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 1nq9_1_L DATA FIRST_RESID 5 DATA SEQUENCE VDIcTAKPRD IPMNPMcIYR SPXXXXXXXX XSEQKIPEAT NRRVWELSKA DATA SEQUENCE NSRFATTFYQ HLADSKNDND NIFLSPLSIS TAFAMTKLGA cNDTLQQLME DATA SEQUENCE VFKFDTISEK TSDQIHFFFA KLNcRLYRKX XKSSKLVSAN RLFGDKSLTF DATA SEQUENCE NETYQDISEL VYGAKLQPLD FKENAEQSRA AINKWVSNKT EGRITDVIPS DATA SEQUENCE EAINELTVLV LVNTIYFKGL WKSKFSPENT RKELFYKADG EScSASMMYQ DATA SEQUENCE EGKFRYRRVA EGTQVLELPF KGDDITMVLI LPKPEKSLAK VEKELTPEVL DATA SEQUENCE QEWLDELEEM MLVVHMPRFR IEDGFSLKEQ LQDMGLVDLF SPEKSKLPGI DATA SEQUENCE VAEGRDDLYV SDAFHKAFLE VNEEGSEAAA STAVVIAGRS LNPNXXTFKA DATA SEQUENCE NRPFLVFIRE VPLNTIIFMG RVANPc 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 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.079 176.094 -0.025 0.000 1.182 5 V CA 0.000 62.288 62.300 -0.021 0.000 1.235 5 V CB 0.000 31.814 31.823 -0.014 0.000 1.184 6 D N 1.108 121.498 120.400 -0.018 0.000 2.435 6 D HA 0.330 5.113 4.640 0.238 0.000 0.230 6 D C 0.960 177.245 176.300 -0.025 0.000 1.215 6 D CA 0.334 54.320 54.000 -0.022 0.000 0.947 6 D CB 0.439 41.231 40.800 -0.012 0.000 1.048 6 D HN 0.649 nan 8.370 nan 0.000 0.512 7 I N 2.556 123.094 120.570 -0.052 0.000 2.800 7 I HA -0.255 4.057 4.170 0.238 0.000 0.266 7 I C 1.207 177.253 176.117 -0.118 0.000 1.249 7 I CA 0.639 61.890 61.300 -0.082 0.000 1.458 7 I CB 0.147 38.050 38.000 -0.162 0.000 1.093 7 I HN 0.459 nan 8.210 nan 0.000 0.466 8 c N 0.436 118.989 118.600 -0.079 0.000 2.472 8 c HA -0.004 4.709 4.570 0.238 0.000 0.278 8 c C 2.379 176.456 174.090 -0.022 0.000 1.447 8 c CA 1.244 57.534 56.329 -0.066 0.000 1.773 8 c CB -1.535 40.955 42.510 -0.033 0.000 1.793 8 c HN 0.726 nan 8.230 nan 0.000 0.544 9 T N -2.957 111.598 114.554 0.001 0.000 2.975 9 T HA 0.435 4.928 4.350 0.238 0.000 0.261 9 T C 0.668 175.406 174.700 0.063 0.000 0.984 9 T CA 0.607 62.725 62.100 0.031 0.000 0.911 9 T CB 0.021 68.902 68.868 0.022 0.000 1.127 9 T HN 0.316 nan 8.240 nan 0.000 0.514 10 A N 1.452 124.323 122.820 0.085 0.000 2.310 10 A HA 0.706 5.169 4.320 0.238 0.000 0.260 10 A C 0.015 177.737 177.584 0.230 0.000 1.112 10 A CA -0.337 51.781 52.037 0.134 0.000 0.804 10 A CB 0.323 19.413 19.000 0.151 0.000 1.081 10 A HN 0.314 nan 8.150 nan 0.000 0.499 11 K N -0.247 120.214 120.400 0.102 0.000 2.267 11 K HA 0.522 4.985 4.320 0.238 0.000 0.246 11 K C -2.280 174.072 176.600 -0.413 0.000 0.954 11 K CA -2.177 54.083 56.287 -0.045 0.000 0.824 11 K CB 1.522 33.993 32.500 -0.047 0.000 1.167 11 K HN 0.181 nan 8.250 nan 0.000 0.431 12 P HA -0.232 nan 4.420 nan 0.000 0.221 12 P C 0.637 177.651 177.300 -0.478 0.000 1.141 12 P CA 1.385 63.758 63.100 -1.211 0.000 0.794 12 P CB 0.335 31.462 31.700 -0.955 0.000 0.764 13 R N -0.380 119.952 120.500 -0.281 0.000 2.276 13 R HA 0.008 4.490 4.340 0.238 0.000 0.196 13 R C 1.497 177.741 176.300 -0.094 0.000 0.961 13 R CA 1.191 57.204 56.100 -0.145 0.000 1.024 13 R CB -1.561 28.682 30.300 -0.095 0.000 0.940 13 R HN 0.206 nan 8.270 nan 0.000 0.480 14 D N 0.301 120.649 120.400 -0.085 0.000 2.289 14 D HA 0.053 4.836 4.640 0.238 0.000 0.207 14 D C 0.710 176.999 176.300 -0.018 0.000 0.966 14 D CA 0.964 54.944 54.000 -0.033 0.000 0.868 14 D CB 0.239 41.037 40.800 -0.004 0.000 0.943 14 D HN 0.694 nan 8.370 nan 0.000 0.514 15 I N -0.311 120.246 120.570 -0.023 0.000 2.563 15 I HA 0.342 4.655 4.170 0.238 0.000 0.276 15 I C -2.821 173.288 176.117 -0.013 0.000 1.074 15 I CA -2.086 59.214 61.300 0.000 0.000 1.124 15 I CB 1.913 39.940 38.000 0.045 0.000 1.225 15 I HN -0.351 nan 8.210 nan 0.000 0.482 16 P HA 0.276 nan 4.420 nan 0.000 0.287 16 P C 0.312 177.613 177.300 0.002 0.000 1.307 16 P CA -0.465 62.627 63.100 -0.013 0.000 0.777 16 P CB 1.567 33.260 31.700 -0.013 0.000 0.883 17 M N 1.240 120.849 119.600 0.015 0.000 2.653 17 M HA 0.055 4.677 4.480 0.238 0.000 0.259 17 M C 0.047 176.369 176.300 0.036 0.000 1.244 17 M CA 0.129 55.443 55.300 0.022 0.000 1.163 17 M CB -0.851 31.767 32.600 0.029 0.000 1.309 17 M HN 0.207 nan 8.290 nan 0.000 0.509 18 N N 2.854 121.581 118.700 0.046 0.000 2.558 18 N HA -0.092 4.790 4.740 0.238 0.000 0.302 18 N C -2.498 173.050 175.510 0.064 0.000 1.322 18 N CA 0.464 53.546 53.050 0.053 0.000 0.687 18 N CB -1.556 36.953 38.487 0.037 0.000 0.992 18 N HN 0.388 nan 8.380 nan 0.000 0.524 19 P HA 0.003 nan 4.420 nan 0.000 0.273 19 P C 1.074 178.421 177.300 0.077 0.000 1.250 19 P CA -0.555 62.601 63.100 0.095 0.000 0.793 19 P CB 0.802 32.584 31.700 0.137 0.000 1.011 20 M N -0.111 119.531 119.600 0.070 0.000 2.229 20 M HA -0.027 4.596 4.480 0.238 0.000 0.264 20 M C -0.316 176.019 176.300 0.058 0.000 1.063 20 M CA 1.597 56.930 55.300 0.054 0.000 1.114 20 M CB 0.026 32.649 32.600 0.039 0.000 1.387 20 M HN 0.248 nan 8.290 nan 0.000 0.420 21 c N 0.423 119.068 118.600 0.076 0.000 2.698 21 c HA 0.598 5.310 4.570 0.238 0.000 0.309 21 c C -0.342 173.818 174.090 0.117 0.000 1.186 21 c CA -1.419 54.960 56.329 0.084 0.000 1.474 21 c CB 1.311 43.868 42.510 0.079 0.000 2.020 21 c HN 0.289 nan 8.230 nan 0.000 0.474 22 I N 2.503 123.144 120.570 0.120 0.000 2.441 22 I HA 0.359 4.672 4.170 0.238 0.000 0.295 22 I C -0.336 175.899 176.117 0.197 0.000 0.994 22 I CA -0.611 60.787 61.300 0.164 0.000 1.144 22 I CB 1.200 39.274 38.000 0.124 0.000 1.314 22 I HN 0.735 nan 8.210 nan 0.000 0.445 23 Y N 4.443 124.784 120.300 0.068 0.000 2.314 23 Y HA 0.614 5.307 4.550 0.238 0.000 0.334 23 Y C 0.257 176.190 175.900 0.056 0.000 1.266 23 Y CA -1.144 56.996 58.100 0.067 0.000 1.391 23 Y CB 0.397 38.907 38.460 0.084 0.000 1.306 23 Y HN 0.627 nan 8.280 nan 0.000 0.558 24 R N 2.835 123.094 120.500 -0.402 0.000 2.220 24 R HA 0.451 4.933 4.340 0.238 0.000 0.340 24 R C 0.092 175.907 176.300 -0.808 0.000 1.076 24 R CA -0.062 55.758 56.100 -0.466 0.000 0.920 24 R CB -1.172 29.018 30.300 -0.183 0.000 1.062 24 R HN 0.860 nan 8.270 nan 0.000 0.469 25 S N 3.886 119.114 115.700 -0.786 0.000 2.559 25 S HA 0.184 4.796 4.470 0.238 0.000 0.282 25 S C -1.207 173.268 174.600 -0.208 0.000 1.336 25 S CA -0.344 57.549 58.200 -0.512 0.000 1.037 25 S CB 0.443 63.520 63.200 -0.204 0.000 0.853 25 S HN 0.843 nan 8.310 nan 0.000 0.523 37 E N 0.790 121.156 120.200 0.276 0.000 3.646 37 E HA 0.175 4.667 4.350 0.238 0.000 0.211 37 E C 0.917 177.587 176.600 0.116 0.000 1.034 37 E CA -0.033 56.497 56.400 0.216 0.000 1.341 37 E CB -0.424 29.454 29.700 0.297 0.000 1.202 37 E HN 0.587 nan 8.360 nan 0.000 0.447 38 Q N -0.189 119.640 119.800 0.048 0.000 2.346 38 Q HA -0.318 4.164 4.340 0.238 0.000 0.224 38 Q C 0.959 176.832 176.000 -0.213 0.000 1.092 38 Q CA 2.217 57.977 55.803 -0.071 0.000 0.982 38 Q CB -0.918 27.800 28.738 -0.034 0.000 1.085 38 Q HN 0.197 nan 8.270 nan 0.000 0.492 39 K N 2.450 122.748 120.400 -0.170 0.000 2.166 39 K HA 0.162 4.624 4.320 0.238 0.000 0.273 39 K C 0.155 176.547 176.600 -0.347 0.000 1.095 39 K CA 0.014 56.179 56.287 -0.204 0.000 0.985 39 K CB -0.531 31.901 32.500 -0.114 0.000 1.172 39 K HN 0.317 nan 8.250 nan 0.000 0.401 40 I N 0.978 121.225 120.570 -0.538 0.000 2.713 40 I HA 0.544 4.857 4.170 0.238 0.000 0.300 40 I C -1.779 174.085 176.117 -0.422 0.000 1.009 40 I CA -2.356 58.452 61.300 -0.820 0.000 1.305 40 I CB 0.756 38.018 38.000 -1.230 0.000 1.430 40 I HN 0.411 nan 8.210 nan 0.000 0.546 41 P HA 0.116 nan 4.420 nan 0.000 0.268 41 P C -0.139 177.086 177.300 -0.124 0.000 1.208 41 P CA 0.154 63.171 63.100 -0.139 0.000 0.777 41 P CB 0.207 31.881 31.700 -0.044 0.000 0.875 42 E N 1.244 121.400 120.200 -0.073 0.000 2.425 42 E HA 0.365 4.858 4.350 0.238 0.000 0.258 42 E C 1.180 177.761 176.600 -0.032 0.000 1.151 42 E CA 0.145 56.512 56.400 -0.054 0.000 0.958 42 E CB -0.559 29.121 29.700 -0.033 0.000 0.968 42 E HN 0.767 nan 8.360 nan 0.000 0.451 43 A N 0.494 123.301 122.820 -0.022 0.000 2.816 43 A HA -0.125 4.338 4.320 0.238 0.000 0.270 43 A C 0.789 178.377 177.584 0.007 0.000 1.413 43 A CA 1.519 53.555 52.037 -0.001 0.000 0.866 43 A CB -2.295 16.710 19.000 0.009 0.000 1.032 43 A HN 1.220 nan 8.150 nan 0.000 0.642 44 T N 0.998 115.544 114.554 -0.013 0.000 2.807 44 T HA 0.449 4.941 4.350 0.238 0.000 0.279 44 T C -0.030 174.675 174.700 0.009 0.000 0.993 44 T CA -0.478 61.626 62.100 0.007 0.000 0.970 44 T CB 1.195 70.053 68.868 -0.016 0.000 0.950 44 T HN 0.484 nan 8.240 nan 0.000 0.441 45 N N 1.707 120.446 118.700 0.064 0.000 2.475 45 N HA 0.101 4.984 4.740 0.238 0.000 0.267 45 N C 1.525 177.080 175.510 0.076 0.000 1.169 45 N CA -0.047 53.051 53.050 0.080 0.000 0.947 45 N CB 0.984 39.561 38.487 0.149 0.000 1.061 45 N HN 0.741 nan 8.380 nan 0.000 0.466 46 R N 4.776 125.292 120.500 0.027 0.000 2.083 46 R HA -0.136 4.347 4.340 0.238 0.000 0.237 46 R C 2.208 178.542 176.300 0.057 0.000 1.137 46 R CA 1.993 58.116 56.100 0.039 0.000 0.951 46 R CB -1.089 29.204 30.300 -0.011 0.000 0.851 46 R HN 0.770 nan 8.270 nan 0.000 0.434 47 R N -0.053 120.388 120.500 -0.098 0.000 2.096 47 R HA -0.047 4.435 4.340 0.238 0.000 0.235 47 R C 2.405 178.588 176.300 -0.196 0.000 1.127 47 R CA 1.401 57.301 56.100 -0.333 0.000 0.968 47 R CB -0.631 29.093 30.300 -0.959 0.000 0.861 47 R HN 0.321 nan 8.270 nan 0.000 0.440 48 V N -0.278 119.644 119.914 0.013 0.000 2.427 48 V HA -0.224 4.038 4.120 0.238 0.000 0.248 48 V C 1.825 177.985 176.094 0.110 0.000 1.051 48 V CA 1.489 63.861 62.300 0.120 0.000 1.048 48 V CB -0.469 31.462 31.823 0.181 0.000 0.666 48 V HN 0.449 nan 8.190 nan 0.000 0.456 49 W N 0.973 122.247 121.300 -0.044 0.000 2.388 49 W HA -0.119 4.686 4.660 0.240 0.000 0.294 49 W C 2.400 178.889 176.519 -0.051 0.000 1.212 49 W CA 1.810 59.131 57.345 -0.039 0.000 1.271 49 W CB -0.079 29.361 29.460 -0.032 0.000 1.126 49 W HN 0.260 nan 8.180 nan 0.000 0.535 50 E N -0.211 120.043 120.200 0.090 0.000 2.023 50 E HA -0.295 4.198 4.350 0.238 0.000 0.196 50 E C 2.097 178.628 176.600 -0.116 0.000 1.003 50 E CA 1.762 58.140 56.400 -0.036 0.000 0.809 50 E CB -0.726 28.954 29.700 -0.033 0.000 0.755 50 E HN 0.175 nan 8.360 nan 0.000 0.449 51 L N 0.789 121.950 121.223 -0.103 0.000 2.042 51 L HA -0.222 4.260 4.340 0.238 0.000 0.210 51 L C 2.444 179.217 176.870 -0.162 0.000 1.076 51 L CA 1.858 56.626 54.840 -0.121 0.000 0.749 51 L CB -0.711 41.252 42.059 -0.160 0.000 0.893 51 L HN 0.009 nan 8.230 nan 0.000 0.432 52 S N -0.907 114.679 115.700 -0.191 0.000 2.365 52 S HA -0.299 4.314 4.470 0.238 0.000 0.225 52 S C 2.132 176.589 174.600 -0.238 0.000 1.039 52 S CA 1.980 60.051 58.200 -0.216 0.000 1.033 52 S CB -0.209 62.841 63.200 -0.249 0.000 0.887 52 S HN 0.502 nan 8.310 nan 0.000 0.447 53 K N 0.548 120.745 120.400 -0.338 0.000 2.057 53 K HA 0.035 4.498 4.320 0.238 0.000 0.207 53 K C 2.367 178.878 176.600 -0.148 0.000 1.049 53 K CA 1.133 57.232 56.287 -0.312 0.000 0.931 53 K CB -0.401 31.851 32.500 -0.413 0.000 0.714 53 K HN 0.426 nan 8.250 nan 0.000 0.440 54 A N 1.751 124.515 122.820 -0.093 0.000 1.902 54 A HA -0.207 4.256 4.320 0.238 0.000 0.217 54 A C 1.745 179.341 177.584 0.021 0.000 1.181 54 A CA 1.761 53.794 52.037 -0.008 0.000 0.623 54 A CB -0.515 18.533 19.000 0.079 0.000 0.818 54 A HN 0.251 nan 8.150 nan 0.000 0.443 55 N N 0.201 118.907 118.700 0.010 0.000 2.188 55 N HA -0.082 4.800 4.740 0.238 0.000 0.184 55 N C 1.923 177.501 175.510 0.113 0.000 1.018 55 N CA 1.497 54.592 53.050 0.074 0.000 0.858 55 N CB -0.498 38.001 38.487 0.020 0.000 0.989 55 N HN 0.416 nan 8.380 nan 0.000 0.426 56 S N 0.832 116.546 115.700 0.024 0.000 2.382 56 S HA -0.007 4.606 4.470 0.238 0.000 0.228 56 S C 1.890 176.513 174.600 0.038 0.000 1.027 56 S CA 0.744 58.957 58.200 0.022 0.000 0.991 56 S CB 0.072 63.238 63.200 -0.056 0.000 0.823 56 S HN 0.343 nan 8.310 nan 0.000 0.469 57 R N -0.272 120.242 120.500 0.022 0.000 2.096 57 R HA -0.055 4.427 4.340 0.238 0.000 0.235 57 R C 2.075 178.405 176.300 0.050 0.000 1.127 57 R CA 1.394 57.505 56.100 0.018 0.000 0.968 57 R CB -0.460 29.841 30.300 0.002 0.000 0.861 57 R HN 0.450 nan 8.270 nan 0.000 0.440 58 F N 1.640 121.568 119.950 -0.037 0.000 2.113 58 F HA -0.137 4.537 4.527 0.245 0.000 0.297 58 F C 2.262 178.096 175.800 0.057 0.000 1.103 58 F CA 1.127 59.101 58.000 -0.043 0.000 1.248 58 F CB -0.454 38.502 39.000 -0.073 0.000 0.999 58 F HN -0.021 nan 8.300 nan 0.000 0.475 59 A N 0.430 123.304 122.820 0.091 0.000 1.852 59 A HA -0.332 4.131 4.320 0.238 0.000 0.217 59 A C 2.338 179.959 177.584 0.060 0.000 1.215 59 A CA 3.498 55.581 52.037 0.078 0.000 0.641 59 A CB -1.800 17.293 19.000 0.154 0.000 0.838 59 A HN 0.563 nan 8.150 nan 0.000 0.450 60 T N -3.197 111.408 114.554 0.084 0.000 2.720 60 T HA -0.166 4.327 4.350 0.238 0.000 0.268 60 T C 1.791 176.533 174.700 0.069 0.000 1.037 60 T CA 2.282 64.455 62.100 0.121 0.000 1.144 60 T CB -1.241 67.681 68.868 0.089 0.000 0.864 60 T HN 0.376 nan 8.240 nan 0.000 0.444 61 T N 1.217 115.757 114.554 -0.023 0.000 2.746 61 T HA 0.023 4.516 4.350 0.238 0.000 0.267 61 T C 1.350 176.021 174.700 -0.048 0.000 1.039 61 T CA 1.360 63.439 62.100 -0.035 0.000 1.142 61 T CB -0.626 68.203 68.868 -0.064 0.000 0.866 61 T HN 0.428 nan 8.240 nan 0.000 0.444 62 F N 0.690 120.400 119.950 -0.400 0.000 2.146 62 F HA -0.067 4.600 4.527 0.234 0.000 0.298 62 F C 2.130 177.813 175.800 -0.195 0.000 1.096 62 F CA 0.774 58.507 58.000 -0.444 0.000 1.275 62 F CB -0.464 37.994 39.000 -0.903 0.000 1.008 62 F HN 0.164 nan 8.300 nan 0.000 0.480 63 Y N 1.283 121.513 120.300 -0.117 0.000 2.207 63 Y HA -0.271 4.433 4.550 0.256 0.000 0.287 63 Y C 2.355 178.140 175.900 -0.192 0.000 1.156 63 Y CA 2.152 60.175 58.100 -0.128 0.000 1.182 63 Y CB -0.628 37.812 38.460 -0.033 0.000 0.979 63 Y HN 0.238 nan 8.280 nan 0.000 0.521 64 Q N -1.322 118.332 119.800 -0.243 0.000 2.079 64 Q HA -0.204 4.278 4.340 0.238 0.000 0.200 64 Q C 2.092 177.839 176.000 -0.421 0.000 0.974 64 Q CA 1.440 57.060 55.803 -0.306 0.000 0.840 64 Q CB -0.361 28.271 28.738 -0.176 0.000 0.898 64 Q HN 0.613 nan 8.270 nan 0.000 0.430 65 H N -0.093 118.720 119.070 -0.428 0.000 2.456 65 H HA -0.103 4.596 4.556 0.238 0.000 0.296 65 H C 2.008 177.014 175.328 -0.536 0.000 1.079 65 H CA 1.034 56.818 56.048 -0.441 0.000 1.322 65 H CB 0.256 29.735 29.762 -0.472 0.000 1.388 65 H HN 0.147 nan 8.280 nan 0.000 0.538 66 L N 0.341 121.200 121.223 -0.606 0.000 2.127 66 L HA 0.057 4.540 4.340 