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 1lk6_1_I DATA FIRST_RESID 5 DATA SEQUENCE VDIcTAKPRD IPMNPMcIYR SPEXXXXXXX XXXXXXXEAT NRRVWELSKA DATA SEQUENCE NSRFATTFYQ HLADSKNDND NIFLSPLSIS TAFAMTKLGA cNDTLQQLME DATA SEQUENCE VFKFDTISEK TSDQIHFFFA KLNcRLYRKA NKSSKLVSAN 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 VNEEGSXXXA STAVVIAGRS LNPNRVTFKA DATA SEQUENCE NRPFLVFIRE VPLNTIIFMG RVANPcV 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 0.000 176.108 176.094 0.023 0.000 1.182 5 V CA 0.000 62.313 62.300 0.021 0.000 1.235 5 V CB 0.000 31.835 31.823 0.021 0.000 1.184 6 D N 2.873 123.287 120.400 0.024 0.000 2.325 6 D HA 0.221 4.882 4.640 0.036 0.000 0.251 6 D C 1.163 177.480 176.300 0.028 0.000 1.196 6 D CA -0.081 53.931 54.000 0.021 0.000 0.866 6 D CB 1.662 42.474 40.800 0.018 0.000 1.101 6 D HN 0.555 nan 8.370 nan 0.000 0.476 7 I N 3.442 124.023 120.570 0.018 0.000 2.335 7 I HA -0.327 3.864 4.170 0.036 0.000 0.251 7 I C 1.869 177.975 176.117 -0.020 0.000 1.129 7 I CA 1.090 62.399 61.300 0.015 0.000 1.402 7 I CB 0.237 38.226 38.000 -0.019 0.000 1.069 7 I HN 0.450 nan 8.210 nan 0.000 0.424 8 c N 0.511 119.098 118.600 -0.022 0.000 2.449 8 c HA -0.055 4.536 4.570 0.036 0.000 0.283 8 c C 2.300 176.385 174.090 -0.009 0.000 1.453 8 c CA 1.382 57.691 56.329 -0.032 0.000 1.779 8 c CB -1.690 40.814 42.510 -0.011 0.000 1.779 8 c HN 0.737 nan 8.230 nan 0.000 0.546 9 T N -3.039 111.528 114.554 0.022 0.000 3.043 9 T HA 0.488 4.859 4.350 0.036 0.000 0.272 9 T C 0.347 175.097 174.700 0.083 0.000 0.990 9 T CA 0.425 62.552 62.100 0.044 0.000 0.897 9 T CB 0.010 68.900 68.868 0.036 0.000 1.111 9 T HN 0.318 nan 8.240 nan 0.000 0.529 10 A N 2.148 125.035 122.820 0.112 0.000 2.371 10 A HA 0.615 4.956 4.320 0.036 0.000 0.257 10 A C 0.273 178.060 177.584 0.337 0.000 1.089 10 A CA -0.576 51.573 52.037 0.186 0.000 0.794 10 A CB 0.474 19.594 19.000 0.199 0.000 1.029 10 A HN 0.256 nan 8.150 nan 0.000 0.488 11 K N 2.358 122.892 120.400 0.223 0.000 2.118 11 K HA 0.263 4.604 4.320 0.036 0.000 0.264 11 K C -1.778 174.769 176.600 -0.089 0.000 1.000 11 K CA -2.079 54.299 56.287 0.151 0.000 0.929 11 K CB 0.736 33.261 32.500 0.043 0.000 1.021 11 K HN 0.422 nan 8.250 nan 0.000 0.463 12 P HA -0.225 nan 4.420 nan 0.000 0.218 12 P C 0.915 177.946 177.300 -0.448 0.000 1.146 12 P CA 1.511 63.918 63.100 -1.156 0.000 0.813 12 P CB 0.141 31.220 31.700 -1.035 0.000 0.778 13 R N 0.159 120.519 120.500 -0.234 0.000 2.189 13 R HA -0.068 4.294 4.340 0.036 0.000 0.223 13 R C 1.092 177.350 176.300 -0.071 0.000 1.092 13 R CA 1.431 57.457 56.100 -0.124 0.000 0.989 13 R CB -0.951 29.304 30.300 -0.075 0.000 0.876 13 R HN 0.061 nan 8.270 nan 0.000 0.457 14 D N 0.829 121.205 120.400 -0.041 0.000 2.349 14 D HA 0.108 4.770 4.640 0.036 0.000 0.224 14 D C 0.312 176.629 176.300 0.029 0.000 1.029 14 D CA 0.611 54.618 54.000 0.011 0.000 0.879 14 D CB 0.346 41.176 40.800 0.051 0.000 0.906 14 D HN 0.363 nan 8.370 nan 0.000 0.528 15 I N 1.599 122.176 120.570 0.012 0.000 2.698 15 I HA 0.190 4.382 4.170 0.036 0.000 0.276 15 I C -2.560 173.556 176.117 -0.002 0.000 1.166 15 I CA -1.784 59.542 61.300 0.043 0.000 1.101 15 I CB 1.642 39.742 38.000 0.166 0.000 1.305 15 I HN -0.440 nan 8.210 nan 0.000 0.526 16 P HA 0.142 nan 4.420 nan 0.000 0.265 16 P C 0.771 178.063 177.300 -0.014 0.000 1.222 16 P CA -0.045 63.041 63.100 -0.022 0.000 0.767 16 P CB 0.591 32.281 31.700 -0.017 0.000 0.801 17 M N 1.875 121.465 119.600 -0.017 0.000 2.334 17 M HA -0.034 4.467 4.480 0.036 0.000 0.266 17 M C 0.658 176.951 176.300 -0.011 0.000 1.082 17 M CA 0.655 55.947 55.300 -0.012 0.000 1.141 17 M CB -1.600 31.000 32.600 0.000 0.000 1.380 17 M HN 0.388 nan 8.290 nan 0.000 0.440 18 N N 1.882 120.577 118.700 -0.008 0.000 2.718 18 N HA -0.113 4.648 4.740 0.036 0.000 0.268 18 N C -2.358 173.155 175.510 0.004 0.000 0.965 18 N CA 0.117 53.166 53.050 -0.002 0.000 0.817 18 N CB -0.553 37.933 38.487 -0.002 0.000 0.914 18 N HN 0.254 nan 8.380 nan 0.000 0.558 19 P HA 0.038 nan 4.420 nan 0.000 0.277 19 P C 1.087 178.398 177.300 0.019 0.000 1.240 19 P CA -0.493 62.615 63.100 0.014 0.000 0.798 19 P CB 0.852 32.567 31.700 0.026 0.000 0.979 20 M N 1.647 121.256 119.600 0.016 0.000 2.108 20 M HA -0.100 4.402 4.480 0.036 0.000 0.261 20 M C 0.098 176.410 176.300 0.020 0.000 1.066 20 M CA 2.066 57.373 55.300 0.011 0.000 1.107 20 M CB -0.336 32.262 32.600 -0.002 0.000 1.356 20 M HN 0.376 nan 8.290 nan 0.000 0.406 21 c N -0.872 117.747 118.600 0.032 0.000 3.213 21 c HA 0.734 5.326 4.570 0.036 0.000 0.319 21 c C -0.482 173.652 174.090 0.073 0.000 1.386 21 c CA -1.468 54.891 56.329 0.049 0.000 1.494 21 c CB 1.732 44.272 42.510 0.049 0.000 1.905 21 c HN 0.320 nan 8.230 nan 0.000 0.456 22 I N 0.558 121.183 120.570 0.092 0.000 2.894 22 I HA 0.477 4.669 4.170 0.036 0.000 0.302 22 I C -1.435 174.795 176.117 0.188 0.000 1.188 22 I CA -0.432 60.939 61.300 0.118 0.000 1.014 22 I CB 1.916 39.958 38.000 0.070 0.000 1.242 22 I HN 0.829 nan 8.210 nan 0.000 0.430 23 Y N 4.177 124.507 120.300 0.051 0.000 2.457 23 Y HA 0.594 5.166 4.550 0.036 0.000 0.343 23 Y C -0.699 175.235 175.900 0.056 0.000 0.994 23 Y CA -0.979 57.154 58.100 0.056 0.000 1.031 23 Y CB 1.549 40.052 38.460 0.072 0.000 1.246 23 Y HN 0.512 nan 8.280 nan 0.000 0.449 24 R N 3.125 123.231 120.500 -0.658 0.000 2.215 24 R HA 0.465 4.826 4.340 0.036 0.000 0.336 24 R C -0.581 175.313 176.300 -0.676 0.000 0.996 24 R CA -0.217 55.603 56.100 -0.466 0.000 0.847 24 R CB 0.968 31.104 30.300 -0.273 0.000 1.127 24 R HN 0.715 nan 8.270 nan 0.000 0.465 25 S N 6.103 121.640 115.700 -0.272 0.000 2.560 25 S HA 0.103 4.595 4.470 0.036 0.000 0.284 25 S C -1.690 172.869 174.600 -0.067 0.000 1.327 25 S CA -0.837 57.329 58.200 -0.058 0.000 1.055 25 S CB 0.503 63.777 63.200 0.122 0.000 0.868 25 S HN 0.530 nan 8.310 nan 0.000 0.506 26 P HA -0.044 nan 4.420 nan 0.000 0.330 26 P C 0.390 177.703 177.300 0.021 0.000 1.377 26 P CA -0.217 62.886 63.100 0.005 0.000 0.793 26 P CB 0.000 31.728 31.700 0.047 0.000 1.813 43 A N 0.493 123.211 122.820 -0.170 0.000 2.355 43 A HA 0.133 4.475 4.320 0.036 0.000 0.222 43 A C -0.128 177.413 177.584 -0.072 0.000 2.875 43 A CA 0.017 51.993 52.037 -0.102 0.000 1.652 43 A CB -0.465 18.494 19.000 -0.068 0.000 0.208 43 A HN 0.321 nan 8.150 nan 0.000 0.616 44 T N 0.135 114.638 114.554 -0.085 0.000 2.898 44 T HA 0.351 4.722 4.350 0.036 0.000 0.283 44 T C 0.216 174.908 174.700 -0.015 0.000 1.059 44 T CA -0.566 61.521 62.100 -0.022 0.000 0.958 44 T CB 0.277 69.168 68.868 0.038 0.000 1.594 44 T HN 0.367 nan 8.240 nan 0.000 0.598 45 N N 0.879 119.594 118.700 0.026 0.000 2.411 45 N HA 0.066 4.827 4.740 0.036 0.000 0.259 45 N C 1.065 176.601 175.510 0.042 0.000 1.103 45 N CA -0.144 52.919 53.050 0.022 0.000 0.954 45 N CB 0.969 39.465 38.487 0.015 0.000 1.085 45 N HN 0.442 nan 8.380 nan 0.000 0.485 46 R N 3.820 124.326 120.500 0.009 0.000 2.134 46 R HA -0.158 4.204 4.340 0.036 0.000 0.248 46 R C 1.595 177.900 176.300 0.009 0.000 1.143 46 R CA 1.915 58.026 56.100 0.020 0.000 0.957 46 R CB 0.010 30.305 30.300 -0.010 0.000 0.867 46 R HN 0.566 nan 8.270 nan 0.000 0.441 47 R N -0.188 120.220 120.500 -0.152 0.000 2.073 47 R HA -0.028 4.334 4.340 0.036 0.000 0.229 47 R C 2.326 178.374 176.300 -0.420 0.000 1.120 47 R CA 1.503 57.301 56.100 -0.503 0.000 0.967 47 R CB -1.319 28.408 30.300 -0.955 0.000 0.862 47 R HN 0.450 nan 8.270 nan 0.000 0.436 48 V N -0.905 118.891 119.914 -0.198 0.000 2.809 48 V HA -0.080 4.062 4.120 0.036 0.000 0.256 48 V C 1.973 178.028 176.094 -0.065 0.000 1.080 48 V CA 1.115 63.339 62.300 -0.127 0.000 1.102 48 V CB -0.667 31.119 31.823 -0.060 0.000 0.705 48 V HN 0.400 nan 8.190 nan 0.000 0.475 49 W N 1.692 122.903 121.300 -0.149 0.000 2.409 49 W HA -0.092 4.589 4.660 0.036 0.000 0.299 49 W C 2.085 178.548 176.519 -0.094 0.000 1.203 49 W CA 1.885 59.170 57.345 -0.100 0.000 1.298 49 W CB 0.012 29.423 29.460 -0.082 0.000 1.127 49 W HN 0.414 nan 8.180 nan 0.000 0.528 50 E N 0.716 120.839 120.200 -0.128 0.000 2.047 50 E HA -0.256 4.115 4.350 0.036 0.000 0.191 50 E C 2.100 178.592 176.600 -0.180 0.000 0.987 50 E CA 1.409 57.706 56.400 -0.172 0.000 0.799 50 E CB -0.737 28.916 29.700 -0.080 0.000 0.752 50 E HN 0.164 nan 8.360 nan 0.000 0.449 51 L N 1.053 122.175 121.223 -0.168 0.000 2.191 51 L HA -0.131 4.231 4.340 0.036 0.000 0.212 51 L C 2.326 179.107 176.870 -0.148 0.000 1.103 51 L CA 1.577 56.364 54.840 -0.088 0.000 0.769 51 L CB -0.458 41.526 42.059 -0.125 