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 1n6b_1_A DATA FIRST_RESID 27 DATA SEQUENCE GKLPPGPTPF PIIGNILQID AKDISKSLTK FSECYGPVFT VYLGMKPTVV DATA SEQUENCE LHGYEAVKEA LVDLGEEFAG RGSVPILEKV SKGLGIAFSN AKTWKEMRRF DATA SEQUENCE SLMTLRNFGM GKRSIEDRIQ EEARCLVEEL RKTNASPCDP TFILGCAPCN DATA SEQUENCE VICSVIFHNR FDYKDEEFLK LMESLHENVE LLGTPWLQVY NNFPALLDYF DATA SEQUENCE PGIHKTLLKN ADYIKNFIME KVKEHQKLLD VNNPRDFIDC FLIKMEQENN DATA SEQUENCE LEFTLESLVI AVSDLFGAGT ETTSTTLRYS LLLLLKHPEV AARVQEEIER DATA SEQUENCE VIGRHRSPCM QDRSRMPYTD AVIHEIQRFI DLLPTNLPHA VTRDVRFRNY DATA SEQUENCE FIPKGTDIIT SLTSVLHDEK AFPNPKVFDP GHFLDESGNF KKSDYFMPFS DATA SEQUENCE AGKRMCVGEG LARMELFLFL TSILQNFKLQ SLVEPKDLDI TAVVNGFVSV DATA SEQUENCE PPSYQLCFIP IH 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 27 G HA2 0.000 nan 3.960 nan 0.000 0.244 27 G HA3 0.000 4.185 3.960 0.375 0.000 0.244 27 G C 0.000 174.994 174.900 0.157 0.000 0.946 27 G CA 0.000 45.142 45.100 0.071 0.000 0.502 28 K N -0.462 120.069 120.400 0.219 0.000 4.264 28 K HA -0.131 4.414 4.320 0.375 0.000 0.718 28 K C -0.226 176.591 176.600 0.362 0.000 2.569 28 K CA 0.270 56.712 56.287 0.258 0.000 1.807 28 K CB -1.098 31.511 32.500 0.183 0.000 2.662 28 K HN 0.323 nan 8.250 nan 0.000 0.202 29 L N 3.137 124.526 121.223 0.276 0.000 2.453 29 L HA 0.396 4.961 4.340 0.375 0.000 0.261 29 L C -1.603 175.381 176.870 0.191 0.000 1.179 29 L CA -1.975 52.981 54.840 0.193 0.000 0.813 29 L CB 0.371 42.491 42.059 0.101 0.000 1.110 29 L HN 0.604 nan 8.230 nan 0.000 0.466 30 P HA 0.113 nan 4.420 nan 0.000 0.270 30 P C -2.359 174.925 177.300 -0.028 0.000 1.223 30 P CA -0.685 62.155 63.100 -0.433 0.000 0.785 30 P CB 0.073 31.334 31.700 -0.732 0.000 0.923 31 P HA 0.338 nan 4.420 nan 0.000 0.310 31 P C -0.012 177.236 177.300 -0.087 0.000 1.309 31 P CA 0.232 63.410 63.100 0.130 0.000 0.753 31 P CB 0.020 31.917 31.700 0.328 0.000 1.491 32 G N -2.896 105.602 108.800 -0.504 0.000 2.361 32 G HA2 0.089 4.274 3.960 0.375 0.000 0.331 32 G HA3 0.089 4.274 3.960 0.375 0.000 0.331 32 G C -3.218 171.088 174.900 -0.989 0.000 1.324 32 G CA -0.969 43.487 45.100 -1.073 0.000 0.984 32 G HN 0.225 nan 8.290 nan 0.000 0.586 33 P HA 0.249 nan 4.420 nan 0.000 0.256 33 P C 0.655 177.859 177.300 -0.160 0.000 1.189 33 P CA 0.616 63.448 63.100 -0.446 0.000 0.808 33 P CB 0.382 31.726 31.700 -0.595 0.000 0.793 34 T N 6.535 121.058 114.554 -0.052 0.000 2.591 34 T HA -0.045 4.530 4.350 0.375 0.000 0.245 34 T C -1.772 172.926 174.700 -0.003 0.000 1.031 34 T CA -0.952 61.148 62.100 0.001 0.000 1.187 34 T CB -0.577 68.313 68.868 0.037 0.000 1.014 34 T HN 0.268 nan 8.240 nan 0.000 0.488 35 P HA 0.053 nan 4.420 nan 0.000 0.259 35 P C -0.361 176.854 177.300 -0.142 0.000 1.211 35 P CA -0.177 62.794 63.100 -0.214 0.000 0.810 35 P CB -0.323 30.956 31.700 -0.702 0.000 0.815 36 F N 6.964 126.849 119.950 -0.107 0.000 2.504 36 F HA 0.316 4.848 4.527 0.008 0.000 0.369 36 F C -1.989 173.756 175.800 -0.091 0.000 1.082 36 F CA -2.510 55.449 58.000 -0.069 0.000 1.216 36 F CB 0.083 39.071 39.000 -0.020 0.000 1.108 36 F HN 0.199 nan 8.300 nan 0.000 0.554 37 P HA 0.006 nan 4.420 nan 0.000 0.258 37 P C 0.007 176.818 177.300 -0.814 0.000 1.172 37 P CA 0.867 63.477 63.100 -0.818 0.000 0.762 37 P CB 0.376 31.679 31.700 -0.661 0.000 0.764 38 I N 1.930 122.286 120.570 -0.356 0.000 4.882 38 I HA -0.342 4.053 4.170 0.375 0.000 0.038 38 I C 1.091 177.219 176.117 0.018 0.000 0.635 38 I CA 1.845 63.065 61.300 -0.133 0.000 0.337 38 I CB -1.658 36.300 38.000 -0.071 0.000 0.393 38 I HN 0.500 nan 8.210 nan 0.000 0.151 39 I N 0.459 121.167 120.570 0.230 0.000 3.648 39 I HA 0.551 4.946 4.170 0.375 0.000 0.305 39 I C 1.472 177.814 176.117 0.375 0.000 1.345 39 I CA 0.366 61.859 61.300 0.322 0.000 1.325 39 I CB -0.751 37.480 38.000 0.385 0.000 1.188 39 I HN 0.754 nan 8.210 nan 0.000 0.460 40 G N 3.889 112.876 108.800 0.311 0.000 2.667 40 G HA2 -0.441 3.744 3.960 0.375 0.000 0.379 40 G HA3 -0.441 3.744 3.960 0.375 0.000 0.379 40 G C 0.484 175.559 174.900 0.291 0.000 1.236 40 G CA 1.322 46.607 45.100 0.309 0.000 0.946 40 G HN 0.733 nan 8.290 nan 0.000 0.573 41 N N 0.372 119.210 118.700 0.230 0.000 2.238 41 N HA 0.347 5.312 4.740 0.375 0.000 0.222 41 N C 1.655 177.246 175.510 0.134 0.000 1.133 41 N CA -0.188 52.961 53.050 0.165 0.000 0.854 41 N CB 0.391 38.970 38.487 0.155 0.000 1.041 41 N HN 0.343 nan 8.380 nan 0.000 0.510 42 I N 0.882 121.528 120.570 0.127 0.000 2.185 42 I HA -0.289 4.106 4.170 0.375 0.000 0.246 42 I C 1.773 177.906 176.117 0.027 0.000 1.088 42 I CA 1.445 62.794 61.300 0.080 0.000 1.347 42 I CB -0.294 37.770 38.000 0.106 0.000 1.041 42 I HN 0.314 nan 8.210 nan 0.000 0.415 43 L N -0.540 120.683 121.223 -0.000 0.000 2.376 43 L HA -0.149 4.415 4.340 0.375 0.000 0.219 43 L C 2.068 178.949 176.870 0.018 0.000 1.133 43 L CA 0.836 55.661 54.840 -0.024 0.000 0.816 43 L CB -0.443 41.566 42.059 -0.082 0.000 0.933 43 L HN 0.381 nan 8.230 nan 0.000 0.449 44 Q N -0.563 119.282 119.800 0.075 0.000 2.384 44 Q HA 0.235 4.799 4.340 0.375 0.000 0.207 44 Q C 0.324 176.451 176.000 0.212 0.000 0.904 44 Q CA 0.222 56.127 55.803 0.171 0.000 0.933 44 Q CB 0.851 29.717 28.738 0.214 0.000 1.077 44 Q HN 0.441 nan 8.270 nan 0.000 0.522 45 I N 1.015 121.646 120.570 0.100 0.000 2.498 45 I HA 0.168 4.563 4.170 0.375 0.000 0.301 45 I C -0.490 175.580 176.117 -0.078 0.000 0.984 45 I CA -0.893 60.396 61.300 -0.019 0.000 1.204 45 I CB 1.464 39.417 38.000 -0.078 0.000 1.362 45 I HN -0.112 nan 8.210 nan 0.000 0.471 46 D N 4.263 124.584 120.400 -0.132 0.000 2.454 46 D HA 0.365 5.230 4.640 0.375 0.000 0.225 46 D C 0.766 176.982 176.300 -0.141 0.000 1.081 46 D CA -0.418 53.514 54.000 -0.114 0.000 0.864 46 D CB 1.676 42.413 40.800 -0.105 0.000 1.040 46 D HN 0.602 nan 8.370 nan 0.000 0.517 47 A N 4.530 127.274 122.820 -0.127 0.000 2.032 47 A HA -0.214 4.330 4.320 0.375 0.000 0.221 47 A C 1.897 179.411 177.584 -0.116 0.000 1.165 47 A CA 1.341 53.295 52.037 -0.138 0.000 0.645 47 A CB -0.251 18.681 19.000 -0.113 0.000 0.807 47 A HN 0.597 nan 8.150 nan 0.000 0.453 48 K N -1.491 118.853 120.400 -0.092 0.000 2.296 48 K HA -0.048 4.496 4.320 0.375 0.000 0.200 48 K C -0.139 176.421 176.600 -0.068 0.000 1.048 48 K CA 1.012 57.258 56.287 -0.069 0.000 0.966 48 K CB 0.203 32.671 32.500 -0.053 0.000 0.754 48 K HN 0.346 nan 8.250 nan 0.000 0.466 49 D N 0.199 120.543 120.400 -0.093 0.000 2.934 49 D HA 0.025 4.890 4.640 0.375 0.000 0.249 49 D C 0.474 176.691 176.300 -0.138 0.000 1.293 49 D CA -0.151 53.794 54.000 -0.091 0.000 0.812 49 D CB 0.125 40.884 40.800 -0.068 0.000 1.439 49 D HN -0.129 nan 8.370 nan 0.000 0.555 50 I N 0.502 120.960 120.570 -0.186 0.000 2.335 50 I HA -0.210 4.184 4.170 0.375 0.000 0.251 50 I C 1.710 177.703 176.117 -0.205 0.000 1.129 50 I CA 1.257 62.383 61.300 -0.291 0.000 1.402 50 I CB -0.220 37.486 38.000 -0.490 0.000 1.069 50 I HN 0.185 nan 8.210 nan 0.000 0.424 51 S N 0.449 116.088 115.700 -0.102 0.000 2.382 51 S HA -0.258 4.437 4.470 0.375 0.000 0.228 51 S C 2.035 176.611 174.600 -0.041 0.000 1.027 51 S CA 1.736 59.920 58.200 -0.026 0.000 0.991 51 S CB -0.203 62.982 63.200 -0.026 0.000 0.823 51 S HN 0.463 nan 8.310 nan 0.000 0.469 52 K N 0.269 120.619 120.400 -0.084 0.000 2.209 52 K HA 0.012 4.557 4.320 0.375 0.000 0.204 52 K C 1.983 178.479 176.600 -0.174 0.000 1.048 52 K CA 1.384 57.617 56.287 -0.089 0.000 0.940 52 K CB -0.145 32.307 32.500 -0.081 0.000 0.729 52 K HN 0.259 nan 8.250 nan 0.000 0.451 53 S N 0.703 116.235 115.700 -0.280 0.000 2.406 53 S HA 0.065 4.760 4.470 0.375 0.000 0.224 53 S C 1.648 175.777 174.600 -0.784 0.000 1.030 53 S CA 0.457 58.307 58.200 -0.585 0.000 0.958 53 S CB -0.020 62.820 63.200 -0.601 0.000 0.811 53 S HN 0.248 nan 8.310 nan 0.000 0.489 54 L N 1.110 122.161 121.223 -0.287 0.000 2.191 54 L HA -0.102 4.463 4.340 0.375 0.000 0.212 54 L C 2.447 179.375 176.870 0.097 0.000 1.103 54 L CA 1.039 55.956 54.840 0.128 0.000 0.769 54 L CB -0.898 41.376 42.059 0.358 0.000 0.908 54 L HN 0.307 nan 8.230 nan 0.000 0.438 55 T N -0.898 113.646 114.554 -0.017 0.000 2.896 55 T HA -0.156 4.419 4.350 0.375 0.000 0.263 55 T C 1.936 176.549 174.700 -0.145 0.000 1.050 55 T CA 0.897 62.964 62.100 -0.054 0.000 1.140 55 T CB 0.024 68.976 68.868 0.141 0.000 0.877 55 T HN 0.209 nan 8.240 nan 0.000 0.457 56 K N 0.188 120.475 120.400 -0.189 0.000 2.280 56 K HA 0.010 4.554 4.320 0.375 0.000 0.202 56 K C 1.569 178.167 176.600 -0.003 0.000 1.047 56 K CA 1.067 57.275 56.287 -0.132 0.000 0.942 56 K CB -0.145 32.246 32.500 -0.181 0.000 0.739 56 K HN 0.444 nan 8.250 nan 0.000 0.457 57 F N -0.065 119.795 119.950 -0.151 0.000 2.473 57 F HA -0.082 4.670 4.527 0.375 0.000 0.294 57 F C 2.550 178.000 175.800 -0.582 0.000 1.103 57 F CA 0.188 58.014 58.000 -0.290 0.000 1.442 57 F CB 0.115 38.874 39.000 -0.401 0.000 1.097 57 F HN 0.127 nan 8.300 nan 0.000 0.547 58 S N 0.165 115.581 115.700 -0.472 0.000 2.423 58 S HA -0.167 4.528 4.470 0.375 0.000 0.231 58 S C 1.464 175.938 174.600 -0.211 0.000 1.014 58 S CA 0.967 58.885 58.200 -0.471 0.000 0.965 58 S CB -0.518 62.299 63.200 -0.638 0.000 0.785 58 S HN 0.432 nan 8.310 nan 0.000 0.495 59 E N 0.343 120.454 120.200 -0.148 0.000 2.110 59 E HA -0.082 4.493 4.350 0.375 0.000 0.193 59 E C 1.616 178.156 176.600 -0.101 0.000 0.988 59 E CA 1.463 57.815 56.400 -0.080 0.000 0.804 59 E CB -0.289 29.381 29.700 -0.049 0.000 0.745 59 E HN 0.650 nan 8.360 nan 0.000 0.458 60 C N -0.814 118.401 119.300 -0.142 0.000 2.799 60 C HA 0.125 4.810 4.460 0.375 0.000 0.267 60 C C 1.132 175.771 174.990 -0.586 0.000 1.257 60 C CA -0.244 58.573 59.018 -0.336 0.000 1.702 60 C CB -0.681 26.821 27.740 -0.396 0.000 1.934 60 C HN 0.422 nan 8.230 nan 0.000 0.594 61 Y N 0.372 120.581 120.300 -0.150 0.000 2.666 61 Y HA 0.440 5.215 4.550 0.374 0.000 0.260 61 Y C 1.401 177.296 175.900 -0.007 0.000 1.089 61 Y CA 0.619 58.666 58.100 -0.088 0.000 1.246 61 Y CB 0.037 38.413 38.460 -0.140 0.000 1.353 61 Y HN 0.305 nan 8.280 nan 0.000 0.558 62 G N 0.998 109.845 108.800 0.079 0.000 2.627 62 G HA2 -0.214 3.971 3.960 0.375 0.000 0.214 62 G HA3 -0.214 3.971 3.960 0.375 0.000 0.214 62 G C -2.246 172.788 174.900 0.222 0.000 1.331 62 G CA -0.502 44.683 45.100 0.142 0.000 0.891 62 G HN -0.014 nan 8.290 nan 0.000 0.539 63 P HA 0.135 nan 4.420 nan 0.000 0.217 63 P C 0.618 178.152 177.300 0.391 0.000 1.150 63 P CA 1.460 64.762 63.100 0.338 0.000 0.832 63 P CB 0.123 31.987 31.700 0.274 0.000 0.787 64 V N 0.870 120.996 119.914 0.353 0.000 2.378 64 V HA 0.463 4.807 4.120 0.375 0.000 0.288 64 V C -0.347 175.861 176.094 0.190 0.000 1.016 64 V CA -0.682 61.733 62.300 0.193 0.000 0.840 64 V CB 0.468 32.385 31.823 0.156 0.000 0.994 64 V HN -0.000 nan 8.190 nan 0.000 0.431 65 F N 1.171 121.063 119.950 -0.096 0.000 2.643 65 F HA 0.894 5.644 4.527 0.371 0.000 0.314 65 F C -0.292 175.404 175.800 -0.172 0.000 1.096 65 F CA -0.819 57.098 58.000 -0.139 0.000 0.953 65 F CB 1.854 40.810 39.000 -0.073 0.000 1.345 65 F HN 0.217 nan 8.300 nan 0.000 0.468 66 T N 1.939 116.452 114.554 -0.069 0.000 2.855 66 T HA 0.673 5.248 4.350 0.375 0.000 0.281 66 T C -0.640 173.987 174.700 -0.122 0.000 1.007 66 T CA -0.608 61.380 62.100 -0.187 0.000 1.009 66 T CB 1.751 70.515 68.868 -0.173 0.000 0.983 66 T HN 0.844 nan 8.240 nan 0.000 0.455 67 V N 0.359 120.151 119.914 -0.203 0.000 3.040 67 V HA 0.786 5.131 4.120 0.375 0.000 0.312 67 V C -1.913 174.019 176.094 -0.271 0.000 1.115 67 V CA -1.177 61.092 62.300 -0.051 0.000 0.998 67 V CB 1.602 33.551 31.823 0.210 0.000 1.042 67 V HN 0.812 nan 8.190 nan 0.000 0.433 68 Y N 1.880 122.223 120.300 0.072 0.000 2.409 68 Y HA 0.708 5.487 4.550 0.382 0.000 0.343 68 Y C 0.479 176.438 175.900 0.098 0.000 0.973 68 Y CA -0.928 57.203 58.100 0.052 0.000 1.064 68 Y CB 2.239 40.712 38.460 0.021 0.000 1.207 68 Y HN 0.398 nan 8.280 nan 0.000 0.452 69 L N 1.029 122.352 121.223 0.167 0.000 2.609 69 L HA 0.477 5.042 4.340 0.375 0.000 0.230 69 L C 0.962 177.797 176.870 -0.060 0.000 1.064 69 L CA 0.809 55.711 54.840 0.103 0.000 0.873 69 L CB -0.409 41.692 42.059 0.070 0.000 1.139 69 L HN 0.824 nan 8.230 nan 0.000 0.490 70 G N -1.154 107.635 108.800 -0.019 0.000 2.772 70 G HA2 0.337 4.521 3.960 0.375 0.000 0.284 70 G HA3 0.337 4.521 3.960 0.375 0.000 0.284 70 G C -0.201 174.751 174.900 0.086 0.000 1.217 70 G CA -0.452 44.605 45.100 -0.073 0.000 0.831 70 G HN -0.101 nan 8.290 nan 0.000 0.523 71 M N 0.701 120.324 119.600 0.037 0.000 2.682 71 M HA 0.283 4.988 4.480 0.375 0.000 0.235 71 M C 0.328 176.738 176.300 0.183 0.000 1.114 71 M CA 0.697 56.053 55.300 0.093 0.000 1.053 71 M CB 0.095 32.697 32.600 0.003 0.000 1.599 71 M HN -0.110 nan 8.290 nan 0.000 0.520 72 K N 2.096 122.564 120.400 0.113 0.000 2.264 72 K HA 0.394 4.939 4.320 0.375 0.000 0.277 72 K C -2.475 174.041 176.600 -0.139 0.000 1.067 72 K CA -1.894 54.396 56.287 0.004 0.000 0.900 72 K CB 0.722 33.188 32.500 -0.058 0.000 1.124 72 K HN -0.013 nan 8.250 nan 0.000 0.469 73 P HA 0.171 nan 4.420 nan 0.000 0.274 73 P C -0.719 176.321 177.300 -0.435 0.000 1.237 73 P CA -0.297 62.394 63.100 -0.681 0.000 0.793 73 P CB 0.894 32.304 31.700 -0.485 0.000 0.977 74 T N 0.811 115.085 114.554 -0.467 0.000 3.170 74 T HA 0.177 4.752 4.350 0.375 0.000 0.315 74 T C -0.709 173.760 174.700 -0.385 0.000 0.967 74 T CA -0.443 61.423 62.100 -0.390 0.000 1.024 74 T CB 0.894 69.508 68.868 -0.423 0.000 1.018 74 T HN 0.305 nan 8.240 nan 0.000 0.449 75 V N 5.687 125.388 119.914 -0.355 0.000 2.455 75 V HA 0.512 4.857 4.120 0.375 0.000 0.273 75 V C -0.150 175.689 176.094 -0.425 0.000 1.045 75 V CA 0.012 62.090 62.300 -0.371 0.000 0.976 75 V CB 0.549 32.182 31.823 -0.315 0.000 0.993 75 V HN 0.653 nan 8.190 nan 0.000 0.475 76 V N 8.359 127.925 119.914 -0.580 0.000 2.432 76 V HA 0.386 4.731 4.120 0.375 0.000 0.275 76 V C 0.168 175.970 176.094 -0.488 0.000 1.043 76 V CA -0.427 61.500 62.300 -0.621 0.000 0.925 76 V CB 1.332 32.536 31.823 -1.032 0.000 0.985 76 V HN 0.749 nan 8.190 nan 0.000 0.466 77 L N 5.654 126.706 121.223 -0.284 0.000 2.265 77 L HA 0.523 5.088 4.340 0.375 0.000 0.289 77 L C -0.142 176.744 176.870 0.026 0.000 1.033 77 L CA -0.252 54.495 54.840 -0.154 0.000 0.814 77 L CB 0.727 42.619 42.059 -0.277 0.000 1.203 77 L HN 0.636 nan 8.230 nan 0.000 0.423 78 H N 3.375 122.482 119.070 0.062 0.000 2.529 78 H HA 0.609 5.390 4.556 0.375 0.000 0.348 78 H C -0.130 175.281 175.328 0.138 0.000 1.079 78 H CA 0.316 56.449 56.048 0.142 0.000 1.198 78 H CB 2.103 32.051 29.762 0.310 0.000 1.521 78 H HN 0.740 nan 8.280 nan 0.000 0.514 79 G N 3.592 112.360 108.800 -0.053 0.000 2.712 79 G HA2 -0.284 3.901 3.960 0.375 0.000 0.686 79 G HA3 -0.284 3.901 3.960 0.375 0.000 0.686 79 G C -0.055 174.884 174.900 0.065 0.000 1.181 79 G CA 0.026 45.171 45.100 0.076 0.000 0.762 79 G HN 0.697 nan 8.290 nan 0.000 0.641 80 Y N 0.399 120.665 120.300 -0.057 0.000 2.165 80 Y HA -0.159 4.615 4.550 0.374 0.000 0.286 80 Y C 2.588 178.412 175.900 -0.126 0.000 1.155 80 Y CA 2.932 60.914 58.100 -0.197 0.000 1.164 80 Y CB 0.015 38.155 38.460 -0.533 0.000 0.978 80 Y HN 0.884 nan 8.280 nan 0.000 0.513 81 E N -0.000 120.189 120.200 -0.017 0.000 2.023 81 E HA -0.257 4.318 4.350 0.375 0.000 0.196 81 E C 2.303 178.845 176.600 -0.095 0.000 1.003 81 E CA 1.434 57.791 56.400 -0.072 0.000 0.809 81 E CB -0.447 29.296 29.700 0.071 0.000 0.755 81 E HN 0.529 nan 8.360 nan 0.000 0.449 82 A N 0.449 123.279 122.820 0.018 0.000 1.930 82 A HA -0.106 4.439 4.320 0.375 0.000 0.217 82 A C 2.408 179.976 177.584 -0.026 0.000 1.175 82 A CA 1.428 53.533 52.037 0.113 0.000 0.627 82 A CB -0.547 18.565 19.000 0.187 0.000 0.815 82 A HN 0.249 nan 8.150 nan 0.000 0.443 83 V N 0.437 120.263 119.914 -0.147 0.000 2.358 83 V HA -0.230 4.115 4.120 0.375 0.000 0.246 83 V C 2.555 178.453 176.094 -0.327 0.000 1.047 83 V CA 2.261 64.412 62.300 -0.250 0.000 1.035 83 V CB -0.594 31.106 31.823 -0.206 0.000 0.658 83 V HN 0.692 nan 8.190 nan 0.000 0.452 84 K N 0.213 120.353 120.400 -0.434 0.000 2.097 84 K HA -0.220 4.324 4.320 0.375 0.000 0.205 84 K C 2.192 178.619 176.600 -0.289 0.000 1.050 84 K CA 1.778 57.789 56.287 -0.459 0.000 0.938 84 K CB -0.092 31.897 32.500 -0.852 0.000 0.718 84 K HN 0.561 nan 8.250 nan 0.000 0.442 85 E N 0.054 120.120 120.200 -0.223 0.000 2.058 85 E HA -0.211 4.364 4.350 0.375 0.000 0.194 85 E C 1.784 178.333 176.600 -0.086 0.000 0.997 85 E CA 1.242 57.578 56.400 -0.107 0.000 0.801 85 E CB -0.108 29.559 29.700 -0.056 0.000 0.746 85 E HN 0.433 nan 8.360 nan 0.000 0.450 86 A N 0.935 123.627 122.820 -0.212 0.000 1.832 86 A HA -0.120 4.425 4.320 0.375 0.000 0.214 86 A C 2.223 179.400 177.584 -0.678 0.000 1.200 86 A CA 1.147 52.703 52.037 -0.802 0.000 0.610 86 A CB -0.776 17.384 19.000 -1.399 0.000 0.842 86 A HN 0.280 nan 8.150 nan 0.000 0.444 87 L N -0.531 120.394 121.223 -0.497 0.000 2.093 87 L HA -0.136 4.429 4.340 0.375 0.000 0.208 87 L C 2.302 179.097 176.870 -0.126 0.000 1.085 87 L CA 0.992 55.654 54.840 -0.297 0.000 0.755 87 L CB -0.434 41.453 42.059 -0.287 0.000 0.904 87 L HN 0.290 nan 8.230 nan 0.000 0.435 88 V N -1.191 118.647 119.914 -0.126 0.000 2.543 88 V HA -0.078 4.266 4.120 0.375 0.000 0.232 88 V C 1.929 178.016 176.094 -0.013 0.000 1.087 88 V CA 1.074 63.342 62.300 -0.053 0.000 1.113 88 V CB -0.487 31.294 31.823 -0.069 0.000 0.779 88 V HN 0.252 nan 8.190 nan 0.000 0.495 89 D N 1.057 121.440 120.400 -0.028 0.000 2.123 89 D HA -0.098 4.766 4.640 0.375 0.000 0.196 89 D C 1.373 177.709 176.300 0.058 0.000 0.992 89 D CA 1.364 55.369 54.000 0.008 0.000 0.833 89 D CB -0.100 40.692 40.800 -0.013 0.000 0.954 89 D HN 0.316 nan 8.370 nan 0.000 0.455 90 L N 0.966 122.243 121.223 0.089 0.000 3.064 90 L HA 0.312 4.876 4.340 0.375 0.000 0.233 90 L C 1.907 178.938 176.870 0.268 0.000 1.333 90 L CA -0.548 54.426 54.840 0.222 0.000 1.140 90 L CB 0.486 42.797 42.059 0.420 0.000 1.519 90 L HN -0.070 nan 8.230 nan 0.000 0.493 91 G N 0.483 109.375 108.800 0.153 0.000 2.628 91 G HA2 -0.271 3.914 3.960 0.375 0.000 0.217 91 G HA3 -0.271 3.914 3.960 0.375 0.000 0.217 91 G C 1.229 176.243 174.900 0.190 0.000 1.240 91 G CA 0.657 45.849 45.100 0.153 0.000 0.792 91 G HN 0.507 nan 8.290 nan 0.000 0.593 92 E N 0.314 120.610 120.200 0.160 0.000 2.338 92 E HA -0.056 4.519 4.350 0.375 0.000 0.197 92 E C 2.408 179.059 176.600 0.086 0.000 1.007 92 E CA 0.697 57.182 56.400 0.140 0.000 0.849 92 E CB 0.028 29.806 29.700 0.129 0.000 0.774 92 E HN 0.441 nan 8.360 nan 0.000 0.506 93 E N -0.404 119.855 120.200 0.098 0.000 2.208 93 E HA -0.084 4.490 4.350 0.375 0.000 0.193 93 E C 0.773 177.210 176.600 -0.271 0.000 0.988 93 E CA 0.799 57.163 56.400 -0.061 0.000 0.828 93 E CB 0.060 29.747 29.700 -0.021 0.000 0.763 93 E HN 0.226 nan 8.360 nan 0.000 0.478 94 F N -0.989 118.940 119.950 -0.035 0.000 2.682 94 F HA 0.373 5.124 4.527 0.374 0.000 0.308 94 F C 1.560 177.364 175.800 0.008 0.000 1.093 94 F CA -0.118 57.851 58.000 -0.052 0.000 1.244 94 F CB 0.263 39.194 39.000 -0.115 0.000 1.052 94 F HN -0.075 nan 8.300 nan 0.000 0.573 95 A N 0.634 123.502 122.820 0.082 0.000 2.276 95 A HA 0.276 4.820 4.320 0.375 0.000 0.205 95 A C 1.490 178.828 177.584 -0.410 0.000 1.234 95 A CA 0.756 52.722 52.037 -0.118 0.000 0.797 95 A CB -1.356 17.591 19.000 -0.089 0.000 0.769 95 A HN 0.250 nan 8.150 nan 0.000 0.491 96 G N -0.872 107.776 108.800 -0.253 0.000 2.451 96 G HA2 0.504 4.688 3.960 0.375 0.000 0.303 96 G HA3 0.504 4.688 3.960 0.375 0.000 0.303 96 G C -0.416 174.284 174.900 -0.334 0.000 1.166 96 G CA -0.701 44.212 45.100 -0.312 0.000 0.884 96 G HN 0.333 nan 8.290 nan 0.000 0.514 97 R N 0.035 120.346 120.500 -0.315 0.000 2.514 97 R HA 0.566 5.131 4.340 0.375 0.000 0.301 97 R C 0.604 176.847 176.300 -0.096 0.000 0.962 97 R CA -0.182 55.765 56.100 -0.255 0.000 0.882 97 R CB 1.090 31.222 30.300 -0.281 0.000 1.143 97 R HN 0.707 nan 8.270 nan 0.000 0.452 98 G N 1.796 110.565 108.800 -0.051 0.000 2.491 98 G HA2 0.108 4.293 3.960 0.375 0.000 0.238 98 G HA3 0.108 4.293 3.960 0.375 0.000 0.238 98 G C -0.686 174.238 174.900 0.040 0.000 1.277 98 G CA -0.344 44.743 45.100 -0.022 0.000 0.851 98 G HN 0.601 nan 8.290 nan 0.000 0.573 99 S N -0.464 115.239 115.700 0.005 0.000 2.528 99 S HA 0.371 5.066 4.470 0.375 0.000 0.277 99 S C 0.104 174.700 174.600 -0.006 0.000 1.297 99 S CA -0.381 57.824 58.200 0.009 0.000 1.052 99 S CB 1.266 64.464 63.200 -0.003 0.000 0.917 99 S HN 0.474 nan 8.310 nan 0.000 0.492 100 V N 6.450 126.334 119.914 -0.049 0.000 2.443 100 V HA 0.265 4.610 4.120 0.375 0.000 0.293 100 V C -1.446 174.594 176.094 -0.090 0.000 1.021 100 V CA -1.610 60.637 62.300 -0.088 0.000 0.848 100 V CB 1.563 33.234 31.823 -0.253 0.000 0.998 100 V HN 0.620 nan 8.190 nan 0.000 0.424 101 P HA -0.186 nan 4.420 nan 0.000 0.216 101 P C 1.464 178.730 177.300 -0.057 0.000 1.157 101 P CA 1.572 64.667 63.100 -0.007 0.000 0.880 101 P CB 0.467 32.208 31.700 0.069 0.000 0.791 102 I N -0.743 119.733 120.570 -0.158 0.000 2.286 102 I HA -0.188 4.207 4.170 0.375 0.000 0.248 102 I C 2.682 178.683 176.117 -0.193 0.000 1.115 102 I CA 1.353 62.505 61.300 -0.246 0.000 1.392 102 I CB -1.075 36.624 38.000 -0.500 0.000 1.065 102 I HN -0.154 nan 8.210 nan 0.000 0.418 103 L N -0.426 120.663 121.223 -0.222 0.000 2.270 103 L HA -0.047 4.518 4.340 0.375 0.000 0.210 103 L C 2.289 179.107 176.870 -0.087 0.000 1.104 103 L CA 0.827 55.552 54.840 -0.192 0.000 0.804 103 L CB -0.645 41.185 42.059 -0.382 0.000 0.937 103 L HN 0.241 nan 8.230 nan 0.000 0.450 104 E N 0.398 120.555 120.200 -0.071 0.000 2.204 104 E HA -0.232 4.343 4.350 0.375 0.000 0.194 104 E C 1.921 178.516 176.600 -0.008 0.000 0.989 104 E CA 0.895 57.283 56.400 -0.020 0.000 0.824 104 E CB 0.159 29.852 29.700 -0.011 0.000 0.756 104 E HN 0.191 nan 8.360 nan 0.000 0.477 105 K N 0.497 120.885 120.400 -0.020 0.000 2.005 105 K HA -0.063 4.482 4.320 0.375 0.000 0.206 105 K C 1.916 178.513 176.600 -0.004 0.000 1.044 105 K CA 0.868 57.152 56.287 -0.005 0.000 0.942 105 K CB -0.390 32.109 32.500 -0.002 0.000 0.727 105 K HN -0.084 nan 8.250 nan 0.000 0.439 106 V N 0.515 120.418 119.914 -0.019 0.000 2.261 106 V HA -0.191 4.154 4.120 0.375 0.000 0.246 106 V C 2.021 178.123 176.094 0.013 0.000 1.047 106 V CA 2.260 64.556 62.300 -0.007 0.000 1.015 106 V CB -0.544 31.265 31.823 -0.023 0.000 0.642 106 V HN 0.297 nan 8.190 nan 0.000 0.446 107 S N -1.396 114.315 115.700 0.019 0.000 2.522 107 S HA -0.005 4.690 4.470 0.375 0.000 0.227 107 S C 0.915 175.543 174.600 0.046 0.000 0.986 107 S CA 0.216 58.445 58.200 0.049 0.000 0.929 107 S CB -0.216 63.036 63.200 0.087 0.000 0.769 107 S HN 0.630 nan 8.310 nan 0.000 0.529 108 K N 0.268 120.687 120.400 0.032 0.000 3.012 108 K HA -0.215 4.330 4.320 0.375 0.000 0.259 108 K C 0.751 177.375 176.600 0.040 0.000 0.989 108 K CA 0.236 56.542 56.287 0.031 0.000 0.728 108 K CB -2.216 30.300 32.500 0.028 0.000 1.260 108 K HN 0.568 nan 8.250 nan 0.000 0.480 109 G N -0.565 108.266 108.800 0.051 0.000 2.153 109 G HA2 -0.322 3.862 3.960 0.375 0.000 0.252 109 G HA3 -0.322 3.862 3.960 0.375 0.000 0.252 109 G C 0.225 175.167 174.900 0.071 0.000 0.994 109 G CA 0.896 46.033 45.100 0.062 0.000 0.698 109 G HN 0.297 nan 8.290 nan 0.000 0.521 110 L N -1.299 119.967 121.223 0.071 0.000 2.693 110 L HA 0.845 5.410 4.340 0.375 0.000 0.253 110 L C 1.705 178.628 176.870 0.089 0.000 1.155 110 L CA -0.473 54.406 54.840 0.064 0.000 1.026 110 L CB 0.345 42.426 42.059 0.038 0.000 1.817 110 L HN 1.121 nan 8.230 nan 0.000 0.556 111 G N -0.327 108.516 108.800 0.071 0.000 2.525 111 G HA2 -0.247 3.938 3.960 0.375 0.000 0.248 111 G HA3 -0.247 3.938 3.960 0.375 0.000 0.248 111 G C 0.051 175.029 174.900 0.129 0.000 1.238 111 G CA 0.282 45.438 45.100 0.093 0.000 0.926 111 G HN 0.571 nan 8.290 nan 0.000 0.574 112 I N -0.328 120.326 120.570 0.140 0.000 4.046 112 I HA 0.328 4.723 4.170 0.375 0.000 0.285 112 I C 2.825 179.024 176.117 0.135 0.000 1.183 112 I CA 0.953 62.369 61.300 0.193 0.000 1.337 112 I CB -0.327 37.762 38.000 0.147 0.000 1.478 112 I HN 0.702 nan 8.210 nan 0.000 0.452 113 A N 0.911 123.718 122.820 -0.022 0.000 1.930 113 A HA -0.037 4.508 4.320 0.375 0.000 0.217 113 A C 1.551 178.672 177.584 -0.773 0.000 1.175 113 A CA 1.702 53.516 52.037 -0.372 0.000 0.627 113 A CB -0.559 18.208 19.000 -0.389 0.000 0.815 113 A HN 0.446 nan 8.150 nan 0.000 0.443 114 F N -0.085 119.872 119.950 0.012 0.000 2.735 114 F HA 0.198 4.950 4.527 0.375 0.000 0.308 114 F C 1.135 176.921 175.800 -0.023 0.000 1.112 114 F CA 0.071 58.053 58.000 -0.030 0.000 1.235 114 F CB 0.278 39.271 39.000 -0.012 0.000 1.027 114 F HN 0.137 nan 8.300 nan 0.000 0.528 115 S N -0.052 115.706 115.700 0.096 0.000 2.681 115 S HA 0.515 5.210 4.470 0.375 0.000 0.270 115 S C -0.171 174.458 174.600 0.047 0.000 1.209 115 S CA -0.585 57.689 58.200 0.122 0.000 0.988 115 S CB 1.508 64.826 63.200 0.197 0.000 1.006 115 S HN 0.158 nan 8.310 nan 0.000 0.558 116 N N -0.696 118.064 118.700 0.100 0.000 2.525 116 N HA 0.619 5.583 4.740 0.375 0.000 0.270 116 N C 0.375 176.008 175.510 0.204 0.000 1.321 116 N CA 0.158 53.236 53.050 0.046 0.000 0.797 116 N CB 1.721 40.191 38.487 -0.029 0.000 1.529 116 N HN 1.016 nan 8.380 nan 0.000 0.491 117 A N 1.467 124.427 122.820 0.233 0.000 5.568 117 A HA -0.365 4.180 4.320 0.375 0.000 0.322 117 A C 1.718 179.462 177.584 0.267 0.000 1.802 117 A CA 2.300 54.495 52.037 0.263 0.000 0.727 117 A CB -1.448 17.629 19.000 0.129 0.000 1.362 117 A HN 0.900 nan 8.150 nan 0.000 0.396 118 K N -0.986 119.503 120.400 0.147 0.000 2.030 118 K HA -0.256 4.289 4.320 0.375 0.000 0.222 118 K C 1.752 178.398 176.600 0.076 0.000 1.056 118 K CA 3.053 59.395 56.287 0.092 0.000 0.957 118 K CB -1.974 30.565 32.500 0.065 0.000 0.727 118 K HN 0.850 nan 8.250 nan 0.000 0.452 119 T N 0.457 115.063 114.554 0.087 0.000 2.720 119 T HA -0.168 4.407 4.350 0.375 0.000 0.268 119 T C 1.445 176.196 174.700 0.084 0.000 1.037 119 T CA 1.770 63.904 62.100 0.056 0.000 1.144 119 T CB -0.443 68.463 68.868 0.065 0.000 0.864 119 T HN 0.582 nan 8.240 nan 0.000 0.444 120 W N 2.203 123.501 121.300 -0.005 0.000 2.379 120 W HA 0.014 4.900 4.660 0.376 0.000 0.307 120 W C 2.302 178.834 176.519 0.021 0.000 1.200 120 W CA 0.900 58.245 57.345 0.001 0.000 1.297 120 W CB -0.359 29.096 29.460 -0.008 0.000 1.140 120 W HN 0.049 nan 8.180 nan 0.000 0.507 121 K N 0.426 120.623 120.400 -0.339 0.000 2.044 121 K HA -0.275 4.270 4.320 0.375 0.000 0.210 121 K C 1.954 178.345 176.600 -0.349 0.000 1.049 121 K CA 2.304 58.250 56.287 -0.569 0.000 0.927 121 K CB -0.428 31.957 32.500 -0.193 0.000 0.713 121 K HN 0.279 nan 8.250 nan 0.000 0.443 122 E N -0.424 119.688 120.200 -0.147 0.000 2.107 122 E HA -0.137 4.438 4.350 0.375 0.000 0.191 122 E C 2.106 178.709 176.600 0.005 0.000 0.982 122 E CA 0.895 57.285 56.400 -0.015 0.000 0.809 122 E CB 0.044 29.772 29.700 0.047 0.000 0.756 122 E HN 0.312 nan 8.360 nan 0.000 0.459 123 M N 0.123 119.666 119.600 -0.095 0.000 2.200 123 M HA -0.084 4.620 4.480 0.375 0.000 0.265 123 M C 2.231 178.577 176.300 0.076 0.000 1.066 123 M CA 1.217 56.515 55.300 -0.002 0.000 1.127 123 M CB -0.675 31.926 32.600 0.003 0.000 1.379 123 M HN 0.015 nan 8.290 nan 0.000 0.420 124 R N 0.916 121.329 120.500 -0.144 0.000 2.062 124 R HA -0.140 4.424 4.340 0.375 0.000 0.229 124 R C 2.425 178.687 176.300 -0.063 0.000 1.128 124 R CA 1.664 57.672 56.100 -0.155 0.000 0.960 124 R CB -0.145 29.863 30.300 -0.488 0.000 0.855 124 R HN 0.411 nan 8.270 nan 0.000 0.432 125 R N -0.604 119.839 120.500 -0.096 0.000 2.096 125 R HA -0.169 4.396 4.340 0.375 0.000 0.235 125 R C 2.129 178.461 176.300 0.053 0.000 1.127 125 R CA 1.751 57.831 56.100 -0.033 0.000 0.968 125 R CB -1.031 29.240 30.300 -0.049 0.000 0.861 125 R HN 0.298 nan 8.270 nan 0.000 0.440 126 F N 1.990 121.955 119.950 0.025 0.000 2.171 126 F HA -0.078 4.673 4.527 0.374 0.000 0.300 126 F C 2.029 177.858 175.800 0.047 0.000 1.090 126 F CA 1.700 59.730 58.000 0.051 0.000 1.293 126 F CB -0.077 39.040 39.000 0.194 0.000 1.013 126 F HN -0.006 nan 8.300 nan 0.000 0.486 127 S N 0.733 116.556 115.700 0.205 0.000 2.402 127 S HA -0.083 4.612 4.470 0.375 0.000 0.229 127 S C 2.039 176.658 174.600 0.031 0.000 1.021 127 S CA 1.172 59.496 58.200 0.207 0.000 0.974 127 S CB -0.376 63.023 63.200 0.331 0.000 0.800 127 S HN 0.372 nan 8.310 nan 0.000 0.484 128 L N 0.569 121.784 121.223 -0.012 0.000 2.072 128 L HA -0.022 4.543 4.340 0.375 0.000 0.205 128 L C 2.593 179.411 176.870 -0.087 0.000 1.079 128 L CA 0.833 55.649 54.840 -0.041 0.000 0.752 128 L CB -0.322 41.715 42.059 -0.037 0.000 0.906 128 L HN 0.323 nan 8.230 nan 0.000 0.436 129 M N -0.703 118.812 119.600 -0.143 0.000 2.132 129 M HA -0.150 4.554 4.480 0.375 0.000 0.263 129 M C 2.280 178.441 176.300 -0.232 0.000 1.065 129 M CA 1.880 57.072 55.300 -0.179 0.000 1.122 129 M CB -0.960 31.513 32.600 -0.211 0.000 1.365 129 M HN 0.234 nan 8.290 nan 0.000 0.411 130 T N 0.656 114.983 114.554 -0.378 0.000 2.951 130 T HA 0.032 4.607 4.350 0.375 0.000 0.268 130 T C 1.601 176.234 174.700 -0.112 0.000 1.073 130 T CA 0.669 62.559 62.100 -0.350 0.000 1.134 130 T CB -0.095 68.370 68.868 -0.671 0.000 0.884 130 T HN 0.320 nan 8.240 nan 0.000 0.479 131 L N 1.133 122.323 121.223 -0.056 0.000 2.688 131 L HA 0.250 4.815 4.340 0.375 0.000 0.234 131 L C 0.694 177.533 176.870 -0.050 0.000 1.192 131 L CA -0.196 54.632 54.840 -0.019 0.000 0.984 131 L CB -0.236 41.825 42.059 0.004 0.000 1.232 131 L HN 0.035 nan 8.230 nan 0.000 0.465 132 R N -0.077 120.390 120.500 -0.055 0.000 2.615 132 R HA 0.044 4.609 4.340 0.375 0.000 0.270 132 R C 1.073 177.338 176.300 -0.057 0.000 1.081 132 R CA -0.375 55.697 56.100 -0.046 0.000 1.154 132 R CB 0.430 30.716 30.300 -0.023 0.000 1.063 132 R HN -0.072 nan 8.270 nan 0.000 0.519 133 N N 0.860 119.514 118.700 -0.076 0.000 2.091 133 N HA -0.197 4.768 4.740 0.375 0.000 0.193 133 N C 0.044 175.372 175.510 -0.303 0.000 1.021 133 N CA 1.708 54.644 53.050 -0.190 0.000 0.862 133 N CB 0.061 38.428 38.487 -0.200 0.000 1.018 133 N HN 0.483 nan 8.380 nan 0.000 0.429 134 F N -1.097 118.835 119.950 -0.030 0.000 2.850 134 F HA 0.455 5.207 4.527 0.375 0.000 0.306 134 F C 1.614 177.393 175.800 -0.035 0.000 1.162 134 F CA -0.458 57.527 58.000 -0.026 0.000 1.327 134 F CB 0.548 39.533 39.000 -0.024 0.000 0.953 134 F HN 0.018 nan 8.300 nan 0.000 0.507 135 G N -0.332 108.510 108.800 0.070 0.000 2.880 135 G HA2 0.050 4.235 3.960 0.375 0.000 0.209 135 G HA3 0.050 4.235 3.960 0.375 0.000 0.209 135 G C 0.804 175.704 174.900 0.000 0.000 1.157 135 G CA 0.101 45.209 45.100 0.012 0.000 0.779 135 G HN 0.277 nan 8.290 nan 0.000 0.539 136 M N 0.811 120.430 119.600 0.032 0.000 3.200 136 M HA 0.439 5.144 4.480 0.375 0.000 0.335 136 M C 0.396 176.728 176.300 0.052 0.000 1.446 136 M CA 0.142 55.461 55.300 0.033 0.000 0.691 136 M CB 1.569 34.197 32.600 0.046 0.000 1.409 136 M HN 0.222 nan 8.290 nan 0.000 0.488 137 G N 0.644 109.487 108.800 0.072 0.000 2.549 137 G HA2 -0.171 4.014 3.960 0.375 0.000 0.404 137 G HA3 -0.171 4.014 3.960 0.375 0.000 0.404 137 G C -0.100 174.899 174.900 0.166 0.000 1.292 137 G CA -0.707 44.440 45.100 0.077 0.000 0.935 137 G HN 0.452 nan 8.290 nan 0.000 0.512 138 K N -0.174 120.307 120.400 0.133 0.000 2.155 138 K HA -0.010 4.535 4.320 0.375 0.000 0.203 138 K C 1.655 178.415 176.600 0.267 0.000 1.052 138 K CA 0.903 57.303 56.287 0.189 0.000 0.948 138 K CB 0.086 32.645 32.500 0.099 0.000 0.728 138 K HN 0.403 nan 8.250 nan 0.000 0.448 139 R N 2.467 123.067 120.500 0.166 0.000 2.272 139 R HA 0.021 4.585 4.340 0.375 0.000 0.334 139 R C -0.191 176.126 176.300 0.028 0.000 1.117 139 R CA -0.193 55.981 56.100 0.122 0.000 0.966 139 R CB 0.415 30.808 30.300 0.155 0.000 1.049 139 R HN 0.101 nan 8.270 nan 0.000 0.477 140 S N 3.544 119.154 115.700 -0.150 0.000 2.626 140 S HA 0.086 4.781 4.470 0.375 0.000 0.257 140 S C 1.601 176.029 174.600 -0.286 0.000 1.288 140 S CA -0.679 57.212 58.200 -0.516 0.000 0.980 140 S CB 0.666 63.068 63.200 -1.331 0.000 0.975 140 S HN 0.611 nan 8.310 nan 0.000 0.577 141 I N 0.563 120.947 120.570 -0.309 0.000 2.233 141 I HA -0.126 4.269 4.170 0.375 0.000 0.243 141 I C 2.872 178.888 176.117 -0.168 0.000 1.093 141 I CA 1.704 62.895 61.300 -0.181 0.000 1.380 141 I CB -0.597 37.307 38.000 -0.160 0.000 1.067 141 I HN 