0.238 0.000 0.203 66 L C 2.578 179.124 176.870 -0.540 0.000 1.080 66 L CA 1.437 55.890 54.840 -0.645 0.000 0.768 66 L CB -0.561 41.035 42.059 -0.772 0.000 0.924 66 L HN 0.101 nan 8.230 nan 0.000 0.444 67 A N -1.204 121.225 122.820 -0.652 0.000 1.929 67 A HA -0.220 4.243 4.320 0.238 0.000 0.216 67 A C 1.805 179.194 177.584 -0.326 0.000 1.176 67 A CA 1.509 53.234 52.037 -0.521 0.000 0.628 67 A CB -0.824 17.780 19.000 -0.659 0.000 0.816 67 A HN 0.468 nan 8.150 nan 0.000 0.444 68 D N -0.248 119.956 120.400 -0.325 0.000 2.370 68 D HA 0.017 4.799 4.640 0.238 0.000 0.256 68 D C 0.838 177.016 176.300 -0.204 0.000 1.197 68 D CA 0.937 54.792 54.000 -0.242 0.000 0.922 68 D CB -0.127 40.506 40.800 -0.278 0.000 0.911 68 D HN 0.400 nan 8.370 nan 0.000 0.517 69 S N -1.923 113.651 115.700 -0.209 0.000 3.088 69 S HA 0.230 4.843 4.470 0.238 0.000 0.249 69 S C 0.048 174.558 174.600 -0.150 0.000 0.877 69 S CA -0.836 57.265 58.200 -0.166 0.000 1.184 69 S CB 0.170 63.266 63.200 -0.174 0.000 1.170 69 S HN -0.024 nan 8.310 nan 0.000 0.603 70 K N 1.127 121.438 120.400 -0.148 0.000 2.466 70 K HA 0.419 4.882 4.320 0.238 0.000 0.260 70 K C -1.231 175.320 176.600 -0.082 0.000 1.011 70 K CA -0.924 55.295 56.287 -0.114 0.000 0.871 70 K CB 1.026 33.444 32.500 -0.137 0.000 1.404 70 K HN 0.140 nan 8.250 nan 0.000 0.450 71 N N 1.580 120.248 118.700 -0.052 0.000 2.497 71 N HA -0.035 4.847 4.740 0.238 0.000 0.268 71 N C -0.233 175.259 175.510 -0.029 0.000 1.171 71 N CA 0.391 53.422 53.050 -0.033 0.000 0.948 71 N CB 0.906 39.385 38.487 -0.014 0.000 1.069 71 N HN 0.445 nan 8.380 nan 0.000 0.460 72 D N 1.870 122.256 120.400 -0.023 0.000 2.362 72 D HA -0.142 4.641 4.640 0.238 0.000 0.215 72 D C 0.277 176.583 176.300 0.010 0.000 0.978 72 D CA 1.126 55.120 54.000 -0.010 0.000 0.921 72 D CB 0.112 40.911 40.800 -0.003 0.000 0.895 72 D HN 0.503 nan 8.370 nan 0.000 0.494 73 N N 0.406 119.114 118.700 0.014 0.000 2.214 73 N HA 0.016 4.899 4.740 0.238 0.000 0.214 73 N C -0.284 175.242 175.510 0.028 0.000 1.132 73 N CA -0.006 53.065 53.050 0.035 0.000 0.856 73 N CB 0.690 39.206 38.487 0.049 0.000 1.020 73 N HN 0.152 nan 8.380 nan 0.000 0.509 74 D N 0.586 120.990 120.400 0.007 0.000 2.312 74 D HA 0.175 4.958 4.640 0.238 0.000 0.248 74 D C 0.179 176.481 176.300 0.003 0.000 1.086 74 D CA -0.061 53.941 54.000 0.004 0.000 0.948 74 D CB 0.991 41.784 40.800 -0.013 0.000 1.162 74 D HN -0.071 nan 8.370 nan 0.000 0.446 75 N N 0.350 119.057 118.700 0.012 0.000 2.483 75 N HA 0.437 5.319 4.740 0.238 0.000 0.269 75 N C -0.376 175.175 175.510 0.069 0.000 1.209 75 N CA -0.018 53.045 53.050 0.021 0.000 0.969 75 N CB 1.052 39.555 38.487 0.027 0.000 1.173 75 N HN 0.306 nan 8.380 nan 0.000 0.475 76 I N 1.125 121.772 120.570 0.127 0.000 2.610 76 I HA 0.350 4.663 4.170 0.238 0.000 0.289 76 I C -1.487 174.850 176.117 0.367 0.000 1.163 76 I CA -0.598 60.826 61.300 0.206 0.000 1.044 76 I CB 1.694 39.804 38.000 0.184 0.000 1.251 76 I HN 0.284 nan 8.210 nan 0.000 0.424 77 F N 7.779 127.877 119.950 0.248 0.000 2.628 77 F HA 0.817 5.482 4.527 0.231 0.000 0.309 77 F C -1.597 174.480 175.800 0.461 0.000 1.108 77 F CA -0.565 57.602 58.000 0.279 0.000 0.971 77 F CB 1.774 40.892 39.000 0.198 0.000 1.279 77 F HN 0.360 nan 8.300 nan 0.000 0.441 78 L N 1.398 122.564 121.223 -0.094 0.000 3.041 78 L HA 0.763 5.245 4.340 0.238 0.000 0.278 78 L C -1.662 175.257 176.870 0.082 0.000 1.051 78 L CA -0.876 54.133 54.840 0.282 0.000 0.957 78 L CB 1.691 43.981 42.059 0.384 0.000 1.538 78 L HN 0.498 nan 8.230 nan 0.000 0.393 79 S N 0.545 116.404 115.700 0.266 0.000 2.653 79 S HA 0.576 5.189 4.470 0.238 0.000 0.272 79 S C -1.983 172.631 174.600 0.023 0.000 1.221 79 S CA -1.109 57.085 58.200 -0.010 0.000 1.149 79 S CB 1.142 64.270 63.200 -0.121 0.000 1.029 79 S HN 0.637 nan 8.310 nan 0.000 0.481 80 P HA -0.106 nan 4.420 nan 0.000 0.218 80 P C 1.650 179.041 177.300 0.152 0.000 1.149 80 P CA 0.443 63.619 63.100 0.127 0.000 0.817 80 P CB 0.094 31.909 31.700 0.191 0.000 0.785 81 L N 0.600 121.877 121.223 0.089 0.000 2.042 81 L HA -0.147 4.335 4.340 0.238 0.000 0.210 81 L C 2.728 179.700 176.870 0.169 0.000 1.076 81 L CA 2.195 57.121 54.840 0.143 0.000 0.749 81 L CB -1.739 40.365 42.059 0.075 0.000 0.893 81 L HN -0.029 nan 8.230 nan 0.000 0.432 82 S N -0.518 115.253 115.700 0.118 0.000 2.353 82 S HA -0.219 4.393 4.470 0.238 0.000 0.222 82 S C 2.082 176.772 174.600 0.151 0.000 1.035 82 S CA 1.885 60.178 58.200 0.155 0.000 1.025 82 S CB -0.504 62.847 63.200 0.252 0.000 0.902 82 S HN 0.493 nan 8.310 nan 0.000 0.440 83 I N 1.342 122.001 120.570 0.149 0.000 2.163 83 I HA -0.183 4.130 4.170 0.238 0.000 0.243 83 I C 2.685 178.842 176.117 0.066 0.000 1.085 83 I CA 1.508 62.895 61.300 0.144 0.000 1.347 83 I CB -0.751 37.267 38.000 0.029 0.000 1.044 83 I HN 0.310 nan 8.210 nan 0.000 0.408 84 S N 0.309 116.009 115.700 -0.001 0.000 2.370 84 S HA -0.189 4.424 4.470 0.238 0.000 0.226 84 S C 2.053 176.664 174.600 0.019 0.000 1.033 84 S CA 2.050 60.191 58.200 -0.099 0.000 1.011 84 S CB -0.536 62.798 63.200 0.224 0.000 0.852 84 S HN 0.493 nan 8.310 nan 0.000 0.457 85 T N 2.415 116.974 114.554 0.009 0.000 2.708 85 T HA -0.048 4.445 4.350 0.238 0.000 0.266 85 T C 2.191 176.641 174.700 -0.417 0.000 1.037 85 T CA 1.290 63.160 62.100 -0.383 0.000 1.146 85 T CB -0.562 68.147 68.868 -0.264 0.000 0.865 85 T HN 0.486 nan 8.240 nan 0.000 0.435 86 A N 0.690 123.373 122.820 -0.228 0.000 1.933 86 A HA 0.015 4.478 4.320 0.238 0.000 0.218 86 A C 1.954 179.258 177.584 -0.467 0.000 1.175 86 A CA 1.304 53.158 52.037 -0.304 0.000 0.628 86 A CB -0.908 17.988 19.000 -0.174 0.000 0.814 86 A HN 0.471 nan 8.150 nan 0.000 0.444 87 F N -0.120 119.591 119.950 -0.398 0.000 2.293 87 F HA 0.085 4.756 4.527 0.240 0.000 0.297 87 F C 2.690 178.273 175.800 -0.361 0.000 1.089 87 F CA 0.621 58.347 58.000 -0.457 0.000 1.377 87 F CB -0.355 38.126 39.000 -0.865 0.000 1.051 87 F HN 0.248 nan 8.300 nan 0.000 0.511 88 A N -0.088 122.615 122.820 -0.194 0.000 1.933 88 A HA -0.220 4.243 4.320 0.238 0.000 0.218 88 A C 2.220 179.713 177.584 -0.152 0.000 1.175 88 A CA 1.705 53.734 52.037 -0.014 0.000 0.628 88 A CB -0.722 18.290 19.000 0.019 0.000 0.814 88 A HN 0.343 nan 8.150 nan 0.000 0.444 89 M N -0.873 118.405 119.600 -0.537 0.000 2.117 89 M HA -0.126 4.497 4.480 0.238 0.000 0.262 89 M C 2.207 178.372 176.300 -0.225 0.000 1.065 89 M CA 2.001 56.965 55.300 -0.559 0.000 1.114 89 M CB -0.553 31.653 32.600 -0.655 0.000 1.361 89 M HN 0.422 nan 8.290 nan 0.000 0.408 90 T N 0.015 114.417 114.554 -0.253 0.000 2.821 90 T HA -0.158 4.335 4.350 0.238 0.000 0.267 90 T C 1.713 176.368 174.700 -0.075 0.000 1.046 90 T CA 1.140 63.124 62.100 -0.194 0.000 1.139 90 T CB -0.223 68.443 68.868 -0.337 0.000 0.871 90 T HN 0.361 nan 8.240 nan 0.000 0.454 91 K N 0.942 121.341 120.400 -0.003 0.000 2.209 91 K HA 0.009 4.472 4.320 0.238 0.000 0.204 91 K C 2.028 178.699 176.600 0.118 0.000 1.048 91 K CA 0.742 57.090 56.287 0.103 0.000 0.940 91 K CB -0.336 32.288 32.500 0.208 0.000 0.729 91 K HN 0.330 nan 8.250 nan 0.000 0.451 92 L N -0.340 120.922 121.223 0.064 0.000 2.263 92 L HA -0.150 4.333 4.340 0.238 0.000 0.216 92 L C 1.889 178.795 176.870 0.060 0.000 1.111 92 L CA 1.296 56.157 54.840 0.035 0.000 0.773 92 L CB -0.187 41.905 42.059 0.055 0.000 0.906 92 L HN 0.357 nan 8.230 nan 0.000 0.439 93 G N -1.391 107.390 108.800 -0.032 0.000 3.519 93 G HA2 0.446 4.548 3.960 0.238 0.000 0.269 93 G HA3 0.446 4.548 3.960 0.238 0.000 0.269 93 G C 0.375 175.237 174.900 -0.065 0.000 1.028 93 G CA 0.348 45.369 45.100 -0.131 0.000 0.809 93 G HN 0.266 nan 8.290 nan 0.000 0.521 94 A N -0.560 122.260 122.820 -0.000 0.000 2.304 94 A HA 0.680 5.143 4.320 0.238 0.000 0.271 94 A C -0.322 177.291 177.584 0.048 0.000 1.091 94 A CA -0.301 51.751 52.037 0.025 0.000 0.812 94 A CB 0.907 19.942 19.000 0.058 0.000 1.056 94 A HN 0.513 nan 8.150 nan 0.000 0.489 95 c N 0.809 119.438 118.600 0.048 0.000 3.241 95 c HA 0.618 5.331 4.570 0.238 0.000 0.312 95 c C 0.533 174.660 174.090 0.062 0.000 1.350 95 c CA -0.019 56.344 56.329 0.057 0.000 1.415 95 c CB 0.373 42.905 42.510 0.037 0.000 1.770 95 c HN 1.265 nan 8.230 nan 0.000 0.466 96 N N 1.513 120.253 118.700 0.067 0.000 1.149 96 N HA -0.231 4.652 4.740 0.238 0.000 0.118 96 N C 0.205 175.760 175.510 0.076 0.000 0.756 96 N CA 1.758 54.846 53.050 0.064 0.000 0.861 96 N CB -0.576 37.939 38.487 0.046 0.000 1.099 96 N HN 0.825 nan 8.380 nan 0.000 0.597 97 D N -0.693 119.746 120.400 0.064 0.000 2.218 97 D HA -0.045 4.738 4.640 0.238 0.000 0.204 97 D C 1.648 177.993 176.300 0.075 0.000 0.976 97 D CA 1.743 55.785 54.000 0.069 0.000 0.853 97 D CB -0.674 40.160 40.800 0.056 0.000 0.939 97 D HN 0.498 nan 8.370 nan 0.000 0.481 98 T N 1.216 115.809 114.554 0.065 0.000 2.708 98 T HA -0.134 4.358 4.350 0.238 0.000 0.266 98 T C 1.889 176.641 174.700 0.085 0.000 1.037 98 T CA 0.564 62.699 62.100 0.059 0.000 1.146 98 T CB -0.301 68.589 68.868 0.037 0.000 0.865 98 T HN 0.061 nan 8.240 nan 0.000 0.435 99 L N 1.288 122.569 121.223 0.097 0.000 2.017 99 L HA -0.055 4.427 4.340 0.238 0.000 0.208 99 L C 2.486 179.451 176.870 0.158 0.000 1.073 99 L CA 1.885 56.801 54.840 0.128 0.000 0.745 99 L CB -1.088 41.053 42.059 0.136 0.000 0.894 99 L HN 0.090 nan 8.230 nan 0.000 0.432 100 Q N -0.274 119.627 119.800 0.168 0.000 2.030 100 Q HA -0.262 4.221 4.340 0.238 0.000 0.204 100 Q C 2.319 178.416 176.000 0.162 0.000 0.986 100 Q CA 2.329 58.254 55.803 0.204 0.000 0.843 100 Q CB -0.329 28.508 28.738 0.166 0.000 0.904 100 Q HN 0.683 nan 8.270 nan 0.000 0.420 101 Q N -0.551 119.323 119.800 0.123 0.000 2.135 101 Q HA -0.158 4.325 4.340 0.238 0.000 0.204 101 Q C 2.164 178.232 176.000 0.114 0.000 0.981 101 Q CA 1.337 57.200 55.803 0.099 0.000 0.856 101 Q CB -0.168 28.619 28.738 0.081 0.000 0.902 101 Q HN 0.381 nan 8.270 nan 0.000 0.425 102 L N -0.195 121.123 121.223 0.159 0.000 1.994 102 L HA -0.225 4.257 4.340 0.238 0.000 0.208 102 L C 2.521 179.544 176.870 0.256 0.000 1.071 102 L CA 0.919 55.913 54.840 0.256 0.000 0.745 102 L CB -0.387 41.819 42.059 0.245 0.000 0.892 102 L HN 0.363 nan 8.230 nan 0.000 0.431 103 M N -0.590 119.121 119.600 0.185 0.000 2.082 103 M HA -0.265 4.357 4.480 0.238 0.000 0.258 103 M C 2.137 178.477 176.300 0.067 0.000 1.069 103 M CA 1.893 57.269 55.300 0.126 0.000 1.102 103 M CB -1.006 31.511 32.600 -0.138 0.000 1.336 103 M HN 0.284 nan 8.290 nan 0.000 0.404 104 E N -0.375 119.872 120.200 0.077 0.000 2.028 104 E HA -0.132 4.361 4.350 0.238 0.000 0.191 104 E C 2.096 178.677 176.600 -0.032 0.000 0.988 104 E CA 1.199 57.627 56.400 0.046 0.000 0.799 104 E CB -0.032 29.709 29.700 0.069 0.000 0.755 104 E HN 0.219 nan 8.360 nan 0.000 0.447 105 V N 0.424 120.294 119.914 -0.073 0.000 2.392 105 V HA -0.223 4.040 4.120 0.238 0.000 0.249 105 V C 1.453 177.307 176.094 -0.400 0.000 1.059 105 V CA 1.547 63.709 62.300 -0.229 0.000 1.051 105 V CB -0.383 31.248 31.823 -0.320 0.000 0.658 105 V HN 0.236 nan 8.190 nan 0.000 0.455 106 F N 0.143 119.896 119.950 -0.328 0.000 2.692 106 F HA 0.239 4.909 4.527 0.237 0.000 0.303 106 F C 1.202 176.602 175.800 -0.666 0.000 1.114 106 F CA -0.213 57.368 58.000 -0.698 0.000 1.361 106 F CB -0.039 38.166 39.000 -1.326 0.000 1.063 106 F HN 0.002 nan 8.300 nan 0.000 0.550 107 K N -1.558 118.715 120.400 -0.211 0.000 3.209 107 K HA -0.251 4.212 4.320 0.238 0.000 0.289 107 K C 0.610 177.204 176.600 -0.010 0.000 1.191 107 K CA 0.586 56.825 56.287 -0.081 0.000 0.851 107 K CB -2.790 29.694 32.500 -0.026 0.000 1.242 107 K HN 0.293 nan 8.250 nan 0.000 0.480 108 F N 1.532 121.492 119.950 0.018 0.000 2.407 108 F HA -0.071 4.599 4.527 0.239 0.000 0.299 108 F C 2.147 177.898 175.800 -0.082 0.000 1.097 108 F CA 1.360 59.327 58.000 -0.055 0.000 1.422 108 F CB -0.299 38.639 39.000 -0.102 0.000 1.067 108 F HN 0.220 nan 8.300 nan 0.000 0.539 109 D N -0.975 119.496 120.400 0.118 0.000 2.323 109 D HA -0.095 4.688 4.640 0.238 0.000 0.209 109 D C 1.532 177.917 176.300 0.142 0.000 0.973 109 D CA 1.127 55.216 54.000 0.148 0.000 0.874 109 D CB -1.388 39.552 40.800 0.234 0.000 0.930 109 D HN 0.288 nan 8.370 nan 0.000 0.521 110 T N -0.585 114.027 114.554 0.096 0.000 3.509 110 T HA 0.282 4.774 4.350 0.238 0.000 0.250 110 T C 1.001 175.735 174.700 0.056 0.000 1.076 110 T CA -0.553 61.587 62.100 0.067 0.000 0.966 110 T CB -1.328 67.563 68.868 0.039 0.000 1.046 110 T HN 0.425 nan 8.240 nan 0.000 0.591 111 I N -3.063 117.549 120.570 0.070 0.000 3.343 111 I HA 0.695 5.008 4.170 0.238 0.000 0.315 111 I C 0.010 176.158 176.117 0.051 0.000 1.153 111 I CA -1.617 59.710 61.300 0.045 0.000 0.952 111 I CB 1.552 39.566 38.000 0.023 0.000 1.287 111 I HN 0.054 nan 8.210 nan 0.000 0.472 112 S N 0.238 115.953 115.700 0.025 0.000 2.554 112 S HA -0.074 4.539 4.470 0.238 0.000 0.290 112 S C 0.942 175.570 174.600 0.047 0.000 1.309 112 S CA 0.650 58.864 58.200 0.023 0.000 1.047 112 S CB 0.679 63.874 63.200 -0.009 0.000 0.828 112 S HN 0.942 nan 8.310 nan 0.000 0.509 113 E N 2.288 122.523 120.200 0.059 0.000 2.070 113 E HA -0.288 4.204 4.350 0.238 0.000 0.197 113 E C 1.988 178.642 176.600 0.089 0.000 1.004 113 E CA 1.704 58.157 56.400 0.087 0.000 0.805 113 E CB -0.213 29.524 29.700 0.061 0.000 0.744 113 E HN 0.843 nan 8.360 nan 0.000 0.451 114 K N -0.379 120.054 120.400 0.054 0.000 2.002 114 K HA -0.140 4.323 4.320 0.238 0.000 0.209 114 K C 2.117 178.764 176.600 0.079 0.000 1.048 114 K CA 2.033 58.358 56.287 0.064 0.000 0.930 114 K CB -0.235 32.289 32.500 0.039 0.000 0.714 114 K HN 0.101 nan 8.250 nan 0.000 0.438 115 T N 0.536 115.080 114.554 -0.017 0.000 2.803 115 T HA -0.103 4.390 4.350 0.238 0.000 0.269 115 T C 1.969 176.696 174.700 0.046 0.000 1.052 115 T CA 1.576 63.631 62.100 -0.074 0.000 1.136 115 T CB -0.158 68.572 68.868 -0.229 0.000 0.864 115 T HN 0.228 nan 8.240 nan 0.000 0.467 116 S N 1.061 116.798 115.700 0.062 0.000 2.371 116 S HA -0.082 4.531 4.470 0.238 0.000 0.224 116 S C 1.721 176.369 174.600 0.080 0.000 1.029 116 S CA 0.777 59.013 58.200 0.060 0.000 0.978 116 S CB -0.272 63.036 63.200 0.179 0.000 0.833 116 S HN 0.479 nan 8.310 nan 0.000 0.466 117 D N 1.219 121.716 120.400 0.162 0.000 2.350 117 D HA -0.012 4.771 4.640 0.238 0.000 0.216 117 D C 0.738 177.110 176.300 