706 31.823 -0.296 0.000 0.651 639 V HN 0.338 nan 8.190 nan 0.000 0.449 640 Q N 0.332 120.060 119.800 -0.120 0.000 2.135 640 Q HA -0.243 4.097 4.340 -0.000 0.000 0.204 640 Q C 2.138 178.121 176.000 -0.028 0.000 0.981 640 Q CA 1.997 57.766 55.803 -0.056 0.000 0.856 640 Q CB -0.138 28.558 28.738 -0.070 0.000 0.902 640 Q HN 0.694 nan 8.270 nan 0.000 0.425 641 N N 0.261 118.930 118.700 -0.053 0.000 2.142 641 N HA -0.107 4.633 4.740 -0.000 0.000 0.186 641 N C 1.648 177.146 175.510 -0.020 0.000 1.023 641 N CA 1.501 54.532 53.050 -0.032 0.000 0.852 641 N CB -0.188 38.272 38.487 -0.047 0.000 0.998 641 N HN 0.306 nan 8.380 nan 0.000 0.424 642 S N -0.026 115.644 115.700 -0.049 0.000 2.803 642 S HA 0.147 4.617 4.470 -0.000 0.000 0.226 642 S C 1.507 176.085 174.600 -0.036 0.000 0.962 642 S CA 0.181 58.354 58.200 -0.045 0.000 0.968 642 S CB -0.384 62.770 63.200 -0.075 0.000 0.786 642 S HN 0.256 nan 8.310 nan 0.000 0.527 643 I N -0.848 119.711 120.570 -0.017 0.000 4.228 643 I HA 0.185 4.355 4.170 -0.000 0.000 0.298 643 I C 1.602 177.822 176.117 0.172 0.000 1.206 643 I CA 0.131 61.420 61.300 -0.017 0.000 1.322 643 I CB 0.077 37.983 38.000 -0.157 0.000 1.411 643 I HN 0.201 nan 8.210 nan 0.000 0.454 644 L N 0.861 122.197 121.223 0.189 0.000 2.313 644 L HA -0.023 4.317 4.340 -0.000 0.000 0.214 644 L C 2.573 179.533 176.870 0.150 0.000 1.119 644 L CA 1.163 56.144 54.840 0.236 0.000 0.809 644 L CB -0.473 41.688 42.059 0.170 0.000 0.933 644 L HN 0.313 nan 8.230 nan 0.000 0.449 645 S N -0.868 114.889 115.700 0.095 0.000 2.387 645 S HA -0.013 4.457 4.470 -0.000 0.000 0.221 645 S C 1.368 176.008 174.600 0.066 0.000 1.041 645 S CA 0.225 58.462 58.200 0.062 0.000 0.959 645 S CB -0.472 62.746 63.200 0.030 0.000 0.843 645 S HN 0.429 nan 8.310 nan 0.000 0.488 646 S N 2.360 118.102 115.700 0.070 0.000 2.634 646 S HA 0.253 4.723 4.470 -0.000 0.000 0.254 646 S C 0.280 174.931 174.600 0.084 0.000 1.299 646 S CA -0.600 57.639 58.200 0.066 0.000 0.974 646 S CB -0.211 63.028 63.200 0.066 0.000 1.001 646 S HN 0.426 nan 8.310 nan 0.000 0.584 647 N N 0.360 119.092 118.700 0.053 0.000 2.597 647 N HA 0.096 4.836 4.740 -0.000 0.000 0.269 647 N C 0.183 175.683 175.510 -0.016 0.000 1.204 647 N CA -0.014 53.044 53.050 0.013 0.000 0.947 647 N CB -0.362 38.114 38.487 -0.019 0.000 1.258 647 N HN 0.701 nan 8.380 nan 0.000 0.508 648 Y N 0.534 120.763 120.300 -0.118 0.000 2.274 648 Y HA -0.050 4.500 4.550 -0.000 0.000 0.290 648 Y C -0.020 175.596 175.900 -0.474 0.000 1.145 648 Y CA 1.145 59.088 58.100 -0.261 0.000 1.203 648 Y CB -0.003 38.255 38.460 -0.336 0.000 0.984 648 Y HN -0.087 nan 8.280 nan 0.000 0.533 649 F N 0.428 120.144 119.950 -0.390 0.000 2.399 649 F HA 0.349 4.876 4.527 -0.000 0.000 0.328 649 F C -0.089 175.212 175.800 -0.831 0.000 1.084 649 F CA -0.721 56.687 58.000 -0.987 0.000 1.053 649 F CB 1.125 39.459 39.000 -1.111 0.000 1.209 649 F HN -0.181 nan 8.300 nan 0.000 0.502 650 D N 1.590 121.572 120.400 -0.697 0.000 2.934 650 D HA 0.155 4.795 4.640 -0.000 0.000 0.249 650 D C -0.049 176.143 176.300 -0.181 0.000 1.293 650 D CA -0.236 53.554 54.000 -0.350 0.000 0.812 650 D CB -0.293 40.438 40.800 -0.115 