0.910 nan 8.210 nan 0.000 0.413 142 E N 1.477 121.548 120.200 -0.215 0.000 2.097 142 E HA -0.299 4.275 4.350 0.375 0.000 0.196 142 E C 1.613 178.151 176.600 -0.104 0.000 1.000 142 E CA 1.976 58.286 56.400 -0.151 0.000 0.804 142 E CB 0.028 29.639 29.700 -0.149 0.000 0.740 142 E HN 0.398 nan 8.360 nan 0.000 0.454 143 D N 0.064 120.394 120.400 -0.116 0.000 2.123 143 D HA -0.148 4.717 4.640 0.375 0.000 0.196 143 D C 2.082 178.363 176.300 -0.031 0.000 0.992 143 D CA 1.009 54.978 54.000 -0.051 0.000 0.833 143 D CB -0.241 40.539 40.800 -0.033 0.000 0.954 143 D HN 0.207 nan 8.370 nan 0.000 0.455 144 R N -0.011 120.462 120.500 -0.044 0.000 2.115 144 R HA 0.030 4.595 4.340 0.375 0.000 0.230 144 R C 2.465 178.765 176.300 -0.001 0.000 1.111 144 R CA 0.581 56.669 56.100 -0.021 0.000 0.976 144 R CB -0.089 30.197 30.300 -0.022 0.000 0.870 144 R HN 0.255 nan 8.270 nan 0.000 0.445 145 I N 0.394 120.941 120.570 -0.038 0.000 2.233 145 I HA -0.252 4.143 4.170 0.375 0.000 0.243 145 I C 2.316 178.434 176.117 0.002 0.000 1.093 145 I CA 1.257 62.518 61.300 -0.065 0.000 1.380 145 I CB -0.341 37.542 38.000 -0.195 0.000 1.067 145 I HN 0.203 nan 8.210 nan 0.000 0.413 146 Q N 0.635 120.435 119.800 -0.000 0.000 2.061 146 Q HA -0.301 4.264 4.340 0.375 0.000 0.204 146 Q C 2.101 178.145 176.000 0.073 0.000 0.984 146 Q CA 2.241 58.069 55.803 0.042 0.000 0.846 146 Q CB -0.172 28.582 28.738 0.027 0.000 0.902 146 Q HN 0.463 nan 8.270 nan 0.000 0.421 147 E N 0.994 121.227 120.200 0.054 0.000 2.085 147 E HA -0.265 4.310 4.350 0.375 0.000 0.194 147 E C 1.737 178.391 176.600 0.089 0.000 0.994 147 E CA 1.683 58.114 56.400 0.052 0.000 0.801 147 E CB -0.083 29.631 29.700 0.023 0.000 0.743 147 E HN 0.216 nan 8.360 nan 0.000 0.453 148 E N 0.139 120.427 120.200 0.146 0.000 2.072 148 E HA -0.018 4.557 4.350 0.375 0.000 0.190 148 E C 1.900 178.680 176.600 0.300 0.000 0.982 148 E CA 1.486 58.026 56.400 0.234 0.000 0.803 148 E CB -0.591 29.311 29.700 0.337 0.000 0.755 148 E HN 0.380 nan 8.360 nan 0.000 0.453 149 A N 0.614 123.685 122.820 0.418 0.000 1.978 149 A HA -0.187 4.358 4.320 0.375 0.000 0.220 149 A C 2.191 179.883 177.584 0.179 0.000 1.170 149 A CA 1.576 53.860 52.037 0.412 0.000 0.636 149 A CB -0.439 18.798 19.000 0.395 0.000 0.810 149 A HN 0.166 nan 8.150 nan 0.000 0.448 150 R N -1.054 119.521 120.500 0.124 0.000 2.066 150 R HA -0.122 4.443 4.340 0.375 0.000 0.232 150 R C 2.172 178.490 176.300 0.031 0.000 1.131 150 R CA 1.641 57.780 56.100 0.066 0.000 0.955 150 R CB -0.606 29.722 30.300 0.047 0.000 0.851 150 R HN 0.620 nan 8.270 nan 0.000 0.432 151 C N 0.580 119.892 119.300 0.020 0.000 2.432 151 C HA -0.044 4.641 4.460 0.375 0.000 0.280 151 C C 2.445 177.369 174.990 -0.109 0.000 1.353 151 C CA 0.002 58.983 59.018 -0.061 0.000 1.766 151 C CB -0.907 26.796 27.740 -0.062 0.000 1.924 151 C HN 0.437 nan 8.230 nan 0.000 0.509 152 L N 1.096 122.301 121.223 -0.030 0.000 2.027 152 L HA -0.042 4.523 4.340 0.375 0.000 0.206 152 L C 2.520 179.354 176.870 -0.061 0.000 1.074 152 L CA 1.881 56.682 54.840 -0.066 0.000 0.745 152 L CB -0.895 41.071 42.059 -0.156 0.000 0.898 152 L HN 0.174 nan 8.230 nan 0.000 0.433 153 V N 0.028 119.959 119.914 0.029 0.000 2.392 153 V HA -0.290 4.054 4.120 0.375 0.000 0.249 153 V C 2.684 178.860 176.094 0.136 0.000 1.059 153 V CA 1.898 64.293 62.300 0.158 0.000 1.051 153 V CB -0.660 31.242 31.823 0.131 0.000 0.658 153 V HN 0.583 nan 8.190 nan 0.000 0.455 154 E N 0.314 120.529 120.200 0.025 0.000 2.072 154 E HA -0.196 4.379 4.350 0.375 0.000 0.191 154 E C 2.163 178.740 176.600 -0.039 0.000 0.985 154 E CA 1.263 57.663 56.400 -0.000 0.000 0.801 154 E CB -0.221 29.452 29.700 -0.046 0.000 0.750 154 E HN 0.514 nan 8.360 nan 0.000 0.452 155 E N 0.031 120.159 120.200 -0.120 0.000 2.268 155 E HA -0.113 4.462 4.350 0.375 0.000 0.195 155 E C 2.111 178.650 176.600 -0.102 0.000 0.995 155 E CA 0.583 56.907 56.400 -0.126 0.000 0.836 155 E CB -0.056 29.527 29.700 -0.195 0.000 0.763 155 E HN 0.397 nan 8.360 nan 0.000 0.491 156 L N -0.170 120.944 121.223 -0.182 0.000 2.162 156 L HA -0.016 4.549 4.340 0.375 0.000 0.205 156 L C 2.526 179.282 176.870 -0.190 0.000 1.086 156 L CA 0.558 55.151 54.840 -0.412 0.000 0.778 156 L CB -0.128 41.363 42.059 -0.946 0.000 0.928 156 L HN -0.018 nan 8.230 nan 0.000 0.446 157 R N 0.254 120.791 120.500 0.061 0.000 2.148 157 R HA -0.105 4.460 4.340 0.375 0.000 0.227 157 R C 1.801 178.153 176.300 0.087 0.000 1.103 157 R CA 0.841 57.051 56.100 0.183 0.000 0.983 157 R CB 0.016 30.444 30.300 0.213 0.000 0.874 157 R HN 0.270 nan 8.270 nan 0.000 0.451 158 K N 0.045 120.466 120.400 0.036 0.000 2.525 158 K HA -0.029 4.515 4.320 0.375 0.000 0.192 158 K C 1.341 177.961 176.600 0.033 0.000 1.029 158 K CA 1.192 57.497 56.287 0.031 0.000 1.029 158 K CB 0.278 32.786 32.500 0.015 0.000 0.814 158 K HN 0.259 nan 8.250 nan 0.000 0.503 159 T N -1.763 112.811 114.554 0.033 0.000 3.129 159 T HA 0.021 4.596 4.350 0.375 0.000 0.251 159 T C 0.553 175.287 174.700 0.056 0.000 1.117 159 T CA -0.264 61.863 62.100 0.045 0.000 1.034 159 T CB -0.123 68.783 68.868 0.065 0.000 0.968 159 T HN 0.110 nan 8.240 nan 0.000 0.526 160 N N 1.488 120.228 118.700 0.066 0.000 2.693 160 N HA -0.301 4.664 4.740 0.375 0.000 0.249 160 N C 0.967 176.524 175.510 0.078 0.000 1.119 160 N CA 0.972 54.066 53.050 0.072 0.000 0.717 160 N CB -1.648 36.871 38.487 0.052 0.000 1.071 160 N HN 1.076 nan 8.380 nan 0.000 0.555 161 A N -2.320 120.557 122.820 0.094 0.000 3.021 161 A HA -0.279 4.266 4.320 0.375 0.000 0.257 161 A C 0.832 178.447 177.584 0.050 0.000 1.277 161 A CA 1.570 53.661 52.037 0.090 0.000 1.012 161 A CB -2.304 16.753 19.000 0.095 0.000 1.147 161 A HN 1.325 nan 8.150 nan 0.000 0.861 162 S N 0.450 116.176 115.700 0.044 0.000 2.601 162 S HA 0.626 5.321 4.470 0.375 0.000 0.271 162 S C -1.730 172.875 174.600 0.009 0.000 1.305 162 S CA -0.844 57.368 58.200 0.021 0.000 1.022 162 S CB 0.883 64.094 63.200 0.019 0.000 0.940 162 S HN 0.559 nan 8.310 nan 0.000 0.525 163 P HA 0.211 nan 4.420 nan 0.000 0.266 163 P C -0.068 177.217 177.300 -0.024 0.000 1.195 163 P CA -0.217 62.863 63.100 -0.033 0.000 0.768 163 P CB -0.114 31.566 31.700 -0.033 0.000 0.838 164 C N 0.696 119.973 119.300 -0.039 0.000 3.312 164 C HA 0.581 5.265 4.460 0.375 0.000 0.332 164 C C -1.260 173.683 174.990 -0.078 0.000 1.340 164 C CA -0.848 58.154 59.018 -0.027 0.000 1.265 164 C CB 1.483 29.245 27.740 0.036 0.000 1.563 164 C HN 0.510 nan 8.230 nan 0.000 0.471 165 D N 2.108 122.454 120.400 -0.090 0.000 2.329 165 D HA 0.501 5.366 4.640 0.375 0.000 0.232 165 D C -0.991 175.240 176.300 -0.116 0.000 1.088 165 D CA -1.947 51.942 54.000 -0.184 0.000 0.835 165 D CB 1.680 42.382 40.800 -0.164 0.000 1.078 165 D HN 0.546 nan 8.370 nan 0.000 0.495 166 P HA -0.069 nan 4.420 nan 0.000 0.237 166 P C 1.010 178.273 177.300 -0.063 0.000 1.178 166 P CA 0.371 63.453 63.100 -0.030 0.000 0.766 166 P CB 0.297 32.027 31.700 0.050 0.000 0.876 167 T N 0.507 114.995 114.554 -0.110 0.000 2.620 167 T HA -0.238 4.336 4.350 0.375 0.000 0.267 167 T C 1.394 176.048 174.700 -0.077 0.000 1.044 167 T CA 1.726 63.771 62.100 -0.092 0.000 1.161 167 T CB -1.080 67.726 68.868 -0.103 0.000 0.862 167 T HN 0.106 nan 8.240 nan 0.000 0.438 168 F N 2.120 121.974 119.950 -0.159 0.000 2.075 168 F HA -0.053 4.699 4.527 0.374 0.000 0.297 168 F C 2.110 177.807 175.800 -0.172 0.000 1.113 168 F CA 1.381 59.278 58.000 -0.172 0.000 1.218 168 F CB -0.462 38.455 39.000 -0.138 0.000 0.984 168 F HN 0.256 nan 8.300 nan 0.000 0.472 169 I N -1.070 119.320 120.570 -0.300 0.000 2.617 169 I HA -0.097 4.298 4.170 0.375 0.000 0.256 169 I C 1.471 177.378 176.117 -0.350 0.000 1.167 169 I CA 1.038 62.100 61.300 -0.396 0.000 1.469 169 I CB -0.346 37.648 38.000 -0.012 0.000 1.098 169 I HN 0.142 nan 8.210 nan 0.000 0.436 170 L N 1.749 122.828 121.223 -0.240 0.000 2.610 170 L HA 0.207 4.771 4.340 0.375 0.000 0.232 170 L C 2.114 178.864 176.870 -0.200 0.000 1.149 170 L CA 1.280 56.005 54.840 -0.192 0.000 0.872 170 L CB -0.612 41.400 42.059 -0.078 0.000 0.992 170 L HN 0.422 nan 8.230 nan 0.000 0.447 171 G N -3.329 105.290 108.800 -0.301 0.000 2.850 171 G HA2 -0.052 4.133 3.960 0.375 0.000 0.211 171 G HA3 -0.052 4.133 3.960 0.375 0.000 0.211 171 G C 1.427 176.106 174.900 -0.369 0.000 1.124 171 G CA 0.458 45.393 45.100 -0.275 0.000 0.769 171 G HN 0.372 nan 8.290 nan 0.000 0.535 172 C N 0.865 119.811 119.300 -0.591 0.000 2.486 172 C HA 0.306 4.990 4.460 0.375 0.000 0.279 172 C C 3.406 178.234 174.990 -0.271 0.000 1.302 172 C CA 0.897 59.520 59.018 -0.658 0.000 1.720 172 C CB -0.500 26.352 27.740 -1.479 0.000 2.030 172 C HN 0.533 nan 8.230 nan 0.000 0.490 173 A N 1.799 124.457 122.820 -0.270 0.000 1.865 173 A HA -0.121 4.424 4.320 0.375 0.000 0.217 173 A C 0.065 177.736 177.584 0.145 0.000 1.191 173 A CA 1.999 53.982 52.037 -0.090 0.000 0.623 173 A CB -1.880 16.814 19.000 -0.509 0.000 0.826 173 A HN 0.445 nan 8.150 nan 0.000 0.444 174 P HA -0.066 nan 4.420 nan 0.000 0.219 174 P C 1.772 179.195 177.300 0.205 0.000 1.150 174 P CA 1.007 64.244 63.100 0.229 0.000 0.814 174 P CB -0.199 31.604 31.700 0.172 0.000 0.787 175 C N -0.700 118.719 119.300 0.199 0.000 2.440 175 C HA -0.046 4.639 4.460 0.375 0.000 0.278 175 C C 2.499 177.780 174.990 0.486 0.000 1.295 175 C CA 1.064 60.283 59.018 0.335 0.000 1.738 175 C CB -2.006 25.857 27.740 0.205 0.000 1.987 175 C HN 0.163 nan 8.230 nan 0.000 0.492 176 N N 0.526 119.487 118.700 0.435 0.000 2.188 176 N HA -0.074 4.891 4.740 0.375 0.000 0.184 176 N C 1.749 177.396 175.510 0.228 0.000 1.018 176 N CA 1.379 54.627 53.050 0.330 0.000 0.858 176 N CB -0.470 38.162 38.487 0.240 0.000 0.989 176 N HN 0.404 nan 8.380 nan 0.000 0.426 177 V N 1.637 121.681 119.914 0.218 0.000 2.287 177 V HA -0.217 4.128 4.120 0.375 0.000 0.248 177 V C 2.229 178.353 176.094 0.051 0.000 1.053 177 V CA 1.305 63.686 62.300 0.135 0.000 1.027 177 V CB -0.384 31.523 31.823 0.140 0.000 0.646 177 V HN 0.250 nan 8.190 nan 0.000 0.447 178 I N -0.888 119.702 120.570 0.033 0.000 2.179 178 I HA -0.284 4.111 4.170 0.375 0.000 0.242 178 I C 2.627 178.621 176.117 -0.205 0.000 1.088 178 I CA 1.564 62.758 61.300 -0.177 0.000 1.357 178 I CB -0.546 37.249 38.000 -0.342 0.000 1.051 178 I HN 0.361 nan 8.210 nan 0.000 0.409 179 C N 0.524 119.908 119.300 0.140 0.000 2.413 179 C HA -0.199 4.486 4.460 0.375 0.000 0.277 179 C C 3.375 178.456 174.990 0.153 0.000 1.228 179 C CA 1.640 60.873 59.018 0.358 0.000 1.731 179 C CB -1.194 26.971 27.740 0.708 0.000 2.042 179 C HN 0.679 nan 8.230 nan 0.000 0.468 180 S N 0.354 116.104 115.700 0.083 0.000 2.399 180 S HA -0.115 4.580 4.470 0.375 0.000 0.231 180 S C 1.657 176.282 174.600 0.041 0.000 1.022 180 S CA 1.817 60.033 58.200 0.027 0.000 0.983 180 S CB -0.626 62.562 63.200 -0.020 0.000 0.803 180 S HN 0.409 nan 8.310 nan 0.000 0.480 181 V N 1.209 121.111 119.914 -0.020 0.000 2.548 181 V HA 0.044 4.389 4.120 0.375 0.000 0.249 181 V C 2.278 178.351 176.094 -0.034 0.000 1.055 181 V CA 1.532 63.817 62.300 -0.026 0.000 1.065 181 V CB -0.462 31.309 31.823 -0.087 0.000 0.681 181 V HN 0.515 nan 8.190 nan 0.000 0.462 182 I N -1.520 118.920 120.570 -0.217 0.000 2.556 182 I HA -0.011 4.384 4.170 0.375 0.000 0.251 182 I C 1.541 177.538 176.117 -0.201 0.000 1.105 182 I CA 1.252 62.339 61.300 -0.355 0.000 1.436 182 I CB -0.017 37.437 38.000 -0.910 0.000 1.139 182 I HN 0.241 nan 8.210 nan 0.000 0.438 183 F N -0.793 119.268 119.950 0.185 0.000 2.695 183 F HA 0.228 4.980 4.527 0.374 0.000 0.303 183 F C 0.824 176.857 175.800 0.388 0.000 1.091 183 F CA -0.412 57.742 58.000 0.257 0.000 1.300 183 F CB -1.151 38.017 39.000 0.281 0.000 1.071 183 F HN 0.104 nan 8.300 nan 0.000 0.578 184 H N 1.339 120.584 119.070 0.291 0.000 2.741 184 H HA -0.278 4.503 4.556 0.375 0.000 0.305 184 H C -0.552 174.846 175.328 0.116 0.000 1.169 184 H CA 0.484 56.640 56.048 0.179 0.000 1.144 184 H CB -1.424 28.445 29.762 0.178 0.000 1.397 184 H HN 0.568 nan 8.280 nan 0.000 0.409 185 N N -0.304 118.381 118.700 -0.024 0.000 2.521 185 N HA 0.260 5.225 4.740 0.375 0.000 0.269 185 N C -0.660 174.619 175.510 -0.385 0.000 1.079 185 N CA -0.637 52.282 53.050 -0.218 0.000 0.980 185 N CB 1.086 39.469 38.487 -0.174 0.000 1.667 185 N HN 0.485 nan 8.380 nan 0.000 0.498 186 R N 1.387 121.621 120.500 -0.443 0.000 2.608 186 R HA 0.632 5.197 4.340 0.375 0.000 0.255 186 R C -1.154 174.669 176.300 -0.796 0.000 1.086 186 R CA -0.384 55.434 56.100 -0.469 0.000 1.125 186 R CB 0.917 31.112 30.300 -0.176 0.000 1.193 186 R HN 0.187 nan 8.270 nan 0.000 0.553 187 F N -1.308 118.486 119.950 -0.260 0.000 2.631 187 F HA 0.280 5.032 4.527 0.375 0.000 0.328 187 F C -0.295 175.407 175.800 -0.163 0.000 1.067 187 F CA -1.029 56.784 58.000 -0.312 0.000 0.969 187 F CB 1.708 40.311 39.000 -0.662 0.000 1.332 187 F HN 0.574 nan 8.300 nan 0.000 0.490 188 D N -0.405 120.125 120.400 0.218 0.000 2.255 188 D HA 0.144 5.009 4.640 0.375 0.000 0.249 188 D C 0.399 176.998 176.300 0.498 0.000 1.078 188 D CA 0.045 54.203 54.000 0.264 0.000 0.896 188 D CB 0.622 41.533 40.800 0.186 0.000 1.194 188 D HN 0.514 nan 8.370 nan 0.000 0.429 189 Y N 1.321 121.776 120.300 0.258 0.000 2.569 189 Y HA -0.091 4.684 4.550 0.375 0.000 0.293 189 Y C 1.593 177.740 175.900 0.412 0.000 1.144 189 Y CA 0.213 58.553 58.100 0.399 0.000 1.321 189 Y CB 0.280 38.923 38.460 0.306 0.000 0.982 189 Y HN 0.283 nan 8.280 nan 0.000 0.558 190 K N -0.239 120.414 120.400 0.422 0.000 2.358 190 K HA -0.010 4.535 4.320 0.375 0.000 0.197 190 K C 0.030 176.769 176.600 0.232 0.000 1.025 190 K CA -0.118 56.328 56.287 0.266 0.000 1.104 190 K CB 0.297 32.899 32.500 0.170 0.000 0.855 190 K HN 0.062 nan 8.250 nan 0.000 0.531 191 D N 2.527 123.108 120.400 0.301 0.000 2.412 191 D HA -0.091 4.774 4.640 0.375 0.000 0.257 191 D C 0.876 177.304 176.300 0.214 0.000 1.217 191 D CA 0.469 54.619 54.000 0.250 0.000 0.897 191 D CB 0.952 41.926 40.800 0.290 0.000 1.132 191 D HN 0.096 nan 8.370 nan 0.000 0.493 192 E N 3.467 123.750 120.200 0.139 0.000 2.058 192 E HA -0.242 4.332 4.350 0.375 0.000 0.194 192 E C 1.209 177.873 176.600 0.105 0.000 0.997 192 E CA 1.285 57.744 56.400 0.097 0.000 0.801 192 E CB 0.271 30.014 29.700 0.071 0.000 0.746 192 E HN 0.548 nan 8.360 nan 0.000 0.450 193 E N -0.224 120.059 120.200 0.139 0.000 2.051 193 E HA -0.146 4.429 4.350 0.375 0.000 0.192 193 E C 1.829 178.559 176.600 0.217 0.000 0.991 193 E CA 0.887 57.420 56.400 0.221 0.000 0.799 193 E CB -0.550 29.270 29.700 0.199 0.000 0.748 193 E HN 0.215 nan 8.360 nan 0.000 0.449 194 F N 0.391 120.289 119.950 -0.087 0.000 2.202 194 F HA -0.189 4.563 4.527 0.375 0.000 0.301 194 F C 1.751 177.476 175.800 -0.125 0.000 1.082 194 F CA 0.951 58.827 58.000 -0.208 0.000 1.313 194 F CB -0.214 38.684 39.000 -0.171 0.000 1.024 194 F HN 0.088 nan 8.300 nan 0.000 0.495 195 L N 0.316 121.509 121.223 -0.051 0.000 2.027 195 L HA -0.198 4.366 4.340 0.375 0.000 0.206 195 L C 2.461 179.212 176.870 -0.197 0.000 1.074 195 L CA 1.873 56.636 54.840 -0.129 0.000 0.745 195 L CB -1.429 40.626 42.059 -0.007 0.000 0.898 195 L HN 0.133 nan 8.230 nan 0.000 0.433 196 K N 0.074 120.370 120.400 -0.173 0.000 2.103 196 K HA -0.178 4.366 4.320 0.375 0.000 0.207 196 K C 2.022 178.388 176.600 -0.390 0.000 1.048 196 K CA 1.155 57.245 56.287 -0.328 0.000 0.930 196 K CB -0.493 31.738 32.500 -0.448 0.000 0.716 196 K HN 0.164 nan 8.250 nan 0.000 0.444 197 L N 0.055 121.105 121.223 -0.289 0.000 2.005 197 L HA -0.131 4.434 4.340 0.375 0.000 0.207 197 L C 2.032 178.673 176.870 -0.382 0.000 1.072 197 L CA 1.910 56.529 54.840 -0.367 0.000 0.744 197 L CB -0.520 41.100 42.059 -0.732 0.000 0.895 197 L HN 0.380 nan 8.230 nan 0.000 0.433 198 M N -0.290 119.039 119.600 -0.451 0.000 2.108 198 M HA -0.274 4.431 4.480 0.375 0.000 0.261 198 M C 2.084 178.255 176.300 -0.214 0.000 1.066 198 M CA 1.972 57.040 55.300 -0.387 0.000 1.107 198 M CB -0.373 31.902 32.600 -0.541 0.000 1.356 198 M HN 0.333 nan 8.290 nan 0.000 0.406 199 E N -0.018 120.060 120.200 -0.203 0.000 2.051 199 E HA -0.160 4.415 4.350 0.375 0.000 0.192 199 E C 1.914 178.463 176.600 -0.085 0.000 