0.119 0.000 0.968 117 D CA 0.767 54.868 54.000 0.167 0.000 0.894 117 D CB -0.012 40.879 40.800 0.151 0.000 0.909 117 D HN 0.466 nan 8.370 nan 0.000 0.520 118 Q N 0.036 119.918 119.800 0.137 0.000 2.215 118 Q HA 0.127 4.610 4.340 0.238 0.000 0.337 118 Q C 0.985 177.102 176.000 0.195 0.000 0.887 118 Q CA -0.174 55.736 55.803 0.179 0.000 1.134 118 Q CB 0.721 29.623 28.738 0.272 0.000 1.303 118 Q HN 0.132 nan 8.270 nan 0.000 0.421 119 I N -1.308 119.225 120.570 -0.062 0.000 2.151 119 I HA -0.334 3.979 4.170 0.238 0.000 0.243 119 I C 2.065 178.110 176.117 -0.119 0.000 1.080 119 I CA 1.749 62.918 61.300 -0.218 0.000 1.339 119 I CB -1.076 36.511 38.000 -0.688 0.000 1.039 119 I HN 0.303 nan 8.210 nan 0.000 0.409 120 H N 0.293 119.391 119.070 0.047 0.000 2.289 120 H HA -0.213 4.486 4.556 0.238 0.000 0.296 120 H C 2.244 177.530 175.328 -0.070 0.000 1.091 120 H CA 2.193 58.259 56.048 0.029 0.000 1.274 120 H CB -1.018 28.750 29.762 0.011 0.000 1.364 120 H HN 0.447 nan 8.280 nan 0.000 0.490 121 F N 1.074 120.969 119.950 -0.091 0.000 2.095 121 F HA -0.234 4.435 4.527 0.238 0.000 0.298 121 F C 2.079 177.636 175.800 -0.406 0.000 1.104 121 F CA 1.297 59.108 58.000 -0.316 0.000 1.232 121 F CB -0.512 38.188 39.000 -0.499 0.000 0.987 121 F HN -0.070 nan 8.300 nan 0.000 0.475 122 F N -1.456 118.550 119.950 0.092 0.000 2.456 122 F HA -0.055 4.615 4.527 0.238 0.000 0.298 122 F C 2.036 177.817 175.800 -0.031 0.000 1.104 122 F CA 0.521 58.524 58.000 0.006 0.000 1.435 122 F CB -0.977 38.065 39.000 0.070 0.000 1.078 122 F HN -0.009 nan 8.300 nan 0.000 0.546 123 F N 0.759 120.697 119.950 -0.020 0.000 2.163 123 F HA -0.020 4.649 4.527 0.238 0.000 0.297 123 F C 2.363 178.114 175.800 -0.081 0.000 1.094 123 F CA 0.693 58.691 58.000 -0.003 0.000 1.290 123 F CB -0.930 38.110 39.000 0.067 0.000 1.017 123 F HN -0.063 nan 8.300 nan 0.000 0.483 124 A N 0.222 123.037 122.820 -0.009 0.000 1.883 124 A HA -0.196 4.267 4.320 0.238 0.000 0.217 124 A C 2.348 179.823 177.584 -0.182 0.000 1.186 124 A CA 1.630 53.541 52.037 -0.211 0.000 0.624 124 A CB -0.593 18.138 19.000 -0.448 0.000 0.822 124 A HN 0.178 nan 8.150 nan 0.000 0.444 125 K N -0.652 119.569 120.400 -0.298 0.000 2.057 125 K HA -0.128 4.335 4.320 0.238 0.000 0.207 125 K C 1.922 178.502 176.600 -0.033 0.000 1.049 125 K CA 1.426 57.597 56.287 -0.194 0.000 0.931 125 K CB -0.792 31.607 32.500 -0.169 0.000 0.714 125 K HN 0.491 nan 8.250 nan 0.000 0.440 126 L N 1.879 123.121 121.223 0.032 0.000 2.093 126 L HA -0.126 4.357 4.340 0.238 0.000 0.208 126 L C 1.531 178.398 176.870 -0.004 0.000 1.085 126 L CA 1.720 56.580 54.840 0.033 0.000 0.755 126 L CB -0.549 41.524 42.059 0.024 0.000 0.904 126 L HN 0.079 nan 8.230 nan 0.000 0.435 127 N N -0.685 118.057 118.700 0.069 0.000 2.142 127 N HA -0.163 4.720 4.740 0.238 0.000 0.186 127 N C 1.931 177.422 175.510 -0.031 0.000 1.023 127 N CA 1.677 54.739 53.050 0.020 0.000 0.852 127 N CB -0.904 37.733 38.487 0.249 0.000 0.998 127 N HN 0.438 nan 8.380 nan 0.000 0.424 128 c N 0.803 119.404 118.600 0.003 0.000 2.398 128 c HA -0.094 4.618 4.570 0.238 0.000 0.276 128 c C 2.761 176.848 174.090 -0.005 0.000 1.222 128 c CA 0.567 56.902 56.329 0.010 0.000 1.746 128 c CB -0.908 41.587 42.510 -0.026 0.000 2.039 128 c HN 0.488 nan 8.230 nan 0.000 0.470 129 R N 0.313 120.793 120.500 -0.032 0.000 2.090 129 R HA -0.017 4.465 4.340 0.238 0.000 0.228 129 R C 2.139 178.396 176.300 -0.073 0.000 1.110 129 R CA 1.121 57.207 56.100 -0.024 0.000 0.973 129 R CB -0.263 30.036 30.300 -0.002 0.000 0.869 129 R HN 0.500 nan 8.270 nan 0.000 0.440 130 L N -0.188 120.905 121.223 -0.216 0.000 2.046 130 L HA -0.177 4.306 4.340 0.238 0.000 0.208 130 L C 1.279 177.952 176.870 -0.329 0.000 1.077 130 L CA 1.302 55.906 54.840 -0.394 0.000 0.747 130 L CB -0.227 41.349 42.059 -0.806 0.000 0.896 130 L HN 0.280 nan 8.230 nan 0.000 0.432 131 Y N -0.750 119.598 120.300 0.080 0.000 2.524 131 Y HA 0.218 4.911 4.550 0.237 0.000 0.266 131 Y C 1.451 177.390 175.900 0.064 0.000 1.180 131 Y CA -0.693 57.454 58.100 0.078 0.000 1.244 131 Y CB -1.195 37.310 38.460 0.074 0.000 1.125 131 Y HN 0.009 nan 8.280 nan 0.000 0.524 132 R N 1.724 122.308 120.500 0.139 0.000 2.537 132 R HA 0.436 4.918 4.340 0.238 0.000 0.281 132 R C 0.521 176.885 176.300 0.106 0.000 0.988 132 R CA 0.562 56.723 56.100 0.102 0.000 1.077 132 R CB -1.221 29.118 30.300 0.065 0.000 0.932 132 R HN 0.458 nan 8.270 nan 0.000 0.409 137 S N -0.043 115.705 115.700 0.080 0.000 2.556 137 S HA 0.237 4.849 4.470 0.238 0.000 0.216 137 S C 0.022 174.646 174.600 0.041 0.000 0.970 137 S CA 0.785 59.021 58.200 0.060 0.000 0.912 137 S CB -0.054 63.190 63.200 0.073 0.000 0.790 137 S HN 0.666 nan 8.310 nan 0.000 0.504 138 S N 2.243 117.987 115.700 0.073 0.000 2.422 138 S HA 0.344 4.957 4.470 0.238 0.000 0.308 138 S C -0.558 174.075 174.600 0.055 0.000 1.097 138 S CA -0.593 57.636 58.200 0.048 0.000 1.099 138 S CB 1.322 64.643 63.200 0.201 0.000 0.976 138 S HN 0.359 nan 8.310 nan 0.000 0.471 139 K N 3.154 123.519 120.400 -0.059 0.000 2.227 139 K HA 0.471 4.934 4.320 0.238 0.000 0.280 139 K C -1.377 175.294 176.600 0.119 0.000 1.041 139 K CA -0.604 55.697 56.287 0.024 0.000 0.905 139 K CB 0.500 33.000 32.500 -0.000 0.000 1.068 139 K HN 0.441 nan 8.250 nan 0.000 0.470 140 L N 6.407 127.776 121.223 0.243 0.000 2.504 140 L HA 0.334 4.817 4.340 0.238 0.000 0.265 140 L C -1.272 175.803 176.870 0.341 0.000 0.975 140 L CA -0.589 54.470 54.840 0.365 0.000 0.864 140 L CB 1.499 43.813 42.059 0.425 0.000 1.212 140 L HN 0.439 nan 8.230 nan 0.000 0.416 141 V N 1.249 121.293 119.914 0.216 0.000 3.155 141 V HA 1.007 5.270 4.120 0.238 0.000 0.313 141 V C -0.559 175.356 176.094 -0.298 0.000 1.162 141 V CA -0.429 61.862 62.300 -0.015 0.000 1.048 141 V CB 1.890 33.728 31.823 0.024 0.000 1.092 141 V HN 0.828 nan 8.190 nan 0.000 0.447 142 S N 0.294 115.674 115.700 -0.534 0.000 2.535 142 S HA 0.850 5.463 4.470 0.238 0.000 0.272 142 S C -0.922 173.521 174.600 -0.261 0.000 1.149 142 S CA 0.131 58.032 58.200 -0.498 0.000 0.888 142 S CB 1.399 63.986 63.200 -1.020 0.000 1.110 142 S HN 2.331 nan 8.310 nan 0.000 0.463 143 A N 3.918 126.676 122.820 -0.104 0.000 2.398 143 A HA 0.820 5.282 4.320 0.238 0.000 0.301 143 A C -1.002 176.716 177.584 0.223 0.000 1.041 143 A CA -0.802 51.260 52.037 0.042 0.000 0.711 143 A CB 1.137 20.143 19.000 0.010 0.000 1.240 143 A HN 0.752 nan 8.150 nan 0.000 0.420 144 N N 0.782 119.598 118.700 0.193 0.000 2.402 144 N HA 0.844 5.726 4.740 0.238 0.000 0.294 144 N C -0.471 175.019 175.510 -0.033 0.000 1.203 144 N CA -0.519 52.601 53.050 0.117 0.000 0.838 144 N CB 2.171 40.656 38.487 -0.004 0.000 1.306 144 N HN 0.841 nan 8.380 nan 0.000 0.510 145 R N 0.154 120.486 120.500 -0.280 0.000 2.728 145 R HA 0.368 4.851 4.340 0.238 0.000 0.259 145 R C -2.102 173.740 176.300 -0.763 0.000 1.057 145 R CA -0.521 55.177 56.100 -0.670 0.000 0.908 145 R CB 0.397 29.924 30.300 -1.288 0.000 1.259 145 R HN 0.474 nan 8.270 nan 0.000 0.472 146 L N 3.346 124.093 121.223 -0.795 0.000 2.331 146 L HA 0.658 5.141 4.340 0.238 0.000 0.275 146 L C -0.836 175.505 176.870 -0.881 0.000 1.022 146 L CA -0.858 53.607 54.840 -0.625 0.000 0.812 146 L CB 1.375 43.180 42.059 -0.422 0.000 1.257 146 L HN 0.540 nan 8.230 nan 0.000 0.435 147 F N 0.373 120.214 119.950 -0.182 0.000 2.553 147 F HA 0.603 5.272 4.527 0.237 0.000 0.335 147 F C 0.542 176.367 175.800 0.041 0.000 1.148 147 F CA -0.603 57.329 58.000 -0.114 0.000 0.963 147 F CB 1.958 40.954 39.000 -0.007 0.000 1.217 147 F HN 0.406 nan 8.300 nan 0.000 0.441 148 G N 1.221 110.040 108.800 0.031 0.000 2.453 148 G HA2 0.395 4.498 3.960 0.238 0.000 0.323 148 G HA3 0.395 4.498 3.960 0.238 0.000 0.323 148 G C -1.616 173.426 174.900 0.236 0.000 1.198 148 G CA -0.752 44.452 45.100 0.174 0.000 0.959 148 G HN 0.532 nan 8.290 nan 0.000 0.482 149 D N 0.062 120.764 120.400 0.503 0.000 2.493 149 D HA 0.038 4.821 4.640 0.238 0.000 0.240 149 D C 1.510 177.922 176.300 0.187 0.000 1.142 149 D CA 0.227 54.384 54.000 0.261 0.000 0.872 149 D CB 0.868 41.893 40.800 0.376 0.000 1.173 149 D HN 0.317 nan 8.370 nan 0.000 0.467 150 K N 1.234 121.650 120.400 0.026 0.000 2.218 150 K HA -0.154 4.309 4.320 0.238 0.000 0.205 150 K C 1.607 178.243 176.600 0.060 0.000 1.046 150 K CA 1.399 57.702 56.287 0.028 0.000 0.933 150 K CB 0.005 32.487 32.500 -0.030 0.000 0.728 150 K HN 0.506 nan 8.250 nan 0.000 0.454 151 S N -0.301 115.435 115.700 0.061 0.000 2.575 151 S HA 0.134 4.747 4.470 0.238 0.000 0.215 151 S C 0.551 175.162 174.600 0.020 0.000 0.966 151 S CA -0.410 57.812 58.200 0.037 0.000 0.911 151 S CB 0.012 63.227 63.200 0.025 0.000 0.780 151 S HN 0.029 nan 8.310 nan 0.000 0.514 152 L N 1.738 122.977 121.223 0.026 0.000 2.360 152 L HA 0.455 4.937 4.340 0.238 0.000 0.271 152 L C -0.234 176.570 176.870 -0.110 0.000 1.057 152 L CA -0.610 54.154 54.840 -0.127 0.000 0.803 152 L CB 1.493 43.330 42.059 -0.371 0.000 1.207 152 L HN 0.001 nan 8.230 nan 0.000 0.445 153 T N 2.031 116.481 114.554 -0.172 0.000 2.738 153 T HA 0.434 4.926 4.350 0.238 0.000 0.298 153 T C -0.336 174.274 174.700 -0.149 0.000 0.962 153 T CA -0.233 61.830 62.100 -0.061 0.000 0.972 153 T CB -0.095 68.751 68.868 -0.038 0.000 0.928 153 T HN 0.074 nan 8.240 nan 0.000 0.474 154 F N 2.497 122.467 119.950 0.032 0.000 2.371 154 F HA 0.303 4.973 4.527 0.238 0.000 0.329 154 F C 1.261 177.101 175.800 0.067 0.000 1.107 154 F CA -1.124 56.912 58.000 0.061 0.000 1.137 154 F CB 0.594 39.654 39.000 0.100 0.000 1.214 154 F HN 0.381 nan 8.300 nan 0.000 0.536 155 N N 2.064 120.925 118.700 0.269 0.000 2.447 155 N HA -0.070 4.812 4.740 0.238 0.000 0.263 155 N C 0.802 176.437 175.510 0.208 0.000 1.226 155 N CA 0.436 53.601 53.050 0.192 0.000 0.906 155 N CB 0.596 39.188 38.487 0.175 0.000 1.060 155 N HN 0.715 nan 8.380 nan 0.000 0.468 156 E N 1.904 122.174 120.200 0.117 0.000 2.072 156 E HA -0.136 4.357 4.350 0.238 0.000 0.191 156 E C 1.188 177.813 176.600 0.041 0.000 0.985 156 E CA 1.447 57.886 56.400 0.064 0.000 0.801 156 E CB 0.140 29.862 29.700 0.036 0.000 0.750 156 E HN 0.670 nan 8.360 nan 0.000 0.452 157 T N 0.624 115.214 114.554 0.059 0.000 2.635 157 T HA -0.250 4.242 4.350 0.238 0.000 0.267 157 T C 1.609 176.338 174.700 0.048 0.000 1.040 157 T CA 1.693 63.820 62.100 0.045 0.000 1.156 157 T CB -0.589 68.315 68.868 0.060 0.000 0.863 157 T HN 0.291 nan 8.240 nan 0.000 0.430 158 Y N 1.734 122.031 120.300 -0.005 0.000 2.114 158 Y HA -0.238 4.454 4.550 0.237 0.000 0.282 158 Y C 2.668 178.545 175.900 -0.039 0.000 1.165 158 Y CA 1.893 59.983 58.100 -0.016 0.000 1.148 158 Y CB -0.695 37.775 38.460 0.016 0.000 0.972 158 Y HN 0.244 nan 8.280 nan 0.000 0.504 159 Q N -0.215 119.409 119.800 -0.293 0.000 2.050 159 Q HA -0.200 4.283 4.340 0.238 0.000 0.202 159 Q C 1.781 177.598 176.000 -0.305 0.000 0.980 159 Q CA 1.920 57.483 55.803 -0.401 0.000 0.840 159 Q CB -0.146 28.491 28.738 -0.169 0.000 0.898 159 Q HN 0.499 nan 8.270 nan 0.000 0.424 160 D N 0.233 120.528 120.400 -0.176 0.000 2.144 160 D HA -0.140 4.642 4.640 0.238 0.000 0.199 160 D C 1.852 178.059 176.300 -0.154 0.000 0.984 160 D CA 1.036 54.953 54.000 -0.138 0.000 0.834 160 D CB -0.095 40.657 40.800 -0.081 0.000 0.955 160 D HN 0.380 nan 8.370 nan 0.000 0.465 161 I N 0.639 121.111 120.570 -0.163 0.000 2.353 161 I HA -0.186 4.126 4.170 0.238 0.000 0.248 161 I C 2.201 178.197 176.117 -0.201 0.000 1.119 161 I CA 0.620 61.826 61.300 -0.157 0.000 1.417 161 I CB -0.134 37.797 38.000 -0.116 0.000 1.078 161 I HN -0.132 nan 8.210 nan 0.000 0.421 162 S N 0.190 115.721 115.700 -0.281 0.000 2.419 162 S HA -0.229 4.384 4.470 0.238 0.000 0.233 162 S C 1.891 176.386 174.600 -0.175 0.000 1.016 162 S CA 1.428 59.490 58.200 -0.229 0.000 0.974 162 S CB -0.219 62.695 63.200 -0.477 0.000 0.786 162 S HN 0.484 nan 8.310 nan 0.000 0.492 163 E N 0.586 120.661 120.200 -0.209 0.000 2.086 163 E HA -0.036 4.456 4.350 0.238 0.000 0.190 163 E C 2.038 178.549 176.600 -0.147 0.000 0.975 163 E CA 0.446 56.745 56.400 -0.169 0.000 0.813 163 E CB -0.137 29.463 29.700 -0.167 0.000 0.768 163 E HN 0.313 nan 8.360 nan 0.000 0.457 164 L N 0.408 121.539 121.223 -0.153 0.000 2.017 164 L HA -0.125 4.358 4.340 0.238 0.000 0.208 164 L C 2.145 178.893 176.870 -0.203 0.000 1.073 164 L CA 1.514 56.266 54.840 -0.146 0.000 0.745 164 L CB -0.397 41.590 42.059 -0.121 0.000 0.894 164 L HN 0.077 nan 8.230 nan 0.000 0.432 165 V N -1.482 118.255 119.914 -0.295 0.000 2.346 165 V HA -0.210 4.053 4.120 0.238 0.000 0.244 165 V C 1.759 177.445 176.094 -0.680 0.000 1.037 165 V CA 1.618 63.599 62.300 -0.532 0.000 1.029 165 V CB -0.625 30.750 31.823 -0.747 0.000 0.663 165 V HN 0.454 nan 8.190 nan 0.000 0.454 166 Y N -0.006 120.198 120.300 -0.160 0.000 2.467 166 Y HA 0.502 5.194 4.550 0.237 0.000 0.250 166 Y C 1.862 177.684 175.900 -0.131 0.000 1.155 166 Y CA 0.120 58.124 58.100 -0.160 0.000 1.249 166 Y CB 0.130 38.467 38.460 -0.206 0.000 1.146 166 Y HN 0.292 nan 8.280 nan 0.000 0.524 167 G N 0.842 109.615 108.800 -0.045 0.000 2.179 167 G HA2 -0.213 3.890 3.960 0.238 0.000 0.257 167 G HA3 -0.213 3.890 3.960 0.238 0.000 0.257 167 G C 0.195 175.052 174.900 -0.071 0.000 1.010 167 G CA 0.168 45.235 45.100 -0.055 0.000 0.736 167 G HN 0.623 nan 8.290 nan 0.000 0.513 168 A N 0.260 123.021 122.820 -0.097 0.000 2.279 168 A HA 0.657 5.119 4.320 0.238 0.000 0.306 168 A C 0.698 178.122 177.584 -0.267 0.000 1.300 168 A CA -0.190 51.732 52.037 -0.191 0.000 0.925 168 A CB 0.477 19.357 19.000 -0.201 0.000 1.152 168 A HN 0.389 nan 8.150 nan 0.000 0.544 169 K N 1.511 121.730 120.400 -0.303 0.000 2.098 169 K HA 0.434 4.896 4.320 0.238 0.000 0.244 169 K C -0.781 175.564 176.600 -0.426 0.000 1.014 169 K CA -0.519 55.581 56.287 -0.312 0.000 0.917 169 K CB 1.348 33.692 32.500 -0.259 0.000 1.072 169 K HN 0.639 nan 8.250 nan 0.000 0.477 170 L N 2.419 123.409 121.223 -0.389 0.000 2.283 170 L HA 0.165 4.648 4.340 0.238 0.000 0.281 170 L C -0.433 176.204 176.870 -0.389 0.000 1.033 170 L CA -0.323 54.248 54.840 -0.447 0.000 0.848 170 L CB 0.973 42.764 42.059 -0.445 0.000 1.226 170 L HN 0.566 nan 8.230 nan 0.000 0.429 171 Q N 7.082 126.607 119.800 -0.457 0.000 2.274 171 Q HA 0.433 4.916 4.340 0.238 0.000 0.256 171 Q C -2.405 173.485 176.000 -0.183 0.000 