0.000 0.908 51 L HN -0.033 nan 8.230 nan 0.000 0.438 52 S N -0.811 114.740 115.700 -0.248 0.000 2.368 52 S HA -0.212 4.279 4.470 0.036 0.000 0.224 52 S C 2.114 176.538 174.600 -0.293 0.000 1.029 52 S CA 1.512 59.544 58.200 -0.280 0.000 0.988 52 S CB -0.158 62.821 63.200 -0.369 0.000 0.838 52 S HN 0.539 nan 8.310 nan 0.000 0.462 53 K N 0.691 120.851 120.400 -0.399 0.000 2.057 53 K HA 0.010 4.352 4.320 0.036 0.000 0.207 53 K C 2.336 178.859 176.600 -0.129 0.000 1.049 53 K CA 1.095 57.195 56.287 -0.313 0.000 0.931 53 K CB -0.393 31.909 32.500 -0.330 0.000 0.714 53 K HN 0.416 nan 8.250 nan 0.000 0.440 54 A N 2.121 124.900 122.820 -0.068 0.000 1.841 54 A HA -0.238 4.103 4.320 0.036 0.000 0.216 54 A C 1.763 179.368 177.584 0.035 0.000 1.199 54 A CA 1.971 54.023 52.037 0.025 0.000 0.621 54 A CB -0.790 18.301 19.000 0.152 0.000 0.835 54 A HN 0.277 nan 8.150 nan 0.000 0.445 55 N N 0.342 119.075 118.700 0.054 0.000 2.192 55 N HA -0.113 4.649 4.740 0.036 0.000 0.188 55 N C 1.872 177.463 175.510 0.135 0.000 1.013 55 N CA 1.573 54.697 53.050 0.122 0.000 0.863 55 N CB -0.498 38.046 38.487 0.096 0.000 0.990 55 N HN 0.468 nan 8.380 nan 0.000 0.430 56 S N 0.590 116.315 115.700 0.042 0.000 2.387 56 S HA 0.064 4.556 4.470 0.036 0.000 0.226 56 S C 1.838 176.464 174.600 0.043 0.000 1.026 56 S CA 0.422 58.643 58.200 0.036 0.000 0.972 56 S CB 0.172 63.353 63.200 -0.032 0.000 0.814 56 S HN 0.361 nan 8.310 nan 0.000 0.477 57 R N 0.019 120.538 120.500 0.031 0.000 2.096 57 R HA -0.065 4.297 4.340 0.036 0.000 0.235 57 R C 2.014 178.346 176.300 0.053 0.000 1.127 57 R CA 1.329 57.445 56.100 0.026 0.000 0.968 57 R CB -0.463 29.848 30.300 0.018 0.000 0.861 57 R HN 0.445 nan 8.270 nan 0.000 0.440 58 F N 1.665 121.591 119.950 -0.039 0.000 2.163 58 F HA -0.031 4.517 4.527 0.036 0.000 0.297 58 F C 2.296 178.124 175.800 0.048 0.000 1.094 58 F CA 0.932 58.898 58.000 -0.055 0.000 1.290 58 F CB -0.393 38.542 39.000 -0.109 0.000 1.017 58 F HN -0.045 nan 8.300 nan 0.000 0.483 59 A N 0.115 122.906 122.820 -0.048 0.000 1.865 59 A HA -0.220 4.122 4.320 0.036 0.000 0.217 59 A C 2.215 179.790 177.584 -0.015 0.000 1.191 59 A CA 2.733 54.738 52.037 -0.054 0.000 0.623 59 A CB -1.530 17.523 19.000 0.089 0.000 0.826 59 A HN 0.462 nan 8.150 nan 0.000 0.444 60 T N -0.176 114.394 114.554 0.027 0.000 2.674 60 T HA -0.137 4.235 4.350 0.036 0.000 0.265 60 T C 2.016 176.740 174.700 0.040 0.000 1.039 60 T CA 1.982 64.126 62.100 0.074 0.000 1.150 60 T CB -0.898 67.999 68.868 0.048 0.000 0.864 60 T HN 0.554 nan 8.240 nan 0.000 0.427 61 T N 1.885 116.419 114.554 -0.033 0.000 2.652 61 T HA -0.087 4.285 4.350 0.036 0.000 0.267 61 T C 1.582 176.268 174.700 -0.024 0.000 1.039 61 T CA 1.315 63.402 62.100 -0.022 0.000 1.153 61 T CB -0.637 68.215 68.868 -0.025 0.000 0.863 61 T HN 0.361 nan 8.240 nan 0.000 0.428 62 F N 0.661 120.366 119.950 -0.409 0.000 2.186 62 F HA -0.078 4.470 4.527 0.035 0.000 0.299 62 F C 2.184 177.834 175.800 -0.251 0.000 1.090 62 F CA 0.839 58.546 58.000 -0.489 0.000 1.307 62 F CB -0.426 37.901 39.000 -1.121 0.000 1.019 62 F HN 0.195 nan 8.300 nan 0.000 0.489 63 Y N 1.120 121.324 120.300 -0.160 0.000 2.224 63 Y HA -0.235 4.337 4.550 0.036 0.000 0.289 63 Y C 2.422 178.186 175.900 -0.228 0.000 1.146 63 Y CA 2.018 60.019 58.100 -0.165 0.000 1.182 63 Y CB -0.591 37.818 38.460 -0.085 0.000 0.983 63 Y HN 0.181 nan 8.280 nan 0.000 0.524 64 Q N -0.757 118.922 119.800 -0.201 0.000 2.030 64 Q HA -0.255 4.107 4.340 0.036 0.000 0.204 64 Q C 2.145 177.884 176.000 -0.434 0.000 0.986 64 Q CA 1.762 57.398 55.803 -0.278 0.000 0.843 64 Q CB -0.491 28.142 28.738 -0.174 0.000 0.904 64 Q HN 0.656 nan 8.270 nan 0.000 0.420 65 H N 0.336 119.142 119.070 -0.440 0.000 2.290 65 H HA -0.163 4.414 4.556 0.036 0.000 0.298 65 H C 2.312 177.302 175.328 -0.563 0.000 1.087 65 H CA 1.608 57.378 56.048 -0.463 0.000 1.291 65 H CB -0.257 29.198 29.762 -0.512 0.000 1.369 65 H HN 0.155 nan 8.280 nan 0.000 0.492 66 L N 1.076 121.901 121.223 -0.663 0.000 1.990 66 L HA -0.168 4.194 4.340 0.036 0.000 0.213 66 L C 2.615 179.133 176.870 -0.587 0.000 1.072 66 L CA 2.115 56.523 54.840 -0.720 0.000 0.755 66 L CB -0.963 40.572 42.059 -0.872 0.000 0.889 66 L HN 0.208 nan 8.230 nan 0.000 0.432 67 A N -1.192 121.209 122.820 -0.699 0.000 1.933 67 A HA -0.262 4.079 4.320 0.036 0.000 0.218 67 A C 2.083 179.459 177.584 -0.347 0.000 1.175 67 A CA 1.795 53.499 52.037 -0.555 0.000 0.628 67 A CB -0.997 17.582 19.000 -0.703 0.000 0.814 67 A HN 0.576 nan 8.150 nan 0.000 0.444 68 D N -0.068 120.131 120.400 -0.335 0.000 2.178 68 D HA -0.132 4.529 4.640 0.036 0.000 0.201 68 D C 2.149 178.330 176.300 -0.199 0.000 0.980 68 D CA 1.688 55.544 54.000 -0.240 0.000 0.842 68 D CB -0.008 40.639 40.800 -0.255 0.000 0.948 68 D HN 0.514 nan 8.370 nan 0.000 0.472 69 S N -1.433 114.132 115.700 -0.226 0.000 2.603 69 S HA 0.068 4.560 4.470 0.036 0.000 0.220 69 S C 0.713 175.217 174.600 -0.161 0.000 0.967 69 S CA -0.106 57.987 58.200 -0.178 0.000 0.920 69 S CB 0.118 63.203 63.200 -0.191 0.000 0.773 69 S HN -0.028 nan 8.310 nan 0.000 0.529 70 K N 2.179 122.471 120.400 -0.180 0.000 2.208 70 K HA 0.307 4.648 4.320 0.036 0.000 0.247 70 K C -0.665 175.872 176.600 -0.105 0.000 0.953 70 K CA -0.718 55.483 56.287 -0.142 0.000 0.837 70 K CB 1.069 33.466 32.500 -0.172 0.000 1.131 70 K HN 0.193 nan 8.250 nan 0.000 0.431 71 N N 1.723 120.381 118.700 -0.071 0.000 2.518 71 N HA -0.051 4.711 4.740 0.036 0.000 0.266 71 N C 0.033 175.516 175.510 -0.044 0.000 1.196 71 N CA 0.239 53.259 53.050 -0.050 0.000 0.947 71 N CB 0.885 39.353 38.487 -0.032 0.000 1.098 71 N HN 0.394 nan 8.380 nan 0.000 0.450 72 D N 1.583 121.963 120.400 -0.033 0.000 2.311 72 D HA -0.124 4.538 4.640 0.036 0.000 0.212 72 D C 0.488 176.786 176.300 -0.002 0.000 0.972 72 D CA 1.066 55.055 54.000 -0.019 0.000 0.887 72 D CB 0.090 40.884 40.800 -0.009 0.000 0.915 72 D HN 0.567 nan 8.370 nan 0.000 0.497 73 N N 0.908 119.608 118.700 -0.001 0.000 2.280 73 N HA -0.018 4.744 4.740 0.036 0.000 0.192 73 N C -0.309 175.196 175.510 -0.009 0.000 1.109 73 N CA 0.129 53.186 53.050 0.011 0.000 0.855 73 N CB 0.707 39.204 38.487 0.017 0.000 0.974 73 N HN 0.161 nan 8.380 nan 0.000 0.482 74 D N 1.114 121.502 120.400 -0.020 0.000 2.210 74 D HA 0.186 4.847 4.640 0.036 0.000 0.249 74 D C 0.266 176.545 176.300 -0.034 0.000 1.062 74 D CA -0.079 53.907 54.000 -0.024 0.000 0.891 74 D CB 1.034 41.819 40.800 -0.024 0.000 1.186 74 D HN -0.076 nan 8.370 nan 0.000 0.432 75 N N 1.015 119.693 118.700 -0.036 0.000 2.483 75 N HA 0.413 5.175 4.740 0.036 0.000 0.269 75 N C -0.191 175.338 175.510 0.031 0.000 1.209 75 N CA -0.075 52.947 53.050 -0.048 0.000 0.969 75 N CB 1.423 39.857 38.487 -0.087 0.000 1.173 75 N HN 0.339 nan 8.380 nan 0.000 0.475 76 I N 0.968 121.589 120.570 0.085 0.000 2.656 76 I HA 0.417 4.609 4.170 0.036 0.000 0.292 76 I C -1.338 174.995 176.117 0.360 0.000 1.144 76 I CA -0.673 60.735 61.300 0.179 0.000 1.038 76 I CB 1.951 40.028 38.000 0.128 0.000 1.244 76 I HN 0.303 nan 8.210 nan 0.000 0.420 77 F N 7.265 127.352 119.950 0.229 0.000 2.628 77 F HA 0.800 5.352 4.527 0.042 0.000 0.309 77 F C -1.641 174.417 175.800 0.431 0.000 1.108 77 F CA -0.615 57.548 58.000 0.272 0.000 0.971 77 F CB 1.740 40.862 39.000 0.203 0.000 1.279 77 F HN 0.359 nan 8.300 nan 0.000 0.441 78 L N 1.275 122.336 121.223 -0.269 0.000 3.119 78 L HA 0.724 5.085 4.340 0.036 0.000 0.283 78 L C -1.643 175.188 176.870 -0.065 0.000 1.028 78 L CA -0.902 53.980 54.840 0.069 0.000 0.975 78 L CB 1.637 43.831 42.059 0.226 0.000 1.543 78 L HN 0.489 nan 8.230 nan 0.000 0.390 79 S N -0.277 115.524 115.700 0.169 0.000 2.653 79 S HA 0.608 5.100 4.470 0.036 0.000 0.272 79 S C -2.145 172.464 174.600 0.016 0.000 1.221 79 S CA -1.233 56.965 58.200 -0.005 0.000 1.149 79 S CB 1.050 64.211 63.200 -0.064 0.000 1.029 79 S HN 0.599 nan 8.310 nan 0.000 0.481 80 P HA -0.090 nan 4.420 nan 0.000 0.218 80 P C 1.459 178.882 177.300 0.204 0.000 1.148 80 P CA 0.386 63.565 63.100 0.131 0.000 0.822 80 P CB 0.166 31.951 31.700 0.141 0.000 0.784 81 L N -0.481 120.812 121.223 0.117 0.000 2.027 81 L HA -0.120 4.242 4.340 0.036 0.000 0.206 81 L C 2.478 179.487 176.870 0.232 0.000 1.074 81 L CA 2.065 57.011 54.840 0.178 0.000 0.745 81 L CB -1.624 40.486 42.059 0.085 0.000 0.898 81 L HN -0.070 nan 8.230 nan 0.000 0.433 82 S N -0.421 115.383 115.700 0.173 0.000 2.359 82 S HA -0.247 4.245 4.470 0.036 0.000 0.222 82 S C 2.099 176.842 174.600 0.239 0.000 1.038 82 S CA 2.075 60.400 