0.991 199 E CA 1.668 58.000 56.400 -0.114 0.000 0.799 199 E CB 0.154 29.771 29.700 -0.139 0.000 0.748 199 E HN 0.368 nan 8.360 nan 0.000 0.449 200 S N 0.599 116.201 115.700 -0.163 0.000 2.370 200 S HA -0.156 4.539 4.470 0.375 0.000 0.226 200 S C 1.931 176.486 174.600 -0.076 0.000 1.033 200 S CA 0.987 59.109 58.200 -0.131 0.000 1.011 200 S CB -0.208 62.902 63.200 -0.150 0.000 0.852 200 S HN 0.266 nan 8.310 nan 0.000 0.457 201 L N 0.053 121.226 121.223 -0.084 0.000 2.156 201 L HA -0.080 4.485 4.340 0.375 0.000 0.208 201 L C 2.449 179.327 176.870 0.014 0.000 1.095 201 L CA 1.331 56.148 54.840 -0.038 0.000 0.770 201 L CB -0.423 41.601 42.059 -0.058 0.000 0.914 201 L HN 0.379 nan 8.230 nan 0.000 0.439 202 H N -0.009 119.017 119.070 -0.074 0.000 2.317 202 H HA -0.164 4.618 4.556 0.375 0.000 0.304 202 H C 2.212 177.521 175.328 -0.031 0.000 1.067 202 H CA 1.839 57.859 56.048 -0.046 0.000 1.352 202 H CB 0.176 29.899 29.762 -0.065 0.000 1.398 202 H HN 0.217 nan 8.280 nan 0.000 0.510 203 E N -0.234 119.933 120.200 -0.054 0.000 2.130 203 E HA -0.260 4.314 4.350 0.375 0.000 0.196 203 E C 1.725 178.250 176.600 -0.125 0.000 0.998 203 E CA 1.539 57.877 56.400 -0.103 0.000 0.806 203 E CB -0.087 29.589 29.700 -0.040 0.000 0.738 203 E HN 0.464 nan 8.360 nan 0.000 0.459 204 N N -0.675 117.972 118.700 -0.089 0.000 2.331 204 N HA -0.104 4.861 4.740 0.375 0.000 0.180 204 N C 1.413 176.886 175.510 -0.062 0.000 1.019 204 N CA 0.590 53.595 53.050 -0.075 0.000 0.881 204 N CB 0.251 38.709 38.487 -0.048 0.000 0.972 204 N HN 0.043 nan 8.380 nan 0.000 0.435 205 V N -0.186 119.695 119.914 -0.055 0.000 2.878 205 V HA 0.029 4.374 4.120 0.375 0.000 0.250 205 V C 1.891 177.964 176.094 -0.034 0.000 1.075 205 V CA 1.066 63.386 62.300 0.034 0.000 1.096 205 V CB -0.050 31.823 31.823 0.084 0.000 0.724 205 V HN 0.281 nan 8.190 nan 0.000 0.467 206 E N -0.392 119.694 120.200 -0.189 0.000 2.107 206 E HA -0.110 4.465 4.350 0.375 0.000 0.191 206 E C 2.090 178.618 176.600 -0.120 0.000 0.982 206 E CA 1.039 57.316 56.400 -0.205 0.000 0.809 206 E CB 0.019 29.487 29.700 -0.386 0.000 0.756 206 E HN 0.604 nan 8.360 nan 0.000 0.459 207 L N 0.618 121.772 121.223 -0.116 0.000 2.209 207 L HA -0.023 4.542 4.340 0.375 0.000 0.207 207 L C 2.312 179.126 176.870 -0.093 0.000 1.094 207 L CA 0.201 54.983 54.840 -0.097 0.000 0.790 207 L CB -0.020 41.981 42.059 -0.098 0.000 0.932 207 L HN 0.273 nan 8.230 nan 0.000 0.447 208 L N 0.322 121.479 121.223 -0.111 0.000 2.509 208 L HA 0.168 4.733 4.340 0.375 0.000 0.222 208 L C 1.088 177.900 176.870 -0.098 0.000 1.123 208 L CA 0.220 54.977 54.840 -0.138 0.000 0.856 208 L CB -0.689 41.261 42.059 -0.181 0.000 0.985 208 L HN 0.175 nan 8.230 nan 0.000 0.456 209 G N 0.824 109.563 108.800 -0.102 0.000 2.248 209 G HA2 0.179 4.364 3.960 0.375 0.000 0.260 209 G HA3 0.179 4.364 3.960 0.375 0.000 0.260 209 G C -0.264 174.570 174.900 -0.111 0.000 1.214 209 G CA 0.445 45.465 45.100 -0.134 0.000 0.979 209 G HN 0.252 nan 8.290 nan 0.000 0.454 210 T N 2.846 117.286 114.554 -0.191 0.000 2.942 210 T HA 0.517 5.092 4.350 0.375 0.000 0.327 210 T C -1.892 172.744 174.700 -0.107 0.000 1.360 210 T CA -0.975 61.041 62.100 -0.139 0.000 1.055 210 T CB 1.981 70.732 68.868 -0.195 0.000 1.261 210 T HN 0.121 nan 8.240 nan 0.000 0.485 211 P HA 0.029 nan 4.420 nan 0.000 0.214 211 P C -0.435 176.967 177.300 0.170 0.000 1.163 211 P CA 1.111 64.195 63.100 -0.027 0.000 0.889 211 P CB 0.179 31.775 31.700 -0.173 0.000 0.790 212 W N -0.884 120.363 121.300 -0.088 0.000 2.424 212 W HA 0.268 5.151 4.660 0.371 0.000 0.318 212 W C 0.423 176.863 176.519 -0.131 0.000 1.016 212 W CA -0.927 56.375 57.345 -0.071 0.000 1.268 212 W CB 0.485 29.921 29.460 -0.040 0.000 1.297 212 W HN -0.199 nan 8.180 nan 0.000 0.428 213 L N 2.760 124.041 121.223 0.097 0.000 2.189 213 L HA -0.257 4.308 4.340 0.375 0.000 0.214 213 L C 2.111 178.997 176.870 0.026 0.000 1.097 213 L CA 1.938 56.792 54.840 0.024 0.000 0.764 213 L CB -0.744 41.356 42.059 0.069 0.000 0.900 213 L HN 0.416 nan 8.230 nan 0.000 0.436 214 Q N -1.777 118.025 119.800 0.003 0.000 2.436 214 Q HA -0.086 4.479 4.340 0.375 0.000 0.209 214 Q C 2.282 178.287 176.000 0.008 0.000 0.965 214 Q CA 0.681 56.478 55.803 -0.010 0.000 0.910 214 Q CB -0.527 28.162 28.738 -0.083 0.000 0.980 214 Q HN 0.370 nan 8.270 nan 0.000 0.491 215 V N 0.036 119.934 119.914 -0.026 0.000 2.278 215 V HA -0.375 3.969 4.120 0.375 0.000 0.251 215 V C 1.417 177.517 176.094 0.009 0.000 1.062 215 V CA 1.952 64.246 62.300 -0.009 0.000 1.038 215 V CB -0.372 31.327 31.823 -0.207 0.000 0.646 215 V HN 0.484 nan 8.190 nan 0.000 0.447 216 Y N 0.324 120.711 120.300 0.145 0.000 2.165 216 Y HA -0.241 4.535 4.550 0.377 0.000 0.286 216 Y C 2.531 178.502 175.900 0.118 0.000 1.155 216 Y CA 2.174 60.354 58.100 0.134 0.000 1.164 216 Y CB -0.523 37.969 38.460 0.052 0.000 0.978 216 Y HN 0.408 nan 8.280 nan 0.000 0.513 217 N N -0.116 118.694 118.700 0.184 0.000 2.457 217 N HA -0.103 4.862 4.740 0.375 0.000 0.180 217 N C 0.735 176.266 175.510 0.035 0.000 1.050 217 N CA 0.752 53.861 53.050 0.098 0.000 0.906 217 N CB -0.119 38.396 38.487 0.047 0.000 0.968 217 N HN 0.170 nan 8.380 nan 0.000 0.445 218 N N -0.879 117.813 118.700 -0.012 0.000 2.280 218 N HA 0.118 5.083 4.740 0.375 0.000 0.192 218 N C -0.913 174.388 175.510 -0.348 0.000 1.109 218 N CA 0.257 53.195 53.050 -0.186 0.000 0.855 218 N CB 0.309 38.637 38.487 -0.264 0.000 0.974 218 N HN 0.187 nan 8.380 nan 0.000 0.482 219 F N -0.291 119.702 119.950 0.072 0.000 2.710 219 F HA 0.339 5.081 4.527 0.359 0.000 0.345 219 F C -1.744 174.126 175.800 0.116 0.000 1.362 219 F CA -1.649 56.401 58.000 0.083 0.000 1.175 219 F CB 2.286 41.326 39.000 0.066 0.000 1.561 219 F HN -0.137 nan 8.300 nan 0.000 0.593 220 P HA -0.194 nan 4.420 nan 0.000 0.216 220 P C 1.638 179.045 177.300 0.178 0.000 1.150 220 P CA 1.209 64.418 63.100 0.181 0.000 0.837 220 P CB 0.280 32.048 31.700 0.113 0.000 0.786 221 A N -0.982 121.965 122.820 0.212 0.000 2.178 221 A HA -0.146 4.399 4.320 0.375 0.000 0.218 221 A C 1.995 179.740 177.584 0.269 0.000 1.157 221 A CA 0.961 53.130 52.037 0.220 0.000 0.689 221 A CB -1.460 17.694 19.000 0.257 0.000 0.787 221 A HN 0.134 nan 8.150 nan 0.000 0.465 222 L N -0.885 120.491 121.223 0.255 0.000 2.201 222 L HA -0.002 4.563 4.340 0.375 0.000 0.212 222 L C 2.155 179.177 176.870 0.253 0.000 1.105 222 L CA 1.361 56.377 54.840 0.294 0.000 0.775 222 L CB -0.352 41.907 42.059 0.334 0.000 0.913 222 L HN 0.489 nan 8.230 nan 0.000 0.440 223 L N -1.284 120.015 121.223 0.126 0.000 2.156 223 L HA -0.149 4.416 4.340 0.375 0.000 0.208 223 L C 1.623 178.429 176.870 -0.106 0.000 1.095 223 L CA 1.296 56.083 54.840 -0.089 0.000 0.770 223 L CB -0.268 41.715 42.059 -0.126 0.000 0.914 223 L HN 0.260 nan 8.230 nan 0.000 0.439 224 D N -1.366 118.994 120.400 -0.066 0.000 2.249 224 D HA -0.122 4.742 4.640 0.375 0.000 0.205 224 D C 1.774 177.879 176.300 -0.324 0.000 0.962 224 D CA 1.068 54.964 54.000 -0.173 0.000 0.860 224 D CB -0.066 40.627 40.800 -0.178 0.000 0.955 224 D HN 0.367 nan 8.370 nan 0.000 0.505 225 Y N -0.765 119.326 120.300 -0.349 0.000 2.457 225 Y HA 0.037 4.814 4.550 0.378 0.000 0.292 225 Y C 0.412 175.698 175.900 -1.023 0.000 1.125 225 Y CA 0.635 58.276 58.100 -0.764 0.000 1.254 225 Y CB 0.222 38.031 38.460 -1.084 0.000 1.012 225 Y HN -0.173 nan 8.280 nan 0.000 0.555 226 F N -1.605 118.397 119.950 0.087 0.000 2.708 226 F HA 0.361 5.111 4.527 0.372 0.000 0.344 226 F C -2.192 173.604 175.800 -0.007 0.000 1.447 226 F CA -2.590 55.440 58.000 0.050 0.000 1.140 226 F CB 0.529 39.581 39.000 0.087 0.000 1.657 226 F HN -0.167 nan 8.300 nan 0.000 0.598 227 P HA -0.099 nan 4.420 nan 0.000 0.219 227 P C 1.909 179.239 177.300 0.049 0.000 1.146 227 P CA 1.361 64.450 63.100 -0.018 0.000 0.808 227 P CB 0.332 32.006 31.700 -0.044 0.000 0.779 228 G N -0.337 108.516 108.800 0.089 0.000 2.422 228 G HA2 -0.206 3.978 3.960 0.375 0.000 0.218 228 G HA3 -0.206 3.978 3.960 0.375 0.000 0.218 228 G C 1.497 176.456 174.900 0.097 0.000 1.140 228 G CA 0.315 45.464 45.100 0.081 0.000 0.775 228 G HN 0.229 nan 8.290 nan 0.000 0.545 229 I N 0.193 120.850 120.570 0.145 0.000 2.118 229 I HA -0.278 4.117 4.170 0.375 0.000 0.241 229 I C 2.537 178.728 176.117 0.122 0.000 1.070 229 I CA 1.499 62.875 61.300 0.127 0.000 1.327 229 I CB -0.499 37.610 38.000 0.182 0.000 1.034 229 I HN 0.282 nan 8.210 nan 0.000 0.405 230 H N 0.658 119.715 119.070 -0.022 0.000 2.421 230 H HA -0.118 4.662 4.556 0.374 0.000 0.298 230 H C 2.201 177.510 175.328 -0.032 0.000 1.087 230 H CA 0.948 56.968 56.048 -0.047 0.000 1.330 230 H CB 0.056 29.797 29.762 -0.036 0.000 1.388 230 H HN 0.361 nan 8.280 nan 0.000 0.526 231 K N 0.188 120.657 120.400 0.114 0.000 2.057 231 K HA -0.079 4.465 4.320 0.375 0.000 0.206 231 K C 2.207 178.824 176.600 0.028 0.000 1.050 231 K CA 1.540 57.860 56.287 0.056 0.000 0.935 231 K CB 0.030 32.556 32.500 0.043 0.000 0.715 231 K HN 0.179 nan 8.250 nan 0.000 0.439 232 T N 2.108 116.673 114.554 0.019 0.000 2.777 232 T HA -0.072 4.503 4.350 0.375 0.000 0.266 232 T C 1.917 176.603 174.700 -0.023 0.000 1.040 232 T CA 0.905 63.002 62.100 -0.006 0.000 1.141 232 T CB -0.193 68.666 68.868 -0.015 0.000 0.868 232 T HN 0.088 nan 8.240 nan 0.000 0.444 233 L N 0.480 121.678 121.223 -0.042 0.000 2.012 233 L HA -0.102 4.462 4.340 0.375 0.000 0.210 233 L C 2.550 179.392 176.870 -0.046 0.000 1.073 233 L CA 1.331 56.126 54.840 -0.076 0.000 0.748 233 L CB -0.691 41.273 42.059 -0.158 0.000 0.891 233 L HN 0.248 nan 8.230 nan 0.000 0.431 234 L N -0.287 120.921 121.223 -0.024 0.000 2.083 234 L HA -0.235 4.329 4.340 0.375 0.000 0.209 234 L C 2.784 179.663 176.870 0.015 0.000 1.083 234 L CA 1.252 56.091 54.840 -0.003 0.000 0.752 234 L CB -0.549 41.517 42.059 0.013 0.000 0.899 234 L HN 0.308 nan 8.230 nan 0.000 0.433 235 K N 0.458 120.868 120.400 0.018 0.000 1.978 235 K HA -0.221 4.324 4.320 0.375 0.000 0.214 235 K C 1.916 178.549 176.600 0.056 0.000 1.049 235 K CA 1.883 58.190 56.287 0.034 0.000 0.939 235 K CB -0.144 32.367 32.500 0.018 0.000 0.721 235 K HN 0.277 nan 8.250 nan 0.000 0.441 236 N N 0.923 119.638 118.700 0.025 0.000 2.069 236 N HA -0.185 4.779 4.740 0.375 0.000 0.191 236 N C 1.835 177.385 175.510 0.066 0.000 1.031 236 N CA 1.574 54.642 53.050 0.030 0.000 0.852 236 N CB -0.596 37.877 38.487 -0.024 0.000 1.018 236 N HN 0.377 nan 8.380 nan 0.000 0.423 237 A N 1.484 124.323 122.820 0.031 0.000 1.892 237 A HA -0.184 4.361 4.320 0.375 0.000 0.218 237 A C 1.885 179.501 177.584 0.054 0.000 1.188 237 A CA 1.788 53.844 52.037 0.032 0.000 0.631 237 A CB -0.546 18.459 19.000 0.008 0.000 0.822 237 A HN 0.239 nan 8.150 nan 0.000 0.447 238 D N -2.264 118.172 120.400 0.060 0.000 2.224 238 D HA -0.113 4.751 4.640 0.375 0.000 0.205 238 D C 1.639 177.983 176.300 0.074 0.000 0.965 238 D CA 1.338 55.372 54.000 0.058 0.000 0.852 238 D CB -0.144 40.685 40.800 0.048 0.000 0.947 238 D HN 0.654 nan 8.370 nan 0.000 0.494 239 Y N 1.725 122.030 120.300 0.007 0.000 2.200 239 Y HA -0.131 4.644 4.550 0.374 0.000 0.290 239 Y C 2.199 178.123 175.900 0.040 0.000 1.137 239 Y CA 1.120 59.232 58.100 0.019 0.000 1.163 239 Y CB -0.278 38.177 38.460 -0.008 0.000 0.988 239 Y HN -0.151 nan 8.280 nan 0.000 0.518 240 I N 0.344 120.996 120.570 0.137 0.000 2.208 240 I HA -0.343 4.052 4.170 0.375 0.000 0.245 240 I C 2.350 178.494 176.117 0.045 0.000 1.097 240 I CA 1.674 62.996 61.300 0.038 0.000 1.363 240 I CB -0.403 37.609 38.000 0.020 0.000 1.051 240 I HN 0.179 nan 8.210 nan 0.000 0.413 241 K N 0.558 120.984 120.400 0.043 0.000 2.002 241 K HA -0.222 4.323 4.320 0.375 0.000 0.209 241 K C 2.013 178.629 176.600 0.028 0.000 1.048 241 K CA 1.791 58.108 56.287 0.049 0.000 0.930 241 K CB -0.463 32.059 32.500 0.036 0.000 0.714 241 K HN 0.403 nan 8.250 nan 0.000 0.438 242 N N 0.820 119.500 118.700 -0.034 0.000 2.166 242 N HA -0.202 4.763 4.740 0.375 0.000 0.186 242 N C 1.879 177.322 175.510 -0.111 0.000 1.019 242 N CA 1.068 54.069 53.050 -0.082 0.000 0.856 242 N CB -0.134 38.277 38.487 -0.127 0.000 0.993 242 N HN 0.096 nan 8.380 nan 0.000 0.426 243 F N 1.742 121.496 119.950 -0.327 0.000 2.126 243 F HA -0.037 4.715 4.527 0.375 0.000 0.299 243 F C 2.187 177.886 175.800 -0.168 0.000 1.096 243 F CA 1.199 59.003 58.000 -0.327 0.000 1.255 243 F CB -0.207 38.557 39.000 -0.393 0.000 0.997 243 F HN 0.009 nan 8.300 nan 0.000 0.479 244 I N -0.832 119.891 120.570 0.255 0.000 2.406 244 I HA -0.253 4.142 4.170 0.375 0.000 0.249 244 I C 2.303 178.502 176.117 0.135 0.000 1.122 244 I CA 0.962 62.456 61.300 0.323 0.000 1.431 244 I CB -0.407 37.830 38.000 0.394 0.000 1.087 244 I HN 0.217 nan 8.210 nan 0.000 0.424 245 M N 1.152 120.786 119.600 0.057 0.000 2.159 245 M HA -0.197 4.507 4.480 0.375 0.000 0.263 245 M C 1.991 178.282 176.300 -0.015 0.000 1.063 245 M CA 1.845 57.159 55.300 0.024 0.000 1.110 245 M CB -0.506 32.100 32.600 0.009 0.000 1.374 245 M HN 0.110 nan 8.290 nan 0.000 0.411 246 E N -0.424 119.723 120.200 -0.088 0.000 2.051 246 E HA -0.206 4.368 4.350 0.375 0.000 0.192 246 E C 1.813 178.357 176.600 -0.093 0.000 0.991 246 E CA 1.270 57.600 56.400 -0.116 0.000 0.799 246 E CB -0.143 29.432 29.700 -0.209 0.000 0.748 246 E HN 0.427 nan 8.360 nan 0.000 0.449 247 K N 0.518 120.820 120.400 -0.164 0.000 2.280 247 K HA -0.084 4.460 4.320 0.375 0.000 0.202 247 K C 2.112 178.782 176.600 0.117 0.000 1.047 247 K CA 0.629 56.862 56.287 -0.090 0.000 0.942 247 K CB -0.257 31.993 32.500 -0.417 0.000 0.739 247 K HN 0.092 nan 8.250 nan 0.000 0.457 248 V N 1.674 121.636 119.914 0.079 0.000 2.407 248 V HA -0.161 4.184 4.120 0.375 0.000 0.245 248 V C 2.252 178.434 176.094 0.147 0.000 1.041 248 V CA 1.450 63.819 62.300 0.115 0.000 1.040 248 V CB -0.323 31.554 31.823 0.089 0.000 0.671 248 V HN 0.286 nan 8.190 nan 0.000 0.455 249 K N 0.583 121.038 120.400 0.092 0.000 2.097 249 K HA -0.202 4.343 4.320 0.375 0.000 0.206 249 K C 1.993 178.648 176.600 0.091 0.000 1.049 249 K CA 1.783 58.117 56.287 0.078 0.000 0.933 249 K CB -0.152 32.372 32.500 0.040 0.000 0.717 249 K HN 0.748 nan 8.250 nan 0.000 0.442 250 E N -0.599 119.662 120.200 0.100 0.000 2.435 250 E HA -0.120 4.455 4.350 0.375 0.000 0.195 250 E C 1.311 177.980 176.600 0.114 0.000 1.029 250 E CA 0.721 57.172 56.400 0.085 0.000 0.865 250 E CB -0.041 29.691 29.700 0.053 0.000 0.833 250 E HN 0.366 nan 8.360 nan 0.000 0.510 251 H N 1.254 120.368 119.070 0.073 0.000 2.415 251 H HA 0.079 4.860 4.556 0.375 0.000 0.297 251 H C 1.859 177.237 175.328 0.085 0.000 1.048 251 H CA 1.521 57.629 56.048 0.100 0.000 1.365 251 H CB 0.299 30.151 29.762 0.151 0.000 1.421 251 H HN 0.173 nan 8.280 nan 0.000 0.533 252 Q N 0.298 120.214 119.800 0.194 0.000 2.181 252 Q HA -0.155 4.410 4.340 0.375 0.000 0.205 252 Q C 1.745 177.791 176.000 0.077 0.000 0.980 252 Q CA 1.360 57.240 55.803 0.128 0.000 0.862 252 Q CB 0.071 28.875 28.738 0.109 0.000 0.905 252 Q HN 0.457 nan 8.270 nan 0.000 0.429 253 K N 0.409 120.845 120.400 0.059 0.000 2.076 253 K HA -0.018 4.527 4.320 0.375 0.000 0.204 253 K C 1.624 178.233 176.600 0.015 0.000 1.051 253 K CA 0.771 57.077 56.287 0.032 0.000 0.949 253 K CB 0.124 32.639 32.500 0.024 0.000 0.726 253 K HN 0.166 nan 8.250 nan 0.000 0.443 254 L N 1.847 123.069 121.223 -0.002 0.000 2.629 254 L HA 0.135 4.700 4.340 0.375 0.000 0.230 254 L C 0.276 177.132 176.870 -0.023 0.000 1.151 254 L CA -0.563 54.261 54.840 -0.027 0.000 0.924 254 L CB -0.252 41.766 42.059 -0.069 0.000 1.137 254 L HN 0.117 nan 8.230 nan 0.000 0.457 255 L N 1.099 122.328 121.223 0.011 0.000 2.455 255 L HA 0.125 4.690 4.340 0.375 0.000 0.272 255 L C -0.001 176.877 176.870 0.014 0.000 1.174 255 L CA 0.756 55.613 54.840 0.028 0.000 0.869 255 L CB 0.280 42.378 42.059 0.064 0.000 1.130 255 L HN 0.008 nan 8.230 nan 0.000 0.474 256 D N 3.852 124.257 120.400 0.008 0.000 2.453 256 D HA 0.122 4.987 4.640 0.375 0.000 0.238 256 D C 1.084 177.386 176.300 0.005 0.000 1.088 256 D CA -0.199 53.801 54.000 -0.000 0.000 0.854 256 D CB 1.592 42.385 40.800 -0.012 0.000 1.076 256 D HN 0.515 nan 8.370 nan 0.000 0.533 257 V N 2.370 122.286 119.914 0.004 0.000 