0.927 171 Q CA -1.795 53.828 55.803 -0.299 0.000 0.939 171 Q CB 1.550 30.094 28.738 -0.324 0.000 1.201 171 Q HN 0.327 nan 8.270 nan 0.000 0.426 172 P HA 0.269 nan 4.420 nan 0.000 0.282 172 P C -1.063 176.151 177.300 -0.144 0.000 1.249 172 P CA -0.187 62.844 63.100 -0.116 0.000 0.806 172 P CB 1.252 32.907 31.700 -0.075 0.000 0.984 173 L N 1.476 122.531 121.223 -0.279 0.000 2.424 173 L HA 0.348 4.830 4.340 0.238 0.000 0.258 173 L C -0.239 176.303 176.870 -0.545 0.000 0.995 173 L CA -0.741 53.833 54.840 -0.443 0.000 0.821 173 L CB 2.524 44.181 42.059 -0.669 0.000 1.383 173 L HN 0.254 nan 8.230 nan 0.000 0.410 174 D N 0.590 120.760 120.400 -0.383 0.000 2.524 174 D HA 0.236 5.019 4.640 0.238 0.000 0.222 174 D C 0.512 176.721 176.300 -0.151 0.000 1.142 174 D CA -0.181 53.686 54.000 -0.221 0.000 0.973 174 D CB 0.344 41.083 40.800 -0.101 0.000 1.025 174 D HN 0.203 nan 8.370 nan 0.000 0.519 175 F N 1.560 121.525 119.950 0.026 0.000 2.163 175 F HA 0.052 4.722 4.527 0.238 0.000 0.297 175 F C 2.421 178.232 175.800 0.018 0.000 1.094 175 F CA 0.594 58.605 58.000 0.019 0.000 1.290 175 F CB -0.408 38.610 39.000 0.030 0.000 1.017 175 F HN 0.283 nan 8.300 nan 0.000 0.483 176 K N -0.024 120.501 120.400 0.208 0.000 2.242 176 K HA -0.242 4.221 4.320 0.238 0.000 0.206 176 K C 1.210 177.859 176.600 0.081 0.000 1.045 176 K CA 1.981 58.341 56.287 0.121 0.000 0.930 176 K CB -0.102 32.449 32.500 0.084 0.000 0.726 176 K HN 0.340 nan 8.250 nan 0.000 0.462 177 E N -1.633 118.606 120.200 0.066 0.000 2.753 177 E HA 0.083 4.576 4.350 0.238 0.000 0.218 177 E C -0.813 175.808 176.600 0.036 0.000 0.956 177 E CA -0.048 56.378 56.400 0.043 0.000 1.244 177 E CB 0.693 30.407 29.700 0.025 0.000 1.114 177 E HN 0.095 nan 8.360 nan 0.000 0.530 178 N N -0.438 118.290 118.700 0.046 0.000 2.595 178 N HA 0.217 5.099 4.740 0.238 0.000 0.291 178 N C 0.290 175.840 175.510 0.067 0.000 1.706 178 N CA 0.442 53.511 53.050 0.032 0.000 0.867 178 N CB 1.016 39.500 38.487 -0.005 0.000 1.414 178 N HN 0.122 nan 8.380 nan 0.000 0.492 179 A N 0.560 123.450 122.820 0.117 0.000 1.863 179 A HA -0.293 4.169 4.320 0.238 0.000 0.218 179 A C 2.049 179.698 177.584 0.107 0.000 1.233 179 A CA 2.197 54.337 52.037 0.170 0.000 0.655 179 A CB -0.558 18.512 19.000 0.115 0.000 0.839 179 A HN 0.437 nan 8.150 nan 0.000 0.454 180 E N -0.265 119.967 120.200 0.053 0.000 2.097 180 E HA -0.272 4.221 4.350 0.238 0.000 0.196 180 E C 2.189 178.795 176.600 0.011 0.000 1.000 180 E CA 2.129 58.542 56.400 0.022 0.000 0.804 180 E CB -0.459 29.246 29.700 0.010 0.000 0.740 180 E HN 0.734 nan 8.360 nan 0.000 0.454 181 Q N -0.313 119.492 119.800 0.009 0.000 2.050 181 Q HA -0.147 4.336 4.340 0.238 0.000 0.202 181 Q C 2.220 178.206 176.000 -0.023 0.000 0.980 181 Q CA 2.036 57.832 55.803 -0.011 0.000 0.840 181 Q CB -0.213 28.515 28.738 -0.016 0.000 0.898 181 Q HN 0.278 nan 8.270 nan 0.000 0.424 182 S N 0.841 116.532 115.700 -0.014 0.000 2.359 182 S HA -0.234 4.379 4.470 0.238 0.000 0.224 182 S C 1.830 176.413 174.600 -0.029 0.000 1.035 182 S CA 1.581 59.753 58.200 -0.047 0.000 1.018 182 S CB -0.468 62.706 63.200 -0.044 0.000 0.876 182 S HN 0.438 nan 8.310 nan 0.000 0.448 183 R N 1.503 122.021 120.500 0.030 0.000 2.096 183 R HA -0.148 4.334 4.340 0.238 0.000 0.240 183 R C 2.309 178.568 176.300 -0.068 0.000 1.139 183 R CA 1.570 57.657 56.100 -0.022 0.000 0.952 183 R CB -0.589 29.700 30.300 -0.018 0.000 0.854 183 R HN 0.374 nan 8.270 nan 0.000 0.436 184 A N 0.699 123.489 122.820 -0.050 0.000 1.933 184 A HA -0.097 4.366 4.320 0.238 0.000 0.218 184 A C 2.389 179.939 177.584 -0.056 0.000 1.175 184 A CA 1.678 53.686 52.037 -0.049 0.000 0.628 184 A CB -0.736 18.243 19.000 -0.035 0.000 0.814 184 A HN 0.601 nan 8.150 nan 0.000 0.444 185 A N 0.068 122.843 122.820 -0.074 0.000 1.877 185 A HA -0.084 4.378 4.320 0.238 0.000 0.216 185 A C 2.123 179.642 177.584 -0.109 0.000 1.186 185 A CA 1.526 53.519 52.037 -0.074 0.000 0.620 185 A CB -0.592 18.351 19.000 -0.096 0.000 0.822 185 A HN 0.501 nan 8.150 nan 0.000 0.443 186 I N 0.057 120.456 120.570 -0.284 0.000 2.179 186 I HA -0.263 4.050 4.170 0.238 0.000 0.242 186 I C 2.032 178.115 176.117 -0.057 0.000 1.088 186 I CA 1.277 62.318 61.300 -0.432 0.000 1.357 186 I CB -0.524 37.108 38.000 -0.614 0.000 1.051 186 I HN 0.299 nan 8.210 nan 0.000 0.409 187 N N 0.939 119.605 118.700 -0.056 0.000 2.223 187 N HA -0.204 4.679 4.740 0.238 0.000 0.185 187 N C 1.759 177.273 175.510 0.007 0.000 1.016 187 N CA 1.118 54.160 53.050 -0.013 0.000 0.863 187 N CB -0.267 38.194 38.487 -0.043 0.000 0.983 187 N HN 0.407 nan 8.380 nan 0.000 0.429 188 K N -0.408 120.001 120.400 0.015 0.000 2.062 188 K HA -0.134 4.328 4.320 0.238 0.000 0.205 188 K C 2.031 178.661 176.600 0.050 0.000 1.051 188 K CA 0.637 56.932 56.287 0.013 0.000 0.941 188 K CB -0.193 32.315 32.500 0.013 0.000 0.719 188 K HN 0.145 nan 8.250 nan 0.000 0.440 189 W N 1.444 122.724 121.300 -0.033 0.000 2.335 189 W HA -0.244 4.558 4.660 0.237 0.000 0.311 189 W C 1.608 178.136 176.519 0.014 0.000 1.213 189 W CA 1.558 58.917 57.345 0.025 0.000 1.274 189 W CB -0.469 29.078 29.460 0.145 0.000 1.148 189 W HN -0.174 nan 8.180 nan 0.000 0.498 190 V N 0.260 120.251 119.914 0.128 0.000 2.392 190 V HA -0.346 3.917 4.120 0.238 0.000 0.249 190 V C 2.515 178.482 176.094 -0.211 0.000 1.059 190 V CA 2.213 64.465 62.300 -0.081 0.000 1.051 190 V CB -1.436 30.447 31.823 0.101 0.000 0.658 190 V HN 0.368 nan 8.190 nan 0.000 0.455 191 S N 0.034 115.647 115.700 -0.144 0.000 2.355 191 S HA -0.243 4.370 4.470 0.238 0.000 0.222 191 S C 2.105 176.560 174.600 -0.243 0.000 1.031 191 S CA 1.764 59.864 58.200 -0.166 0.000 0.993 191 S CB -0.586 62.542 63.200 -0.119 0.000 0.859 191 S HN 0.684 nan 8.310 nan 0.000 0.453 192 N N 0.720 119.259 118.700 -0.269 0.000 2.149 192 N HA -0.115 4.768 4.740 0.238 0.000 0.188 192 N C 1.145 176.409 175.510 -0.410 0.000 1.019 192 N CA 1.060 53.926 53.050 -0.307 0.000 0.857 192 N CB -0.127 38.190 38.487 -0.282 0.000 0.997 192 N HN 0.291 nan 8.380 nan 0.000 0.426 193 K N -0.005 120.061 120.400 -0.556 0.000 2.459 193 K HA 0.032 4.494 4.320 0.238 0.000 0.193 193 K C 0.995 177.365 176.600 -0.382 0.000 1.030 193 K CA 0.597 56.560 56.287 -0.541 0.000 1.026 193 K CB 0.073 32.099 32.500 -0.791 0.000 0.809 193 K HN 0.383 nan 8.250 nan 0.000 0.504 194 T N -1.349 113.004 114.554 -0.335 0.000 3.296 194 T HA 0.166 4.659 4.350 0.238 0.000 0.285 194 T C -0.156 174.314 174.700 -0.384 0.000 1.014 194 T CA -0.435 61.527 62.100 -0.230 0.000 0.920 194 T CB 0.160 68.994 68.868 -0.056 0.000 1.143 194 T HN -0.012 nan 8.240 nan 0.000 0.522 195 E N 1.080 120.958 120.200 -0.537 0.000 2.403 195 E HA -0.240 4.253 4.350 0.238 0.000 0.241 195 E C 1.153 177.571 176.600 -0.303 0.000 1.201 195 E CA 1.000 57.124 56.400 -0.461 0.000 0.721 195 E CB -2.031 27.302 29.700 -0.611 0.000 1.245 195 E HN 1.254 nan 8.360 nan 0.000 0.392 196 G N 0.054 108.697 108.800 -0.263 0.000 2.179 196 G HA2 -0.400 3.702 3.960 0.238 0.000 0.257 196 G HA3 -0.400 3.702 3.960 0.238 0.000 0.257 196 G C 0.970 175.713 174.900 -0.263 0.000 1.010 196 G CA 0.771 45.739 45.100 -0.219 0.000 0.736 196 G HN 0.260 nan 8.290 nan 0.000 0.513 197 R N -0.648 119.658 120.500 -0.323 0.000 2.128 197 R HA 0.247 4.729 4.340 0.238 0.000 0.211 197 R C 1.158 177.282 176.300 -0.293 0.000 1.067 197 R CA 0.631 56.411 56.100 -0.534 0.000 1.010 197 R CB 0.129 29.953 30.300 -0.793 0.000 0.922 197 R HN 0.456 nan 8.270 nan 0.000 0.457 198 I N 2.468 122.948 120.570 -0.150 0.000 2.337 198 I HA 0.136 4.449 4.170 0.238 0.000 0.285 198 I C 0.896 176.971 176.117 -0.071 0.000 1.041 198 I CA 0.063 61.328 61.300 -0.058 0.000 1.199 198 I CB 1.060 39.053 38.000 -0.012 0.000 1.370 198 I HN 0.052 nan 8.210 nan 0.000 0.470 199 T N -0.406 114.112 114.554 -0.060 0.000 3.044 199 T HA 0.133 4.625 4.350 0.238 0.000 0.260 199 T C 0.328 175.002 174.700 -0.044 0.000 1.019 199 T CA -0.072 61.992 62.100 -0.059 0.000 0.921 199 T CB -0.026 68.802 68.868 -0.066 0.000 1.053 199 T HN 0.495 nan 8.240 nan 0.000 0.533 200 D N 0.760 121.138 120.400 -0.036 0.000 3.007 200 D HA 0.157 4.940 4.640 0.238 0.000 0.363 200 D C 1.247 177.511 176.300 -0.061 0.000 1.474 200 D CA -0.450 53.521 54.000 -0.049 0.000 0.767 200 D CB -0.583 40.189 40.800 -0.046 0.000 1.227 200 D HN 0.198 nan 8.370 nan 0.000 0.471 201 V N -0.352 119.538 119.914 -0.039 0.000 2.277 201 V HA -0.230 4.032 4.120 0.238 0.000 0.253 201 V C 1.395 177.426 176.094 -0.104 0.000 1.067 201 V CA 1.191 63.474 62.300 -0.027 0.000 1.047 201 V CB -0.945 30.895 31.823 0.029 0.000 0.649 201 V HN 0.396 nan 8.190 nan 0.000 0.447 202 I N 3.727 124.204 120.570 -0.155 0.000 2.312 202 I HA 0.284 4.596 4.170 0.238 0.000 0.291 202 I C -2.073 173.819 176.117 -0.375 0.000 1.031 202 I CA -1.922 59.165 61.300 -0.355 0.000 1.293 202 I CB 1.155 39.035 38.000 -0.201 0.000 1.403 202 I HN 0.168 nan 8.210 nan 0.000 0.484 203 P HA 0.083 nan 4.420 nan 0.000 0.274 203 P C -0.306 176.852 177.300 -0.237 0.000 1.237 203 P CA -0.370 62.529 63.100 -0.335 0.000 0.793 203 P CB 0.859 32.350 31.700 -0.348 0.000 0.977 204 S N 0.409 116.030 115.700 -0.130 0.000 2.568 204 S HA 0.044 4.657 4.470 0.238 0.000 0.282 204 S C 0.603 175.165 174.600 -0.063 0.000 1.338 204 S CA 0.101 58.252 58.200 -0.081 0.000 1.045 204 S CB 0.009 63.181 63.200 -0.047 0.000 0.873 204 S HN 0.539 nan 8.310 nan 0.000 0.516 205 E N -0.165 120.013 120.200 -0.037 0.000 4.153 205 E HA -0.230 4.262 4.350 0.238 0.000 0.376 205 E C 1.167 177.768 176.600 0.001 0.000 0.598 205 E CA 1.457 57.852 56.400 -0.009 0.000 1.343 205 E CB -1.922 27.781 29.700 0.004 0.000 1.793 205 E HN 0.849 nan 8.360 nan 0.000 0.392 206 A N 0.141 122.945 122.820 -0.027 0.000 1.969 206 A HA 0.152 4.614 4.320 0.238 0.000 0.218 206 A C 1.090 178.684 177.584 0.017 0.000 1.169 206 A CA 1.119 53.173 52.037 0.029 0.000 0.635 206 A CB -0.038 18.935 19.000 -0.044 0.000 0.810 206 A HN 0.252 nan 8.150 nan 0.000 0.445 207 I N 1.133 121.684 120.570 -0.032 0.000 2.359 207 I HA 0.311 4.623 4.170 0.238 0.000 0.294 207 I C -0.417 175.682 176.117 -0.030 0.000 0.987 207 I CA -0.687 60.564 61.300 -0.081 0.000 1.225 207 I CB 1.470 39.415 38.000 -0.091 0.000 1.366 207 I HN 0.497 nan 8.210 nan 0.000 0.466 208 N N 2.949 121.623 118.700 -0.044 0.000 2.831 208 N HA 0.258 5.141 4.740 0.238 0.000 0.276 208 N C 0.121 175.653 175.510 0.037 0.000 1.416 208 N CA -0.912 52.147 53.050 0.015 0.000 0.799 208 N CB 0.478 38.978 38.487 0.021 0.000 1.554 208 N HN 0.393 nan 8.380 nan 0.000 0.541 209 E N -0.139 120.099 120.200 0.064 0.000 2.233 209 E HA -0.132 4.361 4.350 0.238 0.000 0.199 209 E C 1.052 177.697 176.600 0.075 0.000 1.004 209 E CA 1.498 57.949 56.400 0.085 0.000 0.819 209 E CB -0.578 29.161 29.700 0.065 0.000 0.738 209 E HN 0.584 nan 8.360 nan 0.000 0.478 210 L N 0.561 121.808 121.223 0.040 0.000 2.558 210 L HA 0.101 4.584 4.340 0.238 0.000 0.225 210 L C 0.436 177.294 176.870 -0.021 0.000 1.128 210 L CA -0.003 54.854 54.840 0.029 0.000 0.868 210 L CB -0.318 41.766 42.059 0.042 0.000 1.006 210 L HN -0.064 nan 8.230 nan 0.000 0.454 211 T N 0.160 114.658 114.554 -0.093 0.000 2.902 211 T HA 0.041 4.533 4.350 0.238 0.000 0.301 211 T C 1.241 175.847 174.700 -0.157 0.000 1.012 211 T CA -0.002 61.929 62.100 -0.282 0.000 1.151 211 T CB 2.019 70.475 68.868 -0.687 0.000 0.946 211 T HN -0.103 nan 8.240 nan 0.000 0.542 212 V N 3.341 123.191 119.914 -0.106 0.000 2.922 212 V HA 0.352 4.615 4.120 0.238 0.000 0.242 212 V C 0.176 176.432 176.094 0.269 0.000 1.094 212 V CA 0.286 62.644 62.300 0.097 0.000 1.106 212 V CB 0.024 31.865 31.823 0.030 0.000 0.799 212 V HN 0.657 nan 8.190 nan 0.000 0.474 213 L N -0.572 120.704 121.223 0.088 0.000 2.591 213 L HA 0.656 5.139 4.340 0.238 0.000 0.257 213 L C -1.617 175.274 176.870 0.035 0.000 0.935 213 L CA -0.276 54.675 54.840 0.185 0.000 0.873 213 L CB 2.212 44.403 42.059 0.221 0.000 1.397 213 L HN -0.179 nan 8.230 nan 0.000 0.414 214 V N 4.976 124.974 119.914 0.139 0.000 2.531 214 V HA 0.568 4.831 4.120 0.238 0.000 0.301 214 V C -0.711 175.461 176.094 0.130 0.000 1.034 214 V CA -0.434 61.930 62.300 0.106 0.000 0.865 214 V CB 1.654 33.571 31.823 0.156 0.000 0.995 214 V HN 0.614 nan 8.190 nan 0.000 0.424 215 L N 5.889 127.119 121.223 0.013 0.000 2.295 215 L HA 0.758 5.241 4.340 0.238 0.000 0.285 215 L C -0.290 176.567 176.870 -0.021 0.000 1.035 215 L CA -0.237 54.567 54.840 -0.061 0.000 0.806 215 L CB 1.760 43.723 42.059 -0.160 0.000 1.214 215 L HN 0.381 nan 8.230 nan 0.000 0.426 216 V N 2.500 122.407 119.914 -0.012 0.000 2.789 216 V HA 0.567 4.830 4.120 0.238 0.000 0.311 216 V C -0.640 175.506 176.094 0.087 0.000 1.073 216 V CA -0.753 61.606 62.300 0.098 0.000 0.921 216 V CB 2.131 34.141 31.823 0.311 0.000 1.009 216 V HN 0.862 nan 8.190 nan 0.000 0.426 217 N N 1.875 120.644 118.700 0.115 0.000 2.238 217 N HA 0.662 5.545 4.740 0.238 0.000 0.302 217 N C -1.112 174.490 175.510 0.152 0.000 1.072 217 N CA -0.100 53.011 53.050 0.103 0.000 0.792 217 N CB 2.848 41.346 38.487 0.018 0.000 1.425 217 N HN 0.865 nan 8.380 nan 0.000 0.478 218 T N 0.279 114.907 114.554 0.123 0.000 2.912 218 T HA 0.669 5.162 4.350 0.238 0.000 0.299 218 T C -0.397 174.332 174.700 0.048 0.000 1.052 218 T CA -0.650 61.496 62.100 0.077 0.000 0.996 218 T CB 1.084 69.936 68.868 -0.027 0.000 1.070 218 T HN 0.391 nan 8.240 nan 0.000 0.465 219 I N 2.348 122.989 120.570 0.118 0.000 2.619 219 I HA 0.545 4.858 4.170 0.238 0.000 0.292 219 I C -1.670 174.637 176.117 0.317 0.000 1.100 219 I CA -1.154 60.233 61.300 0.144 0.000 1.043 219 I CB 2.508 40.585 38.000 0.128 0.000 1.239 219 I HN 0.800 nan 8.210 nan 0.000 0.420 220 Y N 6.919 127.324 120.300 0.175 0.000 2.406 220 Y HA 0.645 5.340 4.550 0.241 0.000 0.340 220 Y C -1.857 174.219 175.900 0.294 0.000 0.975 220 Y CA -1.054 57.167 58.100 0.202 0.000 1.056 220 Y CB 1.765 40.241 38.460 0.026 0.000 1.210 220 Y HN 0.438 nan 8.280 nan 0.000 0.448 221 F N 6.040 125.576 119.950 -0.689 0.000 2.588 221 F HA 0.733 5.406 4.527 0.243 0.000 0.310 221 F C -1.830 173.542 175.800 -0.712 0.000 1.082 221 F CA -0.818 56.912 58.000 -0.450 0.000 0.929 221 F CB 1.780 40.755 39.000 -0.041 0.000 1.254 221 F HN 0.485 nan 8.300 nan 0.000 0.455 222 K N 3.655 122.980 120.400 -1.792 0.000 2.589 