58.200 0.208 0.000 1.051 82 S CB -0.559 62.792 63.200 0.251 0.000 0.944 82 S HN 0.461 nan 8.310 nan 0.000 0.433 83 I N 1.142 121.892 120.570 0.301 0.000 2.163 83 I HA -0.173 4.019 4.170 0.036 0.000 0.243 83 I C 2.712 178.967 176.117 0.230 0.000 1.085 83 I CA 1.506 62.991 61.300 0.308 0.000 1.347 83 I CB -0.523 37.601 38.000 0.208 0.000 1.044 83 I HN 0.304 nan 8.210 nan 0.000 0.408 84 S N -0.083 115.736 115.700 0.199 0.000 2.382 84 S HA -0.171 4.321 4.470 0.036 0.000 0.228 84 S C 2.046 176.717 174.600 0.119 0.000 1.027 84 S CA 1.882 60.149 58.200 0.111 0.000 0.991 84 S CB -0.363 63.057 63.200 0.367 0.000 0.823 84 S HN 0.472 nan 8.310 nan 0.000 0.469 85 T N 2.224 116.872 114.554 0.156 0.000 2.777 85 T HA 0.005 4.377 4.350 0.036 0.000 0.266 85 T C 2.140 176.669 174.700 -0.285 0.000 1.040 85 T CA 1.133 63.143 62.100 -0.150 0.000 1.141 85 T CB -0.443 68.460 68.868 0.058 0.000 0.868 85 T HN 0.455 nan 8.240 nan 0.000 0.444 86 A N 1.159 123.898 122.820 -0.135 0.000 1.845 86 A HA -0.011 4.330 4.320 0.036 0.000 0.215 86 A C 1.911 179.262 177.584 -0.387 0.000 1.195 86 A CA 1.414 53.307 52.037 -0.241 0.000 0.616 86 A CB -1.083 17.832 19.000 -0.141 0.000 0.832 86 A HN 0.473 nan 8.150 nan 0.000 0.443 87 F N 0.167 119.871 119.950 -0.411 0.000 2.365 87 F HA 0.014 4.563 4.527 0.036 0.000 0.300 87 F C 2.631 178.172 175.800 -0.432 0.000 1.090 87 F CA 0.689 58.383 58.000 -0.510 0.000 1.408 87 F CB -0.299 38.126 39.000 -0.958 0.000 1.060 87 F HN 0.262 nan 8.300 nan 0.000 0.534 88 A N -0.471 122.190 122.820 -0.265 0.000 1.968 88 A HA -0.143 4.198 4.320 0.036 0.000 0.217 88 A C 2.237 179.661 177.584 -0.266 0.000 1.169 88 A CA 1.186 53.107 52.037 -0.193 0.000 0.638 88 A CB -0.592 18.192 19.000 -0.361 0.000 0.812 88 A HN 0.329 nan 8.150 nan 0.000 0.446 89 M N -0.677 118.583 119.600 -0.567 0.000 2.175 89 M HA -0.117 4.385 4.480 0.036 0.000 0.264 89 M C 2.155 178.292 176.300 -0.272 0.000 1.063 89 M CA 1.892 56.788 55.300 -0.673 0.000 1.119 89 M CB -0.321 31.828 32.600 -0.752 0.000 1.377 89 M HN 0.458 nan 8.290 nan 0.000 0.415 90 T N -0.154 114.253 114.554 -0.245 0.000 2.777 90 T HA -0.161 4.210 4.350 0.036 0.000 0.266 90 T C 1.684 176.341 174.700 -0.072 0.000 1.040 90 T CA 1.133 63.135 62.100 -0.163 0.000 1.141 90 T CB -0.244 68.454 68.868 -0.284 0.000 0.868 90 T HN 0.357 nan 8.240 nan 0.000 0.444 91 K N 0.921 121.304 120.400 -0.028 0.000 2.218 91 K HA -0.084 4.258 4.320 0.036 0.000 0.205 91 K C 2.124 178.771 176.600 0.078 0.000 1.046 91 K CA 0.919 57.243 56.287 0.061 0.000 0.933 91 K CB -0.401 32.182 32.500 0.139 0.000 0.728 91 K HN 0.328 nan 8.250 nan 0.000 0.454 92 L N -0.541 120.706 121.223 0.040 0.000 2.129 92 L HA -0.174 4.187 4.340 0.036 0.000 0.212 92 L C 2.061 178.952 176.870 0.034 0.000 1.087 92 L CA 1.528 56.352 54.840 -0.028 0.000 0.757 92 L CB -0.312 41.740 42.059 -0.012 0.000 0.896 92 L HN 0.394 nan 8.230 nan 0.000 0.434 93 G N -1.426 107.351 108.800 -0.039 0.000 3.277 93 G HA2 0.422 4.403 3.960 0.036 0.000 0.243 93 G HA3 0.422 4.403 3.960 0.036 0.000 0.243 93 G C 0.387 175.218 174.900 -0.115 0.000 1.107 93 G CA 0.336 45.336 45.100 -0.167 0.000 0.771 93 G HN 0.300 nan 8.290 nan 0.000 0.544 94 A N -0.546 122.241 122.820 -0.054 0.000 2.322 94 A HA 0.655 4.996 4.320 0.036 0.000 0.269 94 A C -0.295 177.286 177.584 -0.006 0.000 1.094 94 A CA -0.318 51.699 52.037 -0.033 0.000 0.807 94 A CB 0.863 19.858 19.000 -0.007 0.000 1.047 94 A HN 0.558 nan 8.150 nan 0.000 0.487 95 c N 1.107 119.703 118.600 -0.008 0.000 3.173 95 c HA 0.647 5.239 4.570 0.036 0.000 0.310 95 c C 0.532 174.627 174.090 0.009 0.000 1.306 95 c CA -0.003 56.331 56.329 0.008 0.000 1.426 95 c CB 0.048 42.559 42.510 0.002 0.000 1.800 95 c HN 1.276 nan 8.230 nan 0.000 0.470 96 N N 1.402 120.117 118.700 0.025 0.000 1.192 96 N HA -0.250 4.512 4.740 0.036 0.000 0.127 96 N C -0.010 175.501 175.510 0.003 0.000 0.811 96 N CA 1.710 54.775 53.050 0.026 0.000 0.897 96 N CB -0.753 37.745 38.487 0.019 0.000 1.110 96 N HN 0.853 nan 8.380 nan 0.000 0.573 97 D N -0.665 119.736 120.400 0.000 0.000 2.263 97 D HA -0.016 4.645 4.640 0.036 0.000 0.208 97 D C 1.593 177.877 176.300 -0.026 0.000 0.971 97 D CA 1.568 55.559 54.000 -0.014 0.000 0.867 97 D CB -0.284 40.516 40.800 0.001 0.000 0.929 97 D HN 0.394 nan 8.370 nan 0.000 0.492 98 T N 0.340 114.884 114.554 -0.017 0.000 2.812 98 T HA -0.093 4.279 4.350 0.036 0.000 0.264 98 T C 1.784 176.472 174.700 -0.020 0.000 1.042 98 T CA 0.389 62.480 62.100 -0.015 0.000 1.140 98 T CB -0.192 68.665 68.868 -0.017 0.000 0.870 98 T HN 0.067 nan 8.240 nan 0.000 0.445 99 L N 1.156 122.362 121.223 -0.028 0.000 2.056 99 L HA -0.015 4.346 4.340 0.036 0.000 0.207 99 L C 2.486 179.273 176.870 -0.138 0.000 1.078 99 L CA 1.803 56.624 54.840 -0.032 0.000 0.749 99 L CB -0.778 41.282 42.059 0.002 0.000 0.901 99 L HN 0.222 nan 8.230 nan 0.000 0.433 100 Q N -0.935 118.711 119.800 -0.255 0.000 1.990 100 Q HA -0.262 4.099 4.340 0.036 0.000 0.200 100 Q C 2.258 178.107 176.000 -0.252 0.000 0.980 100 Q CA 2.075 57.561 55.803 -0.529 0.000 0.832 100 Q CB -0.214 28.258 28.738 -0.445 0.000 0.897 100 Q HN 0.634 nan 8.270 nan 0.000 0.427 101 Q N 0.152 119.883 119.800 -0.114 0.000 2.118 101 Q HA -0.239 4.123 4.340 0.036 0.000 0.211 101 Q C 2.245 178.257 176.000 0.021 0.000 0.998 101 Q CA 1.895 57.678 55.803 -0.034 0.000 0.872 101 Q CB -0.248 28.490 28.738 0.001 0.000 0.925 101 Q HN 0.425 nan 8.270 nan 0.000 0.414 102 L N -0.416 120.843 121.223 0.060 0.000 1.994 102 L HA -0.236 4.126 4.340 0.036 0.000 0.208 102 L C 2.549 179.555 176.870 0.227 0.000 1.071 102 L CA 0.884 55.841 54.840 0.195 0.000 0.745 102 L CB -0.415 41.743 42.059 0.165 0.000 0.892 102 L HN 0.372 nan 8.230 nan 0.000 0.431 103 M N -0.425 119.257 119.600 0.138 0.000 2.082 103 M HA -0.250 4.251 4.480 0.036 0.000 0.258 103 M C 2.174 178.555 176.300 0.134 0.000 1.069 103 M CA 1.895 57.321 55.300 0.210 0.000 1.102 103 M CB -1.054 31.588 32.600 0.070 0.000 1.336 103 M HN 0.307 nan 8.290 nan 0.000 0.404 104 E N -0.471 119.749 120.200 0.033 0.000 2.028 104 E HA -0.137 4.235 4.350 0.036 0.000 0.191 104 E C 2.112 178.705 176.600 -0.012 0.000 0.988 104 E CA 1.266 57.683 56.400 0.029 0.000 0.799 104 E CB -0.184 29.519 29.700 0.005 0.000 0.755 104 E HN 0.251 nan 8.360 nan 0.000 0.447 105 V N 0.720 120.607 119.914 -0.045 0.000 2.332 105 V HA -0.223 3.919 4.120 0.036 0.000 0.248 105 V C 1.484 177.375 176.094 -0.339 0.000 1.055 105 V CA 1.566 63.761 62.300 -0.174 0.000 1.038 105 V CB -0.412 31.259 31.823 -0.254 0.000 0.651 105 V HN 0.194 nan 8.190 nan 0.000 0.450 106 F N 0.334 120.082 119.950 -0.337 0.000 2.701 106 F HA 0.282 4.830 4.527 0.036 0.000 0.295 106 F C 1.236 176.604 175.800 -0.720 0.000 1.165 106 F CA -0.385 57.192 58.000 -0.704 0.000 1.399 106 F CB -0.325 38.011 39.000 -1.107 0.000 0.996 106 F HN -0.007 nan 8.300 nan 0.000 0.513 107 K N -1.437 118.845 120.400 -0.196 0.000 3.013 107 K HA -0.272 4.069 4.320 0.036 0.000 0.275 107 K C 0.839 177.445 176.600 0.010 0.000 1.086 107 K CA 0.789 57.035 56.287 -0.069 0.000 0.814 107 K CB -2.417 30.071 32.500 -0.019 0.000 1.212 107 K HN 0.333 nan 8.250 nan 0.000 0.468 108 F N 1.672 121.719 119.950 0.162 0.000 2.234 108 F HA -0.109 4.440 4.527 0.036 0.000 0.299 108 F C 2.316 178.213 175.800 0.162 0.000 1.087 108 F CA 1.500 59.592 58.000 0.153 0.000 1.340 108 F CB -0.493 38.598 39.000 0.151 0.000 1.031 108 F HN 0.216 nan 8.300 nan 0.000 0.500 109 D N -0.045 120.557 120.400 0.336 0.000 2.384 109 D HA -0.158 4.503 4.640 0.036 0.000 0.222 109 D C 1.380 177.811 176.300 0.219 0.000 0.976 109 D CA 1.453 55.640 54.000 0.311 0.000 0.915 109 D CB -1.090 39.904 40.800 0.324 0.000 0.896 109 D HN 0.386 nan 8.370 nan 0.000 0.523 110 T N -1.367 113.296 114.554 0.181 0.000 3.312 110 T HA 0.264 4.635 4.350 0.036 0.000 0.251 110 T C 0.858 175.633 174.700 0.126 0.000 1.012 110 T CA -0.563 61.614 62.100 0.127 0.000 0.925 110 T CB -0.875 68.046 68.868 0.088 0.000 1.049 110 T HN 0.153 nan 8.240 nan 0.000 0.583 111 I N 2.107 122.774 120.570 0.161 0.000 2.620 111 I HA 0.226 4.417 4.170 0.036 0.000 0.280 111 I C 0.055 176.256 176.117 0.140 0.000 1.143 111 I CA -0.770 60.621 61.300 0.152 0.000 1.163 111 I CB 0.549 38.675 38.000 0.210 0.000 1.461 111 I HN 0.130 nan 8.210 nan 0.000 0.530 112 S N 4.269 120.031 115.700 0.104 0.000 3.805 112 S HA -0.173 4.319 4.470 0.036 0.000 0.456 112 S C 1.025 175.671 174.600 0.077 0.000 1.125 112 S CA 0.810 59.059 58.200 0.081 0.000 0.905 112 S CB -0.256 62.983 63.200 0.065 