2.688 257 V HA -0.139 4.206 4.120 0.375 0.000 0.256 257 V C 1.272 177.362 176.094 -0.005 0.000 1.084 257 V CA 1.174 63.475 62.300 0.002 0.000 1.103 257 V CB -0.370 31.451 31.823 -0.003 0.000 0.688 257 V HN 0.415 nan 8.190 nan 0.000 0.480 258 N N 0.846 119.542 118.700 -0.008 0.000 2.356 258 N HA 0.062 5.026 4.740 0.375 0.000 0.178 258 N C 0.400 175.903 175.510 -0.012 0.000 1.075 258 N CA 0.660 53.703 53.050 -0.012 0.000 0.889 258 N CB 0.000 38.480 38.487 -0.013 0.000 0.999 258 N HN 0.634 nan 8.380 nan 0.000 0.464 259 N N 0.990 119.684 118.700 -0.011 0.000 2.716 259 N HA 0.284 5.248 4.740 0.375 0.000 0.253 259 N C -3.006 172.493 175.510 -0.017 0.000 1.170 259 N CA -1.598 51.443 53.050 -0.015 0.000 0.807 259 N CB 1.206 39.680 38.487 -0.020 0.000 1.183 259 N HN -0.169 nan 8.380 nan 0.000 0.524 260 P HA 0.309 nan 4.420 nan 0.000 0.282 260 P C 0.218 177.512 177.300 -0.010 0.000 1.274 260 P CA -0.166 62.940 63.100 0.010 0.000 0.770 260 P CB 0.926 32.637 31.700 0.019 0.000 0.867 261 R N 1.836 122.312 120.500 -0.040 0.000 2.312 261 R HA 0.141 4.706 4.340 0.375 0.000 0.205 261 R C 0.011 176.316 176.300 0.008 0.000 0.904 261 R CA 0.386 56.406 56.100 -0.133 0.000 1.052 261 R CB 0.048 30.058 30.300 -0.484 0.000 1.014 261 R HN 0.606 nan 8.270 nan 0.000 0.503 262 D N -2.565 117.904 120.400 0.115 0.000 2.851 262 D HA -0.043 4.822 4.640 0.375 0.000 0.339 262 D C 0.237 176.670 176.300 0.220 0.000 1.347 262 D CA -0.810 53.309 54.000 0.199 0.000 0.888 262 D CB -0.213 40.767 40.800 0.300 0.000 1.431 262 D HN -0.198 nan 8.370 nan 0.000 0.509 263 F N 0.402 120.399 119.950 0.079 0.000 2.046 263 F HA -0.019 4.732 4.527 0.375 0.000 0.297 263 F C 2.023 177.971 175.800 0.246 0.000 1.123 263 F CA 1.644 59.718 58.000 0.123 0.000 1.199 263 F CB -0.236 38.780 39.000 0.027 0.000 0.972 263 F HN 0.355 nan 8.300 nan 0.000 0.474 264 I N 0.289 121.103 120.570 0.406 0.000 2.087 264 I HA -0.394 4.001 4.170 0.375 0.000 0.240 264 I C 2.149 178.449 176.117 0.305 0.000 1.054 264 I CA 1.790 63.264 61.300 0.289 0.000 1.311 264 I CB -0.752 37.261 38.000 0.022 0.000 1.024 264 I HN 0.154 nan 8.210 nan 0.000 0.402 265 D N 0.622 121.206 120.400 0.306 0.000 2.126 265 D HA -0.199 4.666 4.640 0.375 0.000 0.190 265 D C 2.264 178.676 176.300 0.187 0.000 1.001 265 D CA 1.606 55.755 54.000 0.248 0.000 0.841 265 D CB -0.524 40.395 40.800 0.197 0.000 0.949 265 D HN 0.417 nan 8.370 nan 0.000 0.446 266 C N -0.064 119.340 119.300 0.173 0.000 2.422 266 C HA -0.093 4.591 4.460 0.375 0.000 0.279 266 C C 2.517 177.674 174.990 0.279 0.000 1.305 266 C CA -0.180 58.934 59.018 0.160 0.000 1.757 266 C CB -1.308 26.456 27.740 0.040 0.000 1.962 266 C HN 0.265 nan 8.230 nan 0.000 0.499 267 F N 1.280 121.337 119.950 0.178 0.000 2.113 267 F HA -0.032 4.719 4.527 0.375 0.000 0.297 267 F C 2.171 177.953 175.800 -0.030 0.000 1.103 267 F CA 1.424 59.394 58.000 -0.050 0.000 1.248 267 F CB -0.268 38.671 39.000 -0.102 0.000 0.999 267 F HN 0.062 nan 8.300 nan 0.000 0.475 268 L N -0.047 121.355 121.223 0.298 0.000 2.261 268 L HA -0.235 4.330 4.340 0.375 0.000 0.216 268 L C 2.166 179.068 176.870 0.053 0.000 1.114 268 L CA 1.044 56.001 54.840 0.195 0.000 0.777 268 L CB -0.559 41.620 42.059 0.200 0.000 0.910 268 L HN 0.264 nan 8.230 nan 0.000 0.440 269 I N -0.643 119.938 120.570 0.017 0.000 2.584 269 I HA -0.188 4.207 4.170 0.375 0.000 0.255 269 I C 2.419 178.455 176.117 -0.135 0.000 1.145 269 I CA 0.580 61.859 61.300 -0.035 0.000 1.462 269 I CB -0.041 37.954 38.000 -0.009 0.000 1.102 269 I HN 0.079 nan 8.210 nan 0.000 0.433 270 K N 1.173 121.421 120.400 -0.255 0.000 2.362 270 K HA -0.021 4.524 4.320 0.375 0.000 0.200 270 K C 1.876 178.181 176.600 -0.492 0.000 1.046 270 K CA 1.304 57.294 56.287 -0.495 0.000 0.952 270 K CB -0.069 31.868 32.500 -0.939 0.000 0.753 270 K HN 0.219 nan 8.250 nan 0.000 0.466 271 M N -0.424 118.988 119.600 -0.314 0.000 2.558 271 M HA 0.007 4.712 4.480 0.375 0.000 0.255 271 M C 0.926 177.171 176.300 -0.092 0.000 1.113 271 M CA 0.627 55.828 55.300 -0.164 0.000 1.097 271 M CB 0.197 32.782 32.600 -0.024 0.000 1.426 271 M HN 0.125 nan 8.290 nan 0.000 0.488 272 E N 0.253 120.396 120.200 -0.095 0.000 3.227 272 E HA 0.013 4.588 4.350 0.375 0.000 0.455 272 E C 1.187 177.747 176.600 -0.067 0.000 0.292 272 E CA 0.195 56.560 56.400 -0.058 0.000 2.635 272 E CB 0.108 29.785 29.700 -0.039 0.000 2.232 272 E HN 0.200 nan 8.360 nan 0.000 0.443 273 Q N 0.710 120.473 119.800 -0.061 0.000 2.585 273 Q HA -0.122 4.442 4.340 0.375 0.000 0.219 273 Q C -0.609 175.347 176.000 -0.074 0.000 0.984 273 Q CA 0.635 56.404 55.803 -0.057 0.000 0.915 273 Q CB -0.120 28.589 28.738 -0.048 0.000 0.967 273 Q HN 0.247 nan 8.270 nan 0.000 0.530 274 E N 1.036 121.171 120.200 -0.107 0.000 2.113 274 E HA 0.214 4.788 4.350 0.375 0.000 0.273 274 E C -0.742 175.785 176.600 -0.122 0.000 0.924 274 E CA -0.542 55.780 56.400 -0.131 0.000 0.764 274 E CB 0.577 30.157 29.700 -0.201 0.000 1.104 274 E HN -0.045 nan 8.360 nan 0.000 0.406 275 N N 3.718 122.369 118.700 -0.082 0.000 2.466 275 N HA 0.120 5.085 4.740 0.375 0.000 0.263 275 N C -0.895 174.590 175.510 -0.043 0.000 1.178 275 N CA 0.040 53.059 53.050 -0.052 0.000 0.983 275 N CB 0.052 38.521 38.487 -0.030 0.000 1.331 275 N HN 0.356 nan 8.380 nan 0.000 0.500 276 N N 2.098 120.778 118.700 -0.035 0.000 2.558 276 N HA 0.147 5.112 4.740 0.375 0.000 0.285 276 N C 1.183 176.755 175.510 0.103 0.000 1.112 276 N CA -0.331 52.743 53.050 0.040 0.000 0.857 276 N CB 1.649 40.147 38.487 0.017 0.000 1.376 276 N HN 0.315 nan 8.380 nan 0.000 0.526 277 L N -0.870 120.403 121.223 0.084 0.000 2.465 277 L HA 0.231 4.795 4.340 0.375 0.000 0.224 277 L C 1.627 178.546 176.870 0.083 0.000 1.145 277 L CA 0.849 55.733 54.840 0.074 0.000 0.834 277 L CB -0.012 42.076 42.059 0.048 0.000 0.944 277 L HN 0.236 nan 8.230 nan 0.000 0.451 278 E N 0.974 121.237 120.200 0.106 0.000 2.208 278 E HA 0.022 4.596 4.350 0.375 0.000 0.193 278 E C -0.016 176.512 176.600 -0.119 0.000 0.988 278 E CA 0.649 57.047 56.400 -0.003 0.000 0.828 278 E CB -0.022 29.661 29.700 -0.028 0.000 0.763 278 E HN 0.519 nan 8.360 nan 0.000 0.478 279 F N 0.603 120.514 119.950 -0.064 0.000 2.334 279 F HA 0.317 5.069 4.527 0.375 0.000 0.367 279 F C 0.493 176.325 175.800 0.053 0.000 1.115 279 F CA -0.450 57.497 58.000 -0.088 0.000 1.116 279 F CB 1.221 39.931 39.000 -0.484 0.000 1.230 279 F HN -0.208 nan 8.300 nan 0.000 0.484 280 T N -0.256 114.488 114.554 0.316 0.000 2.838 280 T HA 0.454 5.028 4.350 0.375 0.000 0.292 280 T C 0.772 175.632 174.700 0.267 0.000 1.113 280 T CA -0.879 61.365 62.100 0.240 0.000 1.008 280 T CB 1.117 70.062 68.868 0.129 0.000 1.259 280 T HN 0.404 nan 8.240 nan 0.000 0.520 281 L N 0.252 121.574 121.223 0.165 0.000 2.083 281 L HA -0.006 4.559 4.340 0.375 0.000 0.209 281 L C 2.922 179.812 176.870 0.033 0.000 1.083 281 L CA 1.904 56.803 54.840 0.098 0.000 0.752 281 L CB -0.466 41.642 42.059 0.082 0.000 0.899 281 L HN 0.896 nan 8.230 nan 0.000 0.433 282 E N -0.288 119.939 120.200 0.044 0.000 2.072 282 E HA -0.235 4.339 4.350 0.375 0.000 0.191 282 E C 2.332 178.933 176.600 0.003 0.000 0.985 282 E CA 1.272 57.686 56.400 0.024 0.000 0.801 282 E CB 0.058 29.777 29.700 0.033 0.000 0.750 282 E HN 0.290 nan 8.360 nan 0.000 0.452 283 S N 0.150 115.862 115.700 0.020 0.000 2.383 283 S HA -0.178 4.516 4.470 0.375 0.000 0.229 283 S C 1.999 176.532 174.600 -0.111 0.000 1.030 283 S CA 1.230 59.433 58.200 0.006 0.000 1.002 283 S CB -0.322 62.923 63.200 0.076 0.000 0.829 283 S HN 0.378 nan 8.310 nan 0.000 0.467 284 L N 1.615 122.642 121.223 -0.327 0.000 2.005 284 L HA 0.061 4.626 4.340 0.375 0.000 0.207 284 L C 2.339 179.050 176.870 -0.265 0.000 1.072 284 L CA 1.741 56.132 54.840 -0.748 0.000 0.744 284 L CB -0.999 40.453 42.059 -1.011 0.000 0.895 284 L HN 0.207 nan 8.230 nan 0.000 0.433 285 V N 0.195 120.036 119.914 -0.122 0.000 2.282 285 V HA -0.341 4.003 4.120 0.375 0.000 0.249 285 V C 2.573 178.674 176.094 0.013 0.000 1.057 285 V CA 2.441 64.735 62.300 -0.009 0.000 1.032 285 V CB -0.557 31.279 31.823 0.022 0.000 0.645 285 V HN 0.478 nan 8.190 nan 0.000 0.447 286 I N 0.075 120.645 120.570 -0.000 0.000 2.315 286 I HA -0.202 4.192 4.170 0.375 0.000 0.248 286 I C 2.589 178.725 176.117 0.031 0.000 1.117 286 I CA 1.314 62.632 61.300 0.029 0.000 1.404 286 I CB -0.508 37.512 38.000 0.034 0.000 1.071 286 I HN 0.286 nan 8.210 nan 0.000 0.419 287 A N 0.303 123.123 122.820 -0.000 0.000 1.898 287 A HA -0.129 4.416 4.320 0.375 0.000 0.216 287 A C 2.395 179.936 177.584 -0.071 0.000 1.181 287 A CA 1.532 53.581 52.037 0.020 0.000 0.620 287 A CB -0.843 18.221 19.000 0.108 0.000 0.819 287 A HN 0.233 nan 8.150 nan 0.000 0.442 288 V N -0.249 119.602 119.914 -0.106 0.000 2.427 288 V HA -0.188 4.157 4.120 0.375 0.000 0.248 288 V C 2.741 178.867 176.094 0.055 0.000 1.051 288 V CA 2.174 64.372 62.300 -0.171 0.000 1.048 288 V CB -0.710 31.065 31.823 -0.080 0.000 0.666 288 V HN 0.541 nan 8.190 nan 0.000 0.456 289 S N -0.179 115.601 115.700 0.134 0.000 2.368 289 S HA -0.213 4.482 4.470 0.375 0.000 0.225 289 S C 1.773 176.465 174.600 0.153 0.000 1.030 289 S CA 1.551 59.866 58.200 0.192 0.000 0.999 289 S CB -0.393 62.882 63.200 0.125 0.000 0.844 289 S HN 0.599 nan 8.310 nan 0.000 0.459 290 D N 1.519 121.973 120.400 0.090 0.000 2.104 290 D HA -0.065 4.799 4.640 0.375 0.000 0.194 290 D C 1.938 178.259 176.300 0.035 0.000 0.994 290 D CA 0.868 54.917 54.000 0.083 0.000 0.830 290 D CB -0.448 40.395 40.800 0.070 0.000 0.959 290 D HN 0.286 nan 8.370 nan 0.000 0.452 291 L N -0.501 120.683 121.223 -0.066 0.000 2.012 291 L HA -0.185 4.380 4.340 0.375 0.000 0.210 291 L C 2.505 179.302 176.870 -0.122 0.000 1.073 291 L CA 1.003 55.740 54.840 -0.171 0.000 0.748 291 L CB -0.503 41.311 42.059 -0.408 0.000 0.891 291 L HN 0.014 nan 8.230 nan 0.000 0.431 292 F N 0.027 119.936 119.950 -0.068 0.000 2.069 292 F HA -0.193 4.559 4.527 0.374 0.000 0.298 292 F C 2.546 178.342 175.800 -0.007 0.000 1.113 292 F CA 1.394 59.376 58.000 -0.030 0.000 1.214 292 F CB -0.841 38.150 39.000 -0.014 0.000 0.978 292 F HN 0.067 nan 8.300 nan 0.000 0.474 293 G N -0.622 108.310 108.800 0.220 0.000 2.446 293 G HA2 -0.255 3.930 3.960 0.375 0.000 0.217 293 G HA3 -0.255 3.930 3.960 0.375 0.000 0.217 293 G C 1.754 176.712 174.900 0.096 0.000 1.168 293 G CA 0.847 46.033 45.100 0.142 0.000 0.771 293 G HN 0.465 nan 8.290 nan 0.000 0.551 294 A N 0.106 122.968 122.820 0.069 0.000 2.016 294 A HA 0.352 4.896 4.320 0.375 0.000 0.217 294 A C 2.425 180.020 177.584 0.020 0.000 1.162 294 A CA 1.749 53.801 52.037 0.025 0.000 0.662 294 A CB -0.290 18.714 19.000 0.008 0.000 0.812 294 A HN 0.563 nan 8.150 nan 0.000 0.450 295 G N -2.253 106.563 108.800 0.027 0.000 3.159 295 G HA2 0.240 4.425 3.960 0.375 0.000 0.232 295 G HA3 0.240 4.425 3.960 0.375 0.000 0.232 295 G C 1.122 176.060 174.900 0.065 0.000 1.116 295 G CA 1.015 46.134 45.100 0.032 0.000 0.767 295 G HN 0.364 nan 8.290 nan 0.000 0.547 296 T N 0.444 115.051 114.554 0.087 0.000 2.898 296 T HA 0.025 4.599 4.350 0.375 0.000 0.241 296 T C 2.070 176.813 174.700 0.073 0.000 1.024 296 T CA 1.052 63.211 62.100 0.099 0.000 1.174 296 T CB 0.050 68.995 68.868 0.128 0.000 0.873 296 T HN 0.184 nan 8.240 nan 0.000 0.422 297 E N 1.249 121.489 120.200 0.067 0.000 2.077 297 E HA -0.114 4.460 4.350 0.375 0.000 0.193 297 E C 2.410 179.041 176.600 0.052 0.000 0.989 297 E CA 1.767 58.207 56.400 0.067 0.000 0.800 297 E CB -0.493 29.249 29.700 0.069 0.000 0.746 297 E HN 0.649 nan 8.360 nan 0.000 0.452 298 T N -2.613 111.957 114.554 0.027 0.000 2.708 298 T HA -0.144 4.431 4.350 0.375 0.000 0.266 298 T C 2.005 176.738 174.700 0.055 0.000 1.037 298 T CA 1.847 63.955 62.100 0.014 0.000 1.146 298 T CB -0.974 67.890 68.868 -0.007 0.000 0.865 298 T HN 0.059 nan 8.240 nan 0.000 0.435 299 T N 1.908 116.511 114.554 0.081 0.000 2.737 299 T HA -0.092 4.483 4.350 0.375 0.000 0.265 299 T C 2.342 177.116 174.700 0.122 0.000 1.038 299 T CA 1.448 63.619 62.100 0.118 0.000 1.144 299 T CB -0.727 68.228 68.868 0.144 0.000 0.866 299 T HN 0.528 nan 8.240 nan 0.000 0.434 300 S N 0.996 116.752 115.700 0.093 0.000 2.359 300 S HA -0.206 4.489 4.470 0.375 0.000 0.223 300 S C 2.221 176.872 174.600 0.086 0.000 1.039 300 S CA 2.180 60.419 58.200 0.064 0.000 1.042 300 S CB -1.014 62.200 63.200 0.024 0.000 0.915 300 S HN 0.541 nan 8.310 nan 0.000 0.439 301 T N 1.209 115.821 114.554 0.097 0.000 2.759 301 T HA -0.080 4.495 4.350 0.375 0.000 0.269 301 T C 1.919 176.735 174.700 0.193 0.000 1.042 301 T CA 1.898 64.076 62.100 0.129 0.000 1.140 301 T CB -0.929 68.014 68.868 0.125 0.000 0.864 301 T HN 0.547 nan 8.240 nan 0.000 0.455 302 T N 2.238 116.890 114.554 0.163 0.000 2.821 302 T HA 0.083 4.658 4.350 0.375 0.000 0.267 302 T C 1.975 176.791 174.700 0.195 0.000 1.046 302 T CA 0.758 62.961 62.100 0.171 0.000 1.139 302 T CB -0.366 68.562 68.868 0.100 0.000 0.871 302 T HN 0.260 nan 8.240 nan 0.000 0.454 303 L N 0.308 121.636 121.223 0.175 0.000 2.027 303 L HA -0.062 4.502 4.340 0.375 0.000 0.206 303 L C 3.033 180.019 176.870 0.193 0.000 1.074 303 L CA 1.292 56.237 54.840 0.176 0.000 0.745 303 L CB -0.475 41.673 42.059 0.149 0.000 0.898 303 L HN 0.115 nan 8.230 nan 0.000 0.433 304 R N -0.701 119.912 120.500 0.188 0.000 2.096 304 R HA -0.227 4.338 4.340 0.375 0.000 0.240 304 R C 2.270 178.736 176.300 0.278 0.000 1.139 304 R CA 1.922 58.166 56.100 0.239 0.000 0.952 304 R CB -0.653 29.751 30.300 0.173 0.000 0.854 304 R HN 0.398 nan 8.270 nan 0.000 0.436 305 Y N 0.719 121.094 120.300 0.124 0.000 2.352 305 Y HA -0.202 4.573 4.550 0.374 0.000 0.292 305 Y C 2.610 178.515 175.900 0.008 0.000 1.136 305 Y CA 0.819 58.954 58.100 0.057 0.000 1.227 305 Y CB 0.270 38.775 38.460 0.075 0.000 0.991 305 Y HN 0.092 nan 8.280 nan 0.000 0.545 306 S N 0.416 116.256 115.700 0.233 0.000 2.348 306 S HA -0.197 4.498 4.470 0.375 0.000 0.221 306 S C 1.919 176.576 174.600 0.096 0.000 1.033 306 S CA 1.335 59.618 58.200 0.140 0.000 1.010 306 S CB -0.543 62.750 63.200 0.154 0.000 0.891 306 S HN 0.370 nan 8.310 nan 0.000 0.442 307 L N 0.861 122.167 121.223 0.138 0.000 2.012 307 L HA -0.145 4.420 4.340 0.375 0.000 0.210 307 L C 2.476 179.322 176.870 -0.040 0.000 1.073 307 L CA 0.960 55.873 54.840 0.121 0.000 0.748 307 L CB -0.694 41.521 42.059 0.261 0.000 0.891 307 L HN 0.284 nan 8.230 nan 0.000 0.431 308 L N 0.103 121.208 121.223 -0.196 0.000 2.012 308 L HA -0.212 4.353 4.340 0.375 0.000 0.210 308 L C 2.345 179.055 176.870 -0.266 0.000 1.073 308 L CA 1.755 56.298 54.840 -0.495 0.000 0.748 308 L CB -0.429 41.235 42.059 -0.659 0.000 0.891 308 L HN 0.100 nan 8.230 nan 0.000 0.431 309 L N -1.388 119.732 121.223 -0.171 0.000 2.201 309 L HA -0.179 4.386 4.340 0.375 0.000 0.212 309 L C 2.330 179.103 176.870 -0.162 0.000 1.105 309 L CA 0.771 55.439 54.840 -0.287 0.000 0.775 309 L CB -0.392 41.302 42.059 -0.608 0.000 0.913 309 L HN 0.290 nan 8.230 nan 0.000 0.440 310 L N -1.001 120.177 121.223 -0.074 0.000 2.291 310 L HA -0.145 4.420 4.340 0.375 0.000 0.214 310 L C 2.270 179.132 176.870 -0.013 0.000 1.120 310 L CA 0.703 55.554 54.840 0.017 0.000 0.799 310 L CB -0.211 41.884 42.059 0.061 0.000 0.925 310 L HN 0.277 nan 8.230 nan 0.000 0.446 311 L N -0.356 120.815 121.223 -0.087 0.000 2.131 311 L HA -0.144 4.421 4.340 0.375 0.000 0.206 311 L C 2.578 179.363 176.870 -0.142 0.000 1.087 311 L CA 0.804 55.579 54.840 -0.109 0.000 0.767 311 L CB -0.229 41.735 42.059 -0.159 0.000 0.917 311 L HN 0.150 nan 8.230 nan 0.000 0.441 312 K N 0.115 120.382 120.400 -0.220 0.000 2.148 312 K HA -0.106 4.438 4.320 0.375 0.000 0.204 312 K C -0.030 176.294 176.600 -0.459 0.000 1.050 312 K CA 1.278 57.341 56.287 -0.374 0.000 0.942 312 K CB -0.003 32.187 32.500 -0.517 0.000 0.724 312 K HN 0.359 nan 8.250 nan 0.000 0.446 313 H N -0.771 118.248 119.070 -0.085 0.000 2.541 313 H HA 0.238 5.018 4.556 0.374 0.000 0.246 313 H C -2.224 173.119 175.328 0.026 0.000 1.341 313 H CA -1.993 54.051 56.048 -0.006 0.000 1.469 313 H CB 1.522 31.316 29.762 0.054 0.000 1.472 313 H HN 0.108 nan 8.280 nan 0.000 0.503 314 P HA -0.192 nan 4.420 nan 0.000 0.222 314 P C 1.661 