222 K HA 0.652 5.115 4.320 0.238 0.000 0.253 222 K C -1.519 174.223 176.600 -1.429 0.000 0.974 222 K CA -0.572 54.855 56.287 -1.434 0.000 0.835 222 K CB 1.682 33.839 32.500 -0.571 0.000 1.272 222 K HN 1.037 nan 8.250 nan 0.000 0.444 223 G N 3.149 111.133 108.800 -1.360 0.000 2.660 223 G HA2 0.604 4.706 3.960 0.238 0.000 0.294 223 G HA3 0.604 4.706 3.960 0.238 0.000 0.294 223 G C -1.539 173.186 174.900 -0.290 0.000 1.369 223 G CA -0.841 43.827 45.100 -0.720 0.000 0.912 223 G HN 0.421 nan 8.290 nan 0.000 0.479 224 L N 0.206 121.442 121.223 0.022 0.000 2.322 224 L HA 0.436 4.919 4.340 0.238 0.000 0.279 224 L C -0.247 176.824 176.870 0.336 0.000 1.036 224 L CA -0.838 54.058 54.840 0.094 0.000 0.807 224 L CB 1.775 43.891 42.059 0.096 0.000 1.226 224 L HN 0.596 nan 8.230 nan 0.000 0.433 225 W N 2.443 123.937 121.300 0.324 0.000 2.223 225 W HA 0.018 4.818 4.660 0.233 0.000 0.334 225 W C 1.419 178.012 176.519 0.124 0.000 1.334 225 W CA -0.307 57.152 57.345 0.191 0.000 1.246 225 W CB 0.666 30.222 29.460 0.159 0.000 1.184 225 W HN 0.579 nan 8.180 nan 0.000 0.563 226 K N 0.974 121.603 120.400 0.382 0.000 2.439 226 K HA -0.040 4.423 4.320 0.238 0.000 0.197 226 K C -0.069 176.595 176.600 0.107 0.000 1.041 226 K CA 0.888 57.296 56.287 0.201 0.000 0.970 226 K CB 0.086 32.671 32.500 0.141 0.000 0.773 226 K HN 0.289 nan 8.250 nan 0.000 0.479 227 S N 0.537 116.303 115.700 0.110 0.000 2.381 227 S HA 0.239 4.851 4.470 0.238 0.000 0.193 227 S C -0.629 173.930 174.600 -0.067 0.000 1.287 227 S CA -0.812 57.367 58.200 -0.035 0.000 1.199 227 S CB 1.443 64.535 63.200 -0.179 0.000 1.214 227 S HN 0.343 nan 8.310 nan 0.000 0.444 228 K N 1.413 121.868 120.400 0.093 0.000 2.234 228 K HA 0.661 5.124 4.320 0.238 0.000 0.251 228 K C -0.431 176.150 176.600 -0.032 0.000 1.011 228 K CA 0.289 56.700 56.287 0.207 0.000 0.889 228 K CB 0.010 32.687 32.500 0.295 0.000 1.011 228 K HN 0.409 nan 8.250 nan 0.000 0.505 229 F N -0.181 119.838 119.950 0.115 0.000 2.432 229 F HA 0.417 5.084 4.527 0.233 0.000 0.329 229 F C 0.825 176.678 175.800 0.088 0.000 1.076 229 F CA -0.600 57.430 58.000 0.050 0.000 1.018 229 F CB 2.299 41.327 39.000 0.046 0.000 1.201 229 F HN 0.353 nan 8.300 nan 0.000 0.489 230 S N 4.034 119.884 115.700 0.251 0.000 2.452 230 S HA 0.199 4.812 4.470 0.238 0.000 0.284 230 S C -1.613 173.104 174.600 0.194 0.000 1.171 230 S CA -1.052 57.259 58.200 0.184 0.000 1.064 230 S CB 1.181 64.465 63.200 0.139 0.000 0.967 230 S HN 0.413 nan 8.310 nan 0.000 0.484 231 P HA -0.155 nan 4.420 nan 0.000 0.228 231 P C 0.853 178.216 177.300 0.105 0.000 1.151 231 P CA 0.798 63.972 63.100 0.123 0.000 0.770 231 P CB 0.059 31.818 31.700 0.099 0.000 0.786 232 E N -0.559 119.706 120.200 0.109 0.000 2.482 232 E HA -0.054 4.438 4.350 0.238 0.000 0.196 232 E C 1.128 177.792 176.600 0.107 0.000 1.047 232 E CA 0.359 56.813 56.400 0.091 0.000 0.869 232 E CB -0.555 29.195 29.700 0.083 0.000 0.836 232 E HN 0.205 nan 8.360 nan 0.000 0.520 233 N N 0.774 119.567 118.700 0.155 0.000 2.282 233 N HA 0.023 4.905 4.740 0.238 0.000 0.185 233 N C -0.176 175.435 175.510 0.170 0.000 1.099 233 N CA 0.278 53.448 53.050 0.201 0.000 0.878 233 N CB 0.730 39.453 38.487 0.393 0.000 0.993 233 N HN 0.018 nan 8.380 nan 0.000 0.481 234 T N 1.841 116.474 114.554 0.131 0.000 2.916 234 T HA 0.252 4.745 4.350 0.238 0.000 0.303 234 T C 0.439 175.164 174.700 0.041 0.000 1.025 234 T CA 0.320 62.468 62.100 0.079 0.000 1.142 234 T CB 0.973 69.874 68.868 0.055 0.000 0.947 234 T HN 0.042 nan 8.240 nan 0.000 0.544 235 R N 0.803 121.310 120.500 0.011 0.000 2.725 235 R HA 0.439 4.921 4.340 0.238 0.000 0.277 235 R C -0.781 175.511 176.300 -0.015 0.000 0.987 235 R CA -0.914 55.182 56.100 -0.006 0.000 0.901 235 R CB 1.702 31.988 30.300 -0.024 0.000 1.207 235 R HN 0.321 nan 8.270 nan 0.000 0.463 236 K N 1.626 122.022 120.400 -0.007 0.000 2.218 236 K HA 0.287 4.750 4.320 0.238 0.000 0.276 236 K C -0.428 176.172 176.600 -0.000 0.000 1.022 236 K CA -0.612 55.674 56.287 -0.002 0.000 0.946 236 K CB 1.156 33.658 32.500 0.003 0.000 1.000 236 K HN 0.818 nan 8.250 nan 0.000 0.468 237 E N 0.633 120.841 120.200 0.013 0.000 2.363 237 E HA 0.305 4.798 4.350 0.238 0.000 0.281 237 E C -1.029 175.606 176.600 0.058 0.000 0.953 237 E CA -0.851 55.568 56.400 0.031 0.000 0.778 237 E CB 0.831 30.544 29.700 0.022 0.000 1.220 237 E HN 0.335 nan 8.360 nan 0.000 0.431 238 L N 2.179 123.442 121.223 0.066 0.000 2.461 238 L HA 0.337 4.820 4.340 0.238 0.000 0.272 238 L C -0.328 176.601 176.870 0.098 0.000 1.197 238 L CA -0.351 54.503 54.840 0.024 0.000 0.836 238 L CB 0.168 42.206 42.059 -0.035 0.000 1.105 238 L HN 0.531 nan 8.230 nan 0.000 0.477 239 F N 2.341 122.205 119.950 -0.143 0.000 2.493 239 F HA 0.409 5.075 4.527 0.232 0.000 0.329 239 F C -0.919 174.780 175.800 -0.169 0.000 1.126 239 F CA -0.659 57.312 58.000 -0.050 0.000 0.937 239 F CB 0.891 39.867 39.000 -0.041 0.000 1.146 239 F HN 0.143 nan 8.300 nan 0.000 0.442 240 Y N 5.660 125.655 120.300 -0.508 0.000 2.454 240 Y HA 0.342 5.033 4.550 0.236 0.000 0.345 240 Y C 0.334 176.033 175.900 -0.334 0.000 0.970 240 Y CA -0.678 57.240 58.100 -0.303 0.000 1.204 240 Y CB 0.709 39.036 38.460 -0.221 0.000 1.122 240 Y HN 0.413 nan 8.280 nan 0.000 0.514 241 K N 1.672 122.085 120.400 0.021 0.000 2.355 241 K HA 0.215 4.678 4.320 0.238 0.000 0.270 241 K C 1.104 177.738 176.600 0.057 0.000 1.003 241 K CA 0.321 56.672 56.287 0.106 0.000 0.957 241 K CB 0.874 33.453 32.500 0.132 0.000 0.939 241 K HN 0.849 nan 8.250 nan 0.000 0.482 242 A N 2.983 125.835 122.820 0.053 0.000 1.958 242 A HA -0.270 4.193 4.320 0.238 0.000 0.221 242 A C 1.597 179.201 177.584 0.034 0.000 1.178 242 A CA 2.432 54.488 52.037 0.032 0.000 0.642 242 A CB -0.752 18.268 19.000 0.033 0.000 0.816 242 A HN 0.966 nan 8.150 nan 0.000 0.453 243 D N -2.984 117.442 120.400 0.042 0.000 2.350 243 D HA 0.266 5.049 4.640 0.238 0.000 0.216 243 D C 1.251 177.576 176.300 0.042 0.000 0.968 243 D CA 1.522 55.544 54.000 0.036 0.000 0.894 243 D CB -0.197 40.624 40.800 0.034 0.000 0.909 243 D HN 0.813 nan 8.370 nan 0.000 0.520 244 G N -1.243 107.594 108.800 0.061 0.000 2.391 244 G HA2 -0.143 3.960 3.960 0.238 0.000 0.204 244 G HA3 -0.143 3.960 3.960 0.238 0.000 0.204 244 G C 0.421 175.380 174.900 0.099 0.000 1.012 244 G CA 0.146 45.298 45.100 0.087 0.000 0.651 244 G HN 0.770 nan 8.290 nan 0.000 0.494 245 E N 0.785 121.014 120.200 0.047 0.000 2.373 245 E HA 0.676 5.169 4.350 0.238 0.000 0.267 245 E C 0.533 177.094 176.600 -0.066 0.000 1.032 245 E CA 0.572 56.974 56.400 0.003 0.000 0.889 245 E CB 0.781 30.485 29.700 0.006 0.000 0.984 245 E HN 1.884 nan 8.360 nan 0.000 0.425 246 S N -0.732 114.850 115.700 -0.197 0.000 2.664 246 S HA 0.774 5.386 4.470 0.238 0.000 0.304 246 S C 0.206 174.693 174.600 -0.187 0.000 1.099 246 S CA -0.084 57.879 58.200 -0.395 0.000 1.003 246 S CB 0.709 63.286 63.200 -1.039 0.000 1.092 246 S HN 1.568 nan 8.310 nan 0.000 0.525 247 c N -0.220 118.313 118.600 -0.112 0.000 3.171 247 c HA 0.869 5.582 4.570 0.238 0.000 0.308 247 c C 0.120 174.197 174.090 -0.021 0.000 1.334 247 c CA -0.856 55.448 56.329 -0.042 0.000 1.473 247 c CB 0.818 43.326 42.510 -0.003 0.000 1.866 247 c HN 0.898 nan 8.230 nan 0.000 0.465 248 S N 0.623 116.311 115.700 -0.021 0.000 2.537 248 S HA 0.711 5.324 4.470 0.238 0.000 0.275 248 S C -0.035 174.564 174.600 -0.002 0.000 1.272 248 S CA 0.256 58.452 58.200 -0.006 0.000 1.050 248 S CB 0.271 63.465 63.200 -0.010 0.000 0.961 248 S HN 1.793 nan 8.310 nan 0.000 0.496 249 A N 3.679 126.507 122.820 0.015 0.000 2.435 249 A HA 0.732 5.194 4.320 0.238 0.000 0.304 249 A C -0.512 177.075 177.584 0.004 0.000 1.064 249 A CA -0.722 51.315 52.037 -0.000 0.000 0.727 249 A CB 1.666 20.668 19.000 0.003 0.000 1.284 249 A HN 0.709 nan 8.150 nan 0.000 0.415 250 S N 1.234 116.935 115.700 0.001 0.000 2.438 250 S HA 0.519 5.132 4.470 0.238 0.000 0.293 250 S C -0.377 174.215 174.600 -0.013 0.000 1.141 250 S CA -0.231 57.968 58.200 -0.001 0.000 1.080 250 S CB 0.711 63.914 63.200 0.005 0.000 0.978 250 S HN 0.651 nan 8.310 nan 0.000 0.479 251 M N 4.456 124.038 119.600 -0.031 0.000 2.149 251 M HA 0.482 5.105 4.480 0.238 0.000 0.342 251 M C -0.831 175.444 176.300 -0.042 0.000 1.068 251 M CA -0.290 54.974 55.300 -0.060 0.000 0.991 251 M CB 0.664 33.197 32.600 -0.113 0.000 1.596 251 M HN 0.581 nan 8.290 nan 0.000 0.439 252 M N 4.046 123.603 119.600 -0.072 0.000 2.274 252 M HA 0.341 4.964 4.480 0.238 0.000 0.344 252 M C -1.170 175.269 176.300 0.232 0.000 1.161 252 M CA -0.494 54.778 55.300 -0.047 0.000 1.126 252 M CB 1.155 33.435 32.600 -0.534 0.000 1.522 252 M HN 0.669 nan 8.290 nan 0.000 0.461 253 Y N 1.768 122.235 120.300 0.277 0.000 2.499 253 Y HA 0.614 5.307 4.550 0.237 0.000 0.347 253 Y C -1.035 175.077 175.900 0.353 0.000 0.987 253 Y CA -0.599 57.730 58.100 0.382 0.000 1.044 253 Y CB 1.671 40.309 38.460 0.296 0.000 1.245 253 Y HN 0.751 nan 8.280 nan 0.000 0.461 254 Q N 3.690 123.029 119.800 -0.769 0.000 2.594 254 Q HA 0.300 4.783 4.340 0.238 0.000 0.278 254 Q C -2.278 173.271 176.000 -0.753 0.000 0.961 254 Q CA -0.786 54.567 55.803 -0.751 0.000 0.844 254 Q CB 2.104 30.495 28.738 -0.578 0.000 1.475 254 Q HN 0.869 nan 8.270 nan 0.000 0.389 255 E N 1.158 121.065 120.200 -0.487 0.000 2.260 255 E HA 0.730 5.222 4.350 0.238 0.000 0.266 255 E C -1.256 175.274 176.600 -0.116 0.000 0.887 255 E CA -0.439 55.812 56.400 -0.249 0.000 0.777 255 E CB 1.728 31.322 29.700 -0.177 0.000 1.205 255 E HN 0.813 nan 8.360 nan 0.000 0.414 256 G N 2.729 111.526 108.800 -0.004 0.000 2.489 256 G HA2 0.242 4.345 3.960 0.238 0.000 0.305 256 G HA3 0.242 4.345 3.960 0.238 0.000 0.305 256 G C -1.491 173.308 174.900 -0.169 0.000 1.311 256 G CA -0.867 44.150 45.100 -0.138 0.000 0.813 256 G HN 0.296 nan 8.290 nan 0.000 0.480 257 K N -0.110 120.050 120.400 -0.400 0.000 2.174 257 K HA 0.722 5.185 4.320 0.238 0.000 0.275 257 K C -1.496 174.747 176.600 -0.595 0.000 1.015 257 K CA -0.194 55.913 56.287 -0.300 0.000 0.933 257 K CB 1.292 33.655 32.500 -0.227 0.000 1.025 257 K HN 0.327 nan 8.250 nan 0.000 0.463 258 F N 0.071 119.975 119.950 -0.077 0.000 2.628 258 F HA 0.294 4.966 4.527 0.241 0.000 0.309 258 F C 0.257 176.067 175.800 0.017 0.000 1.108 258 F CA -0.960 57.007 58.000 -0.055 0.000 0.971 258 F CB 1.603 40.546 39.000 -0.095 0.000 1.279 258 F HN 0.199 nan 8.300 nan 0.000 0.441 259 R N 2.206 122.836 120.500 0.218 0.000 2.421 259 R HA 0.249 4.732 4.340 0.238 0.000 0.305 259 R C -1.386 175.054 176.300 0.232 0.000 1.039 259 R CA 0.125 56.327 56.100 0.170 0.000 1.003 259 R CB 0.326 30.698 30.300 0.120 0.000 0.959 259 R HN 0.676 nan 8.270 nan 0.000 0.427 260 Y N 1.663 121.992 120.300 0.049 0.000 2.597 260 Y HA 0.562 5.260 4.550 0.247 0.000 0.340 260 Y C -1.407 174.494 175.900 0.002 0.000 1.097 260 Y CA -1.320 56.789 58.100 0.015 0.000 1.037 260 Y CB 1.920 40.384 38.460 0.007 0.000 1.305 260 Y HN 0.483 nan 8.280 nan 0.000 0.463 261 R N 3.086 122.992 120.500 -0.990 0.000 2.563 261 R HA 0.362 4.845 4.340 0.238 0.000 0.262 261 R C -2.162 173.626 176.300 -0.852 0.000 1.128 261 R CA -0.702 54.939 56.100 -0.765 0.000 0.969 261 R CB 1.339 31.464 30.300 -0.292 0.000 1.251 261 R HN 0.867 nan 8.270 nan 0.000 0.442 262 R N 3.637 123.789 120.500 -0.580 0.000 2.221 262 R HA 0.592 5.075 4.340 0.238 0.000 0.327 262 R C -0.681 175.500 176.300 -0.199 0.000 1.033 262 R CA -0.421 55.482 56.100 -0.329 0.000 0.887 262 R CB 0.800 31.023 30.300 -0.128 0.000 1.057 262 R HN 0.426 nan 8.270 nan 0.000 0.455 263 V N 2.698 122.494 119.914 -0.197 0.000 3.485 263 V HA 0.521 4.783 4.120 0.238 0.000 0.293 263 V C 0.212 176.289 176.094 -0.028 0.000 1.253 263 V CA -0.743 61.502 62.300 -0.091 0.000 0.991 263 V CB 1.208 32.953 31.823 -0.131 0.000 1.252 263 V HN 0.961 nan 8.190 nan 0.000 0.473 264 A N -0.392 122.460 122.820 0.053 0.000 2.587 264 A HA 0.213 4.675 4.320 0.238 0.000 0.233 264 A C 0.868 178.470 177.584 0.029 0.000 1.049 264 A CA 0.818 52.892 52.037 0.062 0.000 0.754 264 A CB -0.744 18.327 19.000 0.119 0.000 0.977 264 A HN 1.077 nan 8.150 nan 0.000 0.509 265 E N -0.533 119.681 120.200 0.024 0.000 3.253 265 E HA -0.236 4.257 4.350 0.238 0.000 0.284 265 E C 0.967 177.565 176.600 -0.003 0.000 0.958 265 E CA 2.520 58.929 56.400 0.015 0.000 0.917 265 E CB -1.626 28.089 29.700 0.025 0.000 1.466 265 E HN 2.467 nan 8.360 nan 0.000 0.455 266 G N -1.116 107.674 108.800 -0.017 0.000 2.137 266 G HA2 -0.318 3.785 3.960 0.238 0.000 0.237 266 G HA3 -0.318 3.785 3.960 0.238 0.000 0.237 266 G C 0.305 175.171 174.900 -0.056 0.000 1.002 266 G CA 0.313 45.397 45.100 -0.028 0.000 0.702 266 G HN 0.345 nan 8.290 nan 0.000 0.515 267 T N 1.189 115.685 114.554 -0.097 0.000 2.870 267 T HA 0.439 4.931 4.350 0.238 0.000 0.300 267 T C 0.512 175.073 174.700 -0.232 0.000 0.989 267 T CA 0.269 62.271 62.100 -0.163 0.000 1.139 267 T CB 1.103 69.824 68.868 -0.245 0.000 0.920 267 T HN 0.425 nan 8.240 nan 0.000 0.537 268 Q N 1.767 121.457 119.800 -0.184 0.000 2.257 268 Q HA 0.547 5.030 4.340 0.238 0.000 0.255 268 Q C -0.954 174.897 176.000 -0.248 0.000 0.920 268 Q CA -0.707 54.986 55.803 -0.183 0.000 0.927 268 Q CB 1.720 30.484 28.738 0.043 0.000 1.229 268 Q HN 0.372 nan 8.270 nan 0.000 0.433 269 V N 4.029 123.735 119.914 -0.346 0.000 2.407 269 V HA 0.407 4.670 4.120 0.238 0.000 0.291 269 V C -0.995 175.037 176.094 -0.103 0.000 1.018 269 V CA -0.750 61.393 62.300 -0.261 0.000 0.842 269 V CB 1.480 33.092 31.823 -0.352 0.000 0.996 269 V HN 0.544 nan 8.190 nan 0.000 0.426 270 L N 4.240 125.476 121.223 0.021 0.000 2.362 270 L HA 0.695 5.178 4.340 0.238 0.000 0.275 270 L C -0.471 176.441 176.870 0.069 0.000 0.998 270 L CA -0.037 54.858 54.840 0.091 0.000 0.820 270 L CB 1.925 44.014 42.059 0.051 0.000 1.270 270 L HN 0.768 nan 8.230 nan 0.000 0.415 271 E N 4.685 124.941 120.200 0.094 0.000 2.171 271 E HA 0.548 5.040 4.350 0.238 0.000 0.271 271 E C -1.701 174.966 176.600 0.111 0.000 0.916 271 E CA -0.641 55.826 56.400 0.111 0.000 0.774 271 E CB 1.258 31.035 29.700 0.127 0.000 1.128 271 E HN 0.728 nan 8.360 nan 0.000 0.403 272 L N 7.027 128.295 121.223 0.074 0.000 2.342 272 L HA 0.468 4.951 4.340 0.238 0.000 0.276 272 L C -2.245 174.656 176.870 0.052 0.000 0.997 272 L CA -2.060 52.789 54.840 0.014 0.000 