0.000 0.653 112 S HN 0.782 nan 8.310 nan 0.000 0.483 113 E N -0.632 119.598 120.200 0.051 0.000 2.971 113 E HA -0.244 4.128 4.350 0.036 0.000 0.271 113 E C -0.443 176.186 176.600 0.047 0.000 1.053 113 E CA 0.887 57.304 56.400 0.029 0.000 0.817 113 E CB -0.551 29.166 29.700 0.028 0.000 1.410 113 E HN 0.398 nan 8.360 nan 0.000 0.445 114 K N 1.183 121.635 120.400 0.088 0.000 2.201 114 K HA 0.241 4.583 4.320 0.036 0.000 0.278 114 K C 0.033 176.679 176.600 0.076 0.000 1.027 114 K CA -0.195 56.163 56.287 0.118 0.000 0.909 114 K CB 1.302 33.941 32.500 0.233 0.000 1.062 114 K HN -0.073 nan 8.250 nan 0.000 0.465 115 T N 1.495 116.071 114.554 0.038 0.000 2.870 115 T HA -0.034 4.338 4.350 0.036 0.000 0.300 115 T C 1.683 176.417 174.700 0.057 0.000 0.989 115 T CA -0.006 62.113 62.100 0.031 0.000 1.139 115 T CB 0.672 69.545 68.868 0.009 0.000 0.920 115 T HN 0.646 nan 8.240 nan 0.000 0.537 116 S N 2.575 118.356 115.700 0.136 0.000 2.432 116 S HA -0.296 4.196 4.470 0.036 0.000 0.243 116 S C 1.649 176.288 174.600 0.066 0.000 1.069 116 S CA 1.963 60.249 58.200 0.144 0.000 1.047 116 S CB -0.508 62.831 63.200 0.231 0.000 0.854 116 S HN 0.906 nan 8.310 nan 0.000 0.474 117 D N 0.687 121.145 120.400 0.097 0.000 2.277 117 D HA -0.124 4.537 4.640 0.036 0.000 0.208 117 D C 1.849 178.161 176.300 0.019 0.000 0.962 117 D CA 0.876 54.976 54.000 0.166 0.000 0.865 117 D CB -0.502 40.355 40.800 0.094 0.000 0.939 117 D HN 0.562 nan 8.370 nan 0.000 0.510 118 Q N -0.080 119.626 119.800 -0.157 0.000 2.119 118 Q HA -0.026 4.336 4.340 0.036 0.000 0.201 118 Q C 2.143 177.697 176.000 -0.743 0.000 0.972 118 Q CA 0.579 56.100 55.803 -0.469 0.000 0.847 118 Q CB -0.120 28.323 28.738 -0.492 0.000 0.903 118 Q HN 0.165 nan 8.270 nan 0.000 0.433 119 I N 0.564 120.866 120.570 -0.447 0.000 2.229 119 I HA -0.344 3.847 4.170 0.036 0.000 0.250 119 I C 1.989 177.926 176.117 -0.300 0.000 1.096 119 I CA 1.666 62.753 61.300 -0.356 0.000 1.358 119 I CB -0.469 37.194 38.000 -0.560 0.000 1.047 119 I HN 0.351 nan 8.210 nan 0.000 0.422 120 H N -1.865 117.152 119.070 -0.089 0.000 2.389 120 H HA -0.139 4.439 4.556 0.036 0.000 0.299 120 H C 2.151 177.472 175.328 -0.012 0.000 1.081 120 H CA 1.580 57.629 56.048 0.002 0.000 1.345 120 H CB -0.559 29.214 29.762 0.018 0.000 1.393 120 H HN 0.341 nan 8.280 nan 0.000 0.520 121 F N 1.209 121.092 119.950 -0.112 0.000 2.146 121 F HA -0.137 4.413 4.527 0.037 0.000 0.298 121 F C 2.179 178.018 175.800 0.065 0.000 1.096 121 F CA 0.997 58.945 58.000 -0.087 0.000 1.275 121 F CB -0.717 38.172 39.000 -0.185 0.000 1.008 121 F HN -0.039 nan 8.300 nan 0.000 0.480 122 F N -1.219 118.768 119.950 0.063 0.000 2.075 122 F HA -0.246 4.303 4.527 0.036 0.000 0.297 122 F C 2.454 178.191 175.800 -0.104 0.000 1.113 122 F CA 1.014 58.983 58.000 -0.052 0.000 1.218 122 F CB -1.025 37.971 39.000 -0.007 0.000 0.984 122 F HN -0.070 nan 8.300 nan 0.000 0.472 123 F N 0.619 120.597 119.950 0.046 0.000 2.250 123 F HA -0.258 4.291 4.527 0.036 0.000 0.301 123 F C 2.401 178.110 175.800 -0.151 0.000 1.077 123 F CA 0.784 58.761 58.000 -0.038 0.000 1.348 123 F CB -0.233 38.739 39.000 -0.046 0.000 1.040 123 F HN -0.062 nan 8.300 nan 0.000 0.509 124 A N -0.067 122.734 122.820 -0.031 0.000 1.873 124 A HA -0.170 4.172 4.320 0.036 0.000 0.215 124 A C 2.249 179.747 177.584 -0.143 0.000 1.186 124 A CA 1.345 53.278 52.037 -0.174 0.000 0.616 124 A CB -0.416 18.419 19.000 -0.275 0.000 0.823 124 A HN 0.126 nan 8.150 nan 0.000 0.442 125 K N -0.455 119.819 120.400 -0.210 0.000 2.057 125 K HA -0.114 4.228 4.320 0.036 0.000 0.207 125 K C 1.912 178.465 176.600 -0.078 0.000 1.049 125 K CA 1.284 57.470 56.287 -0.169 0.000 0.931 125 K CB -0.995 31.395 32.500 -0.183 0.000 0.714 125 K HN 0.446 nan 8.250 nan 0.000 0.440 126 L N 2.086 123.272 121.223 -0.061 0.000 2.042 126 L HA -0.184 4.178 4.340 0.036 0.000 0.210 126 L C 1.529 178.380 176.870 -0.033 0.000 1.076 126 L CA 1.827 56.624 54.840 -0.072 0.000 0.749 126 L CB -0.822 41.142 42.059 -0.159 0.000 0.893 126 L HN 0.227 nan 8.230 nan 0.000 0.432 127 N N -1.539 117.206 118.700 0.075 0.000 2.120 127 N HA -0.215 4.547 4.740 0.036 0.000 0.188 127 N C 1.856 177.436 175.510 0.115 0.000 1.024 127 N CA 1.490 54.654 53.050 0.189 0.000 0.852 127 N CB -0.287 38.376 38.487 0.293 0.000 1.003 127 N HN 0.444 nan 8.380 nan 0.000 0.424 128 c N 0.816 119.443 118.600 0.046 0.000 2.413 128 c HA -0.079 4.513 4.570 0.036 0.000 0.278 128 c C 2.655 176.743 174.090 -0.003 0.000 1.224 128 c CA 0.631 56.979 56.329 0.032 0.000 1.732 128 c CB -1.038 41.467 42.510 -0.009 0.000 2.050 128 c HN 0.419 nan 8.230 nan 0.000 0.463 129 R N 0.714 121.189 120.500 -0.042 0.000 2.094 129 R HA -0.091 4.270 4.340 0.036 0.000 0.239 129 R C 2.098 178.326 176.300 -0.120 0.000 1.137 129 R CA 1.451 57.517 56.100 -0.057 0.000 0.943 129 R CB -0.858 29.411 30.300 -0.051 0.000 0.850 129 R HN 0.530 nan 8.270 nan 0.000 0.433 130 L N -1.071 119.998 121.223 -0.258 0.000 1.989 130 L HA -0.197 4.164 4.340 0.036 0.000 0.211 130 L C 0.786 177.330 176.870 -0.543 0.000 1.071 130 L CA 1.332 55.865 54.840 -0.511 0.000 0.749 130 L CB -0.308 41.197 42.059 -0.922 0.000 0.890 130 L HN 0.288 nan 8.230 nan 0.000 0.431 131 Y N -0.075 120.266 120.300 0.067 0.000 2.928 131 Y HA 0.150 4.721 4.550 0.035 0.000 0.390 131 Y C 1.702 177.635 175.900 0.055 0.000 1.101 131 Y CA -0.700 57.443 58.100 0.071 0.000 1.777 131 Y CB -0.505 38.000 38.460 0.075 0.000 1.720 131 Y HN 0.128 nan 8.280 nan 0.000 0.484 132 R N 1.484 122.031 120.500 0.078 0.000 2.103 132 R HA -0.237 4.125 4.340 0.036 0.000 0.242 132 R C 1.273 177.623 176.300 0.083 0.000 1.142 132 R CA 1.791 57.931 56.100 0.065 0.000 0.960 132 R CB -0.284 30.038 30.300 0.038 0.000 0.858 132 R HN 0.366 nan 8.270 nan 0.000 0.439 133 K N -0.423 120.037 120.400 0.100 0.000 3.407 133 K HA -0.220 4.122 4.320 0.036 0.000 0.312 133 K C 0.159 176.798 176.600 0.064 0.000 1.302 133 K CA 0.449 56.790 56.287 0.089 0.000 0.931 133 K CB -1.406 31.146 32.500 0.088 0.000 1.257 133 K HN 0.534 nan 8.250 nan 0.000 0.454 134 A N 1.014 123.869 122.820 0.057 0.000 2.275 134 A HA 0.092 4.433 4.320 0.036 0.000 0.276 134 A C 0.451 178.061 177.584 0.044 0.000 1.232 134 A CA 0.687 52.751 52.037 0.045 0.000 0.814 134 A CB -0.070 18.954 19.000 0.041 0.000 1.145 134 A HN 0.461 nan 8.150 nan 0.000 0.508 135 N N 0.162 118.885 118.700 0.037 0.000 3.027 135 N HA 0.070 4.832 4.740 0.036 0.000 0.309 135 N C -0.554 174.981 175.510 0.041 0.000 1.222 135 N CA 0.269 53.340 53.050 0.035 0.000 1.187 135 N CB -0.410 38.095 38.487 0.029 0.000 1.458 135 N HN 0.333 nan 8.380 nan 0.000 0.535 136 K N -0.549 119.880 120.400 0.048 0.000 2.211 136 K HA 0.255 4.596 4.320 0.036 0.000 0.237 136 K C 0.710 177.342 176.600 0.053 0.000 1.002 136 K CA -0.589 55.732 56.287 0.057 0.000 0.885 136 K CB 1.276 33.819 32.500 0.070 0.000 1.136 136 K HN 0.067 nan 8.250 nan 0.000 0.448 137 S N -0.433 115.304 115.700 0.061 0.000 2.499 137 S HA 0.094 4.586 4.470 0.036 0.000 0.225 137 S C 0.372 174.994 174.600 0.036 0.000 1.050 137 S CA 0.167 58.397 58.200 0.050 0.000 0.928 137 S CB 0.277 63.514 63.200 0.062 0.000 0.803 137 S HN 0.507 nan 8.310 nan 0.000 0.506 138 S N 1.651 117.389 115.700 0.063 0.000 2.610 138 S HA 0.392 4.883 4.470 0.036 0.000 0.273 138 S C -0.516 174.108 174.600 0.040 0.000 1.274 138 S CA -0.461 57.756 58.200 0.028 0.000 1.023 138 S CB 1.259 64.552 63.200 0.155 0.000 0.962 138 S HN 0.360 nan 8.310 nan 0.000 0.523 139 K N 2.015 122.391 120.400 -0.040 0.000 2.307 139 K HA 0.504 4.845 4.320 0.036 0.000 0.263 139 K C -1.761 174.949 176.600 0.184 0.000 0.973 139 K CA -0.590 55.732 56.287 0.058 0.000 0.846 139 K CB 0.646 33.167 32.500 0.035 0.000 1.100 139 K HN 0.370 nan 8.250 nan 0.000 0.438 140 L N 5.760 127.149 121.223 0.278 0.000 2.415 140 L HA 0.393 4.755 4.340 0.036 0.000 0.268 140 L C -1.636 175.504 176.870 0.450 0.000 0.984 140 L CA -0.559 54.520 54.840 0.397 0.000 0.853 140 L CB 1.677 43.945 42.059 0.349 0.000 1.215 140 L HN 0.341 nan 8.230 nan 0.000 0.419 141 V N 2.651 122.802 119.914 0.395 0.000 2.864 141 V HA 0.781 4.922 4.120 0.036 0.000 0.314 141 V C -0.251 175.838 176.094 -0.009 0.000 1.073 141 V CA -0.609 61.818 62.300 0.213 0.000 0.956 141 V CB 2.042 33.955 31.823 0.150 0.000 1.023 141 V HN 0.715 nan 8.190 nan 0.000 0.435 142 S N 1.522 116.982 115.700 -0.400 0.000 2.536 142 S HA 0.887 5.379 4.470 0.036 0.000 0.287 142 S C -0.876 173.576 174.600 -0.247 0.000 1.101 142 S CA 0.016 57.919 58.200 -0.495 0.000 0.950 