179.015 177.300 0.089 0.000 1.147 314 P CA 0.860 64.003 63.100 0.072 0.000 0.790 314 P CB 0.520 32.238 31.700 0.029 0.000 0.780 315 E N 0.200 120.463 120.200 0.105 0.000 2.106 315 E HA -0.102 4.472 4.350 0.375 0.000 0.192 315 E C 1.807 178.477 176.600 0.116 0.000 0.984 315 E CA 1.217 57.669 56.400 0.086 0.000 0.806 315 E CB -1.428 28.320 29.700 0.079 0.000 0.750 315 E HN 0.083 nan 8.360 nan 0.000 0.458 316 V N 2.150 122.180 119.914 0.193 0.000 2.343 316 V HA -0.219 4.126 4.120 0.375 0.000 0.247 316 V C 2.772 179.019 176.094 0.254 0.000 1.051 316 V CA 1.990 64.465 62.300 0.292 0.000 1.036 316 V CB -0.933 31.081 31.823 0.317 0.000 0.654 316 V HN 0.463 nan 8.190 nan 0.000 0.451 317 A N -0.226 122.700 122.820 0.178 0.000 1.933 317 A HA -0.117 4.428 4.320 0.375 0.000 0.218 317 A C 2.363 180.009 177.584 0.104 0.000 1.175 317 A CA 2.098 54.218 52.037 0.139 0.000 0.628 317 A CB -0.627 18.435 19.000 0.104 0.000 0.814 317 A HN 0.578 nan 8.150 nan 0.000 0.444 318 A N -0.330 122.534 122.820 0.074 0.000 1.929 318 A HA -0.057 4.487 4.320 0.375 0.000 0.216 318 A C 2.185 179.761 177.584 -0.012 0.000 1.176 318 A CA 1.181 53.236 52.037 0.029 0.000 0.628 318 A CB -0.353 18.657 19.000 0.016 0.000 0.816 318 A HN 0.525 nan 8.150 nan 0.000 0.444 319 R N -0.675 119.793 120.500 -0.054 0.000 2.189 319 R HA 0.012 4.577 4.340 0.375 0.000 0.218 319 R C 1.757 177.965 176.300 -0.153 0.000 1.074 319 R CA 1.009 56.956 56.100 -0.254 0.000 0.991 319 R CB -0.258 29.646 30.300 -0.660 0.000 0.883 319 R HN 0.388 nan 8.270 nan 0.000 0.457 320 V N 0.856 120.826 119.914 0.094 0.000 2.407 320 V HA -0.188 4.156 4.120 0.375 0.000 0.245 320 V C 2.150 178.289 176.094 0.076 0.000 1.041 320 V CA 1.528 63.936 62.300 0.180 0.000 1.040 320 V CB -0.294 31.655 31.823 0.209 0.000 0.671 320 V HN 0.300 nan 8.190 nan 0.000 0.455 321 Q N -0.496 119.333 119.800 0.048 0.000 2.124 321 Q HA -0.228 4.337 4.340 0.375 0.000 0.202 321 Q C 2.388 178.389 176.000 0.001 0.000 0.977 321 Q CA 1.547 57.364 55.803 0.024 0.000 0.850 321 Q CB -0.163 28.591 28.738 0.026 0.000 0.901 321 Q HN 0.580 nan 8.270 nan 0.000 0.429 322 E N 1.429 121.618 120.200 -0.018 0.000 2.017 322 E HA -0.251 4.324 4.350 0.375 0.000 0.193 322 E C 1.703 178.292 176.600 -0.019 0.000 0.997 322 E CA 1.374 57.754 56.400 -0.034 0.000 0.804 322 E CB 0.007 29.665 29.700 -0.071 0.000 0.757 322 E HN 0.363 nan 8.360 nan 0.000 0.448 323 E N 0.010 120.204 120.200 -0.010 0.000 2.160 323 E HA -0.155 4.420 4.350 0.375 0.000 0.195 323 E C 2.377 179.001 176.600 0.040 0.000 0.991 323 E CA 1.088 57.506 56.400 0.029 0.000 0.810 323 E CB -0.100 29.650 29.700 0.083 0.000 0.742 323 E HN 0.324 nan 8.360 nan 0.000 0.466 324 I N 1.023 121.611 120.570 0.031 0.000 2.202 324 I HA -0.261 4.134 4.170 0.375 0.000 0.242 324 I C 2.455 178.572 176.117 0.001 0.000 1.091 324 I CA 1.462 62.773 61.300 0.018 0.000 1.368 324 I CB -0.381 37.619 38.000 0.000 0.000 1.058 324 I HN 0.190 nan 8.210 nan 0.000 0.410 325 E N 1.719 121.912 120.200 -0.011 0.000 2.077 325 E HA -0.290 4.285 4.350 0.375 0.000 0.193 325 E C 2.146 178.733 176.600 -0.022 0.000 0.989 325 E CA 1.430 57.813 56.400 -0.028 0.000 0.800 325 E CB -0.485 29.196 29.700 -0.032 0.000 0.746 325 E HN 0.363 nan 8.360 nan 0.000 0.452 326 R N 0.386 120.881 120.500 -0.007 0.000 2.075 326 R HA -0.029 4.536 4.340 0.375 0.000 0.232 326 R C 1.881 178.188 176.300 0.012 0.000 1.126 326 R CA 1.600 57.700 56.100 0.000 0.000 0.963 326 R CB -0.125 30.176 30.300 0.003 0.000 0.858 326 R HN 0.223 nan 8.270 nan 0.000 0.435 327 V N 0.047 119.976 119.914 0.025 0.000 3.174 327 V HA 0.028 4.373 4.120 0.375 0.000 0.254 327 V C 1.758 177.877 176.094 0.041 0.000 1.120 327 V CA 1.048 63.372 62.300 0.040 0.000 1.114 327 V CB 0.233 32.094 31.823 0.064 0.000 0.756 327 V HN 0.330 nan 8.190 nan 0.000 0.467 328 I N -1.263 119.325 120.570 0.029 0.000 3.971 328 I HA 0.525 4.920 4.170 0.375 0.000 0.303 328 I C 1.197 177.312 176.117 -0.004 0.000 1.233 328 I CA 0.798 62.114 61.300 0.027 0.000 1.346 328 I CB 0.521 38.541 38.000 0.033 0.000 1.273 328 I HN 0.393 nan 8.210 nan 0.000 0.448 329 G N 1.903 110.682 108.800 -0.035 0.000 2.757 329 G HA2 -0.210 3.975 3.960 0.375 0.000 0.638 329 G HA3 -0.210 3.975 3.960 0.375 0.000 0.638 329 G C -0.004 174.808 174.900 -0.146 0.000 1.344 329 G CA -0.409 44.631 45.100 -0.099 0.000 0.855 329 G HN 0.306 nan 8.290 nan 0.000 0.537 330 R N -0.477 119.840 120.500 -0.305 0.000 2.359 330 R HA 0.272 4.837 4.340 0.375 0.000 0.231 330 R C 1.492 177.652 176.300 -0.234 0.000 0.913 330 R CA 0.944 56.878 56.100 -0.276 0.000 1.075 330 R CB 0.211 30.344 30.300 -0.278 0.000 1.087 330 R HN 0.752 nan 8.270 nan 0.000 0.515 331 H N 0.643 119.716 119.070 0.006 0.000 2.368 331 H HA 0.103 4.884 4.556 0.375 0.000 0.311 331 H C 0.565 175.898 175.328 0.008 0.000 1.042 331 H CA -0.281 55.771 56.048 0.006 0.000 1.377 331 H CB 0.306 30.073 29.762 0.009 0.000 1.473 331 H HN 0.007 nan 8.280 nan 0.000 0.593 332 R N 1.353 121.931 120.500 0.130 0.000 2.560 332 R HA 0.357 4.921 4.340 0.375 0.000 0.270 332 R C -0.545 175.789 176.300 0.056 0.000 1.074 332 R CA -0.498 55.652 56.100 0.083 0.000 1.140 332 R CB 0.841 31.186 30.300 0.074 0.000 1.073 332 R HN -0.103 nan 8.270 nan 0.000 0.527 333 S N 3.010 118.742 115.700 0.053 0.000 2.549 333 S HA 0.198 4.893 4.470 0.375 0.000 0.279 333 S C -1.909 172.725 174.600 0.057 0.000 1.321 333 S CA -0.893 57.337 58.200 0.049 0.000 1.054 333 S CB 0.578 63.808 63.200 0.050 0.000 0.899 333 S HN 0.600 nan 8.310 nan 0.000 0.497 334 P HA 0.272 nan 4.420 nan 0.000 0.272 334 P C -0.461 176.910 177.300 0.119 0.000 1.240 334 P CA -0.420 62.733 63.100 0.087 0.000 0.791 334 P CB 0.206 31.933 31.700 0.045 0.000 0.978 335 C N 0.456 119.859 119.300 0.172 0.000 3.241 335 C HA 0.427 5.111 4.460 0.375 0.000 0.312 335 C C 1.731 176.802 174.990 0.134 0.000 1.350 335 C CA -0.873 58.224 59.018 0.131 0.000 1.415 335 C CB 0.598 28.383 27.740 0.074 0.000 1.770 335 C HN 0.421 nan 8.230 nan 0.000 0.466 336 M N 1.181 120.798 119.600 0.028 0.000 2.260 336 M HA -0.118 4.586 4.480 0.375 0.000 0.261 336 M C 2.081 178.280 176.300 -0.170 0.000 1.066 336 M CA 1.581 56.804 55.300 -0.128 0.000 1.082 336 M CB -1.215 31.314 32.600 -0.119 0.000 1.388 336 M HN 0.804 nan 8.290 nan 0.000 0.419 337 Q N 0.437 120.199 119.800 -0.064 0.000 2.226 337 Q HA -0.147 4.418 4.340 0.375 0.000 0.204 337 Q C 1.498 177.460 176.000 -0.063 0.000 0.975 337 Q CA 1.153 56.925 55.803 -0.053 0.000 0.866 337 Q CB -0.388 28.347 28.738 -0.005 0.000 0.915 337 Q HN 0.550 nan 8.270 nan 0.000 0.440 338 D N 0.092 120.477 120.400 -0.025 0.000 2.178 338 D HA -0.148 4.717 4.640 0.375 0.000 0.202 338 D C 1.844 178.117 176.300 -0.045 0.000 0.974 338 D CA 0.618 54.647 54.000 0.048 0.000 0.841 338 D CB -0.156 40.784 40.800 0.234 0.000 0.953 338 D HN 0.217 nan 8.370 nan 0.000 0.478 339 R N 0.970 121.211 120.500 -0.432 0.000 2.117 339 R HA -0.156 4.409 4.340 0.375 0.000 0.243 339 R C 2.280 178.402 176.300 -0.297 0.000 1.143 339 R CA 1.834 57.525 56.100 -0.681 0.000 0.968 339 R CB 0.008 29.609 30.300 -1.166 0.000 0.863 339 R HN 0.194 nan 8.270 nan 0.000 0.444 340 S N -0.241 115.333 115.700 -0.210 0.000 2.402 340 S HA -0.089 4.605 4.470 0.375 0.000 0.229 340 S C 1.660 176.231 174.600 -0.049 0.000 1.021 340 S CA 0.847 58.977 58.200 -0.118 0.000 0.974 340 S CB -0.108 63.043 63.200 -0.082 0.000 0.800 340 S HN 0.277 nan 8.310 nan 0.000 0.484 341 R N 0.420 120.905 120.500 -0.024 0.000 2.356 341 R HA 0.414 4.979 4.340 0.375 0.000 0.234 341 R C 0.047 176.381 176.300 0.057 0.000 0.929 341 R CA 0.264 56.377 56.100 0.022 0.000 1.084 341 R CB -0.113 30.204 30.300 0.029 0.000 1.105 341 R HN 0.453 nan 8.270 nan 0.000 0.515 342 M N 0.665 120.302 119.600 0.061 0.000 2.952 342 M HA 0.219 4.923 4.480 0.375 0.000 0.259 342 M C -1.830 174.535 176.300 0.108 0.000 1.306 342 M CA -1.478 53.898 55.300 0.126 0.000 0.626 342 M CB 1.824 34.561 32.600 0.228 0.000 1.423 342 M HN -0.158 nan 8.290 nan 0.000 0.459 343 P HA -0.242 nan 4.420 nan 0.000 0.217 343 P C 1.089 178.496 177.300 0.179 0.000 1.148 343 P CA 1.687 64.868 63.100 0.136 0.000 0.828 343 P CB 0.100 31.906 31.700 0.176 0.000 0.783 344 Y N 1.217 121.572 120.300 0.092 0.000 2.184 344 Y HA -0.118 4.657 4.550 0.375 0.000 0.290 344 Y C 2.441 178.395 175.900 0.089 0.000 1.129 344 Y CA 2.250 60.404 58.100 0.089 0.000 1.144 344 Y CB -0.924 37.574 38.460 0.063 0.000 0.995 344 Y HN -0.117 nan 8.280 nan 0.000 0.513 345 T N -0.192 114.484 114.554 0.203 0.000 2.788 345 T HA -0.192 4.382 4.350 0.375 0.000 0.268 345 T C 1.374 176.113 174.700 0.064 0.000 1.044 345 T CA 1.664 63.846 62.100 0.137 0.000 1.139 345 T CB -0.390 68.594 68.868 0.194 0.000 0.867 345 T HN 0.343 nan 8.240 nan 0.000 0.454 346 D N 1.088 121.510 120.400 0.036 0.000 2.117 346 D HA 0.040 4.905 4.640 0.375 0.000 0.198 346 D C 2.219 178.457 176.300 -0.102 0.000 0.982 346 D CA 1.043 54.977 54.000 -0.111 0.000 0.828 346 D CB -0.319 40.199 40.800 -0.471 0.000 0.967 346 D HN 0.354 nan 8.370 nan 0.000 0.464 347 A N -0.271 122.534 122.820 -0.025 0.000 2.015 347 A HA -0.056 4.489 4.320 0.375 0.000 0.219 347 A C 2.414 179.930 177.584 -0.112 0.000 1.163 347 A CA 1.005 53.094 52.037 0.087 0.000 0.646 347 A CB -0.418 18.647 19.000 0.109 0.000 0.806 347 A HN 0.199 nan 8.150 nan 0.000 0.448 348 V N 0.165 119.961 119.914 -0.197 0.000 2.379 348 V HA -0.204 4.141 4.120 0.375 0.000 0.245 348 V C 2.365 178.452 176.094 -0.012 0.000 1.044 348 V CA 1.809 64.017 62.300 -0.154 0.000 1.036 348 V CB -0.519 31.234 31.823 -0.116 0.000 0.664 348 V HN 0.582 nan 8.190 nan 0.000 0.453 349 I N -0.582 119.994 120.570 0.010 0.000 2.315 349 I HA -0.231 4.164 4.170 0.375 0.000 0.248 349 I C 2.463 178.554 176.117 -0.042 0.000 1.117 349 I CA 1.565 62.886 61.300 0.035 0.000 1.404 349 I CB -0.530 37.513 38.000 0.072 0.000 1.071 349 I HN 0.370 nan 8.210 nan 0.000 0.419 350 H N 0.283 119.174 119.070 -0.299 0.000 2.357 350 H HA -0.182 4.599 4.556 0.375 0.000 0.301 350 H C 2.115 177.189 175.328 -0.424 0.000 1.082 350 H CA 1.571 57.234 56.048 -0.641 0.000 1.342 350 H CB -0.020 28.804 29.762 -1.564 0.000 1.389 350 H HN 0.190 nan 8.280 nan 0.000 0.511 351 E N 0.445 120.512 120.200 -0.221 0.000 2.204 351 E HA -0.083 4.492 4.350 0.375 0.000 0.194 351 E C 1.870 178.587 176.600 0.196 0.000 0.989 351 E CA 0.737 57.139 56.400 0.003 0.000 0.824 351 E CB -0.252 29.312 29.700 -0.227 0.000 0.756 351 E HN 0.496 nan 8.360 nan 0.000 0.477 352 I N 0.167 120.887 120.570 0.249 0.000 2.193 352 I HA -0.257 4.137 4.170 0.375 0.000 0.240 352 I C 2.459 178.681 176.117 0.174 0.000 1.084 352 I CA 1.093 62.587 61.300 0.323 0.000 1.365 352 I CB -0.304 37.828 38.000 0.219 0.000 1.064 352 I HN 0.147 nan 8.210 nan 0.000 0.410 353 Q N 0.197 120.061 119.800 0.106 0.000 2.135 353 Q HA -0.258 4.307 4.340 0.375 0.000 0.204 353 Q C 2.351 178.348 176.000 -0.006 0.000 0.981 353 Q CA 1.445 57.252 55.803 0.007 0.000 0.856 353 Q CB -0.229 28.501 28.738 -0.013 0.000 0.902 353 Q HN 0.403 nan 8.270 nan 0.000 0.425 354 R N -0.109 120.466 120.500 0.126 0.000 2.093 354 R HA -0.103 4.462 4.340 0.375 0.000 0.224 354 R C 2.033 178.401 176.300 0.113 0.000 1.101 354 R CA 0.831 56.985 56.100 0.091 0.000 0.979 354 R CB -0.166 30.234 30.300 0.167 0.000 0.877 354 R HN 0.235 nan 8.270 nan 0.000 0.441 355 F N 1.985 121.945 119.950 0.016 0.000 2.163 355 F HA -0.103 4.650 4.527 0.376 0.000 0.297 355 F C 2.037 177.839 175.800 0.005 0.000 1.094 355 F CA 1.511 59.516 58.000 0.007 0.000 1.290 355 F CB -0.110 39.003 39.000 0.188 0.000 1.017 355 F HN 0.043 nan 8.300 nan 0.000 0.483 356 I N -1.676 118.876 120.570 -0.029 0.000 2.546 356 I HA -0.069 4.326 4.170 0.375 0.000 0.255 356 I C 0.496 176.514 176.117 -0.165 0.000 1.163 356 I CA 1.122 62.239 61.300 -0.305 0.000 1.457 356 I CB -0.863 36.795 38.000 -0.570 0.000 1.092 356 I HN 0.165 nan 8.210 nan 0.000 0.434 357 D N 0.781 121.128 120.400 -0.088 0.000 2.737 357 D HA -0.228 4.637 4.640 0.375 0.000 0.238 357 D C 0.775 177.015 176.300 -0.101 0.000 1.157 357 D CA 0.629 54.560 54.000 -0.115 0.000 0.694 357 D CB -0.996 39.691 40.800 -0.188 0.000 1.021 357 D HN 0.475 nan 8.370 nan 0.000 0.420 358 L N 0.294 121.456 121.223 -0.101 0.000 2.034 358 L HA -0.085 4.479 4.340 0.375 0.000 0.217 358 L C 1.013 177.852 176.870 -0.050 0.000 1.077 358 L CA 1.903 56.706 54.840 -0.062 0.000 0.769 358 L CB -0.054 41.944 42.059 -0.100 0.000 0.890 358 L HN 0.464 nan 8.230 nan 0.000 0.435 359 L N -0.645 120.531 121.223 -0.079 0.000 2.457 359 L HA 0.310 4.875 4.340 0.375 0.000 0.252 359 L C -1.659 175.197 176.870 -0.023 0.000 1.132 359 L CA -1.061 53.757 54.840 -0.037 0.000 0.938 359 L CB 0.878 42.897 42.059 -0.067 0.000 1.246 359 L HN -0.119 nan 8.230 nan 0.000 0.476 360 P HA -0.190 nan 4.420 nan 0.000 0.216 360 P C 1.022 178.335 177.300 0.021 0.000 1.154 360 P CA 1.511 64.594 63.100 -0.028 0.000 0.865 360 P CB 0.118 31.811 31.700 -0.012 0.000 0.789 361 T N -6.016 108.598 114.554 0.099 0.000 3.215 361 T HA 0.290 4.865 4.350 0.375 0.000 0.271 361 T C 0.394 175.148 174.700 0.091 0.000 1.012 361 T CA -0.527 61.655 62.100 0.138 0.000 0.899 361 T CB -1.117 67.953 68.868 0.337 0.000 1.089 361 T HN 0.119 nan 8.240 nan 0.000 0.552 362 N N -0.244 118.487 118.700 0.052 0.000 1.673 362 N HA -0.192 4.773 4.740 0.375 0.000 0.120 362 N C -1.220 174.340 175.510 0.083 0.000 0.843 362 N CA 0.700 53.776 53.050 0.042 0.000 0.859 362 N CB -0.809 37.703 38.487 0.042 0.000 0.883 362 N HN 0.381 nan 8.380 nan 0.000 0.676 363 L N 1.249 122.518 121.223 0.078 0.000 2.334 363 L HA 0.560 5.125 4.340 0.375 0.000 0.273 363 L C -1.989 174.919 176.870 0.064 0.000 1.013 363 L CA -1.651 53.240 54.840 0.085 0.000 0.816 363 L CB 1.685 43.729 42.059 -0.023 0.000 1.278 363 L HN 0.492 nan 8.230 nan 0.000 0.431 364 P HA 0.059 nan 4.420 nan 0.000 0.267 364 P C -0.875 176.381 177.300 -0.074 0.000 1.205 364 P CA 0.263 63.349 63.100 -0.023 0.000 0.765 364 P CB 0.683 32.351 31.700 -0.053 0.000 0.828 365 H N 1.209 120.201 119.070 -0.130 0.000 2.760 365 H HA 0.752 5.532 4.556 0.374 0.000 0.301 365 H C -0.184 175.060 175.328 -0.139 0.000 1.498 365 H CA -0.789 55.185 56.048 -0.125 0.000 1.525 365 H CB 2.042 31.757 29.762 -0.078 0.000 1.771 365 H HN 0.571 nan 8.280 nan 0.000 0.827 366 A N 0.562 123.376 122.820 -0.009 0.000 2.594 366 A HA 0.351 4.895 4.320 0.375 0.000 0.296 366 A C -0.810 176.666 177.584 -0.179 0.000 1.056 366 A CA -0.634 51.335 52.037 -0.113 0.000 0.693 366 A CB 0.484 19.407 19.000 -0.129 0.000 1.278 366 A HN 0.418 nan 8.150 nan 0.000 0.408 367 V N 0.170 119.914 119.914 -0.284 0.000 2.775 367 V HA 0.592 4.937 4.120 0.375 0.000 0.299 367 V C 1.051 176.988 176.094 -0.262 0.000 1.062 367 V CA 0.701 62.758 62.300 -0.404 0.000 1.063 367 V CB 0.689 32.189 31.823 -0.538 0.000 0.994 367 V HN 1.417 nan 8.190 nan 0.000 0.483 368 T N -0.253 114.158 114.554 -0.238 0.000 3.086 368 T HA 0.374 4.949 4.350 0.375 0.000 0.250 368 T C 0.462 175.093 174.700 -0.116 0.000 1.074 368 T CA 0.363 62.377 62.100 -0.143 0.000 0.988 368 T CB -0.166 68.644 68.868 -0.096 0.000 0.988 368 T HN 1.044 nan 8.240 nan 0.000 0.530 369 R N 0.127 120.534 120.500 -0.154 0.000 2.728 369 R HA 0.353 4.918 4.340 0.375 0.000 0.274 369 R C -2.393 173.809 176.300 -0.164 0.000 1.032 369 R CA -0.553 55.480 56.100 -0.112 0.000 0.866 369 R CB 0.114 30.374 30.300 -0.068 0.000 1.263 369 R HN -0.122 nan 8.270 nan 0.000 0.475 370 D N 1.551 121.883 120.400 -0.113 0.000 2.425 370 D HA 0.295 5.160 4.640 0.375 0.000 0.247 370 D C -0.155 176.037 176.300 -0.179 0.000 1.147 370 D CA 0.473 54.362 54.000 -0.185 0.000 0.879 370 D CB 1.097 41.918 40.800 0.034 0.000 1.179 370 D HN 0.426 nan 8.370 nan 0.000 0.456 371 V N 0.067 119.791 119.914 -0.317 0.000 2.789 371 V HA 0.642 4.987 4.120 0.375 0.000 0.311 371 V C -0.674 175.383 176.094 -0.062 0.000 1.073 371 V CA -1.341 60.873 62.300 -0.144 0.000 0.921 371 V CB 2.075 33.803 31.823 -0.158 0.000 1.009 371 V HN 0.367 nan 8.190 nan 0.000 0.426 372 R N 2.609 123.174 120.500 0.108 0.000 2.369 372 R HA 0.510 5.075 4.340 0.375 0.000 0.310 372 R C -0.967 175.467 176.300 0.223 0.000 1.141 372 R CA -0.631 55.586 56.100 0.195 0.000 1.116 372 R CB -0.142 30.272 30.300 0.190 0.000 1.135 372 R HN 0.705 nan 8.270 nan 0.000 0.529 373 F N 4.556 124.592 119.950 0.142 0.000 2.464 373 F HA 0.278 5.030 4.527 0.375 0.000 0.353 373 F C 0.803 176.726 175.800 0.205 0.000 1.191 373 F CA 0.227 58.338 58.000 0.184 0.000 1.147 373 F CB -0.166 38.966 39.000 0.221 0.000 1.294 373 F HN 0.696 nan 8.300 nan 0.000 0.583 374 R N 2.298 122.700 120.500 -0.164 0.000 4.030 374 R HA -0.365 4.200 4.340 0.375 0.000 0.294 374 R C 0.083 176.372 176.300 -0.018 0.000 0.243 374 R CA 1.867 57.893 56.100 -0.123 0.000 1.002 374 R CB -1.092 29.126 30.300 -0.136 0.000 1.009 374 R HN 0.667 nan 8.270 nan 0.000 0.555 375 N N -0.026 118.632 118.700 -0.070 0.000 2.458 375 N HA 0.288 5.253 4.740 0.375 0.000 0.274 375 N C -1.254 174.052 175.510 -0.340 0.000 1.242 375 N CA -0.113 52.827 53.050 -0.185 0.000 0.904 375 N CB 0.473 38.810 38.487 -0.250 0.000 1.206 375 N HN 0.164 nan 8.380 nan 0.000 0.510 376 Y N -0.425 119.972 120.300 0.163 0.000 2.605 376 Y HA 0.430 5.205 4.550 0.375 0.000 0.343 376 Y C -1.068 174.986 175.900 0.256 0.000 1.036 376 Y CA -1.270 56.953 58.100 0.205 0.000 1.065 376 Y CB 1.678 40.271 38.460 0.221 0.000 1.288 376 Y HN -0.071 nan 8.280 nan 0.000 0.481 377 F N 3.515 123.631 119.950 0.276 0.000 2.449 377 F HA 0.663 5.413 4.527 0.373 0.000 0.342 377 F C -1.299 174.570 175.800 0.116 0.000 1.127 377 F CA -0.744 57.351 58.000 0.158 0.000 0.975 377 F CB 0.568 39.629 39.000 0.101 0.000 1.146 377 F HN 0.252 nan 8.300 nan 0.000 0.444 378 I N 8.736 128.923 120.570 -0.637 0.000 2.382 378 I HA 0.331 4.726 4.170 0.375 0.000 0.285 378 I C -2.370 173.275 176.117 -0.787 0.000 1.007 378 I CA -2.118 58.865 61.300 -0.529 0.000 1.142 378 I CB 1.714 39.530 38.000 -0.308 0.000 1.289 378 I HN 0.369 nan 8.210 nan 0.000 0.453 379 P HA 0.084 nan 4.420 nan 0.000 0.285 379 P C -0.630 176.529 177.300 -0.236 0.000 1.259 379 P CA -0.643 62.241 63.100 -0.361 0.000 0.794 379 P CB 1.081 32.736 31.700 -0.075 0.000 0.940 380 K N 2.439 122.729 120.400 -0.183 0.000 2.476 380 K HA -0.029 4.516 4.320 0.375 0.000 0.273 380 K C 1.129 177.653 176.600 -0.128 0.000 1.056 380 K CA 1.534 57.730 56.287 -0.150 0.000 1.150 380 K CB -0.985 31.460 32.500 -0.091 0.000 0.838 380 K HN 0.838 nan 8.250 nan 0.000 0.486 381 G N 2.558 111.269 108.800 -0.149 0.000 2.194 381 G HA2 -0.237 3.948 3.960 0.375 0.000 0.236 381 G HA3 -0.237 3.948 3.960 0.375 0.000 0.236 381 G C 0.091 174.908 174.900 -0.138 0.000 0.987 381 G CA 0.179 45.205 45.100 -0.124 0.000 0.635 381 G HN 0.693 nan 8.290 nan 0.000 0.520 382 T N 2.097 116.549 114.554 -0.170 0.000 2.916 382 T HA 0.415 4.990 4.350 0.375 0.000 0.303 382 T C 0.159 174.744 174.700 -0.191 0.000 1.025 382 T CA 0.390 62.382 62.100 -0.179 0.000 1.142 382 T CB 0.993 69.738 68.868 -0.204 0.000 0.947 382 T HN 0.303 nan 8.240 nan 0.000 0.544 383 D N 2.160 122.443 120.400 -0.195 0.000 2.414 383 D HA 0.268 5.133 4.640 0.375 0.000 0.242 383 D C 0.074 176.233 176.300 -0.235 0.000 1.129 383 D CA 0.123 53.998 54.000 -0.207 0.000 0.885 383 D CB 0.419 41.076 40.800 -0.237 0.000 1.198 383 D HN 0.258 nan 8.370 nan 0.000 0.437 384 I N 2.394 122.848 120.570 -0.193 0.000 2.608 384 I HA 0.445 4.840 4.170 0.375 0.000 0.295 384 I C -0.349 175.634 176.117 -0.224 0.000 1.049 384 I CA -0.606 60.580 61.300 -0.190 0.000 1.063 384 I CB 1.525 39.499 38.000 -0.043 0.000 1.248 384 I HN 0.314 nan 8.210 nan 0.000 0.424 385 I N 4.215 124.608 120.570 -0.295 0.000 2.478 385 I HA 0.217 4.612 4.170 0.375 0.000 0.287 385 I C -0.050 175.941 176.117 -0.209 0.000 1.042 385 I CA -0.398 60.736 61.300 -0.277 0.000 1.067 385 I CB 2.480 40.220 38.000 -0.433 0.000 1.233 385 I HN 0.633 nan 8.210 nan 0.000 0.431 386 T N 1.521 115.978 114.554 -0.161 0.000 2.767 386 T HA 0.299 4.874 4.350 0.375 0.000 0.288 386 T C 0.006 174.666 174.700 -0.066 0.000 0.963 386 T CA -0.641 61.367 62.100 -0.154 0.000 1.019 386 T CB 1.626 70.369 68.868 -0.209 0.000 0.923 386 T HN 0.435 nan 8.240 nan 0.000 0.468 387 S N 3.625 119.301 115.700 -0.039 0.000 2.411 387 S HA 0.251 4.946 4.470 0.375 0.000 0.304 387 S C 1.198 175.750 174.600 -0.081 0.000 1.098 387 S CA -0.893 57.297 58.200 -0.016 0.000 1.068 387 S CB -0.708 62.504 63.200 0.020 0.000 1.032 387 S HN 0.704 nan 8.310 nan 0.000 0.511 388 L N 4.061 125.244 121.223 -0.067 0.000 2.217 388 L HA -0.042 4.523 4.340 0.375 0.000 0.211 388 L C 2.516 179.321 176.870 -0.108 0.000 1.107 388 L CA 0.936 55.729 54.840 -0.079 0.000 0.783 388 L CB -0.745 41.266 42.059 -0.081 0.000 0.919 388 L HN 0.573 nan 8.230 nan 0.000 0.442 389 T N -0.651 113.808 114.554 -0.159 0.000 2.759 389 T HA -0.182 4.393 4.350 0.375 0.000 0.269 389 T C 2.105 176.687 174.700 -0.196 0.000 1.042 389 T CA 1.643 63.568 62.100 -0.290 0.000 1.140 389 T CB -0.245 68.463 68.868 -0.267 0.000 0.864 389 T HN 0.549 nan 8.240 nan 0.000 0.455 390 S N 0.879 116.464 115.700 -0.191 0.000 2.402 390 S HA -0.046 4.649 4.470 0.375 0.000 0.229 390 S C 2.076 176.674 174.600 -0.004 0.000 1.021 390 S CA 0.712 58.765 58.200 -0.245 0.000 0.974 390 S CB -0.656 62.071 63.200 -0.789 0.000 0.800 390 S HN 0.334 nan 8.310 nan 0.000 0.484 391 V N 1.946 121.892 119.914 0.053 0.000 2.341 391 V HA 0.082 4.427 4.120 0.375 0.000 0.240 391 V C 2.537 178.857 176.094 0.376 0.000 1.035 391 V CA 1.215 63.656 62.300 0.235 0.000 1.033 391 V CB -0.852 31.061 31.823 0.149 0.000 0.678 391 V HN 0.410 nan 8.190 nan 0.000 0.464 392 L N -0.109 121.252 121.223 0.229 0.000 2.129 392 L HA -0.223 4.341 4.340 0.375 0.000 0.212 392 L C 1.907 178.965 176.870 0.314 0.000 1.087 392 L CA 1.800 56.781 54.840 0.235 0.000 0.757 392 L CB -0.647 41.473 42.059 0.101 0.000 0.896 392 L HN 0.531 nan 8.230 nan 0.000 0.434 393 H N -1.627 117.481 119.070 0.062 0.000 2.487 393 H HA 0.088 4.869 4.556 0.375 0.000 0.290 393 H C 0.078 175.484 175.328 0.129 0.000 1.081 393 H CA -0.663 55.411 56.048 0.043 0.000 1.116 393 H CB 0.337 30.092 29.762 -0.011 0.000 1.560 393 H HN 0.233 nan 8.280 nan 0.000 0.548 394 D N 2.325 122.930 120.400 0.342 0.000 2.586 394 D HA -0.125 4.740 4.640 0.375 0.000 0.234 394 D C 1.143 177.504 176.300 0.103 0.000 1.132 394 D CA 0.504 54.632 54.000 0.213 0.000 0.860 394 D CB 0.954 41.864 40.800 0.184 0.000 1.159 394 D HN 0.503 nan 8.370 nan 0.000 0.490 395 E N 3.227 123.472 120.200 0.074 0.000 2.204 395 E HA -0.195 4.380 4.350 0.375 0.000 0.195 395 E C 1.204 177.784 176.600 -0.033 0.000 0.990 395 E CA 1.055 57.478 56.400 0.038 0.000 0.821 395 E CB 0.349 30.081 29.700 0.053 0.000 0.750 395 E HN 0.452 nan 8.360 nan 0.000 0.477 396 K N -0.632 119.703 120.400 -0.108 0.000 2.168 396 K HA 0.118 4.662 4.320 0.375 0.000 0.201 396 K C 2.020 178.398 176.600 -0.371 0.000 1.049 396 K CA 0.625 56.799 56.287 -0.187 0.000 0.974 396 K CB 0.208 32.607 32.500 -0.167 0.000 0.792 396 K HN 0.025 nan 8.250 nan 0.000 0.463 397 A N 0.651 123.087 122.820 -0.641 0.000 2.066 397 A HA 0.007 4.552 4.320 0.375 0.000 0.218 397 A C 0.418 177.284 177.584 -1.197 0.000 1.157 397 A CA 0.892 52.252 52.037 -1.128 0.000 0.670 397 A CB -0.102 17.730 19.000 -1.946 0.000 0.804 397 A HN 0.227 nan 8.150 nan 0.000 0.453 398 F N -0.797 118.944 119.950 -0.348 0.000 2.872 398 F HA 0.311 5.062 4.527 0.374 0.000 0.365 398 F C -2.832 172.867 175.800 -0.168 0.000 1.296 398 F CA -2.196 55.574 58.000 -0.384 0.000 1.199 398 F CB 1.204 39.809 39.000 -0.659 0.000 1.687 398 F HN -0.115 nan 8.300 nan 0.000 0.604 399 P HA -0.076 nan 4.420 nan 0.000 0.260 399 P C -0.119 177.317 177.300 0.228 0.000 1.172 399 P CA 0.767 63.933 63.100 0.110 0.000 0.760 399 P CB 0.257 31.993 31.700 0.059 0.000 0.773 400 N N 2.062 120.847 118.700 0.141 0.000 2.726 400 N HA -0.112 4.853 4.740 0.375 0.000 0.253 400 N C -1.586 174.027 175.510 0.171 0.000 1.059 400 N CA 0.164 53.302 53.050 0.145 0.000 0.701 400 N CB -0.768 37.801 38.487 0.137 0.000 0.899 400 N HN 0.434 nan 8.380 nan 0.000 0.548 401 P HA -0.105 nan 4.420 nan 0.000 0.230 401 P C 0.841 178.042 177.300 -0.165 0.000 1.158 401 P CA 1.006 64.055 63.100 -0.085 0.000 0.769 401 P CB 0.352 32.028 31.700 -0.041 0.000 0.807 402 K N -0.456 119.943 120.400 -0.002 0.000 2.374 402 K HA 0.196 4.741 4.320 0.375 0.000 0.196 402 K C 0.452 177.236 176.600 0.307 0.000 1.023 402 K CA -0.130 56.178 56.287 0.035 0.000 1.103 402 K CB 0.522 33.059 32.500 0.061 0.000 0.848 402 K HN 0.108 nan 8.250 nan 0.000 0.528 403 V N 2.342 122.435 119.914 0.298 0.000 2.394 403 V HA 0.223 4.568 4.120 0.375 0.000 0.282 403 V C -0.333 175.937 176.094 0.292 0.000 1.031 403 V CA -1.016 61.467 62.300 0.304 0.000 0.881 403 V CB 0.846 32.775 31.823 0.177 0.000 0.982 403 V HN 0.071 nan 8.190 nan 0.000 0.451 404 F N 5.156 125.050 119.950 -0.094 0.000 2.471 404 F HA 0.471 5.222 4.527 0.374 0.000 0.365 404 F C 0.051 175.649 175.800 -0.337 0.000 1.095 404 F CA 0.265 58.001 58.000 -0.440 0.000 1.174 404 F CB 0.383 38.752 39.000 -1.051 0.000 1.105 404 F HN 0.579 nan 8.300 nan 0.000 0.535 405 D N 8.250 128.261 120.400 -0.647 0.000 2.613 405 D HA 0.280 5.145 4.640 0.375 0.000 0.230 405 D C -2.405 173.565 176.300 -0.551 0.000 1.365 405 D CA -1.974 51.690 54.000 -0.560 0.000 0.976 405 D CB 2.216 42.742 40.800 -0.457 0.000 1.415 405 D HN 0.140 nan 8.370 nan 0.000 0.589 406 P HA 0.030 nan 4.420 nan 0.000 0.221 406 P C 1.368 178.572 177.300 -0.161 0.000 1.145 406 P CA 0.943 63.828 63.100 -0.358 0.000 0.795 406 P CB 0.322 31.737 31.700 -0.476 0.000 0.775 407 G N -1.197 107.481 108.800 -0.202 0.000 2.501 407 G HA2 -0.273 3.912 3.960 0.375 0.000 0.220 407 G HA3 -0.273 3.912 3.960 0.375 0.000 0.220 407 G C 1.116 175.918 174.900 -0.163 0.000 1.114 407 G CA 0.653 45.658 45.100 -0.159 0.000 0.757 407 G HN 0.373 nan 8.290 nan 0.000 0.559 408 H N -1.127 117.894 119.070 -0.082 0.000 2.456 408 H HA 0.017 4.798 4.556 0.375 0.000 0.296 408 H C 0.754 175.804 175.328 -0.463 0.000 1.079 408 H CA 0.885 56.821 56.048 -0.186 0.000 1.322 408 H CB -0.030 29.658 29.762 -0.124 0.000 1.388 408 H HN 0.462 nan 8.280 nan 0.000 0.538 409 F N 0.087 120.037 119.950 0.001 0.000 2.855 409 F HA 0.258 5.010 4.527 0.374 0.000 0.317 409 F C -0.741 174.910 175.800 -0.249 0.000 1.169 409 F CA -0.336 57.545 58.000 -0.199 0.000 1.299 409 F CB 0.852 39.762 39.000 -0.149 0.000 0.962 409 F HN -0.059 nan 8.300 nan 0.000 0.506 410 L N 1.072 122.254 121.223 -0.068 0.000 2.464 410 L HA 0.341 4.906 4.340 0.375 0.000 0.266 410 L C -0.309 176.518 176.870 -0.071 0.000 0.965 410 L CA -1.037 53.782 54.840 -0.035 0.000 0.833 410 L CB 1.420 43.498 42.059 0.032 0.000 1.296 410 L HN 0.090 nan 8.230 nan 0.000 0.405 411 D N 1.406 121.769 120.400 -0.062 0.000 2.440 411 D HA 0.089 4.953 4.640 0.375 0.000 0.269 411 D C 0.823 177.103 176.300 -0.034 0.000 1.249 411 D CA -0.183 53.779 54.000 -0.063 0.000 1.055 411 D CB 0.450 41.213 40.800 -0.062 0.000 1.104 411 D HN 0.643 nan 8.370 nan 0.000 0.561 412 E N -1.005 119.175 120.200 -0.033 0.000 2.418 412 E HA -0.066 4.509 4.350 0.375 0.000 0.197 412 E C 0.660 177.256 176.600 -0.008 0.000 1.026 412 E CA 0.477 56.864 56.400 -0.022 0.000 0.862 412 E CB -0.264 29.420 29.700 -0.026 0.000 0.799 412 E HN 0.225 nan 8.360 nan 0.000 0.518 413 S N 0.086 115.785 115.700 -0.002 0.000 2.557 413 S HA 0.300 4.995 4.470 0.375 0.000 0.223 413 S C 1.166 175.781 174.600 0.025 0.000 0.969 413 S CA 0.137 58.342 58.200 0.008 0.000 0.927 413 S CB 0.963 64.167 63.200 0.006 0.000 0.806 413 S HN 0.577 nan 8.310 nan 0.000 0.489 414 G N 2.488 111.309 108.800 0.034 0.000 2.143 414 G HA2 -0.226 3.959 3.960 0.375 0.000 0.248 414 G HA3 -0.226 3.959 3.960 0.375 0.000 0.248 414 G C -0.230 174.723 174.900 0.088 0.000 0.991 414 G CA -0.349 44.793 45.100 0.069 0.000 0.689 414 G HN 0.463 nan 8.290 nan 0.000 0.522 415 N N -0.591 118.147 118.700 0.063 0.000 2.492 415 N HA 0.478 5.442 4.740 0.375 0.000 0.289 415 N C -0.032 175.538 175.510 0.099 0.000 1.133 415 N CA -0.552 52.549 53.050 0.084 0.000 0.961 415 N CB 1.017 39.536 38.487 0.053 0.000 1.186 415 N HN 0.157 nan 8.380 nan 0.000 0.493 416 F N 1.202 121.148 119.950 -0.007 0.000 2.572 416 F HA 0.004 4.756 4.527 0.374 0.000 0.370 416 F C 0.722 176.502 175.800 -0.032 0.000 1.103 416 F CA 0.278 58.258 58.000 -0.033 0.000 1.286 416 F CB 0.546 39.503 39.000 -0.071 0.000 1.105 416 F HN 0.255 nan 8.300 nan 0.000 0.583 417 K N 6.841 126.698 120.400 -0.905 0.000 2.502 417 K HA 0.296 4.840 4.320 0.375 0.000 0.254 417 K C -0.914 175.194 176.600 -0.820 0.000 0.947 417 K CA -0.779 55.121 56.287 -0.645 0.000 0.834 417 K CB 0.984 33.267 32.500 -0.362 0.000 1.112 417 K HN 0.603 nan 8.250 nan 0.000 0.427 418 K N 1.255 121.343 120.400 -0.520 0.000 2.276 418 K HA 0.126 4.671 4.320 0.375 0.000 0.259 418 K C -0.370 176.177 176.600 -0.090 0.000 1.001 418 K CA -0.061 56.097 56.287 -0.215 0.000 0.927 418 K CB 1.211 33.703 32.500 -0.014 0.000 0.969 418 K HN 0.410 nan 8.250 nan 0.000 0.490 419 S N 0.458 116.232 115.700 0.124 0.000 2.575 419 S HA 0.128 4.823 4.470 0.375 0.000 0.278 419 S C -0.115 174.656 174.600 0.284 0.000 1.139 419 S CA -0.809 57.463 58.200 0.119 0.000 0.954 419 S CB 1.149 64.400 63.200 0.085 0.000 1.054 419 S HN 0.553 nan 8.310 nan 0.000 0.483 420 D N 2.428 122.940 120.400 0.187 0.000 2.218 420 D HA -0.066 4.799 4.640 0.375 0.000 0.204 420 D C 0.683 177.092 176.300 0.183 0.000 0.976 420 D CA 1.441 55.543 54.000 0.170 0.000 0.853 420 D CB -0.008 40.793 40.800 0.002 0.000 0.939 420 D HN 0.674 nan 8.370 nan 0.000 0.481 421 Y N -0.605 119.689 120.300 -0.009 0.000 2.578 421 Y HA 0.046 4.820 4.550 0.374 0.000 0.297 421 Y C 0.616 176.783 175.900 0.444 0.000 1.176 421 Y CA -0.416 57.769 58.100 0.141 0.000 1.315 421 Y CB -0.552 37.919 38.460 0.019 0.000 1.031 421 Y HN -0.147 nan 8.280 nan 0.000 0.524 422 F N 1.571 121.847 119.950 0.542 0.000 2.464 422 F HA 0.254 5.006 4.527 0.375 0.000 0.353 422 F C 0.474 176.478 175.800 0.340 0.000 1.191 422 F CA -0.181 58.131 58.000 0.520 0.000 1.147 422 F CB -0.019 39.376 39.000 0.658 0.000 1.294 422 F HN -0.048 nan 8.300 nan 0.000 0.583 423 M N 8.929 128.457 119.600 -0.120 0.000 3.114 423 M HA 0.216 4.921 4.480 0.375 0.000 0.386 423 M C -1.845 174.316 176.300 -0.232 0.000 1.417 423 M CA -1.184 54.059 55.300 -0.094 0.000 0.785 423 M CB 0.594 33.220 32.600 0.043 0.000 1.413 423 M HN 0.220 nan 8.290 nan 0.000 0.498 424 P HA -0.050 nan 4.420 nan 0.000 0.230 424 P C 0.437 177.443 177.300 -0.490 0.000 1.158 424 P CA 1.070 63.849 63.100 -0.535 0.000 0.769 424 P CB -0.028 31.195 31.700 -0.795 0.000 0.807 425 F N -0.432 119.414 119.950 -0.172 0.000 2.639 425 F HA 0.294 5.046 4.527 0.375 0.000 0.302 425 F C 1.397 177.171 175.800 -0.045 0.000 1.097 425 F CA 0.067 58.018 58.000 -0.082 0.000 1.294 425 F CB -0.177 38.795 39.000 -0.046 0.000 1.027 425 F HN -0.083 nan 8.300 nan 0.000 0.550 426 S N 0.300 116.047 115.700 0.078 0.000 3.740 426 S HA 0.135 4.830 4.470 0.375 0.000 0.637 426 S C -0.501 174.144 174.600 0.075 0.000 2.126 426 S CA -0.161 58.072 58.200 0.055 0.000 2.309 426 S CB -0.992 62.256 63.200 0.079 0.000 0.330 426 S HN 1.153 nan 8.310 nan 0.000 1.786 427 A N 0.267 123.115 122.820 0.046 0.000 2.612 427 A HA 0.932 5.477 4.320 0.375 0.000 0.293 427 A C 0.810 178.417 177.584 0.038 0.000 1.075 427 A CA 0.807 52.871 52.037 0.045 0.000 0.680 427 A CB 0.606 19.616 19.000 0.017 0.000 1.279 427 A HN 3.025 nan 8.150 nan 0.000 0.411 428 G N 0.343 109.176 108.800 0.055 0.000 2.627 428 G HA2 0.015 4.200 3.960 0.375 0.000 0.214 428 G HA3 0.015 4.200 3.960 0.375 0.000 0.214 428 G C 0.256 175.236 174.900 0.133 0.000 1.331 428 G CA 0.341 45.485 45.100 0.074 0.000 0.891 428 G HN 1.093 nan 8.290 nan 0.000 0.539 429 K N -0.107 120.401 120.400 0.180 0.000 2.281 429 K HA 0.027 4.572 4.320 0.375 0.000 0.203 429 K C 2.462 179.286 176.600 0.372 0.000 1.046 429 K CA 1.570 58.030 56.287 0.287 0.000 0.938 429 K CB -0.067 32.660 32.500 0.379 0.000 0.737 429 K HN 0.324 nan 8.250 nan 0.000 0.458 430 R N -0.038 120.618 120.500 0.259 0.000 2.362 430 R HA 0.173 4.738 4.340 0.375 0.000 0.227 430 R C 0.431 176.823 176.300 0.152 0.000 0.905 430 R CA -0.164 56.052 56.100 0.194 0.000 1.067 430 R CB -0.359 29.952 30.300 0.018 0.000 