0.838 272 L CB 1.661 43.560 42.059 -0.266 0.000 1.224 272 L HN 0.422 nan 8.230 nan 0.000 0.416 273 P HA 0.273 nan 4.420 nan 0.000 0.282 273 P C -1.017 176.349 177.300 0.109 0.000 1.249 273 P CA -0.302 62.864 63.100 0.110 0.000 0.806 273 P CB 1.128 32.907 31.700 0.132 0.000 0.984 274 F N 0.843 121.007 119.950 0.357 0.000 2.403 274 F HA 0.338 5.006 4.527 0.235 0.000 0.326 274 F C 1.520 177.457 175.800 0.228 0.000 1.081 274 F CA -0.608 57.586 58.000 0.322 0.000 1.041 274 F CB 0.781 39.968 39.000 0.312 0.000 1.234 274 F HN 0.071 nan 8.300 nan 0.000 0.503 275 K N 1.085 121.720 120.400 0.392 0.000 2.472 275 K HA 0.292 4.754 4.320 0.238 0.000 0.280 275 K C 0.785 177.514 176.600 0.215 0.000 1.028 275 K CA 1.058 57.491 56.287 0.243 0.000 1.045 275 K CB -0.153 32.459 32.500 0.185 0.000 0.902 275 K HN 0.954 nan 8.250 nan 0.000 0.478 276 G N 2.993 111.895 108.800 0.169 0.000 2.253 276 G HA2 -0.248 3.855 3.960 0.238 0.000 0.209 276 G HA3 -0.248 3.855 3.960 0.238 0.000 0.209 276 G C 0.159 175.147 174.900 0.147 0.000 0.997 276 G CA -0.003 45.184 45.100 0.145 0.000 0.640 276 G HN 0.848 nan 8.290 nan 0.000 0.496 277 D N 0.712 121.219 120.400 0.179 0.000 2.955 277 D HA -0.165 4.618 4.640 0.238 0.000 0.226 277 D C 1.163 177.560 176.300 0.162 0.000 1.178 277 D CA 1.666 55.766 54.000 0.166 0.000 0.808 277 D CB -0.373 40.497 40.800 0.116 0.000 1.099 277 D HN 0.758 nan 8.370 nan 0.000 0.421 278 D N -0.222 120.286 120.400 0.179 0.000 2.379 278 D HA 0.053 4.835 4.640 0.238 0.000 0.208 278 D C 0.577 176.983 176.300 0.175 0.000 1.065 278 D CA 0.174 54.266 54.000 0.154 0.000 0.848 278 D CB 0.502 41.382 40.800 0.134 0.000 0.949 278 D HN 0.331 nan 8.370 nan 0.000 0.509 279 I N 0.987 121.708 120.570 0.251 0.000 2.607 279 I HA 0.250 4.562 4.170 0.238 0.000 0.290 279 I C -0.728 175.678 176.117 0.481 0.000 1.129 279 I CA -0.548 60.925 61.300 0.288 0.000 1.042 279 I CB 2.368 40.498 38.000 0.217 0.000 1.242 279 I HN -0.105 nan 8.210 nan 0.000 0.421 280 T N 2.950 117.740 114.554 0.393 0.000 2.883 280 T HA 0.662 5.155 4.350 0.238 0.000 0.296 280 T C -0.746 174.187 174.700 0.388 0.000 1.117 280 T CA -0.859 61.454 62.100 0.356 0.000 1.006 280 T CB 2.353 71.352 68.868 0.219 0.000 1.191 280 T HN 0.578 nan 8.240 nan 0.000 0.508 281 M N 2.648 122.445 119.600 0.328 0.000 2.227 281 M HA 0.665 5.288 4.480 0.238 0.000 0.335 281 M C -1.853 174.631 176.300 0.307 0.000 1.053 281 M CA -0.741 54.806 55.300 0.411 0.000 0.973 281 M CB 1.259 34.183 32.600 0.541 0.000 1.623 281 M HN 0.586 nan 8.290 nan 0.000 0.434 282 V N 6.495 126.615 119.914 0.343 0.000 2.459 282 V HA 0.507 4.769 4.120 0.238 0.000 0.295 282 V C -0.434 175.877 176.094 0.363 0.000 1.029 282 V CA -0.690 61.779 62.300 0.282 0.000 0.874 282 V CB 1.731 33.676 31.823 0.204 0.000 0.985 282 V HN 0.819 nan 8.190 nan 0.000 0.438 283 L N 5.825 127.201 121.223 0.256 0.000 2.322 283 L HA 0.638 5.120 4.340 0.238 0.000 0.281 283 L C -0.715 176.263 176.870 0.179 0.000 1.014 283 L CA -0.457 54.551 54.840 0.281 0.000 0.815 283 L CB 1.959 44.132 42.059 0.190 0.000 1.247 283 L HN 0.466 nan 8.230 nan 0.000 0.421 284 I N 4.659 125.361 120.570 0.220 0.000 2.411 284 I HA 0.307 4.620 4.170 0.238 0.000 0.284 284 I C -1.086 175.083 176.117 0.085 0.000 1.012 284 I CA -0.568 60.766 61.300 0.056 0.000 1.119 284 I CB 1.717 39.749 38.000 0.053 0.000 1.261 284 I HN 0.325 nan 8.210 nan 0.000 0.448 285 L N 9.093 130.321 121.223 0.007 0.000 2.298 285 L HA 0.529 5.011 4.340 0.238 0.000 0.284 285 L C -2.184 174.680 176.870 -0.010 0.000 1.013 285 L CA -1.685 53.176 54.840 0.035 0.000 0.824 285 L CB 0.761 42.819 42.059 -0.001 0.000 1.221 285 L HN 0.313 nan 8.230 nan 0.000 0.418 286 P HA 0.032 nan 4.420 nan 0.000 0.272 286 P C -0.553 176.749 177.300 0.003 0.000 1.230 286 P CA -0.662 62.440 63.100 0.003 0.000 0.788 286 P CB 0.858 32.578 31.700 0.034 0.000 0.949 287 K N 3.183 123.580 120.400 -0.005 0.000 2.524 287 K HA -0.032 4.431 4.320 0.238 0.000 0.279 287 K C -1.485 175.119 176.600 0.006 0.000 0.993 287 K CA -0.681 55.605 56.287 -0.001 0.000 1.030 287 K CB -0.276 32.223 32.500 -0.002 0.000 0.891 287 K HN 0.219 nan 8.250 nan 0.000 0.488 288 P HA -0.260 nan 4.420 nan 0.000 0.219 288 P C 0.067 177.368 177.300 0.002 0.000 1.159 288 P CA 2.274 65.377 63.100 0.004 0.000 0.944 288 P CB -0.041 31.658 31.700 -0.002 0.000 0.792 289 E N -0.176 120.024 120.200 -0.001 0.000 2.392 289 E HA 0.367 4.860 4.350 0.238 0.000 0.307 289 E C 0.032 176.634 176.600 0.003 0.000 1.505 289 E CA -0.285 56.114 56.400 -0.002 0.000 1.716 289 E CB -0.787 28.909 29.700 -0.006 0.000 1.450 289 E HN 0.070 nan 8.360 nan 0.000 0.484 290 K N -0.234 120.172 120.400 0.009 0.000 2.557 290 K HA 0.509 4.972 4.320 0.238 0.000 0.257 290 K C -0.641 175.973 176.600 0.023 0.000 0.933 290 K CA -0.009 56.287 56.287 0.015 0.000 0.820 290 K CB 1.541 34.050 32.500 0.015 0.000 1.330 290 K HN 0.578 nan 8.250 nan 0.000 0.432 291 S N 1.979 117.694 115.700 0.024 0.000 2.585 291 S HA 0.273 4.886 4.470 0.238 0.000 0.273 291 S C 0.918 175.544 174.600 0.043 0.000 1.339 291 S CA -0.324 57.894 58.200 0.030 0.000 1.028 291 S CB 0.689 63.903 63.200 0.022 0.000 0.906 291 S HN 0.666 nan 8.310 nan 0.000 0.528 292 L N 4.707 125.963 121.223 0.054 0.000 2.554 292 L HA 0.347 4.830 4.340 0.238 0.000 0.226 292 L C 2.181 179.099 176.870 0.080 0.000 1.137 292 L CA 1.464 56.348 54.840 0.075 0.000 0.863 292 L CB -1.167 40.945 42.059 0.088 0.000 0.985 292 L HN 0.876 nan 8.230 nan 0.000 0.451 293 A N -0.555 122.297 122.820 0.054 0.000 1.908 293 A HA -0.226 4.237 4.320 0.238 0.000 0.218 293 A C 2.380 179.996 177.584 0.053 0.000 1.181 293 A CA 1.692 53.754 52.037 0.042 0.000 0.627 293 A CB -0.492 18.518 19.000 0.016 0.000 0.818 293 A HN 0.310 nan 8.150 nan 0.000 0.445 294 K N -0.096 120.338 120.400 0.057 0.000 2.009 294 K HA -0.111 4.352 4.320 0.238 0.000 0.210 294 K C 2.029 178.692 176.600 0.105 0.000 1.049 294 K CA 1.776 58.102 56.287 0.065 0.000 0.929 294 K CB -0.819 31.718 32.500 0.061 0.000 0.714 294 K HN 0.279 nan 8.250 nan 0.000 0.440 295 V N 1.731 121.728 119.914 0.138 0.000 2.295 295 V HA -0.235 4.028 4.120 0.238 0.000 0.246 295 V C 2.222 178.452 176.094 0.226 0.000 1.049 295 V CA 1.961 64.394 62.300 0.223 0.000 1.024 295 V CB -0.426 31.524 31.823 0.212 0.000 0.648 295 V HN 0.424 nan 8.190 nan 0.000 0.447 296 E N 0.157 120.470 120.200 0.189 0.000 2.160 296 E HA -0.254 4.239 4.350 0.238 0.000 0.195 296 E C 2.424 179.106 176.600 0.137 0.000 0.991 296 E CA 1.719 58.246 56.400 0.211 0.000 0.810 296 E CB -0.246 29.568 29.700 0.191 0.000 0.742 296 E HN 0.725 nan 8.360 nan 0.000 0.466 297 K N 1.726 122.177 120.400 0.084 0.000 2.031 297 K HA -0.174 4.288 4.320 0.238 0.000 0.205 297 K C 1.714 178.335 176.600 0.036 0.000 1.049 297 K CA 1.583 57.891 56.287 0.034 0.000 0.939 297 K CB -0.929 31.580 32.500 0.014 0.000 0.717 297 K HN 0.439 nan 8.250 nan 0.000 0.438 298 E N 0.255 120.490 120.200 0.059 0.000 2.347 298 E HA -0.012 4.480 4.350 0.238 0.000 0.196 298 E C 0.661 177.257 176.600 -0.007 0.000 1.008 298 E CA -0.125 56.290 56.400 0.025 0.000 0.852 298 E CB -0.564 29.165 29.700 0.047 0.000 0.783 298 E HN 0.298 nan 8.360 nan 0.000 0.505 299 L N 2.914 124.172 121.223 0.059 0.000 2.700 299 L HA 0.014 4.496 4.340 0.238 0.000 0.272 299 L C -0.231 176.639 176.870 -0.001 0.000 1.176 299 L CA 1.099 55.970 54.840 0.052 0.000 0.961 299 L CB 0.065 42.236 42.059 0.186 0.000 1.249 299 L HN 0.328 nan 8.230 nan 0.000 0.487 300 T N 1.671 116.176 114.554 -0.081 0.000 2.816 300 T HA 0.556 5.049 4.350 0.238 0.000 0.299 300 T C -2.266 172.368 174.700 -0.110 0.000 1.230 300 T CA -1.270 60.786 62.100 -0.074 0.000 1.007 300 T CB 1.626 70.441 68.868 -0.089 0.000 1.289 300 T HN 0.210 nan 8.240 nan 0.000 0.508 301 P HA 0.000 nan 4.420 nan 0.000 0.217 301 P C 1.044 178.256 177.300 -0.147 0.000 1.150 301 P CA 1.101 64.135 63.100 -0.110 0.000 0.832 301 P CB 0.087 31.729 31.700 -0.098 0.000 0.787 302 E N -0.760 119.354 120.200 -0.143 0.000 2.047 302 E HA -0.110 4.383 4.350 0.238 0.000 0.191 302 E C 2.035 178.494 176.600 -0.235 0.000 0.987 302 E CA 0.912 57.222 56.400 -0.150 0.000 0.799 302 E CB -1.341 28.290 29.700 -0.116 0.000 0.752 302 E HN -0.008 nan 8.360 nan 0.000 0.449 303 V N 1.229 120.950 119.914 -0.322 0.000 2.287 303 V HA -0.260 4.002 4.120 0.238 0.000 0.248 303 V C 2.304 177.928 176.094 -0.784 0.000 1.053 303 V CA 1.689 63.640 62.300 -0.582 0.000 1.027 303 V CB -0.530 30.894 31.823 -0.664 0.000 0.646 303 V HN 0.284 nan 8.190 nan 0.000 0.447 304 L N -0.277 120.614 121.223 -0.553 0.000 2.012 304 L HA -0.273 4.210 4.340 0.238 0.000 0.210 304 L C 2.690 179.439 176.870 -0.202 0.000 1.073 304 L CA 2.116 56.741 54.840 -0.358 0.000 0.748 304 L CB -0.297 41.599 42.059 -0.272 0.000 0.891 304 L HN 0.391 nan 8.230 nan 0.000 0.431 305 Q N 0.184 119.876 119.800 -0.181 0.000 2.170 305 Q HA -0.269 4.214 4.340 0.238 0.000 0.203 305 Q C 1.917 177.873 176.000 -0.073 0.000 0.976 305 Q CA 1.883 57.632 55.803 -0.091 0.000 0.858 305 Q CB -0.104 28.593 28.738 -0.068 0.000 0.907 305 Q HN 0.508 nan 8.270 nan 0.000 0.433 306 E N -1.197 118.905 120.200 -0.163 0.000 2.007 306 E HA -0.177 4.316 4.350 0.238 0.000 0.194 306 E C 1.492 178.094 176.600 0.003 0.000 0.999 306 E CA 1.272 57.596 56.400 -0.126 0.000 0.811 306 E CB -0.249 29.303 29.700 -0.246 0.000 0.762 306 E HN 0.477 nan 8.360 nan 0.000 0.450 307 W N 1.063 122.332 121.300 -0.052 0.000 2.302 307 W HA -0.222 4.514 4.660 0.127 0.000 0.320 307 W C 2.319 178.805 176.519 -0.056 0.000 1.241 307 W CA 0.722 58.030 57.345 -0.062 0.000 1.264 307 W CB -1.268 28.147 29.460 -0.076 0.000 1.154 307 W HN 0.226 nan 8.180 nan 0.000 0.483 308 L N -0.082 121.254 121.223 0.187 0.000 2.081 308 L HA -0.236 4.247 4.340 0.238 0.000 0.212 308 L C 1.879 178.797 176.870 0.079 0.000 1.080 308 L CA 1.518 56.419 54.840 0.101 0.000 0.754 308 L CB -0.805 41.289 42.059 0.058 0.000 0.893 308 L HN -0.084 nan 8.230 nan 0.000 0.433 309 D N -0.513 119.927 120.400 0.068 0.000 2.323 309 D HA -0.089 4.693 4.640 0.238 0.000 0.209 309 D C 1.680 178.012 176.300 0.053 0.000 0.973 309 D CA 0.661 54.693 54.000 0.053 0.000 0.874 309 D CB 0.153 40.976 40.800 0.040 0.000 0.930 309 D HN 0.468 nan 8.370 nan 0.000 0.521 310 E N 0.188 120.430 120.200 0.070 0.000 2.478 310 E HA 0.086 4.579 4.350 0.238 0.000 0.194 310 E C 0.452 177.073 176.600 0.034 0.000 1.045 310 E CA -0.104 56.330 56.400 0.058 0.000 0.868 310 E CB 0.510 30.263 29.700 0.088 0.000 0.885 310 E HN 0.233 nan 8.360 nan 0.000 0.505 311 L N 1.927 123.174 121.223 0.040 0.000 2.416 311 L HA 0.200 4.683 4.340 0.238 0.000 0.272 311 L C 0.506 177.402 176.870 0.044 0.000 1.161 311 L CA 0.043 54.900 54.840 0.028 0.000 0.845 311 L CB 0.356 42.444 42.059 0.049 0.000 1.119 311 L HN 0.057 nan 8.230 nan 0.000 0.464 312 E N 2.731 122.963 120.200 0.054 0.000 2.248 312 E HA 0.338 4.830 4.350 0.238 0.000 0.267 312 E C -0.651 176.004 176.600 0.092 0.000 0.877 312 E CA -0.867 55.570 56.400 0.063 0.000 0.759 312 E CB 1.751 31.483 29.700 0.053 0.000 1.182 312 E HN 0.687 nan 8.360 nan 0.000 0.418 313 E N 1.311 121.551 120.200 0.066 0.000 2.414 313 E HA 0.394 4.887 4.350 0.238 0.000 0.263 313 E C -0.187 176.451 176.600 0.062 0.000 1.000 313 E CA 0.217 56.651 56.400 0.058 0.000 0.914 313 E CB 0.416 30.123 29.700 0.012 0.000 0.948 313 E HN 0.620 nan 8.360 nan 0.000 0.444 314 M N 4.015 123.658 119.600 0.071 0.000 2.603 314 M HA 0.266 4.889 4.480 0.238 0.000 0.275 314 M C -1.591 174.716 176.300 0.010 0.000 1.226 314 M CA -0.831 54.498 55.300 0.049 0.000 0.870 314 M CB 1.793 34.455 32.600 0.104 0.000 1.716 314 M HN 0.460 nan 8.290 nan 0.000 0.482 315 M N 5.038 124.626 119.600 -0.021 0.000 2.162 315 M HA 0.527 5.149 4.480 0.238 0.000 0.356 315 M C -1.144 175.110 176.300 -0.076 0.000 1.303 315 M CA -0.154 55.122 55.300 -0.040 0.000 1.116 315 M CB 0.034 32.608 32.600 -0.043 0.000 1.632 315 M HN 0.681 nan 8.290 nan 0.000 0.469 316 L N 1.612 122.791 121.223 -0.072 0.000 2.622 316 L HA 0.725 5.207 4.340 0.238 0.000 0.258 316 L C -1.373 175.399 176.870 -0.163 0.000 0.996 316 L CA -1.152 53.583 54.840 -0.175 0.000 0.858 316 L CB 1.808 43.653 42.059 -0.356 0.000 1.449 316 L HN 0.189 nan 8.230 nan 0.000 0.411 317 V N 2.173 121.959 119.914 -0.215 0.000 2.407 317 V HA 0.423 4.686 4.120 0.238 0.000 0.278 317 V C 0.116 176.001 176.094 -0.348 0.000 1.037 317 V CA -0.355 61.794 62.300 -0.252 0.000 0.900 317 V CB 1.655 33.373 31.823 -0.175 0.000 0.983 317 V HN 0.516 nan 8.190 nan 0.000 0.459 318 V N 5.335 125.030 119.914 -0.365 0.000 2.427 318 V HA 0.422 4.685 4.120 0.238 0.000 0.286 318 V C -0.362 175.688 176.094 -0.072 0.000 1.034 318 V CA -0.556 61.562 62.300 -0.304 0.000 0.893 318 V CB 1.330 32.884 31.823 -0.448 0.000 0.982 318 V HN 0.882 nan 8.190 nan 0.000 0.452 319 H N 6.078 125.117 119.070 -0.052 0.000 2.887 319 H HA 0.635 5.333 4.556 0.236 0.000 0.300 319 H C -0.215 175.050 175.328 -0.104 0.000 1.038 319 H CA -0.554 55.488 56.048 -0.010 0.000 1.352 319 H CB 1.335 31.101 29.762 0.006 0.000 1.473 319 H HN 0.728 nan 8.280 nan 0.000 0.503 320 M N 2.878 122.471 119.600 -0.012 0.000 2.501 320 M HA 0.635 5.258 4.480 0.238 0.000 0.293 320 M C -3.205 173.028 176.300 -0.111 0.000 1.192 320 M CA -2.205 53.018 55.300 -0.129 0.000 0.886 320 M CB 3.280 35.799 32.600 -0.136 0.000 1.710 320 M HN 0.124 nan 8.290 nan 0.000 0.457 321 P HA 0.201 nan 4.420 nan 0.000 0.274 321 P C -1.280 176.144 177.300 0.206 0.000 1.246 321 P CA -0.255 62.872 63.100 0.045 0.000 0.795 321 P CB 0.735 32.439 31.700 0.006 0.000 1.006 322 R N 1.553 122.130 120.500 0.128 0.000 2.230 322 R HA 0.408 4.891 4.340 0.238 0.000 0.337 322 R C -0.418 175.976 176.300 0.155 0.000 1.063 322 R CA -0.263 55.886 56.100 0.082 0.000 0.935 322 R CB -0.350 29.957 30.300 0.011 0.000 1.121 322 R HN 0.476 nan 8.270 nan 0.000 0.486 323 F N -0.072 119.837 119.950 -0.069 0.000 2.726 323 F HA 0.655 5.325 4.527 0.238 0.000 0.324 323 F C -1.276 174.429 175.800 -0.159 0.000 1.140 323 F CA -1.598 56.339 58.000 -0.105 0.000 0.964 323 F CB 1.275 40.210 39.000 -0.108 0.000 1.399 323 F HN 0.135 nan 8.300 nan 0.000 0.491 324 R N 2.095 122.446 120.500 -0.249 0.000 2.515 324 R HA 0.707 5.190 4.340 0.238 0.000 0.278 324 R C -2.006 174.147 176.300 -0.246 0.000 1.107 324 