142 S CB 1.664 64.078 63.200 -1.310 0.000 1.056 142 S HN 1.394 nan 8.310 nan 0.000 0.481 143 A N 4.093 126.863 122.820 -0.083 0.000 2.476 143 A HA 0.658 5.000 4.320 0.036 0.000 0.280 143 A C -1.323 176.417 177.584 0.261 0.000 1.081 143 A CA -0.854 51.224 52.037 0.069 0.000 0.753 143 A CB 0.834 19.808 19.000 -0.042 0.000 1.248 143 A HN 0.715 nan 8.150 nan 0.000 0.424 144 N N 1.719 120.532 118.700 0.189 0.000 2.362 144 N HA 0.670 5.431 4.740 0.036 0.000 0.298 144 N C -0.518 174.954 175.510 -0.064 0.000 1.048 144 N CA -0.404 52.697 53.050 0.085 0.000 0.858 144 N CB 2.267 40.745 38.487 -0.015 0.000 1.218 144 N HN 0.786 nan 8.380 nan 0.000 0.488 145 R N 1.689 122.020 120.500 -0.282 0.000 2.584 145 R HA 0.429 4.791 4.340 0.036 0.000 0.276 145 R C -1.530 174.345 176.300 -0.709 0.000 1.046 145 R CA -0.572 55.118 56.100 -0.682 0.000 0.906 145 R CB 1.237 30.686 30.300 -1.418 0.000 1.215 145 R HN 0.454 nan 8.270 nan 0.000 0.449 146 L N 4.734 125.533 121.223 -0.706 0.000 2.275 146 L HA 0.468 4.830 4.340 0.036 0.000 0.288 146 L C -0.878 175.578 176.870 -0.690 0.000 1.046 146 L CA -0.462 54.049 54.840 -0.550 0.000 0.805 146 L CB 0.998 42.770 42.059 -0.478 0.000 1.193 146 L HN 0.560 nan 8.230 nan 0.000 0.426 147 F N 1.779 121.615 119.950 -0.190 0.000 2.311 147 F HA 0.501 5.049 4.527 0.036 0.000 0.371 147 F C 0.879 176.743 175.800 0.108 0.000 1.083 147 F CA -0.556 57.392 58.000 -0.087 0.000 1.113 147 F CB 1.455 40.466 39.000 0.018 0.000 1.349 147 F HN 0.429 nan 8.300 nan 0.000 0.470 148 G N 1.474 110.341 108.800 0.111 0.000 2.441 148 G HA2 0.191 4.173 3.960 0.036 0.000 0.334 148 G HA3 0.191 4.173 3.960 0.036 0.000 0.334 148 G C -1.319 173.789 174.900 0.347 0.000 1.161 148 G CA -0.596 44.716 45.100 0.354 0.000 0.935 148 G HN 0.428 nan 8.290 nan 0.000 0.488 149 D N 0.782 121.475 120.400 0.489 0.000 2.401 149 D HA -0.019 4.642 4.640 0.036 0.000 0.254 149 D C 1.706 178.098 176.300 0.153 0.000 1.192 149 D CA -0.200 53.942 54.000 0.237 0.000 0.885 149 D CB 0.985 41.968 40.800 0.305 0.000 1.147 149 D HN 0.580 nan 8.370 nan 0.000 0.478 150 K N 1.747 122.167 120.400 0.034 0.000 2.189 150 K HA -0.255 4.087 4.320 0.036 0.000 0.207 150 K C 1.569 178.193 176.600 0.041 0.000 1.046 150 K CA 1.935 58.239 56.287 0.030 0.000 0.928 150 K CB -0.237 32.251 32.500 -0.019 0.000 0.720 150 K HN 0.325 nan 8.250 nan 0.000 0.458 151 S N 1.040 116.759 115.700 0.031 0.000 2.387 151 S HA -0.003 4.488 4.470 0.036 0.000 0.226 151 S C 1.200 175.790 174.600 -0.017 0.000 1.026 151 S CA -0.052 58.153 58.200 0.008 0.000 0.972 151 S CB -0.505 62.698 63.200 0.005 0.000 0.814 151 S HN 0.257 nan 8.310 nan 0.000 0.477 152 L N 2.411 123.613 121.223 -0.035 0.000 2.473 152 L HA 0.256 4.618 4.340 0.036 0.000 0.268 152 L C 0.336 177.098 176.870 -0.180 0.000 1.215 152 L CA -0.019 54.705 54.840 -0.193 0.000 0.823 152 L CB 0.608 42.404 42.059 -0.438 0.000 1.099 152 L HN 0.374 nan 8.230 nan 0.000 0.483 153 T N -0.870 113.531 114.554 -0.254 0.000 2.893 153 T HA 0.473 4.845 4.350 0.036 0.000 0.324 153 T C -0.442 174.159 174.700 -0.165 0.000 1.082 153 T CA -0.629 61.404 62.100 -0.111 0.000 0.983 153 T CB -0.069 68.761 68.868 -0.064 0.000 1.005 153 T HN 0.098 nan 8.240 nan 0.000 0.475 154 F N 2.507 122.461 119.950 0.008 0.000 2.410 154 F HA 0.342 4.891 4.527 0.037 0.000 0.334 154 F C 1.331 177.151 175.800 0.034 0.000 1.134 154 F CA -0.964 57.052 58.000 0.027 0.000 1.227 154 F CB 0.519 39.562 39.000 0.072 0.000 1.194 154 F HN 0.533 nan 8.300 nan 0.000 0.571 155 N N 2.360 121.198 118.700 0.230 0.000 2.292 155 N HA -0.113 4.649 4.740 0.036 0.000 0.258 155 N C 0.855 176.466 175.510 0.168 0.000 1.261 155 N CA 0.401 53.543 53.050 0.152 0.000 0.845 155 N CB 0.527 39.097 38.487 0.139 0.000 1.064 155 N HN 0.702 nan 8.380 nan 0.000 0.471 156 E N 2.239 122.495 120.200 0.094 0.000 2.031 156 E HA -0.153 4.218 4.350 0.036 0.000 0.193 156 E C 1.352 177.980 176.600 0.046 0.000 0.994 156 E CA 1.722 58.158 56.400 0.060 0.000 0.800 156 E CB -0.238 29.481 29.700 0.032 0.000 0.752 156 E HN 0.697 nan 8.360 nan 0.000 0.447 157 T N 0.912 115.496 114.554 0.051 0.000 2.699 157 T HA -0.228 4.143 4.350 0.036 0.000 0.268 157 T C 1.677 176.402 174.700 0.041 0.000 1.036 157 T CA 1.542 63.662 62.100 0.034 0.000 1.147 157 T CB -0.518 68.373 68.868 0.037 0.000 0.862 157 T HN 0.236 nan 8.240 nan 0.000 0.446 158 Y N 1.660 121.941 120.300 -0.032 0.000 2.145 158 Y HA -0.178 4.393 4.550 0.036 0.000 0.286 158 Y C 2.712 178.569 175.900 -0.072 0.000 1.145 158 Y CA 1.614 59.683 58.100 -0.052 0.000 1.148 158 Y CB -0.561 37.887 38.460 -0.020 0.000 0.981 158 Y HN 0.218 nan 8.280 nan 0.000 0.507 159 Q N -0.094 119.653 119.800 -0.088 0.000 1.993 159 Q HA -0.230 4.131 4.340 0.036 0.000 0.202 159 Q C 1.755 177.629 176.000 -0.211 0.000 0.984 159 Q CA 2.187 57.871 55.803 -0.199 0.000 0.837 159 Q CB -0.210 28.488 28.738 -0.066 0.000 0.902 159 Q HN 0.463 nan 8.270 nan 0.000 0.423 160 D N 0.277 120.606 120.400 -0.118 0.000 2.103 160 D HA -0.197 4.465 4.640 0.036 0.000 0.190 160 D C 1.839 178.071 176.300 -0.113 0.000 0.997 160 D CA 1.353 55.296 54.000 -0.095 0.000 0.833 160 D CB -0.214 40.556 40.800 -0.051 0.000 0.961 160 D HN 0.275 nan 8.370 nan 0.000 0.447 161 I N 0.608 121.105 120.570 -0.122 0.000 2.226 161 I HA -0.181 4.011 4.170 0.036 0.000 0.245 161 I C 2.265 178.309 176.117 -0.121 0.000 1.100 161 I CA 0.993 62.227 61.300 -0.109 0.000 1.374 161 I CB -1.086 36.850 38.000 -0.105 0.000 1.057 161 I HN -0.080 nan 8.210 nan 0.000 0.413 162 S N 0.200 115.740 115.700 -0.265 0.000 2.402 162 S HA -0.245 4.246 4.470 0.036 0.000 0.233 162 S C 1.922 176.450 174.600 -0.121 0.000 1.030 162 S CA 1.600 59.637 58.200 -0.272 0.000 1.003 162 S CB -0.202 62.624 63.200 -0.623 0.000 0.813 162 S HN 0.531 nan 8.310 nan 0.000 0.477 163 E N 0.399 120.510 120.200 -0.148 0.000 2.060 163 E HA -0.048 4.324 4.350 0.036 0.000 0.189 163 E C 2.121 178.682 176.600 -0.066 0.000 0.974 163 E CA 0.506 56.843 56.400 -0.106 0.000 0.808 163 E CB -0.171 29.458 29.700 -0.120 0.000 0.768 163 E HN 0.320 nan 8.360 nan 0.000 0.453 164 L N 0.762 121.945 121.223 -0.066 0.000 2.042 164 L HA -0.124 4.238 4.340 0.036 0.000 0.210 164 L C 2.073 178.896 176.870 -0.079 0.000 1.076 164 L CA 1.516 56.323 54.840 -0.055 0.000 0.749 164 L CB -0.302 41.732 42.059 -0.042 0.000 0.893 164 L HN 0.079 nan 8.230 nan 0.000 0.432 165 V N -1.850 117.995 119.914 -0.115 0.000 2.825 165 V HA -0.106 4.035 4.120 0.036 0.000 0.246 165 V C 1.198 176.989 176.094 -0.506 0.000 1.068 165 V CA 1.096 63.215 62.300 -0.301 0.000 1.088 165 V CB -0.375 31.218 31.823 -0.383 0.000 0.733 165 V HN 0.468 nan 8.190 nan 0.000 0.468 166 Y N -0.309 119.935 120.300 -0.092 0.000 2.527 166 Y HA 0.510 5.082 4.550 0.036 0.000 0.247 166 Y C 1.811 177.656 175.900 -0.091 0.000 1.138 166 Y CA 0.176 58.219 58.100 -0.096 0.000 1.228 166 Y CB 0.427 38.791 38.460 -0.161 0.000 1.252 166 Y HN 0.216 nan 8.280 nan 0.000 0.531 167 G N 1.174 109.986 108.800 0.020 0.000 2.233 167 G HA2 -0.247 3.735 3.960 0.036 0.000 0.270 167 G HA3 -0.247 3.735 3.960 0.036 0.000 0.270 167 G C 0.269 175.149 174.900 -0.034 0.000 1.011 167 G CA 0.258 45.352 45.100 -0.011 0.000 0.762 167 G HN 0.629 nan 8.290 nan 0.000 0.511 168 A N -0.045 122.734 122.820 -0.069 0.000 2.320 168 A HA 0.665 5.007 4.320 0.036 0.000 0.287 168 A C 0.640 178.086 177.584 -0.230 0.000 1.181 168 A CA -0.238 51.700 52.037 -0.166 0.000 0.831 168 A CB 0.685 19.549 19.000 -0.226 0.000 1.102 168 A HN 0.228 nan 8.150 nan 0.000 0.513 169 K N 1.529 121.763 120.400 -0.276 0.000 2.090 169 K HA 0.347 4.688 4.320 0.036 0.000 0.249 169 K C -0.758 175.595 176.600 -0.411 0.000 0.995 169 K CA -0.673 55.441 56.287 -0.289 0.000 0.914 169 K CB 1.574 33.928 32.500 -0.245 0.000 1.057 169 K HN 0.576 nan 8.250 nan 0.000 0.462 170 L N 2.964 123.969 121.223 -0.363 0.000 2.360 170 L HA 0.210 4.572 4.340 0.036 0.000 0.265 170 L C -0.469 176.189 176.870 -0.353 0.000 1.066 170 L CA -0.124 54.468 54.840 -0.414 0.000 0.929 170 L CB 0.536 42.370 42.059 -0.374 0.000 1.306 170 L HN 0.626 nan 8.230 nan 0.000 0.434 171 Q N 5.886 125.417 119.800 -0.448 0.000 2.294 171 Q HA 0.376 4.737 4.340 0.036 0.000 0.257 171 Q C -2.285 173.603 176.000 -0.186 0.000 0.955 171 Q CA -1.622 53.994 55.803 -0.311 0.000 0.936 171 Q CB 1.396 29.902 28.738 -0.386 0.000 1.188 171 Q HN 0.425 nan 8.270 nan 0.000 0.420 172 P HA 0.169 nan 4.420 nan 0.000 0.276 172 P C -1.036 176.195 177.300 -0.114 0.000 1.235 172 P CA 0.164 63.218 63.100 -0.077 0.000 0.772 