0.000 1.439 650 D HN 0.176 nan 8.370 nan 0.000 0.555 651 F N 0.097 120.080 119.950 0.056 0.000 2.451 651 F HA 0.075 4.602 4.527 -0.000 0.000 0.299 651 F C 1.677 177.497 175.800 0.033 0.000 1.101 651 F CA 0.307 58.349 58.000 0.069 0.000 1.436 651 F CB -0.140 38.872 39.000 0.019 0.000 1.074 651 F HN 0.200 nan 8.300 nan 0.000 0.553 652 D N 0.681 121.149 120.400 0.112 0.000 2.663 652 D HA -0.022 4.618 4.640 -0.000 0.000 0.243 652 D C 0.045 176.347 176.300 0.005 0.000 1.218 652 D CA 0.370 54.403 54.000 0.055 0.000 0.846 652 D CB -0.488 40.328 40.800 0.026 0.000 1.014 652 D HN 0.165 nan 8.370 nan 0.000 0.476 653 N N 1.448 120.151 118.700 0.005 0.000 2.594 653 N HA 0.009 4.749 4.740 -0.000 0.000 0.280 653 N C 0.834 176.273 175.510 -0.118 0.000 1.156 653 N CA -0.436 52.576 53.050 -0.064 0.000 0.831 653 N CB 1.041 39.496 38.487 -0.054 0.000 1.379 653 N HN -0.141 nan 8.380 nan 0.000 0.536 654 L N 2.381 123.491 121.223 -0.188 0.000 2.191 654 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 654 L C 1.738 178.403 176.870 -0.341 0.000 1.103 654 L CA 1.301 56.008 54.840 -0.221 0.000 0.769 654 L CB -0.879 41.048 42.059 -0.219 0.000 0.908 654 L HN 0.598 nan 8.230 nan 0.000 0.438 655 H N -0.825 118.086 119.070 -0.265 0.000 2.389 655 H HA 0.073 4.629 4.556 -0.000 0.000 0.299 655 H C 0.573 175.595 175.328 -0.510 0.000 1.081 655 H CA 0.347 56.191 56.048 -0.339 0.000 1.345 655 H CB -0.023 29.585 29.762 -0.256 0.000 1.393 655 H HN 0.040 nan 8.280 nan 0.000 0.520 656 V N 2.431 122.110 119.914 -0.390 0.000 2.481 656 V HA 0.174 4.294 4.120 -0.000 0.000 0.286 656 V C 0.137 175.781 176.094 -0.749 0.000 1.042 656 V CA -0.568 61.393 62.300 -0.565 0.000 0.928 656 V CB 1.876 33.435 31.823 -0.440 0.000 0.986 656 V HN 0.340 nan 8.190 nan 0.000 0.462 657 H N 2.710 121.344 119.070 -0.726 0.000 2.679 657 H HA 0.549 5.105 4.556 -0.000 0.000 0.367 657 H C -1.553 173.358 175.328 -0.695 0.000 1.162 657 H CA -0.596 55.096 56.048 -0.593 0.000 1.181 657 H CB 1.925 31.202 29.762 -0.808 0.000 1.693 657 H HN 0.571 nan 8.280 nan 0.000 0.538 658 Y N 1.345 121.695 120.300 0.083 0.000 2.326 658 Y HA 0.275 4.825 4.550 -0.000 0.000 0.331 658 Y C -0.462 175.532 175.900 0.157 0.000 0.962 658 Y CA -0.740 57.446 58.100 0.144 0.000 1.167 658 Y CB 1.244 39.928 38.460 0.374 0.000 1.148 658 Y HN 0.245 nan 8.280 nan 0.000 0.463 659 L N 3.899 125.256 121.223 0.223 0.000 2.334 659 L HA 0.572 4.912 4.340 -0.000 0.000 0.270 659 L C -1.033 175.876 176.870 0.065 0.000 1.018 659 L CA -0.874 54.038 54.840 0.121 0.000 0.811 659 L CB 1.619 43.725 42.059 0.078 0.000 1.271 659 L HN 0.521 nan 8.230 nan 0.000 0.443 660 L N 3.019 124.217 121.223 -0.043 0.000 2.372 660 L HA 0.548 4.888 4.340 -0.000 0.000 0.274 660 L C -1.359 175.368 176.870 -0.238 0.000 0.988 660 L CA -0.151 54.625 54.840 -0.106 0.000 0.833 660 L CB 1.178 43.158 42.059 -0.131 0.000 1.236 660 L HN 0.357 nan 8.230 nan 0.000 0.410 661 L N 4.794 125.833 121.223 -0.306 0.000 2.272 661 L HA 0.579 4.919 4.340 -0.000 0.000 0.289 661 L C 0.684 177.391 176.870 -0.271 0.000 1.032 661 L CA -0.511 53.987 54.840 -0.568 0.000 0.810 661 L CB 1.381 42.741 42.059 -1.165 0.000 1.205 661 L HN 