R CA -0.623 55.201 56.100 -0.460 0.000 0.945 324 R CB 2.142 32.236 30.300 -0.343 0.000 1.219 324 R HN 0.997 nan 8.270 nan 0.000 0.434 325 I N -0.673 119.668 120.570 -0.380 0.000 2.934 325 I HA 0.663 4.976 4.170 0.238 0.000 0.306 325 I C -1.110 174.846 176.117 -0.269 0.000 1.110 325 I CA -0.945 60.232 61.300 -0.204 0.000 1.019 325 I CB 2.726 40.674 38.000 -0.086 0.000 1.227 325 I HN 0.575 nan 8.210 nan 0.000 0.434 326 E N 1.721 121.894 120.200 -0.046 0.000 2.356 326 E HA 0.493 4.985 4.350 0.238 0.000 0.275 326 E C -1.829 174.880 176.600 0.181 0.000 0.904 326 E CA -0.719 55.736 56.400 0.093 0.000 0.757 326 E CB 2.567 32.360 29.700 0.156 0.000 1.232 326 E HN 0.601 nan 8.360 nan 0.000 0.442 327 D N 0.400 120.973 120.400 0.289 0.000 2.857 327 D HA 0.615 5.398 4.640 0.238 0.000 0.227 327 D C -1.328 175.194 176.300 0.371 0.000 1.192 327 D CA -0.414 53.810 54.000 0.374 0.000 0.857 327 D CB 2.113 43.223 40.800 0.515 0.000 1.645 327 D HN 0.532 nan 8.370 nan 0.000 0.482 328 G N 1.069 110.108 108.800 0.398 0.000 2.719 328 G HA2 0.735 4.838 3.960 0.238 0.000 0.298 328 G HA3 0.735 4.838 3.960 0.238 0.000 0.298 328 G C -1.391 173.756 174.900 0.413 0.000 1.411 328 G CA -0.787 44.454 45.100 0.235 0.000 0.991 328 G HN 0.419 nan 8.290 nan 0.000 0.509 329 F N -0.866 119.256 119.950 0.286 0.000 2.878 329 F HA 0.771 5.441 4.527 0.239 0.000 0.322 329 F C -0.501 175.504 175.800 0.341 0.000 1.154 329 F CA -1.344 56.822 58.000 0.277 0.000 0.896 329 F CB 1.045 40.179 39.000 0.223 0.000 1.313 329 F HN 0.620 nan 8.300 nan 0.000 0.451 330 S N 0.316 116.320 115.700 0.507 0.000 2.610 330 S HA 0.624 5.237 4.470 0.238 0.000 0.273 330 S C 0.197 175.017 174.600 0.366 0.000 1.274 330 S CA -0.631 57.742 58.200 0.288 0.000 1.023 330 S CB 0.874 64.179 63.200 0.175 0.000 0.962 330 S HN 0.716 nan 8.310 nan 0.000 0.523 331 L N 3.663 125.017 121.223 0.219 0.000 2.609 331 L HA 0.288 4.771 4.340 0.238 0.000 0.230 331 L C 2.319 179.263 176.870 0.123 0.000 1.087 331 L CA -0.079 54.959 54.840 0.329 0.000 0.874 331 L CB -0.350 41.919 42.059 0.350 0.000 1.114 331 L HN 0.691 nan 8.230 nan 0.000 0.488 332 K N 1.501 121.833 120.400 -0.113 0.000 2.001 332 K HA -0.333 4.130 4.320 0.238 0.000 0.223 332 K C 1.973 178.340 176.600 -0.389 0.000 1.055 332 K CA 2.536 58.473 56.287 -0.584 0.000 0.965 332 K CB -0.133 31.975 32.500 -0.653 0.000 0.730 332 K HN 0.330 nan 8.250 nan 0.000 0.449 333 E N 0.051 120.128 120.200 -0.205 0.000 2.048 333 E HA -0.333 4.159 4.350 0.238 0.000 0.202 333 E C 2.204 178.747 176.600 -0.096 0.000 1.021 333 E CA 1.939 58.262 56.400 -0.130 0.000 0.825 333 E CB -0.134 29.522 29.700 -0.073 0.000 0.756 333 E HN 0.283 nan 8.360 nan 0.000 0.454 334 Q N 0.479 120.243 119.800 -0.060 0.000 2.045 334 Q HA -0.124 4.358 4.340 0.238 0.000 0.206 334 Q C 2.325 178.272 176.000 -0.088 0.000 0.991 334 Q CA 1.732 57.472 55.803 -0.104 0.000 0.851 334 Q CB -0.353 28.301 28.738 -0.141 0.000 0.911 334 Q HN 0.422 nan 8.270 nan 0.000 0.418 335 L N -0.144 121.117 121.223 0.064 0.000 2.131 335 L HA -0.246 4.237 4.340 0.238 0.000 0.210 335 L C 2.432 179.325 176.870 0.038 0.000 1.092 335 L CA 1.278 56.159 54.840 0.068 0.000 0.759 335 L CB -0.404 41.764 42.059 0.180 0.000 0.903 335 L HN 0.348 nan 8.230 nan 0.000 0.435 336 Q N -0.151 119.664 119.800 0.024 0.000 2.046 336 Q HA -0.216 4.267 4.340 0.238 0.000 0.200 336 Q C 1.829 177.813 176.000 -0.026 0.000 0.975 336 Q CA 1.649 57.476 55.803 0.039 0.000 0.836 336 Q CB -0.068 28.654 28.738 -0.026 0.000 0.896 336 Q HN 0.389 nan 8.270 nan 0.000 0.428 337 D N 0.161 120.512 120.400 -0.081 0.000 2.190 337 D HA -0.159 4.624 4.640 0.238 0.000 0.200 337 D C 1.392 177.593 176.300 -0.165 0.000 0.992 337 D CA 1.291 55.235 54.000 -0.094 0.000 0.854 337 D CB 0.041 40.791 40.800 -0.083 0.000 0.936 337 D HN 0.240 nan 8.370 nan 0.000 0.462 338 M N -1.759 117.669 119.600 -0.286 0.000 2.561 338 M HA 0.188 4.811 4.480 0.238 0.000 0.238 338 M C 1.240 177.467 176.300 -0.122 0.000 1.131 338 M CA 0.664 55.787 55.300 -0.295 0.000 1.046 338 M CB 0.916 33.277 32.600 -0.398 0.000 1.532 338 M HN 0.189 nan 8.290 nan 0.000 0.497 339 G N 0.223 108.989 108.800 -0.057 0.000 2.421 339 G HA2 -0.143 3.960 3.960 0.238 0.000 0.188 339 G HA3 -0.143 3.960 3.960 0.238 0.000 0.188 339 G C 0.031 174.955 174.900 0.039 0.000 1.001 339 G CA -0.710 44.386 45.100 -0.006 0.000 0.693 339 G HN 0.261 nan 8.290 nan 0.000 0.479 340 L N 2.561 123.822 121.223 0.064 0.000 2.536 340 L HA 0.317 4.800 4.340 0.238 0.000 0.282 340 L C 1.471 178.494 176.870 0.255 0.000 1.147 340 L CA 0.072 55.001 54.840 0.148 0.000 0.936 340 L CB 0.859 43.051 42.059 0.222 0.000 1.279 340 L HN 0.131 nan 8.230 nan 0.000 0.461 341 V N 2.314 122.332 119.914 0.174 0.000 2.870 341 V HA -0.053 4.209 4.120 0.238 0.000 0.232 341 V C 1.559 177.758 176.094 0.175 0.000 1.161 341 V CA 0.508 62.925 62.300 0.195 0.000 1.204 341 V CB 0.030 31.921 31.823 0.113 0.000 1.003 341 V HN 0.586 nan 8.190 nan 0.000 0.499 342 D N 0.774 121.234 120.400 0.100 0.000 2.133 342 D HA -0.229 4.553 4.640 0.238 0.000 0.192 342 D C 1.903 178.235 176.300 0.053 0.000 1.001 342 D CA 1.558 55.602 54.000 0.072 0.000 0.844 342 D CB -0.425 40.407 40.800 0.053 0.000 0.944 342 D HN 0.228 nan 8.370 nan 0.000 0.447 343 L N -0.312 120.891 121.223 -0.033 0.000 2.064 343 L HA -0.202 4.281 4.340 0.238 0.000 0.216 343 L C 1.450 178.220 176.870 -0.165 0.000 1.077 343 L CA 1.678 56.410 54.840 -0.179 0.000 0.766 343 L CB -0.540 41.279 42.059 -0.400 0.000 0.890 343 L HN 0.021 nan 8.230 nan 0.000 0.435 344 F N -1.596 118.453 119.950 0.165 0.000 2.732 344 F HA 0.260 4.929 4.527 0.237 0.000 0.303 344 F C 1.314 177.222 175.800 0.180 0.000 1.110 344 F CA 0.148 58.268 58.000 0.200 0.000 1.355 344 F CB -0.514 38.570 39.000 0.140 0.000 1.081 344 F HN 0.015 nan 8.300 nan 0.000 0.565 345 S N 1.040 116.878 115.700 0.229 0.000 2.422 345 S HA 0.306 4.918 4.470 0.238 0.000 0.308 345 S C -1.772 172.763 174.600 -0.109 0.000 1.097 345 S CA -1.602 56.632 58.200 0.057 0.000 1.099 345 S CB 1.143 64.374 63.200 0.052 0.000 0.976 345 S HN -0.142 nan 8.310 nan 0.000 0.471 346 P HA -0.049 nan 4.420 nan 0.000 0.221 346 P C 0.399 177.555 177.300 -0.240 0.000 1.145 346 P CA 1.030 63.713 63.100 -0.693 0.000 0.795 346 P CB 0.251 31.455 31.700 -0.826 0.000 0.775 347 E N -1.042 119.075 120.200 -0.139 0.000 2.162 347 E HA 0.032 4.525 4.350 0.238 0.000 0.193 347 E C 1.679 178.266 176.600 -0.022 0.000 0.953 347 E CA 0.866 57.228 56.400 -0.064 0.000 0.849 347 E CB -0.342 29.328 29.700 -0.050 0.000 0.810 347 E HN 0.192 nan 8.360 nan 0.000 0.470 348 K N 0.543 120.939 120.400 -0.006 0.000 2.284 348 K HA 0.198 4.661 4.320 0.238 0.000 0.198 348 K C 0.929 177.548 176.600 0.031 0.000 1.048 348 K CA 0.074 56.372 56.287 0.017 0.000 0.987 348 K CB 0.294 32.811 32.500 0.028 0.000 0.800 348 K HN -0.065 nan 8.250 nan 0.000 0.486 349 S N 1.438 117.165 115.700 0.046 0.000 2.558 349 S HA -0.024 4.588 4.470 0.238 0.000 0.287 349 S C -0.287 174.339 174.600 0.044 0.000 1.321 349 S CA 0.311 58.547 58.200 0.059 0.000 1.048 349 S CB 0.295 63.568 63.200 0.121 0.000 0.844 349 S HN 0.018 nan 8.310 nan 0.000 0.512 350 K N 3.807 124.225 120.400 0.030 0.000 2.664 350 K HA 0.449 4.911 4.320 0.238 0.000 0.234 350 K C -1.169 175.432 176.600 0.002 0.000 0.980 350 K CA 0.080 56.379 56.287 0.019 0.000 0.996 350 K CB 0.908 33.422 32.500 0.024 0.000 1.190 350 K HN 0.550 nan 8.250 nan 0.000 0.479 351 L N 4.797 126.010 121.223 -0.016 0.000 2.637 351 L HA 0.332 4.815 4.340 0.238 0.000 0.241 351 L C -1.599 175.227 176.870 -0.072 0.000 1.398 351 L CA -1.085 53.722 54.840 -0.056 0.000 0.895 351 L CB 1.276 43.287 42.059 -0.080 0.000 1.183 351 L HN 0.361 nan 8.230 nan 0.000 0.497 352 P HA 0.009 nan 4.420 nan 0.000 0.241 352 P C 1.172 178.431 177.300 -0.068 0.000 1.191 352 P CA 0.524 63.594 63.100 -0.049 0.000 0.771 352 P CB 0.543 32.230 31.700 -0.021 0.000 0.929 353 G N -0.367 108.374 108.800 -0.098 0.000 3.042 353 G HA2 0.067 4.169 3.960 0.238 0.000 0.212 353 G HA3 0.067 4.169 3.960 0.238 0.000 0.212 353 G C 1.327 176.091 174.900 -0.228 0.000 1.166 353 G CA -0.064 44.974 45.100 -0.104 0.000 0.767 353 G HN 0.198 nan 8.290 nan 0.000 0.546 354 I N 0.443 120.807 120.570 -0.343 0.000 2.260 354 I HA 0.051 4.364 4.170 0.238 0.000 0.237 354 I C 1.156 177.219 176.117 -0.089 0.000 1.075 354 I CA 0.504 61.508 61.300 -0.494 0.000 1.376 354 I CB -0.107 37.629 38.000 -0.441 0.000 1.107 354 I HN 0.033 nan 8.210 nan 0.000 0.420 355 V N -0.497 119.334 119.914 -0.137 0.000 2.427 355 V HA 0.617 4.879 4.120 0.238 0.000 0.286 355 V C 0.837 176.859 176.094 -0.119 0.000 1.034 355 V CA -0.354 61.820 62.300 -0.210 0.000 0.893 355 V CB 1.265 32.864 31.823 -0.374 0.000 0.982 355 V HN 0.234 nan 8.190 nan 0.000 0.452 356 A N 3.031 125.801 122.820 -0.083 0.000 1.929 356 A HA 0.503 4.965 4.320 0.238 0.000 0.216 356 A C 1.210 178.758 177.584 -0.060 0.000 1.176 356 A CA 1.688 53.700 52.037 -0.042 0.000 0.628 356 A CB -0.480 18.515 19.000 -0.008 0.000 0.816 356 A HN 1.945 nan 8.150 nan 0.000 0.444 357 E N -3.638 116.505 120.200 -0.094 0.000 2.431 357 E HA 0.457 4.950 4.350 0.238 0.000 0.287 357 E C 0.220 176.755 176.600 -0.107 0.000 1.032 357 E CA 0.047 56.399 56.400 -0.081 0.000 0.839 357 E CB 0.045 29.715 29.700 -0.049 0.000 1.218 357 E HN 1.834 nan 8.360 nan 0.000 0.424 358 G N -0.048 108.699 108.800 -0.088 0.000 2.367 358 G HA2 0.160 4.263 3.960 0.238 0.000 0.181 358 G HA3 0.160 4.263 3.960 0.238 0.000 0.181 358 G C 0.249 175.101 174.900 -0.080 0.000 1.000 358 G CA 0.343 45.391 45.100 -0.087 0.000 0.693 358 G HN 1.236 nan 8.290 nan 0.000 0.480 359 R N 1.108 121.556 120.500 -0.087 0.000 2.515 359 R HA 0.515 4.997 4.340 0.238 0.000 0.278 359 R C -1.822 174.452 176.300 -0.044 0.000 1.107 359 R CA -0.839 55.224 56.100 -0.062 0.000 0.945 359 R CB 0.891 31.143 30.300 -0.081 0.000 1.219 359 R HN 0.016 nan 8.270 nan 0.000 0.434 360 D N 2.373 122.763 120.400 -0.017 0.000 2.390 360 D HA 0.064 4.847 4.640 0.238 0.000 0.249 360 D C -0.465 175.842 176.300 0.011 0.000 1.144 360 D CA 0.363 54.361 54.000 -0.004 0.000 0.880 360 D CB 0.646 41.450 40.800 0.006 0.000 1.182 360 D HN 0.540 nan 8.370 nan 0.000 0.451 361 D N 1.040 121.444 120.400 0.007 0.000 3.595 361 D HA -0.155 4.628 4.640 0.238 0.000 0.171 361 D C -0.064 176.279 176.300 0.072 0.000 1.006 361 D CA 0.921 54.934 54.000 0.022 0.000 0.660 361 D CB 0.400 41.214 40.800 0.022 0.000 1.108 361 D HN 0.215 nan 8.370 nan 0.000 0.529 362 L N 2.866 124.120 121.223 0.051 0.000 2.431 362 L HA 0.621 5.104 4.340 0.238 0.000 0.260 362 L C -0.112 176.848 176.870 0.149 0.000 1.098 362 L CA -0.994 53.886 54.840 0.066 0.000 0.800 362 L CB 0.558 42.590 42.059 -0.044 0.000 1.210 362 L HN 0.455 nan 8.230 nan 0.000 0.465 363 Y N -1.903 118.382 120.300 -0.025 0.000 2.609 363 Y HA 0.664 5.356 4.550 0.237 0.000 0.336 363 Y C -1.136 174.755 175.900 -0.016 0.000 1.129 363 Y CA -1.574 56.513 58.100 -0.022 0.000 1.040 363 Y CB 0.764 39.232 38.460 0.013 0.000 1.310 363 Y HN 0.153 nan 8.280 nan 0.000 0.460 364 V N 2.922 122.768 119.914 -0.114 0.000 2.432 364 V HA 0.192 4.455 4.120 0.238 0.000 0.271 364 V C 0.982 177.111 176.094 0.058 0.000 1.046 364 V CA 0.541 62.758 62.300 -0.137 0.000 0.945 364 V CB 0.849 32.589 31.823 -0.137 0.000 0.992 364 V HN 1.029 nan 8.190 nan 0.000 0.471 365 S N 2.207 117.838 115.700 -0.114 0.000 2.446 365 S HA 0.075 4.688 4.470 0.238 0.000 0.225 365 S C 0.449 175.147 174.600 0.163 0.000 1.016 365 S CA 0.436 58.689 58.200 0.089 0.000 0.943 365 S CB 0.173 63.358 63.200 -0.024 0.000 0.786 365 S HN 0.808 nan 8.310 nan 0.000 0.508 366 D N -1.147 119.312 120.400 0.098 0.000 2.808 366 D HA 0.608 5.391 4.640 0.238 0.000 0.294 366 D C -2.044 174.136 176.300 -0.200 0.000 1.278 366 D CA 0.090 54.032 54.000 -0.095 0.000 0.756 366 D CB 1.441 42.080 40.800 -0.267 0.000 1.271 366 D HN 0.393 nan 8.370 nan 0.000 0.425 367 A N 0.810 123.331 122.820 -0.499 0.000 2.517 367 A HA 0.713 5.176 4.320 0.238 0.000 0.297 367 A C -1.743 175.498 177.584 -0.571 0.000 1.050 367 A CA -0.545 51.328 52.037 -0.275 0.000 0.694 367 A CB 0.798 19.964 19.000 0.276 0.000 1.277 367 A HN 0.250 nan 8.150 nan 0.000 0.400 368 F N 0.182 120.228 119.950 0.159 0.000 2.598 368 F HA 0.765 5.434 4.527 0.237 0.000 0.327 368 F C 0.165 176.018 175.800 0.088 0.000 1.057 368 F CA -0.394 57.668 58.000 0.103 0.000 0.957 368 F CB 2.164 41.196 39.000 0.053 0.000 1.278 368 F HN 0.778 nan 8.300 nan 0.000 0.484 369 H N 0.755 119.817 119.070 -0.014 0.000 2.894 369 H HA 0.615 5.314 4.556 0.238 0.000 0.367 369 H C -1.616 173.570 175.328 -0.237 0.000 1.144 369 H CA -0.965 54.974 56.048 -0.180 0.000 1.180 369 H CB 1.887 31.402 29.762 -0.411 0.000 1.758 369 H HN 0.560 nan 8.280 nan 0.000 0.541 370 K N 3.056 123.114 120.400 -0.570 0.000 2.525 370 K HA 0.823 5.286 4.320 0.238 0.000 0.254 370 K C -2.027 174.461 176.600 -0.187 0.000 0.934 370 K CA -0.302 55.848 56.287 -0.227 0.000 0.802 370 K CB 1.759 34.218 32.500 -0.068 0.000 1.295 370 K HN 0.679 nan 8.250 nan 0.000 0.433 371 A N 3.053 125.956 122.820 0.139 0.000 2.515 371 A HA 0.842 5.305 4.320 0.238 0.000 0.296 371 A C -1.943 175.933 177.584 0.488 0.000 1.094 371 A CA -0.671 51.599 52.037 0.388 0.000 0.718 371 A CB 0.934 20.302 19.000 0.614 0.000 1.307 371 A HN 0.662 nan 8.150 nan 0.000 0.408 372 F N 1.114 121.227 119.950 0.273 0.000 2.578 372 F HA 0.765 5.437 4.527 0.241 0.000 0.311 372 F C -1.768 173.901 175.800 -0.218 0.000 1.094 372 F CA -1.086 56.928 58.000 0.024 0.000 0.923 372 F CB 1.973 40.976 39.000 0.005 0.000 1.230 372 F HN 0.625 nan 8.300 nan 0.000 0.450 373 L N 4.931 125.426 121.223 -1.215 0.000 2.464 373 L HA 0.601 5.083 4.340 0.238 0.000 0.266 373 L C -1.773 174.324 176.870 -1.287 0.000 0.965 373 L CA -0.192 53.913 54.840 -1.225 0.000 0.833 373 L CB 2.035 43.092 42.059 -1.669 0.000 1.296 373 L HN 0.787 nan 8.230 nan 0.000 0.405 374 E N 3.488 123.128 120.200 -0.934 0.000 2.292 374 E HA 0.732 5.224 4.350 0.238 0.000 0.272 374 E C -2.043 174.229 176.600 -0.547 0.000 0.881 374 E CA -0.717 55.223 56.400 -0.766 0.000 0.754 374 E CB 2.273 31.701 29.700 -0.453 0.000 1.201 374 E HN 0.502 nan 8.360 nan 0.000 0.425 375 V N 4.677 124.207 119.914 -0.639 0.000 2.531 375 V HA 0.492 4.755 4.120 0.238 