172 P CB 0.664 32.336 31.700 -0.047 0.000 0.871 173 L N 2.078 123.170 121.223 -0.219 0.000 2.350 173 L HA 0.466 4.827 4.340 0.036 0.000 0.260 173 L C -0.153 176.431 176.870 -0.476 0.000 1.015 173 L CA -0.814 53.783 54.840 -0.403 0.000 0.821 173 L CB 2.281 43.932 42.059 -0.681 0.000 1.370 173 L HN 0.206 nan 8.230 nan 0.000 0.416 174 D N 0.115 120.285 120.400 -0.384 0.000 2.499 174 D HA 0.267 4.928 4.640 0.036 0.000 0.225 174 D C 0.408 176.594 176.300 -0.190 0.000 1.124 174 D CA -0.059 53.806 54.000 -0.224 0.000 0.938 174 D CB 0.338 41.073 40.800 -0.109 0.000 1.014 174 D HN 0.271 nan 8.370 nan 0.000 0.517 175 F N 1.544 121.503 119.950 0.016 0.000 2.293 175 F HA 0.040 4.588 4.527 0.036 0.000 0.297 175 F C 2.251 178.053 175.800 0.003 0.000 1.089 175 F CA 0.233 58.237 58.000 0.007 0.000 1.377 175 F CB 0.207 39.216 39.000 0.015 0.000 1.051 175 F HN 0.210 nan 8.300 nan 0.000 0.511 176 K N 0.090 120.593 120.400 0.172 0.000 2.026 176 K HA -0.154 4.188 4.320 0.036 0.000 0.208 176 K C 1.760 178.399 176.600 0.064 0.000 1.048 176 K CA 1.417 57.762 56.287 0.097 0.000 0.929 176 K CB -0.089 32.449 32.500 0.062 0.000 0.713 176 K HN 0.209 nan 8.250 nan 0.000 0.439 177 E N 0.304 120.529 120.200 0.043 0.000 2.083 177 E HA 0.022 4.394 4.350 0.036 0.000 0.193 177 E C 0.471 177.087 176.600 0.026 0.000 0.950 177 E CA 0.653 57.068 56.400 0.025 0.000 0.849 177 E CB -0.148 29.557 29.700 0.008 0.000 0.827 177 E HN 0.313 nan 8.360 nan 0.000 0.465 178 N N 1.549 120.256 118.700 0.012 0.000 3.131 178 N HA 0.299 5.061 4.740 0.036 0.000 0.312 178 N C 0.739 176.266 175.510 0.028 0.000 1.433 178 N CA -0.008 53.047 53.050 0.007 0.000 1.141 178 N CB 0.952 39.428 38.487 -0.019 0.000 1.431 178 N HN 0.047 nan 8.380 nan 0.000 0.523 179 A N 1.068 123.939 122.820 0.085 0.000 1.873 179 A HA -0.265 4.076 4.320 0.036 0.000 0.218 179 A C 2.204 179.853 177.584 0.109 0.000 1.193 179 A CA 1.551 53.691 52.037 0.172 0.000 0.629 179 A CB -0.324 18.773 19.000 0.161 0.000 0.826 179 A HN 0.374 nan 8.150 nan 0.000 0.447 180 E N -0.287 119.947 120.200 0.056 0.000 2.058 180 E HA -0.261 4.111 4.350 0.036 0.000 0.194 180 E C 2.179 178.785 176.600 0.010 0.000 0.997 180 E CA 1.938 58.355 56.400 0.028 0.000 0.801 180 E CB -0.393 29.316 29.700 0.016 0.000 0.746 180 E HN 0.739 nan 8.360 nan 0.000 0.450 181 Q N -0.623 119.177 119.800 -0.000 0.000 2.170 181 Q HA -0.102 4.260 4.340 0.036 0.000 0.203 181 Q C 2.004 177.980 176.000 -0.040 0.000 0.976 181 Q CA 1.639 57.430 55.803 -0.020 0.000 0.858 181 Q CB -0.084 28.639 28.738 -0.025 0.000 0.907 181 Q HN 0.188 nan 8.270 nan 0.000 0.433 182 S N 0.218 115.891 115.700 -0.044 0.000 2.387 182 S HA -0.113 4.378 4.470 0.036 0.000 0.226 182 S C 1.724 176.291 174.600 -0.055 0.000 1.026 182 S CA 1.079 59.218 58.200 -0.102 0.000 0.972 182 S CB -0.205 62.872 63.200 -0.205 0.000 0.814 182 S HN 0.403 nan 8.310 nan 0.000 0.477 183 R N 1.429 121.938 120.500 0.014 0.000 2.081 183 R HA -0.031 4.330 4.340 0.036 0.000 0.235 183 R C 2.280 178.543 176.300 -0.061 0.000 1.131 183 R CA 1.351 57.446 56.100 -0.010 0.000 0.960 183 R CB -0.469 29.838 30.300 0.012 0.000 0.856 183 R HN 0.350 nan 8.270 nan 0.000 0.436 184 A N 0.724 123.518 122.820 -0.044 0.000 1.969 184 A HA -0.052 4.290 4.320 0.036 0.000 0.218 184 A C 2.345 179.899 177.584 -0.049 0.000 1.169 184 A CA 1.496 53.509 52.037 -0.039 0.000 0.635 184 A CB -0.689 18.296 19.000 -0.025 0.000 0.810 184 A HN 0.559 nan 8.150 nan 0.000 0.445 185 A N 0.325 123.101 122.820 -0.073 0.000 1.865 185 A HA -0.116 4.226 4.320 0.036 0.000 0.217 185 A C 2.126 179.637 177.584 -0.123 0.000 1.191 185 A CA 1.579 53.575 52.037 -0.068 0.000 0.623 185 A CB -0.647 18.301 19.000 -0.087 0.000 0.826 185 A HN 0.498 nan 8.150 nan 0.000 0.444 186 I N -0.178 120.180 120.570 -0.353 0.000 2.076 186 I HA -0.343 3.849 4.170 0.036 0.000 0.237 186 I C 2.364 178.409 176.117 -0.119 0.000 1.059 186 I CA 1.938 62.891 61.300 -0.578 0.000 1.317 186 I CB -0.912 36.659 38.000 -0.715 0.000 1.037 186 I HN 0.469 nan 8.210 nan 0.000 0.398 187 N N 0.727 119.377 118.700 -0.084 0.000 2.049 187 N HA -0.310 4.452 4.740 0.036 0.000 0.198 187 N C 1.927 177.456 175.510 0.033 0.000 1.030 187 N CA 1.725 54.768 53.050 -0.013 0.000 0.870 187 N CB -0.216 38.254 38.487 -0.029 0.000 1.045 187 N HN 0.321 nan 8.380 nan 0.000 0.434 188 K N 0.039 120.459 120.400 0.034 0.000 2.147 188 K HA -0.203 4.139 4.320 0.036 0.000 0.205 188 K C 1.908 178.572 176.600 0.107 0.000 1.049 188 K CA 1.164 57.480 56.287 0.048 0.000 0.936 188 K CB -0.154 32.371 32.500 0.042 0.000 0.722 188 K HN 0.329 nan 8.250 nan 0.000 0.446 189 W N 0.678 121.970 121.300 -0.013 0.000 2.409 189 W HA -0.148 4.535 4.660 0.038 0.000 0.299 189 W C 1.631 178.170 176.519 0.034 0.000 1.203 189 W CA 0.966 58.338 57.345 0.044 0.000 1.298 189 W CB -0.171 29.394 29.460 0.175 0.000 1.127 189 W HN -0.200 nan 8.180 nan 0.000 0.528 190 V N -0.037 120.054 119.914 0.295 0.000 2.343 190 V HA -0.323 3.819 4.120 0.036 0.000 0.247 190 V C 2.470 178.520 176.094 -0.074 0.000 1.051 190 V CA 2.161 64.529 62.300 0.115 0.000 1.036 190 V CB -1.325 30.602 31.823 0.174 0.000 0.654 190 V HN 0.286 nan 8.190 nan 0.000 0.451 191 S N 0.251 115.923 115.700 -0.046 0.000 2.365 191 S HA -0.299 4.192 4.470 0.036 0.000 0.225 191 S C 2.114 176.611 174.600 -0.173 0.000 1.039 191 S CA 2.213 60.358 58.200 -0.092 0.000 1.033 191 S CB -0.638 62.523 63.200 -0.065 0.000 0.887 191 S HN 0.733 nan 8.310 nan 0.000 0.447 192 N N 0.512 119.087 118.700 -0.207 0.000 2.120 192 N HA -0.124 4.637 4.740 0.036 0.000 0.188 192 N C 1.339 176.624 175.510 -0.375 0.000 1.024 192 N CA 1.156 54.043 53.050 -0.272 0.000 0.852 192 N CB -0.213 38.114 38.487 -0.267 0.000 1.003 192 N HN 0.246 nan 8.380 nan 0.000 0.424 193 K N 0.192 120.289 120.400 -0.505 0.000 2.365 193 K HA -0.015 4.326 4.320 0.036 0.000 0.199 193 K C 1.182 177.583 176.600 -0.331 0.000 1.045 193 K CA 0.948 56.931 56.287 -0.508 0.000 0.962 193 K CB -0.383 31.662 32.500 -0.759 0.000 0.759 193 K HN 0.483 nan 8.250 nan 0.000 0.469 194 T N -1.087 113.306 114.554 -0.269 0.000 3.293 194 T HA 0.150 4.522 4.350 0.036 0.000 0.276 194 T C -0.260 174.239 174.700 -0.334 0.000 1.003 194 T CA -0.437 61.563 62.100 -0.166 0.000 0.916 194 T CB 0.123 69.013 68.868 0.037 0.000 1.134 194 T HN -0.010 nan 8.240 nan 0.000 0.530 195 E N 0.985 120.885 120.200 -0.501 0.000 2.328 195 E HA -0.261 4.110 4.350 0.036 0.000 0.233 195 E C 1.287 177.729 176.600 -0.264 0.000 1.219 195 E CA 1.086 57.224 56.400 -0.436 0.000 0.717 195 E CB -2.211 27.116 29.700 -0.621 0.000 1.210 195 E HN 1.191 nan 8.360 nan 0.000 0.381 196 G N 0.077 108.748 108.800 -0.215 0.000 2.196 196 G HA2 -0.448 3.534 3.960 0.036 0.000 0.268 196 G HA3 -0.448 3.534 3.960 0.036 0.000 0.268 196 G C 1.064 175.841 174.900 -0.204 0.000 0.975 196 G CA 0.841 45.838 45.100 -0.172 0.000 0.648 196 G HN 0.323 nan 8.290 nan 0.000 0.538 197 R N -0.375 119.976 120.500 -0.248 0.000 2.153 197 R HA 0.168 4.530 4.340 0.036 0.000 0.218 197 R C 1.058 177.227 176.300 -0.218 0.000 1.072 197 R CA 0.729 56.553 56.100 -0.461 0.000 0.990 197 R CB -0.032 29.863 30.300 -0.675 0.000 0.889 197 R HN 0.463 nan 8.270 nan 0.000 0.452 198 I N 2.327 122.858 120.570 -0.065 0.000 2.359 198 I HA 0.111 4.302 4.170 0.036 0.000 0.284 198 I C 1.211 177.322 176.117 -0.011 0.000 1.018 198 I CA -0.166 61.145 61.300 0.018 0.000 1.173 198 I CB 1.225 39.271 38.000 0.076 0.000 1.326 198 I HN 0.051 nan 8.210 nan 0.000 0.462 199 T N 1.327 115.875 114.554 -0.010 0.000 3.178 199 T HA 0.128 4.499 4.350 0.036 0.000 0.184 199 T C 0.601 175.295 174.700 -0.009 0.000 0.752 199 T CA -0.029 62.060 62.100 -0.018 0.000 2.066 199 T CB -0.074 68.779 68.868 -0.025 0.000 2.261 199 T HN 0.409 nan 8.240 nan 0.000 0.422 200 D N 2.977 123.368 120.400 -0.016 0.000 2.736 200 D HA 0.153 4.815 4.640 0.036 0.000 0.228 200 D C 1.923 178.200 176.300 -0.039 0.000 1.077 200 D CA 0.038 54.020 54.000 -0.029 0.000 1.096 200 D CB 0.284 41.062 40.800 -0.036 0.000 1.138 200 D HN 0.417 nan 8.370 nan 0.000 0.461 201 V N -0.823 119.080 119.914 -0.018 0.000 2.278 201 V HA -0.245 3.897 4.120 0.036 0.000 0.251 201 V C 1.317 177.371 176.094 -0.067 0.000 1.062 201 V CA 1.195 63.487 62.300 -0.013 0.000 1.038 201 V CB -0.754 31.087 31.823 0.030 0.000 0.646 201 V HN 0.262 nan 8.190 nan 0.000 0.447 202 I N 1.950 122.475 120.570 -0.075 0.000 2.342 202 I HA 0.369 4.561 4.170 0.036 0.000 0.291 202 I C -2.531 173.474 176.117 -0.187 0.000 1.010 202 I CA -2.091 59.131 61.300 -0.131 0.000 1.308 202 I CB 1.083 39.051 38.000 -0.054 0.000 1.400 202 I HN 0.076 nan 8.210 nan 0.000 0.488 203 P HA 0.056 nan 4.420 nan 0.000 0.271 203 P C 0.825 178.043 177.300 -0.137 0.000 1.226 203 P CA -0.178 62.765 63.100 -0.262 0.000 0.765 203 P CB 0.961 32.407 31.700 -0.423 0.000 0.835 204 S N 3.898 119.548 115.700 -0.084 0.000 2.393 204 S HA -0.348 4.144 4.470 0.036 0.000 0.234 204 S C 1.645 176.228 174.600 -0.028 0.000 1.064 204 S CA 2.091 60.264 58.200 -0.044 0.000 1.088 204 S CB -1.202 61.980 63.200 -0.030 0.000 0.939 204 S HN 0.581 nan 8.310 nan 0.000 0.448 205 E N 3.627 123.810 120.200 -0.029 0.000 2.065 205 E HA -0.030 4.342 4.350 0.036 0.000 0.201 205 E C 1.236 177.845 176.600 0.015 0.000 1.016 205 E CA 1.168 57.567 56.400 -0.001 0.000 0.818 205 E CB -1.199 28.506 29.700 0.009 0.000 0.749 205 E HN 0.835 nan 8.360 nan 0.000 0.453 206 A N 1.001 123.832 122.820 0.018 0.000 2.325 206 A HA 0.364 4.706 4.320 0.036 0.000 0.260 206 A C 0.412 178.000 177.584 0.006 0.000 1.133 206 A CA 0.178 52.247 52.037 0.053 0.000 0.801 206 A CB -0.160 18.922 19.000 0.137 0.000 1.092 206 A HN 0.468 nan 8.150 nan 0.000 0.504 207 I N -0.021 120.532 120.570 -0.028 0.000 8.603 207 I HA -0.282 3.910 4.170 0.036 0.000 0.126 207 I C 0.093 176.192 176.117 -0.030 0.000 1.853 207 I CA 1.105 62.353 61.300 -0.086 0.000 2.050 207 I CB -1.254 36.719 38.000 -0.044 0.000 3.850 207 I HN 1.141 nan 8.210 nan 0.000 0.173 208 N N 2.896 121.568 118.700 -0.048 0.000 3.364 208 N HA 0.381 5.143 4.740 0.036 0.000 0.294 208 N C 0.163 175.694 175.510 0.035 0.000 1.562 208 N CA -0.885 52.173 53.050 0.014 0.000 0.862 208 N CB 0.793 39.284 38.487 0.007 0.000 1.691 208 N HN 0.284 nan 8.380 nan 0.000 0.572 209 E N 0.277 120.508 120.200 0.051 0.000 2.130 209 E HA -0.131 4.240 4.350 0.036 0.000 0.196 209 E C 1.566 178.192 176.600 0.043 0.000 0.998 209 E CA 1.504 57.944 56.400 0.065 0.000 0.806 209 E CB -0.389 29.338 29.700 0.045 0.000 0.738 209 E HN 0.445 nan 8.360 nan 0.000 0.459 210 L N 0.614 121.840 121.223 0.003 0.000 2.201 210 L HA -0.016 4.346 4.340 0.036 0.000 0.212 210 L C 0.771 177.597 176.870 -0.073 0.000 1.105 210 L CA 1.019 55.845 54.840 -0.023 0.000 0.775 210 L CB -1.190 40.855 42.059 -0.023 0.000 0.913 210 L HN -0.070 nan 8.230 nan 0.000 0.440 211 T N 0.086 114.561 114.554 -0.132 0.000 2.871 211 T HA 0.172 4.544 4.350 0.036 0.000 0.296 211 T C 1.320 175.866 174.700 -0.258 0.000 0.998 211 T CA 0.627 62.535 62.100 -0.320 0.000 1.162 211 T CB 1.158 69.648 68.868 -0.630 0.000 0.947 211 T HN 0.171 nan 8.240 nan 0.000 0.536 212 V N 1.641 121.436 119.914 -0.198 0.000 3.359 212 V HA 0.568 4.709 4.120 0.036 0.000 0.245 212 V C 0.013 176.228 176.094 0.203 0.000 1.247 212 V CA -0.085 62.245 62.300 0.050 0.000 1.145 212 V CB 0.082 31.901 31.823 -0.006 0.000 0.906 212 V HN 0.535 nan 8.190 nan 0.000 0.464 213 L N 0.679 121.909 121.223 0.012 0.000 2.445 213 L HA 0.835 5.197 4.340 0.036 0.000 0.262 213 L C -1.349 175.506 176.870 -0.025 0.000 0.974 213 L CA -0.582 54.337 54.840 0.132 0.000 0.822 213 L CB 2.379 44.550 42.059 0.188 0.000 1.339 213 L HN -0.062 nan 8.230 nan 0.000 0.409 214 V N 5.761 125.733 119.914 0.096 0.000 2.398 214 V HA 0.410 4.551 4.120 0.036 0.000 0.282 214 V C -0.335 175.837 176.094 0.129 0.000 1.014 214 V CA -0.439 61.907 62.300 0.077 0.000 0.838 214 V CB 1.501 33.397 31.823 0.121 0.000 1.018 214 V HN 0.734 nan 8.190 nan 0.000 0.432 215 L N 5.990 127.216 121.223 0.005 0.000 2.312 215 L HA 0.789 5.150 4.340 0.036 0.000 0.281 215 L C -0.938 175.923 176.870 -0.015 0.000 1.070 215 L CA -0.048 54.758 54.840 -0.057 0.000 0.805 215 L CB 1.467 43.435 42.059 -0.151 0.000 1.174 215 L HN 0.442 nan 8.230 nan 0.000 0.434 216 V N 4.908 124.822 119.914 0.001 0.000 2.777 216 V HA 0.436 4.578 4.120 0.036 0.000 0.306 216 V C -0.934 175.210 176.094 0.085 0.000 1.112 216 V CA -0.828 61.522 62.300 0.083 0.000 0.917 216 V CB 2.270 34.235 31.823 0.236 0.000 1.018 216 V HN 0.814 nan 8.190 nan 0.000 0.426 217 N N 2.438 121.191 118.700 0.087 0.000 2.354 217 N HA 0.630 5.392 4.740 0.036 0.000 0.287 217 N C -0.723 174.863 175.510 0.127 0.000 1.016 217 N CA -0.454 52.652 53.050 0.094 0.000 0.871 217 N CB 2.736 41.245 38.487 0.037 0.000 1.299 217 N HN 0.776 nan 8.380 nan 0.000 0.482 218 T N -0.718 113.922 114.554 0.142 0.000 2.887 218 T HA 0.727 5.099 4.350 0.036 0.000 0.288 218 T C -0.145 174.618 174.700 0.105 0.000 1.021 218 T CA -0.659 61.513 62.100 0.120 0.000 1.000 218 T CB 1.318 70.236 68.868 0.083 0.000 1.034 218 T HN 0.297 nan 8.240 nan 0.000 0.467 219 I N 2.115 122.793 120.570 0.180 0.000 2.582 219 I HA 0.498 4.690 4.170 0.036 0.000 0.292 219 I C -1.675 174.701 176.117 0.433 0.000 1.066 219 I CA -1.183 60.263 61.300 0.242 0.000 1.053 219 I CB 2.523 40.627 38.000 0.173 0.000 1.241 219 I HN 0.799 nan 8.210 nan 0.000 0.421 220 Y N 7.071 127.552 120.300 0.302 0.000 2.361 220 Y HA 0.553 5.124 4.550 0.035 0.000 0.328 220 Y C -1.888 174.228 175.900 0.360 0.000 1.044 220 Y CA -0.977 57.306 58.100 0.306 0.000 1.085 220 Y CB 1.659 40.192 38.460 0.122 0.000 1.194 220 Y HN 0.444 nan 8.280 nan 0.000 0.438 221 F N 6.795 126.465 119.950 -0.468 0.000 2.556 221 F HA 0.719 5.268 4.527 0.037 0.000 0.314 221 F C -1.771 173.658 175.800 -0.617 0.000 1.106 221 F CA -0.671 57.120 58.000 -0.347 0.000 0.911 221 F CB 1.570 40.561 39.000 -0.016 0.000 1.190 221 F HN 0.455 nan 8.300 nan 0.000 0.448 222 K N 4.253 123.790 120.400 -1.439 0.000 2.535 222 K HA 0.705 5.047 4.320 0.036 0.000 0.250 222 K C -1.342 174.477 176.600 -1.301 0.000 0.948 222 K CA -0.767 54.750 56.287 -1.283 0.000 0.796 222 K CB 1.925 34.118 32.500 -0.513 0.000 1.216 222 K HN 1.022 nan 8.250 nan 0.000 0.432 223 G N 3.084 111.104 108.800 -1.300 0.000 2.690 223 G HA2 0.559 4.541 3.960 0.036 0.000 0.291 223 G HA3 0.559 4.541 3.960 0.036 0.000 0.291 223 G C -1.525 173.159 174.900 -0.360 0.000 1.403 223 G CA -0.808 43.846 45.100 -0.743 0.000 0.864 223 G HN 0.436 nan 8.290 nan 0.000 0.480 224 L N -0.188 120.994 121.223 -0.068 0.000 2.331 224 L HA 0.469 4.831 4.340 0.036 0.000 0.275 224 L C -0.417 176.573 176.870 0.199 0.000 1.022 224 L CA -0.892 53.956 54.840 0.012 0.000 0.812 224 L CB 1.918 44.007 42.059 0.049 0.000 1.257 224 L HN 0.590 nan 8.230 nan 0.000 0.435 225 W N 2.240 123.707 121.300 0.280 0.000 2.308 225 W HA 0.055 4.729 4.660 0.024 0.000 0.324 225 W C 1.475 178.053 176.519 0.099 0.000 1.387 225 W CA -0.182 57.262 57.345 0.164 0.000 1.250 225 W CB 0.591 30.137 29.460 0.143 0.000 1.257 225 W HN 0.582 nan 8.180 nan 0.000 0.554 226 K N 1.636 122.239 120.400 0.337 0.000 2.283 226 K HA -0.134 4.208 4.320 0.036 0.000 0.202 226 K C 0.708 177.371 176.600 0.105 0.000 1.048 226 K CA 1.092 57.489 56.287 0.184 0.000 0.948 226 K CB 0.101 32.681 32.500 0.134 0.000 0.742 226 K HN 0.253 nan 8.250 nan 0.000 0.458 227 S N 1.552 117.318 115.700 0.111 0.000 2.259 227 S HA 0.196 4.687 4.470 0.036 0.000 0.181 227 S C -1.168 173.378 174.600 -0.089 0.000 1.589 227 S CA -0.971 57.201 58.200 -0.046 0.000 1.234 227 S CB 0.173 63.267 63.200 -0.178 0.000 1.119 227 S HN 0.112 nan 8.310 nan 0.000 0.458 228 K N 2.209 122.616 120.400 0.012 0.000 2.600 228 K HA -0.055 4.287 4.320 0.036 0.000 0.280 228 K C -0.610 175.922 176.600 -0.113 0.000 0.971 228 K CA 0.864 57.184 56.287 0.055 0.000 1.053 228 K CB -0.067 32.485 32.500 0.086 0.000 0.856 228 K HN 0.556 nan 8.250 nan 0.000 0.495 229 F N 0.618 120.583 119.950 0.024 0.000 2.388 229 F HA 0.074 4.622 4.527 0.035 0.000 0.358 229 F C 1.052 176.877 175.800 0.041 0.000 1.122 229 F CA -0.462 57.520 58.000 -0.029 0.000 1.056 229 F CB 1.619 40.574 39.000 -0.074 0.000 1.155 229 F HN 0.364 nan 8.300 nan 0.000 0.461 230 S N 5.694 121.517 115.700 0.206 0.000 2.510 230 S HA 0.153 4.644 4.470 0.036 0.000 0.279 230 S C -1.537 173.165 174.600 0.170 0.000 1.284 230 S CA -1.224 57.073 58.200 0.161 0.000 1.059 230 S CB 0.920 64.193 63.200 0.121 0.000 0.901 230 S HN 0.354 nan 8.310 nan 0.000 0.491 231 P HA -0.143 nan 4.420 nan 0.000 0.216 231 P C 0.991 178.349 177.300 0.097 0.000 1.150 231 P CA 1.262 64.428 63.100 0.111 0.000 0.843 231 P CB 0.043 31.797 31.700 0.089 0.000 0.787 232 E N -0.864 119.391 120.200 0.090 0.000 2.273 232 E HA -0.187 4.185 4.350 0.036 0.000 0.198 232 E C 1.009 177.657 176.600 0.081 0.000 1.002 232 E CA 0.857 57.301 56.400 0.075 0.000 0.828 232 E CB -0.559 29.181 29.700 0.066 0.000 0.747 232 E HN 0.430 nan 8.360 nan 0.000 0.491 233 N N 0.274 119.046 118.700 0.119 0.000 2.236 233 N HA 0.001 