1.078 430 R HN 0.348 nan 8.270 nan 0.000 0.516 431 M N 0.864 120.554 119.600 0.150 0.000 2.240 431 M HA -0.079 4.626 4.480 0.375 0.000 0.346 431 M C 0.400 176.760 176.300 0.100 0.000 1.236 431 M CA 0.488 55.859 55.300 0.120 0.000 0.986 431 M CB 0.408 33.070 32.600 0.104 0.000 1.786 431 M HN 0.063 nan 8.290 nan 0.000 0.457 432 C N 5.064 124.432 119.300 0.113 0.000 2.155 432 C HA -0.070 4.615 4.460 0.375 0.000 0.392 432 C C 1.674 176.672 174.990 0.013 0.000 1.524 432 C CA 0.312 59.385 59.018 0.092 0.000 1.479 432 C CB -0.538 27.337 27.740 0.225 0.000 2.559 432 C HN 0.885 nan 8.230 nan 0.000 0.581 433 V N 5.647 125.570 119.914 0.014 0.000 3.354 433 V HA 0.169 4.514 4.120 0.375 0.000 0.258 433 V C 1.979 178.044 176.094 -0.049 0.000 1.159 433 V CA 1.923 64.219 62.300 -0.007 0.000 1.125 433 V CB 0.181 32.022 31.823 0.030 0.000 0.774 433 V HN 1.090 nan 8.190 nan 0.000 0.464 434 G N -1.205 107.560 108.800 -0.058 0.000 3.502 434 G HA2 0.026 4.211 3.960 0.375 0.000 0.267 434 G HA3 0.026 4.211 3.960 0.375 0.000 0.267 434 G C 1.142 175.943 174.900 -0.165 0.000 1.090 434 G CA 0.091 45.143 45.100 -0.080 0.000 0.795 434 G HN 0.356 nan 8.290 nan 0.000 0.535 435 E N 1.196 121.194 120.200 -0.335 0.000 2.070 435 E HA -0.150 4.424 4.350 0.375 0.000 0.197 435 E C 2.444 178.719 176.600 -0.542 0.000 1.004 435 E CA 1.664 57.566 56.400 -0.829 0.000 0.805 435 E CB -0.394 28.831 29.700 -0.791 0.000 0.744 435 E HN 0.329 nan 8.360 nan 0.000 0.451 436 G N 1.387 110.010 108.800 -0.295 0.000 2.404 436 G HA2 -0.231 3.954 3.960 0.375 0.000 0.215 436 G HA3 -0.231 3.954 3.960 0.375 0.000 0.215 436 G C 1.552 176.366 174.900 -0.143 0.000 1.174 436 G CA 0.771 45.758 45.100 -0.189 0.000 0.780 436 G HN 0.335 nan 8.290 nan 0.000 0.537 437 L N 1.472 122.620 121.223 -0.126 0.000 2.131 437 L HA 0.220 4.785 4.340 0.375 0.000 0.210 437 L C 2.830 179.663 176.870 -0.062 0.000 1.092 437 L CA 1.972 56.755 54.840 -0.095 0.000 0.759 437 L CB -0.813 41.196 42.059 -0.085 0.000 0.903 437 L HN 0.225 nan 8.230 nan 0.000 0.435 438 A N -0.463 122.338 122.820 -0.030 0.000 1.897 438 A HA -0.119 4.425 4.320 0.375 0.000 0.215 438 A C 2.421 180.063 177.584 0.097 0.000 1.181 438 A CA 1.210 53.297 52.037 0.084 0.000 0.620 438 A CB -0.436 18.721 19.000 0.261 0.000 0.821 438 A HN 0.456 nan 8.150 nan 0.000 0.443 439 R N -1.045 119.489 120.500 0.058 0.000 2.096 439 R HA -0.021 4.544 4.340 0.375 0.000 0.235 439 R C 2.162 178.481 176.300 0.030 0.000 1.127 439 R CA 1.574 57.716 56.100 0.070 0.000 0.968 439 R CB -0.343 29.963 30.300 0.010 0.000 0.861 439 R HN 0.534 nan 8.270 nan 0.000 0.440 440 M N 0.044 119.622 119.600 -0.036 0.000 2.175 440 M HA -0.134 4.570 4.480 0.375 0.000 0.264 440 M C 1.822 178.050 176.300 -0.119 0.000 1.063 440 M CA 1.546 56.813 55.300 -0.056 0.000 1.119 440 M CB -0.072 32.465 32.600 -0.104 0.000 1.377 440 M HN 0.145 nan 8.290 nan 0.000 0.415 441 E N 0.452 120.543 120.200 -0.182 0.000 2.072 441 E HA -0.158 4.417 4.350 0.375 0.000 0.191 441 E C 1.990 178.433 176.600 -0.263 0.000 0.985 441 E CA 1.078 57.220 56.400 -0.430 0.000 0.801 441 E CB -0.107 29.466 29.700 -0.211 0.000 0.750 441 E HN 0.503 nan 8.360 nan 0.000 0.452 442 L N -0.144 121.088 121.223 0.015 0.000 2.141 442 L HA -0.120 4.445 4.340 0.375 0.000 0.209 442 L C 2.316 179.247 176.870 0.102 0.000 1.094 442 L CA 0.699 55.610 54.840 0.119 0.000 0.763 442 L CB -0.301 41.844 42.059 0.144 0.000 0.908 442 L HN 0.121 nan 8.230 nan 0.000 0.437 443 F N 0.713 120.642 119.950 -0.036 0.000 2.074 443 F HA -0.152 4.600 4.527 0.374 0.000 0.293 443 F C 2.268 178.059 175.800 -0.014 0.000 1.116 443 F CA 1.396 59.382 58.000 -0.024 0.000 1.212 443 F CB -0.044 38.925 39.000 -0.052 0.000 0.998 443 F HN -0.180 nan 8.300 nan 0.000 0.471 444 L N -0.783 120.439 121.223 -0.002 0.000 2.012 444 L HA -0.251 4.314 4.340 0.375 0.000 0.210 444 L C 2.484 179.361 176.870 0.013 0.000 1.073 444 L CA 1.153 55.955 54.840 -0.063 0.000 0.748 444 L CB -0.938 41.058 42.059 -0.105 0.000 0.891 444 L HN 0.137 nan 8.230 nan 0.000 0.431 445 F N 0.168 120.117 119.950 -0.000 0.000 2.113 445 F HA -0.152 4.600 4.527 0.374 0.000 0.297 445 F C 2.387 178.182 175.800 -0.009 0.000 1.103 445 F CA 0.976 58.982 58.000 0.010 0.000 1.248 445 F CB -1.012 38.010 39.000 0.038 0.000 0.999 445 F HN -0.060 nan 8.300 nan 0.000 0.475 446 L N -0.417 120.902 121.223 0.160 0.000 2.141 446 L HA -0.171 4.393 4.340 0.375 0.000 0.209 446 L C 2.442 179.301 176.870 -0.017 0.000 1.094 446 L CA 1.743 56.628 54.840 0.074 0.000 0.763 446 L CB -1.157 40.936 42.059 0.056 0.000 0.908 446 L HN 0.263 nan 8.230 nan 0.000 0.437 447 T N -4.510 109.941 114.554 -0.172 0.000 2.812 447 T HA -0.090 4.485 4.350 0.375 0.000 0.264 447 T C 2.039 176.703 174.700 -0.060 0.000 1.042 447 T CA 1.176 63.153 62.100 -0.204 0.000 1.140 447 T CB -0.307 68.292 68.868 -0.449 0.000 0.870 447 T HN 0.109 nan 8.240 nan 0.000 0.445 448 S N 1.342 117.038 115.700 -0.006 0.000 2.382 448 S HA 0.088 4.783 4.470 0.375 0.000 0.228 448 S C 1.956 176.616 174.600 0.099 0.000 1.027 448 S CA 0.950 59.182 58.200 0.053 0.000 0.991 448 S CB -0.486 62.781 63.200 0.111 0.000 0.823 448 S HN 0.471 nan 8.310 nan 0.000 0.469 449 I N 1.036 121.696 120.570 0.149 0.000 2.233 449 I HA -0.085 4.310 4.170 0.375 0.000 0.243 449 I C 1.589 177.875 176.117 0.281 0.000 1.093 449 I CA 1.044 62.506 61.300 0.270 0.000 1.380 449 I CB -0.232 37.895 38.000 0.212 0.000 1.067 449 I HN 0.204 nan 8.210 nan 0.000 0.413 450 L N 0.576 121.898 121.223 0.166 0.000 2.622 450 L HA -0.122 4.442 4.340 0.375 0.000 0.233 450 L C 2.338 179.245 176.870 0.062 0.000 1.156 450 L CA 0.554 55.473 54.840 0.131 0.000 0.866 450 L CB -0.413 41.705 42.059 0.097 0.000 0.980 450 L HN 0.421 nan 8.230 nan 0.000 0.448 451 Q N 0.202 120.017 119.800 0.025 0.000 2.226 451 Q HA -0.050 4.515 4.340 0.375 0.000 0.199 451 Q C 1.477 177.413 176.000 -0.106 0.000 0.945 451 Q CA 0.766 56.548 55.803 -0.034 0.000 0.861 451 Q CB 0.393 29.109 28.738 -0.037 0.000 0.953 451 Q HN 0.475 nan 8.270 nan 0.000 0.490 452 N N -0.910 117.671 118.700 -0.197 0.000 2.236 452 N HA 0.139 5.104 4.740 0.375 0.000 0.196 452 N C -0.912 174.097 175.510 -0.834 0.000 1.114 452 N CA 0.275 53.005 53.050 -0.533 0.000 0.859 452 N CB 0.772 38.836 38.487 -0.705 0.000 0.982 452 N HN 0.046 nan 8.380 nan 0.000 0.493 453 F N 0.053 120.017 119.950 0.022 0.000 2.643 453 F HA 0.430 5.182 4.527 0.375 0.000 0.314 453 F C 0.111 175.951 175.800 0.066 0.000 1.096 453 F CA -1.008 57.030 58.000 0.063 0.000 0.953 453 F CB 1.505 40.615 39.000 0.182 0.000 1.345 453 F HN -0.438 nan 8.300 nan 0.000 0.468 454 K N 2.045 122.615 120.400 0.283 0.000 2.324 454 K HA 0.587 5.132 4.320 0.375 0.000 0.253 454 K C -1.517 175.156 176.600 0.121 0.000 0.932 454 K CA -0.476 55.900 56.287 0.149 0.000 0.799 454 K CB 1.688 34.240 32.500 0.086 0.000 1.154 454 K HN 0.689 nan 8.250 nan 0.000 0.425 455 L N 3.556 124.810 121.223 0.052 0.000 2.264 455 L HA 0.377 4.942 4.340 0.375 0.000 0.289 455 L C 0.462 177.284 176.870 -0.080 0.000 1.044 455 L CA -0.445 54.355 54.840 -0.067 0.000 0.807 455 L CB 1.243 43.266 42.059 -0.061 0.000 1.192 455 L HN 0.423 nan 8.230 nan 0.000 0.425 456 Q N 3.080 122.804 119.800 -0.128 0.000 2.333 456 Q HA 0.379 4.944 4.340 0.375 0.000 0.268 456 Q C -0.901 175.038 176.000 -0.101 0.000 1.007 456 Q CA -0.535 55.216 55.803 -0.086 0.000 0.810 456 Q CB 2.035 30.739 28.738 -0.056 0.000 1.264 456 Q HN 0.769 nan 8.270 nan 0.000 0.452 457 S N 2.973 118.631 115.700 -0.070 0.000 2.541 457 S HA 0.287 4.981 4.470 0.375 0.000 0.283 457 S C 0.849 175.425 174.600 -0.040 0.000 1.196 457 S CA -0.698 57.469 58.200 -0.056 0.000 1.062 457 S CB 1.090 64.257 63.200 -0.054 0.000 1.009 457 S HN 0.619 nan 8.310 nan 0.000 0.502 458 L N 2.413 123.616 121.223 -0.032 0.000 2.141 458 L HA 0.106 4.670 4.340 0.375 0.000 0.209 458 L C 0.807 177.664 176.870 -0.021 0.000 1.094 458 L CA 0.875 55.700 54.840 -0.025 0.000 0.763 458 L CB -1.028 41.019 42.059 -0.020 0.000 0.908 458 L HN 0.596 nan 8.230 nan 0.000 0.437 459 V N -1.373 118.528 119.914 -0.023 0.000 2.966 459 V HA 0.246 4.591 4.120 0.375 0.000 0.317 459 V C 0.432 176.506 176.094 -0.033 0.000 1.070 459 V CA -1.271 61.014 62.300 -0.025 0.000 1.008 459 V CB 1.760 33.568 31.823 -0.024 0.000 1.070 459 V HN 0.071 nan 8.190 nan 0.000 0.457 460 E N 3.299 123.480 120.200 -0.032 0.000 2.319 460 E HA 0.216 4.791 4.350 0.375 0.000 0.268 460 E C -1.497 175.072 176.600 -0.051 0.000 1.050 460 E CA -1.647 54.731 56.400 -0.036 0.000 0.878 460 E CB 1.359 31.042 29.700 -0.027 0.000 1.066 460 E HN 0.445 nan 8.360 nan 0.000 0.406 461 P HA -0.226 nan 4.420 nan 0.000 0.217 461 P C 1.033 178.277 177.300 -0.093 0.000 1.151 461 P CA 1.446 64.489 63.100 -0.096 0.000 0.849 461 P CB 0.351 31.990 31.700 -0.101 0.000 0.787 462 K N 0.088 120.451 120.400 -0.061 0.000 2.365 462 K HA -0.075 4.470 4.320 0.375 0.000 0.199 462 K C 0.997 177.575 176.600 -0.038 0.000 1.045 462 K CA 1.072 57.331 56.287 -0.047 0.000 0.962 462 K CB -0.594 31.889 32.500 -0.027 0.000 0.759 462 K HN 0.053 nan 8.250 nan 0.000 0.469 463 D N -0.268 120.108 120.400 -0.039 0.000 2.402 463 D HA 0.025 4.890 4.640 0.375 0.000 0.216 463 D C -0.589 175.690 176.300 -0.035 0.000 1.128 463 D CA -0.185 53.797 54.000 -0.030 0.000 0.833 463 D CB 0.278 41.065 40.800 -0.023 0.000 0.971 463 D HN 0.032 nan 8.370 nan 0.000 0.503 464 L N 1.778 122.968 121.223 -0.055 0.000 2.264 464 L HA 0.256 4.821 4.340 0.375 0.000 0.289 464 L C -0.357 176.478 176.870 -0.058 0.000 1.044 464 L CA -0.525 54.275 54.840 -0.066 0.000 0.807 464 L CB 1.270 43.265 42.059 -0.106 0.000 1.192 464 L HN -0.265 nan 8.230 nan 0.000 0.425 465 D N 4.049 124.426 120.400 -0.039 0.000 2.277 465 D HA 0.231 5.096 4.640 0.375 0.000 0.249 465 D C 0.777 177.065 176.300 -0.021 0.000 1.134 465 D CA 0.025 54.016 54.000 -0.016 0.000 0.863 465 D CB 0.746 41.544 40.800 -0.003 0.000 1.143 465 D HN 0.534 nan 8.370 nan 0.000 0.458 466 I N -0.145 120.443 120.570 0.031 0.000 4.147 466 I HA 0.257 4.652 4.170 0.375 0.000 0.329 466 I C 0.021 176.266 176.117 0.212 0.000 1.424 466 I CA -0.484 60.879 61.300 0.104 0.000 1.127 466 I CB 0.415 38.500 38.000 0.142 0.000 1.128 466 I HN 0.041 nan 8.210 nan 0.000 0.417 467 T N 3.389 118.022 114.554 0.132 0.000 2.853 467 T HA 0.457 5.032 4.350 0.375 0.000 0.298 467 T C 0.577 175.351 174.700 0.123 0.000 0.978 467 T CA 0.020 62.198 62.100 0.130 0.000 1.152 467 T CB 0.936 69.850 68.868 0.077 0.000 0.914 467 T HN 0.440 nan 8.240 nan 0.000 0.539 468 A N 3.198 126.121 122.820 0.171 0.000 2.388 468 A HA 0.517 5.062 4.320 0.375 0.000 0.257 468 A C 0.191 177.821 177.584 0.077 0.000 1.095 468 A CA -0.597 51.538 52.037 0.164 0.000 0.791 468 A CB 0.521 19.673 19.000 0.254 0.000 1.029 468 A HN 0.732 nan 8.150 nan 0.000 0.489 469 V N 4.999 124.945 119.914 0.053 0.000 2.311 469 V HA 0.402 4.747 4.120 0.375 0.000 0.275 469 V C -0.296 175.822 176.094 0.040 0.000 1.022 469 V CA -0.504 61.813 62.300 0.029 0.000 0.830 469 V CB 1.087 32.917 31.823 0.012 0.000 1.012 469 V HN 0.661 nan 8.190 nan 0.000 0.452 470 V N 7.950 127.883 119.914 0.032 0.000 2.364 470 V HA 0.169 4.514 4.120 0.375 0.000 0.252 470 V C 1.333 177.446 176.094 0.033 0.000 1.075 470 V CA 0.226 62.552 62.300 0.043 0.000 1.033 470 V CB -0.978 30.860 31.823 0.026 0.000 1.116 470 V HN 0.948 nan 8.190 nan 0.000 0.488 471 N N 3.341 122.072 118.700 0.051 0.000 2.054 471 N HA -0.034 4.930 4.740 0.375 0.000 0.193 471 N C 1.393 176.924 175.510 0.033 0.000 1.066 471 N CA 1.221 54.291 53.050 0.033 0.000 0.853 471 N CB 0.022 38.536 38.487 0.044 0.000 1.048 471 N HN 0.703 nan 8.380 nan 0.000 0.431 472 G N 0.535 109.392 108.800 0.096 0.000 3.227 472 G HA2 0.162 4.347 3.960 0.375 0.000 0.171 472 G HA3 0.162 4.347 3.960 0.375 0.000 0.171 472 G C 0.355 175.395 174.900 0.232 0.000 1.463 472 G CA -0.180 44.958 45.100 0.063 0.000 1.016 472 G HN 0.331 nan 8.290 nan 0.000 0.594 473 F N -0.029 119.968 119.950 0.079 0.000 2.802 473 F HA 0.415 5.168 4.527 0.377 0.000 0.300 473 F C 0.224 176.063 175.800 0.065 0.000 1.168 473 F CA -1.422 56.635 58.000 0.094 0.000 1.433 473 F CB -1.407 37.663 39.000 0.117 0.000 1.115 473 F HN -0.145 nan 8.300 nan 0.000 0.582 474 V N 0.913 121.075 119.914 0.413 0.000 2.384 474 V HA 0.308 4.653 4.120 0.375 0.000 0.287 474 V C 0.090 176.269 176.094 0.141 0.000 1.020 474 V CA -0.923 61.465 62.300 0.147 0.000 0.850 474 V CB 1.357 33.224 31.823 0.072 0.000 0.987 474 V HN 0.109 nan 8.190 nan 0.000 0.436 475 S N 4.024 119.791 115.700 0.112 0.000 2.465 475 S HA 0.320 5.015 4.470 0.375 0.000 0.280 475 S C -0.062 174.647 174.600 0.182 0.000 1.232 475 S CA -0.244 58.038 58.200 0.138 0.000 1.066 475 S CB 0.992 64.274 63.200 0.137 0.000 0.929 475 S HN 0.832 nan 8.310 nan 0.000 0.494 476 V N 3.833 123.821 119.914 0.123 0.000 2.483 476 V HA 0.736 5.080 4.120 0.375 0.000 0.295 476 V C -2.538 173.509 176.094 -0.077 0.000 1.035 476 V CA -2.637 59.697 62.300 0.056 0.000 0.896 476 V CB 1.648 33.500 31.823 0.049 0.000 0.986 476 V HN 0.583 nan 8.190 nan 0.000 0.447 477 P HA 0.365 nan 4.420 nan 0.000 0.274 477 P C -2.675 174.483 177.300 -0.236 0.000 1.231 477 P CA -1.406 61.288 63.100 -0.678 0.000 0.790 477 P CB 0.413 31.419 31.700 -1.155 0.000 0.951 478 P HA 0.010 nan 4.420 nan 0.000 0.269 478 P C 0.369 177.703 177.300 0.057 0.000 1.215 478 P CA 0.088 63.168 63.100 -0.034 0.000 0.780 478 P CB 0.349 32.035 31.700 -0.024 0.000 0.898 479 S N 1.149 116.880 115.700 0.052 0.000 2.573 479 S HA 0.384 5.079 4.470 0.375 0.000 0.277 479 S C -0.633 174.062 174.600 0.160 0.000 1.346 479 S CA 0.021 58.255 58.200 0.056 0.000 1.034 479 S CB -0.597 62.599 63.200 -0.005 0.000 0.879 479 S HN 0.520 nan 8.310 nan 0.000 0.528 480 Y N -0.055 120.209 120.300 -0.059 0.000 2.687 480 Y HA 0.553 5.327 4.550 0.374 0.000 0.338 480 Y C -1.243 174.622 175.900 -0.057 0.000 1.189 480 Y CA -1.172 56.892 58.100 -0.061 0.000 1.097 480 Y CB 0.510 38.927 38.460 -0.072 0.000 1.342 480 Y HN 0.510 nan 8.280 nan 0.000 0.461 481 Q N 3.044 122.837 119.800 -0.011 0.000 2.416 481 Q HA 0.879 5.444 4.340 0.375 0.000 0.279 481 Q C -1.234 174.758 176.000 -0.012 0.000 1.101 481 Q CA -1.269 54.473 55.803 -0.102 0.000 0.830 481 Q CB 3.519 32.213 28.738 -0.073 0.000 1.402 481 Q HN 0.826 nan 8.270 nan 0.000 0.445 482 L N -2.980 118.176 121.223 -0.112 0.000 2.892 482 L HA 0.779 5.344 4.340 0.375 0.000 0.269 482 L C -1.735 174.968 176.870 -0.279 0.000 1.058 482 L CA -1.008 53.724 54.840 -0.180 0.000 0.923 482 L CB 1.645 43.563 42.059 -0.234 0.000 1.518 482 L HN 0.692 nan 8.230 nan 0.000 0.402 483 C N 0.341 119.455 119.300 -0.311 0.000 2.455 483 C HA 0.659 5.344 4.460 0.375 0.000 0.320 483 C C -0.484 174.284 174.990 -0.371 0.000 1.226 483 C CA -0.316 58.559 59.018 -0.240 0.000 1.569 483 C CB 0.875 28.560 27.740 -0.092 0.000 2.200 483 C HN 0.560 nan 8.230 nan 0.000 0.491 484 F N 3.691 123.578 119.950 -0.104 0.000 2.334 484 F HA 0.363 5.114 4.527 0.374 0.000 0.365 484 F C 0.489 176.304 175.800 0.025 0.000 1.124 484 F CA -0.471 57.423 58.000 -0.176 0.000 1.166 484 F CB 0.295 38.922 39.000 -0.621 0.000 1.355 484 F HN 0.327 nan 8.300 nan 0.000 0.532 485 I N 5.551 126.253 120.570 0.221 0.000 2.347 485 I HA 0.174 4.569 4.170 0.375 0.000 0.294 485 I C -2.221 174.070 176.117 0.289 0.000 1.090 485 I CA -3.237 58.190 61.300 0.211 0.000 1.314 485 I CB -0.158 37.903 38.000 0.102 0.000 1.423 485 I HN 0.201 nan 8.210 nan 0.000 0.503 486 P HA 0.113 nan 4.420 nan 0.000 0.264 486 P C -0.313 176.816 177.300 -0.285 0.000 1.183 486 P CA 0.265 63.335 63.100 -0.050 0.000 0.763 486 P CB 0.362 32.003 31.700 -0.098 0.000 0.807 487 I N 1.542 121.867 120.570 -0.408 0.000 2.418 487 I HA 0.638 5.032 4.170 0.375 0.000 0.287 487 I C -0.108 175.830 176.117 -0.299 0.000 1.008 487 I CA -0.610 60.514 61.300 -0.293 0.000 1.104 487 I CB 1.608 39.544 38.000 -0.107 0.000 1.264 487 I HN 0.494 nan 8.210 nan 0.000 0.438 488 H N 0.000 119.054 119.070 -0.027 0.000 2.539 488 H HA 0.000 4.781 4.556 0.375 0.000 0.296 488 H CA 0.000 56.035 56.048 -0.022 0.000 1.023 488 H CB 0.000 29.749 29.762 -0.022 0.000 1.292 488 H HN 0.000 nan 8.280 nan 0.000 0.496