0.000 0.301 375 V C -0.580 175.450 176.094 -0.106 0.000 1.034 375 V CA -0.676 61.456 62.300 -0.280 0.000 0.865 375 V CB 1.501 33.214 31.823 -0.184 0.000 0.995 375 V HN 0.847 nan 8.190 nan 0.000 0.424 376 N N 2.562 121.294 118.700 0.054 0.000 3.278 376 N HA 0.386 5.269 4.740 0.238 0.000 0.307 376 N C 0.373 176.048 175.510 0.276 0.000 1.551 376 N CA -0.861 52.241 53.050 0.087 0.000 0.794 376 N CB 0.846 39.353 38.487 0.033 0.000 1.770 376 N HN 0.241 nan 8.380 nan 0.000 0.612 377 E N -0.488 119.845 120.200 0.221 0.000 2.209 377 E HA -0.113 4.380 4.350 0.238 0.000 0.196 377 E C 0.684 177.632 176.600 0.579 0.000 0.993 377 E CA 1.429 58.069 56.400 0.399 0.000 0.819 377 E CB -0.048 29.811 29.700 0.265 0.000 0.745 377 E HN 0.586 nan 8.360 nan 0.000 0.477 378 E N -0.968 119.437 120.200 0.341 0.000 2.140 378 E HA 0.207 4.700 4.350 0.238 0.000 0.191 378 E C 0.881 177.526 176.600 0.076 0.000 0.973 378 E CA 0.910 57.456 56.400 0.243 0.000 0.829 378 E CB 0.459 30.221 29.700 0.102 0.000 0.781 378 E HN 0.234 nan 8.360 nan 0.000 0.466 379 G N -1.269 107.386 108.800 -0.241 0.000 2.485 379 G HA2 0.359 4.462 3.960 0.238 0.000 0.182 379 G HA3 0.359 4.462 3.960 0.238 0.000 0.182 379 G C -1.168 173.344 174.900 -0.647 0.000 1.172 379 G CA -0.008 44.518 45.100 -0.957 0.000 0.996 379 G HN 0.048 nan 8.290 nan 0.000 0.496 380 S N -0.865 114.567 115.700 -0.447 0.000 2.588 380 S HA 0.687 5.299 4.470 0.238 0.000 0.275 380 S C -1.714 172.699 174.600 -0.311 0.000 1.130 380 S CA -0.274 57.788 58.200 -0.230 0.000 0.855 380 S CB 2.002 65.227 63.200 0.041 0.000 1.116 380 S HN 0.792 nan 8.310 nan 0.000 0.472 381 E N 1.190 121.254 120.200 -0.227 0.000 2.272 381 E HA 0.713 5.206 4.350 0.238 0.000 0.269 381 E C -1.511 175.008 176.600 -0.134 0.000 0.877 381 E CA -0.835 55.413 56.400 -0.254 0.000 0.755 381 E CB 1.848 31.494 29.700 -0.092 0.000 1.192 381 E HN 0.789 nan 8.360 nan 0.000 0.422 382 A N 2.399 125.109 122.820 -0.183 0.000 2.455 382 A HA 0.877 5.340 4.320 0.238 0.000 0.300 382 A C -1.507 175.965 177.584 -0.187 0.000 1.040 382 A CA -0.086 51.781 52.037 -0.283 0.000 0.697 382 A CB 1.784 20.268 19.000 -0.860 0.000 1.265 382 A HN 0.641 nan 8.150 nan 0.000 0.407 383 A N 0.423 123.320 122.820 0.128 0.000 2.556 383 A HA 1.074 5.537 4.320 0.238 0.000 0.294 383 A C -0.405 177.464 177.584 0.474 0.000 1.091 383 A CA -0.045 52.199 52.037 0.344 0.000 0.704 383 A CB 1.492 20.674 19.000 0.303 0.000 1.300 383 A HN 2.732 nan 8.150 nan 0.000 0.406 384 A N -0.235 122.841 122.820 0.426 0.000 2.601 384 A HA 0.924 5.387 4.320 0.238 0.000 0.291 384 A C -0.633 177.027 177.584 0.127 0.000 1.075 384 A CA 0.215 52.419 52.037 0.278 0.000 0.671 384 A CB 0.948 20.204 19.000 0.427 0.000 1.277 384 A HN 2.362 nan 8.150 nan 0.000 0.417 385 S N -0.701 114.977 115.700 -0.038 0.000 2.537 385 S HA 0.800 5.413 4.470 0.238 0.000 0.271 385 S C -1.214 173.382 174.600 -0.005 0.000 1.148 385 S CA -0.005 58.209 58.200 0.023 0.000 0.868 385 S CB 1.824 65.055 63.200 0.052 0.000 1.115 385 S HN 1.248 nan 8.310 nan 0.000 0.461 386 T N 2.694 117.330 114.554 0.138 0.000 2.848 386 T HA 0.799 5.292 4.350 0.238 0.000 0.285 386 T C -0.849 173.944 174.700 0.154 0.000 0.995 386 T CA -0.405 61.822 62.100 0.212 0.000 0.970 386 T CB 1.483 70.522 68.868 0.284 0.000 0.976 386 T HN 1.015 nan 8.240 nan 0.000 0.441 387 A N 2.690 125.616 122.820 0.176 0.000 2.343 387 A HA 0.772 5.235 4.320 0.238 0.000 0.308 387 A C -0.788 176.856 177.584 0.099 0.000 1.092 387 A CA -0.628 51.500 52.037 0.152 0.000 0.751 387 A CB 1.092 20.222 19.000 0.217 0.000 1.203 387 A HN 0.664 nan 8.150 nan 0.000 0.452 388 V N 3.305 123.198 119.914 -0.034 0.000 2.384 388 V HA 0.537 4.800 4.120 0.238 0.000 0.287 388 V C 0.033 176.084 176.094 -0.071 0.000 1.020 388 V CA -0.529 61.693 62.300 -0.131 0.000 0.850 388 V CB 1.342 32.927 31.823 -0.397 0.000 0.987 388 V HN 1.030 nan 8.190 nan 0.000 0.436 389 V N 6.043 125.935 119.914 -0.038 0.000 2.459 389 V HA 0.619 4.881 4.120 0.238 0.000 0.295 389 V C -0.451 175.552 176.094 -0.150 0.000 1.029 389 V CA -0.521 61.736 62.300 -0.071 0.000 0.874 389 V CB 1.579 33.393 31.823 -0.015 0.000 0.985 389 V HN 0.614 nan 8.190 nan 0.000 0.438 390 I N 5.848 126.301 120.570 -0.195 0.000 2.342 390 I HA 0.508 4.821 4.170 0.238 0.000 0.291 390 I C 1.155 177.069 176.117 -0.338 0.000 1.010 390 I CA 0.450 61.591 61.300 -0.265 0.000 1.308 390 I CB 0.338 38.235 38.000 -0.171 0.000 1.400 390 I HN 1.271 nan 8.210 nan 0.000 0.488 391 A N 4.520 126.982 122.820 -0.597 0.000 2.610 391 A HA -0.065 4.398 4.320 0.238 0.000 0.299 391 A C 0.883 178.320 177.584 -0.244 0.000 1.487 391 A CA 0.898 52.613 52.037 -0.537 0.000 0.743 391 A CB -1.947 16.910 19.000 -0.238 0.000 1.070 391 A HN 1.047 nan 8.150 nan 0.000 0.439 392 G N -0.895 107.780 108.800 -0.208 0.000 3.008 392 G HA2 0.613 4.716 3.960 0.238 0.000 0.181 392 G HA3 0.613 4.716 3.960 0.238 0.000 0.181 392 G C -0.029 174.884 174.900 0.022 0.000 1.309 392 G CA -0.203 44.844 45.100 -0.088 0.000 1.009 392 G HN 0.910 nan 8.290 nan 0.000 0.584 393 R N 0.013 120.548 120.500 0.058 0.000 2.294 393 R HA 0.453 4.936 4.340 0.238 0.000 0.319 393 R C -0.382 176.000 176.300 0.137 0.000 0.984 393 R CA -0.230 55.928 56.100 0.098 0.000 0.861 393 R CB 1.093 31.439 30.300 0.076 0.000 1.104 393 R HN 0.358 nan 8.270 nan 0.000 0.451 394 S N 6.390 122.177 115.700 0.146 0.000 2.494 394 S HA 0.191 4.804 4.470 0.238 0.000 0.312 394 S C 0.015 174.689 174.600 0.123 0.000 1.121 394 S CA -0.890 57.396 58.200 0.143 0.000 1.068 394 S CB -0.482 62.804 63.200 0.142 0.000 1.141 394 S HN 0.446 nan 8.310 nan 0.000 0.527 395 L N 3.697 125.012 121.223 0.153 0.000 2.448 395 L HA 0.705 5.188 4.340 0.238 0.000 0.258 395 L C 0.212 177.154 176.870 0.120 0.000 1.104 395 L CA -0.878 54.040 54.840 0.129 0.000 0.800 395 L CB 0.110 42.251 42.059 0.137 0.000 1.241 395 L HN 0.291 nan 8.230 nan 0.000 0.472 396 N N 0.638 119.395 118.700 0.096 0.000 2.518 396 N HA 0.392 5.274 4.740 0.238 0.000 0.283 396 N C -2.237 173.334 175.510 0.101 0.000 1.119 396 N CA -0.903 52.196 53.050 0.082 0.000 0.983 396 N CB 0.185 38.706 38.487 0.058 0.000 1.139 396 N HN 0.662 nan 8.380 nan 0.000 0.465 397 P HA 0.008 nan 4.420 nan 0.000 0.267 397 P C -0.252 177.108 177.300 0.099 0.000 1.201 397 P CA -0.083 63.086 63.100 0.115 0.000 0.775 397 P CB 0.947 32.700 31.700 0.088 0.000 0.854 402 F N 1.434 121.402 119.950 0.030 0.000 2.502 402 F HA 0.533 5.202 4.527 0.238 0.000 0.371 402 F C 0.804 176.623 175.800 0.031 0.000 1.083 402 F CA -1.075 56.942 58.000 0.028 0.000 1.174 402 F CB -0.562 38.454 39.000 0.026 0.000 1.096 402 F HN 0.494 nan 8.300 nan 0.000 0.545 403 K N 2.886 123.306 120.400 0.033 0.000 2.401 403 K HA 0.618 5.081 4.320 0.238 0.000 0.278 403 K C 0.646 177.287 176.600 0.068 0.000 1.018 403 K CA 0.233 56.544 56.287 0.040 0.000 0.981 403 K CB 1.060 33.581 32.500 0.034 0.000 0.933 403 K HN 1.364 nan 8.250 nan 0.000 0.477 404 A N 1.557 124.431 122.820 0.091 0.000 3.324 404 A HA 0.744 5.207 4.320 0.238 0.000 0.196 404 A C 0.006 177.719 177.584 0.214 0.000 1.506 404 A CA 0.120 52.266 52.037 0.180 0.000 1.687 404 A CB 0.455 19.545 19.000 0.150 0.000 1.570 404 A HN 0.714 nan 8.150 nan 0.000 0.533 405 N N -4.100 114.788 118.700 0.314 0.000 3.322 405 N HA 0.440 5.322 4.740 0.238 0.000 0.233 405 N C -0.382 175.281 175.510 0.255 0.000 1.399 405 N CA 0.776 53.946 53.050 0.200 0.000 0.894 405 N CB 0.984 39.486 38.487 0.025 0.000 1.440 405 N HN 1.414 nan 8.380 nan 0.000 0.503 406 R N -0.511 120.065 120.500 0.126 0.000 3.034 406 R HA -0.121 4.361 4.340 0.238 0.000 0.237 406 R C -2.179 174.249 176.300 0.213 0.000 0.861 406 R CA 1.243 57.424 56.100 0.135 0.000 0.588 406 R CB -2.918 27.436 30.300 0.089 0.000 1.035 406 R HN 0.599 nan 8.270 nan 0.000 0.488 407 P HA 0.605 nan 4.420 nan 0.000 0.272 407 P C -0.269 177.155 177.300 0.206 0.000 1.240 407 P CA -0.221 62.957 63.100 0.130 0.000 0.791 407 P CB 0.446 32.168 31.700 0.037 0.000 0.978 408 F N -1.540 118.418 119.950 0.013 0.000 2.601 408 F HA 0.584 5.238 4.527 0.212 0.000 0.309 408 F C -1.112 174.701 175.800 0.022 0.000 1.089 408 F CA -1.571 56.438 58.000 0.015 0.000 0.940 408 F CB 0.660 39.660 39.000 0.000 0.000 1.273 408 F HN 0.020 nan 8.300 nan 0.000 0.450 409 L N 3.031 124.330 121.223 0.127 0.000 2.399 409 L HA 0.767 5.250 4.340 0.238 0.000 0.266 409 L C -0.413 176.521 176.870 0.107 0.000 1.114 409 L CA -1.288 53.547 54.840 -0.009 0.000 0.804 409 L CB 1.521 43.610 42.059 0.051 0.000 1.146 409 L HN 0.730 nan 8.230 nan 0.000 0.451 410 V N 2.454 122.323 119.914 -0.075 0.000 2.808 410 V HA 0.576 4.838 4.120 0.238 0.000 0.308 410 V C -1.539 174.537 176.094 -0.029 0.000 1.099 410 V CA -0.309 62.084 62.300 0.156 0.000 0.920 410 V CB 1.999 33.973 31.823 0.252 0.000 1.014 410 V HN 0.498 nan 8.190 nan 0.000 0.425 411 F N 5.864 125.946 119.950 0.220 0.000 2.565 411 F HA 0.655 5.256 4.527 0.124 0.000 0.313 411 F C -0.032 175.915 175.800 0.246 0.000 1.091 411 F CA -0.772 57.343 58.000 0.191 0.000 0.915 411 F CB 2.158 41.236 39.000 0.131 0.000 1.208 411 F HN 0.276 nan 8.300 nan 0.000 0.453 412 I N 4.323 125.149 120.570 0.427 0.000 2.359 412 I HA 0.435 4.747 4.170 0.238 0.000 0.284 412 I C -0.471 175.783 176.117 0.228 0.000 1.018 412 I CA -0.635 60.866 61.300 0.335 0.000 1.173 412 I CB 1.078 39.265 38.000 0.311 0.000 1.326 412 I HN 0.625 nan 8.210 nan 0.000 0.462 413 R N 4.466 125.088 120.500 0.203 0.000 2.732 413 R HA 0.538 5.021 4.340 0.238 0.000 0.278 413 R C -0.583 175.776 176.300 0.098 0.000 0.976 413 R CA -0.829 55.351 56.100 0.133 0.000 0.963 413 R CB 2.078 32.452 30.300 0.124 0.000 1.150 413 R HN 0.293 nan 8.270 nan 0.000 0.478 414 E N 2.919 123.157 120.200 0.064 0.000 2.046 414 E HA 0.090 4.583 4.350 0.238 0.000 0.279 414 E C 0.690 177.337 176.600 0.077 0.000 0.989 414 E CA -0.350 56.086 56.400 0.061 0.000 0.798 414 E CB 1.549 31.263 29.700 0.024 0.000 1.086 414 E HN 0.598 nan 8.360 nan 0.000 0.399 415 V N 7.186 127.161 119.914 0.101 0.000 2.220 415 V HA -0.204 4.058 4.120 0.238 0.000 0.246 415 V C -0.810 175.346 176.094 0.104 0.000 1.049 415 V CA 1.771 64.133 62.300 0.104 0.000 1.003 415 V CB -1.518 30.373 31.823 0.113 0.000 0.634 415 V HN 0.543 nan 8.190 nan 0.000 0.444 416 P HA -0.199 nan 4.420 nan 0.000 0.218 416 P C 1.060 178.445 177.300 0.142 0.000 1.132 416 P CA 1.951 65.112 63.100 0.102 0.000 0.968 416 P CB -0.179 31.572 31.700 0.085 0.000 0.783 417 L N -4.859 116.448 121.223 0.140 0.000 3.030 417 L HA 0.466 4.949 4.340 0.238 0.000 0.252 417 L C 0.003 176.923 176.870 0.083 0.000 1.316 417 L CA -0.710 54.251 54.840 0.201 0.000 0.975 417 L CB -0.548 41.639 42.059 0.213 0.000 1.357 417 L HN -0.078 nan 8.230 nan 0.000 0.534 418 N N 2.006 120.758 118.700 0.087 0.000 2.903 418 N HA -0.173 4.710 4.740 0.238 0.000 0.296 418 N C -0.536 174.958 175.510 -0.027 0.000 1.037 418 N CA 1.098 54.165 53.050 0.027 0.000 0.841 418 N CB -0.163 38.333 38.487 0.016 0.000 0.958 418 N HN 0.674 nan 8.380 nan 0.000 0.605 419 T N 3.065 117.617 114.554 -0.004 0.000 2.829 419 T HA 0.456 4.949 4.350 0.238 0.000 0.282 419 T C 0.940 175.653 174.700 0.021 0.000 0.990 419 T CA -0.512 61.579 62.100 -0.014 0.000 1.028 419 T CB 1.169 70.023 68.868 -0.022 0.000 0.951 419 T HN 0.150 nan 8.240 nan 0.000 0.460 420 I N 4.362 124.954 120.570 0.037 0.000 2.291 420 I HA 0.239 4.552 4.170 0.238 0.000 0.292 420 I C 1.038 177.168 176.117 0.022 0.000 1.064 420 I CA -0.243 61.110 61.300 0.088 0.000 1.269 420 I CB 0.687 38.777 38.000 0.149 0.000 1.418 420 I HN 0.682 nan 8.210 nan 0.000 0.485 421 I N 5.284 125.837 120.570 -0.028 0.000 2.296 421 I HA 0.027 4.340 4.170 0.238 0.000 0.242 421 I C 0.106 175.905 176.117 -0.529 0.000 1.087 421 I CA 1.147 62.291 61.300 -0.260 0.000 1.393 421 I CB 0.072 37.920 38.000 -0.253 0.000 1.093 421 I HN 0.288 nan 8.210 nan 0.000 0.421 422 F N 0.912 120.865 119.950 0.005 0.000 2.576 422 F HA 0.616 5.281 4.527 0.231 0.000 0.313 422 F C -0.158 175.542 175.800 -0.168 0.000 1.078 422 F CA -0.925 56.979 58.000 -0.159 0.000 0.921 422 F CB 1.860 40.759 39.000 -0.168 0.000 1.232 422 F HN -0.170 nan 8.300 nan 0.000 0.459 423 M N 1.207 120.698 119.600 -0.182 0.000 2.520 423 M HA 0.978 5.600 4.480 0.238 0.000 0.280 423 M C -0.993 175.123 176.300 -0.306 0.000 1.232 423 M CA -0.426 54.679 55.300 -0.323 0.000 0.892 423 M CB 2.624 34.996 32.600 -0.379 0.000 1.728 423 M HN 0.749 nan 8.290 nan 0.000 0.475 424 G N 1.143 109.759 108.800 -0.307 0.000 2.428 424 G HA2 0.537 4.640 3.960 0.238 0.000 0.304 424 G HA3 0.537 4.640 3.960 0.238 0.000 0.304 424 G C -2.381 172.457 174.900 -0.102 0.000 1.303 424 G CA -0.991 44.109 45.100 -0.001 0.000 0.825 424 G HN 0.890 nan 8.290 nan 0.000 0.484 425 R N 0.246 120.766 120.500 0.033 0.000 2.483 425 R HA 0.538 5.020 4.340 0.238 0.000 0.303 425 R C -1.426 174.763 176.300 -0.185 0.000 0.987 425 R CA -0.435 55.613 56.100 -0.085 0.000 0.881 425 R CB 1.812 32.157 30.300 0.075 0.000 1.177 425 R HN 0.351 nan 8.270 nan 0.000 0.451 426 V N 5.111 124.710 119.914 -0.525 0.000 2.353 426 V HA 0.251 4.513 4.120 0.238 0.000 0.264 426 V C 0.990 176.823 176.094 -0.434 0.000 1.049 426 V CA 0.211 62.153 62.300 -0.596 0.000 0.896 426 V CB 0.775 31.921 31.823 -1.129 0.000 1.025 426 V HN 0.953 nan 8.190 nan 0.000 0.475 427 A N 4.426 127.122 122.820 -0.207 0.000 1.942 427 A HA 0.147 4.610 4.320 0.238 0.000 0.209 427 A C 1.051 178.573 177.584 -0.103 0.000 1.214 427 A CA 0.323 52.320 52.037 -0.068 0.000 0.686 427 A CB -0.052 18.945 19.000 -0.006 0.000 0.871 427 A HN 0.713 nan 8.150 nan 0.000 0.460 428 N N 0.706 119.281 118.700 -0.208 0.000 2.511 428 N HA 0.320 5.203 4.740 0.238 0.000 0.249 428 N C -2.487 172.769 175.510 -0.422 0.000 0.971 428 N CA -1.605 51.229 53.050 -0.360 0.000 0.938 428 N CB 1.695 40.078 38.487 -0.172 0.000 1.131 428 N HN 0.026 nan 8.380 nan 0.000 0.505 429 P HA 0.200 nan 4.420 nan 0.000 0.258 429 P C -0.256 176.886 177.300 -0.263 0.000 1.416 429 P CA -0.147 62.684 63.100 -0.449 0.000 0.927 429 P CB 0.045 31.447 31.700 -0.496 0.000 1.444 430 c N 0.000 118.428 118.600 -0.287 0.000 2.653 430 c HA 0.000 4.713 4.570 0.238 0.000 0.325 430 c CA 0.000 56.237 56.329 -0.153 0.000 1.963 430 c CB 0.000 42.420 42.510 -0.150 0.000 2.134 430 c HN 0.000 nan 8.230 nan 0.000 0.568