0.714 nan 8.230 nan 0.000 0.422 662 T N -2.478 111.904 114.554 -0.287 0.000 2.884 662 T HA 0.185 4.535 4.350 -0.000 0.000 0.277 662 T C 1.333 176.052 174.700 0.033 0.000 0.976 662 T CA 0.012 61.698 62.100 -0.690 0.000 0.956 662 T CB 1.298 69.556 68.868 -1.017 0.000 1.113 662 T HN 0.686 nan 8.240 nan 0.000 0.554 663 T N -0.871 113.776 114.554 0.156 0.000 2.929 663 T HA -0.020 4.330 4.350 -0.000 0.000 0.271 663 T C 0.691 175.502 174.700 0.185 0.000 1.085 663 T CA 0.342 62.635 62.100 0.322 0.000 1.125 663 T CB -0.665 68.447 68.868 0.406 0.000 0.874 663 T HN 0.606 nan 8.240 nan 0.000 0.494 664 N N 1.344 120.119 118.700 0.124 0.000 2.495 664 N HA 0.404 5.144 4.740 -0.000 0.000 0.280 664 N C 0.969 176.565 175.510 0.144 0.000 1.168 664 N CA -0.238 52.874 53.050 0.104 0.000 0.978 664 N CB 0.905 39.447 38.487 0.092 0.000 1.191 664 N HN 0.291 nan 8.380 nan 0.000 0.497 665 G N -0.214 108.640 108.800 0.091 0.000 3.229 665 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.214 665 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.214 665 G C 0.449 175.573 174.900 0.373 0.000 1.256 665 G CA 0.204 45.373 45.100 0.115 0.000 1.042 665 G HN 0.646 nan 8.290 nan 0.000 0.497 666 T N -2.513 112.237 114.554 0.327 0.000 2.907 666 T HA 0.657 5.007 4.350 -0.000 0.000 0.284 666 T C -0.524 174.214 174.700 0.064 0.000 1.004 666 T CA -0.781 61.487 62.100 0.280 0.000 1.063 666 T CB 2.577 71.534 68.868 0.149 0.000 0.992 666 T HN -0.043 nan 8.240 nan 0.000 0.483 667 V N 3.903 123.638 119.914 -0.298 0.000 2.876 667 V HA 0.750 4.870 4.120 -0.000 0.000 0.312 667 V C -0.219 175.656 176.094 -0.365 0.000 1.085 667 V CA -1.044 60.943 62.300 -0.521 0.000 0.945 667 V CB 1.789 33.033 31.823 -0.965 0.000 1.017 667 V HN 1.161 nan 8.190 nan 0.000 0.428 668 M N 1.256 120.730 119.600 -0.211 0.000 2.465 668 M HA 0.693 5.173 4.480 -0.000 0.000 0.284 668 M C -1.076 175.206 176.300 -0.031 0.000 1.212 668 M CA -0.620 54.626 55.300 -0.090 0.000 0.910 668 M CB 2.503 35.093 32.600 -0.017 0.000 1.725 668 M HN 0.620 nan 8.290 nan 0.000 0.477 669 E N 1.913 122.113 120.200 -0.000 0.000 2.242 669 E HA 0.693 5.043 4.350 -0.000 0.000 0.275 669 E C -1.636 174.998 176.600 0.057 0.000 1.002 669 E CA -0.698 55.735 56.400 0.055 0.000 0.841 669 E CB 1.588 31.306 29.700 0.031 0.000 1.109 669 E HN 0.711 nan 8.360 nan 0.000 0.394 670 I N 2.322 122.972 120.570 0.133 0.000 2.441 670 I HA 0.467 4.637 4.170 -0.000 0.000 0.295 670 I C -0.306 175.745 176.117 -0.109 0.000 0.994 670 I CA -0.593 60.724 61.300 0.027 0.000 1.144 670 I CB 1.914 39.971 38.000 0.095 0.000 1.314 670 I HN 0.590 nan 8.210 nan 0.000 0.445 671 A N 4.732 127.258 122.820 -0.489 0.000 3.339 671 A HA 0.738 5.058 4.320 -0.000 0.000 0.219 671 A C -0.043 176.905 177.584 -1.060 0.000 0.974 671 A CA 0.096 51.656 52.037 -0.795 0.000 1.050 671 A CB 0.210 19.060 19.000 -0.250 0.000 1.271 671 A HN 1.072 nan 8.150 nan 0.000 0.565 672 G N 0.000 107.830 108.800 -1.616 0.000 5.446 672 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 672 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 672 G CA 0.000 44.621 45.100 -0.798 0.000 0.502 672 G HN 0.000 nan 8.290 nan 0.000 0.925