4.763 4.740 0.036 0.000 0.196 233 N C -0.039 175.550 175.510 0.132 0.000 1.114 233 N CA 0.239 53.368 53.050 0.131 0.000 0.859 233 N CB 0.664 39.300 38.487 0.249 0.000 0.982 233 N HN -0.067 nan 8.380 nan 0.000 0.493 234 T N 2.436 117.061 114.554 0.118 0.000 2.888 234 T HA 0.238 4.610 4.350 0.036 0.000 0.301 234 T C 0.504 175.249 174.700 0.074 0.000 1.001 234 T CA 0.280 62.438 62.100 0.096 0.000 1.147 234 T CB 0.677 69.585 68.868 0.067 0.000 0.931 234 T HN 0.090 nan 8.240 nan 0.000 0.541 235 R N 1.846 122.394 120.500 0.080 0.000 2.774 235 R HA 0.412 4.774 4.340 0.036 0.000 0.272 235 R C -0.835 175.505 176.300 0.066 0.000 1.000 235 R CA -1.296 54.841 56.100 0.061 0.000 0.906 235 R CB 1.312 31.640 30.300 0.047 0.000 1.227 235 R HN 0.294 nan 8.270 nan 0.000 0.468 236 K N 2.082 122.512 120.400 0.051 0.000 2.355 236 K HA 0.196 4.538 4.320 0.036 0.000 0.270 236 K C -0.253 176.381 176.600 0.057 0.000 1.003 236 K CA 0.434 56.752 56.287 0.052 0.000 0.957 236 K CB 0.507 33.028 32.500 0.036 0.000 0.939 236 K HN 0.577 nan 8.250 nan 0.000 0.482 237 E N 1.149 121.391 120.200 0.070 0.000 2.390 237 E HA 0.268 4.640 4.350 0.036 0.000 0.280 237 E C -0.763 175.887 176.600 0.084 0.000 0.992 237 E CA -0.716 55.728 56.400 0.075 0.000 0.790 237 E CB 1.803 31.559 29.700 0.093 0.000 1.248 237 E HN 0.249 nan 8.360 nan 0.000 0.447 238 L N 2.148 123.409 121.223 0.065 0.000 2.380 238 L HA 0.350 4.712 4.340 0.036 0.000 0.273 238 L C -0.369 176.538 176.870 0.062 0.000 1.138 238 L CA -0.161 54.662 54.840 -0.028 0.000 0.832 238 L CB 0.239 42.169 42.059 -0.214 0.000 1.124 238 L HN 0.403 nan 8.230 nan 0.000 0.454 239 F N 2.878 122.753 119.950 -0.126 0.000 2.444 239 F HA 0.396 4.944 4.527 0.036 0.000 0.342 239 F C -0.773 174.959 175.800 -0.113 0.000 1.121 239 F CA -0.633 57.378 58.000 0.018 0.000 0.997 239 F CB 0.895 39.914 39.000 0.032 0.000 1.130 239 F HN 0.173 nan 8.300 nan 0.000 0.454 240 Y N 5.466 125.460 120.300 -0.510 0.000 2.518 240 Y HA 0.356 4.927 4.550 0.036 0.000 0.344 240 Y C 0.421 176.166 175.900 -0.258 0.000 0.982 240 Y CA -0.925 57.007 58.100 -0.280 0.000 1.234 240 Y CB 0.249 38.566 38.460 -0.238 0.000 1.114 240 Y HN 0.491 nan 8.280 nan 0.000 0.515 241 K N 1.168 121.614 120.400 0.077 0.000 2.185 241 K HA 0.225 4.567 4.320 0.036 0.000 0.245 241 K C 1.115 177.757 176.600 0.070 0.000 1.035 241 K CA 0.605 56.976 56.287 0.139 0.000 0.847 241 K CB 0.319 32.893 32.500 0.123 0.000 1.056 241 K HN 0.717 nan 8.250 nan 0.000 0.518 242 A N 1.043 123.904 122.820 0.067 0.000 2.218 242 A HA -0.048 4.294 4.320 0.036 0.000 0.209 242 A C 0.561 178.162 177.584 0.027 0.000 1.168 242 A CA 0.964 53.023 52.037 0.037 0.000 0.804 242 A CB -0.415 18.604 19.000 0.032 0.000 0.834 242 A HN 0.743 nan 8.150 nan 0.000 0.482 243 D N -1.744 118.676 120.400 0.033 0.000 2.395 243 D HA 0.272 4.934 4.640 0.036 0.000 0.226 243 D C 1.075 177.389 176.300 0.024 0.000 1.146 243 D CA 0.415 54.428 54.000 0.022 0.000 0.830 243 D CB -0.679 40.133 40.800 0.020 0.000 0.958 243 D HN 0.525 nan 8.370 nan 0.000 0.501 244 G N -0.320 108.500 108.800 0.034 0.000 2.168 244 G HA2 -0.280 3.701 3.960 0.036 0.000 0.263 244 G HA3 -0.280 3.701 3.960 0.036 0.000 0.263 244 G C 0.112 175.039 174.900 0.046 0.000 0.977 244 G CA 0.336 45.462 45.100 0.043 0.000 0.659 244 G HN 0.409 nan 8.290 nan 0.000 0.533 245 E N -0.142 120.075 120.200 0.028 0.000 2.259 245 E HA 0.783 5.155 4.350 0.036 0.000 0.257 245 E C 0.021 176.576 176.600 -0.075 0.000 0.998 245 E CA -0.448 55.947 56.400 -0.009 0.000 0.866 245 E CB 1.617 31.313 29.700 -0.007 0.000 1.220 245 E HN 0.130 nan 8.360 nan 0.000 0.415 246 S N -0.449 115.158 115.700 -0.156 0.000 2.689 246 S HA 0.750 5.242 4.470 0.036 0.000 0.306 246 S C -0.662 173.848 174.600 -0.149 0.000 1.104 246 S CA -0.583 57.427 58.200 -0.316 0.000 0.973 246 S CB 1.100 63.976 63.200 -0.541 0.000 1.121 246 S HN 0.691 nan 8.310 nan 0.000 0.523 247 c N -0.397 118.130 118.600 -0.122 0.000 3.307 247 c HA 0.762 5.354 4.570 0.036 0.000 0.333 247 c C -0.275 173.812 174.090 -0.003 0.000 1.291 247 c CA -1.028 55.281 56.329 -0.034 0.000 1.273 247 c CB 0.724 43.239 42.510 0.009 0.000 1.580 247 c HN 0.642 nan 8.230 nan 0.000 0.481 248 S N 1.032 116.733 115.700 0.001 0.000 2.474 248 S HA 0.681 5.173 4.470 0.036 0.000 0.276 248 S C 0.196 174.818 174.600 0.037 0.000 1.227 248 S CA 0.457 58.669 58.200 0.019 0.000 1.050 248 S CB -0.123 63.083 63.200 0.010 0.000 0.939 248 S HN 1.716 nan 8.310 nan 0.000 0.490 249 A N 3.929 126.790 122.820 0.068 0.000 2.384 249 A HA 0.746 5.088 4.320 0.036 0.000 0.312 249 A C -0.254 177.378 177.584 0.080 0.000 1.113 249 A CA -0.717 51.362 52.037 0.069 0.000 0.779 249 A CB 1.418 20.476 19.000 0.096 0.000 1.307 249 A HN 0.643 nan 8.150 nan 0.000 0.436 250 S N 2.131 117.874 115.700 0.072 0.000 2.416 250 S HA 0.347 4.838 4.470 0.036 0.000 0.287 250 S C -0.161 174.490 174.600 0.084 0.000 1.139 250 S CA -0.207 58.033 58.200 0.068 0.000 1.058 250 S CB -0.117 63.112 63.200 0.048 0.000 0.967 250 S HN 0.542 nan 8.310 nan 0.000 0.495 251 M N 4.271 123.931 119.600 0.101 0.000 2.113 251 M HA 0.363 4.865 4.480 0.036 0.000 0.352 251 M C -0.153 176.205 176.300 0.097 0.000 1.170 251 M CA 0.045 55.423 55.300 0.129 0.000 1.053 251 M CB 0.749 33.469 32.600 0.200 0.000 1.601 251 M HN 0.494 nan 8.290 nan 0.000 0.459 252 M N 3.329 122.913 119.600 -0.028 0.000 2.255 252 M HA 0.317 4.819 4.480 0.036 0.000 0.336 252 M C -0.808 175.549 176.300 0.096 0.000 1.135 252 M CA -0.289 54.929 55.300 -0.137 0.000 1.145 252 M CB 0.936 33.067 32.600 -0.781 0.000 1.473 252 M HN 0.559 nan 8.290 nan 0.000 0.462 253 Y N 1.923 122.327 120.300 0.174 0.000 2.534 253 Y HA 0.536 5.104 4.550 0.029 0.000 0.345 253 Y C -1.223 174.784 175.900 0.179 0.000 1.031 253 Y CA -0.532 57.647 58.100 0.131 0.000 1.022 253 Y CB 1.706 40.172 38.460 0.009 0.000 1.292 253 Y HN 0.766 nan 8.280 nan 0.000 0.459 254 Q N 3.125 122.351 119.800 -0.956 0.000 2.721 254 Q HA 0.438 4.799 4.340 0.036 0.000 0.282 254 Q C -2.299 173.233 176.000 -0.780 0.000 0.932 254 Q CA -1.069 54.256 55.803 -0.796 0.000 0.816 254 Q CB 2.045 30.392 28.738 -0.653 0.000 1.506 254 Q HN 0.754 nan 8.270 nan 0.000 0.399 255 E N 0.160 120.083 120.200 -0.462 0.000 2.238 255 E HA 0.831 5.203 4.350 0.036 0.000 0.267 255 E C -0.558 175.958 176.600 -0.140 0.000 0.887 255 E CA -0.826 55.418 56.400 -0.260 0.000 0.769 255 E CB 2.226 31.818 29.700 -0.181 0.000 1.187 255 E HN 0.907 nan 8.360 nan 0.000 0.416 256 G N 1.468 110.233 108.800 -0.058 0.000 2.317 256 G HA2 0.158 4.140 3.960 0.036 0.000 0.293 256 G HA3 0.158 4.140 3.960 0.036 0.000 0.293 256 G C -1.531 173.207 174.900 -0.270 0.000 1.287 256 G CA -1.005 43.971 45.100 -0.207 0.000 0.850 256 G HN 0.258 nan 8.290 nan 0.000 0.515 257 K N -0.124 119.963 120.400 -0.521 0.000 2.227 257 K HA 0.666 5.007 4.320 0.036 0.000 0.280 257 K C -1.373 174.773 176.600 -0.757 0.000 1.041 257 K CA -0.076 55.957 56.287 -0.424 0.000 0.905 257 K CB 1.038 33.367 32.500 -0.285 0.000 1.068 257 K HN 0.289 nan 8.250 nan 0.000 0.470 258 F N 0.428 120.298 119.950 -0.133 0.000 2.613 258 F HA 0.379 4.927 4.527 0.034 0.000 0.310 258 F C 0.191 175.962 175.800 -0.049 0.000 1.085 258 F CA -1.191 56.738 58.000 -0.117 0.000 0.945 258 F CB 1.392 40.285 39.000 -0.180 0.000 1.298 258 F HN 0.135 nan 8.300 nan 0.000 0.455 259 R N 1.748 122.350 120.500 0.170 0.000 2.316 259 R HA 0.305 4.667 4.340 0.036 0.000 0.314 259 R C -1.366 175.037 176.300 0.172 0.000 1.069 259 R CA -0.168 56.006 56.100 0.124 0.000 0.959 259 R CB 0.680 31.027 30.300 0.078 0.000 0.987 259 R HN 0.766 nan 8.270 nan 0.000 0.446 260 Y N 1.748 122.046 120.300 -0.002 0.000 2.644 260 Y HA 0.575 5.147 4.550 0.036 0.000 0.338 260 Y C -1.331 174.551 175.900 -0.031 0.000 1.119 260 Y CA -1.291 56.790 58.100 -0.031 0.000 1.060 260 Y CB 2.005 40.445 38.460 -0.033 0.000 1.294 260 Y HN 0.536 nan 8.280 nan 0.000 0.472 261 R N 2.738 122.664 120.500 -0.957 0.000 2.764 261 R HA 0.316 4.677 4.340 0.036 0.000 0.250 261 R C -2.383 173.368 176.300 -0.915 0.000 1.122 261 R CA -0.650 55.034 56.100 -0.694 0.000 1.022 261 R CB 1.093 31.197 30.300 -0.326 0.000 1.266 261 R HN 0.845 nan 8.270 nan 0.000 0.454 262 R N 4.324 124.491 120.500 -0.555 0.000 2.196 262 R HA 0.466 4.828 4.340 0.036 0.000 0.340 262 R C 0.059 176.180 176.300 -0.297 0.000 1.043 262 R CA -0.374 55.507 56.100 -0.365 0.000 0.883 262 R CB 0.574 30.811 30.300 -0.105 0.000 1.078 262 R HN 0.548 nan 8.270 nan 0.000 0.462 263 V N 1.599 121.269 119.914 -0.406 0.000 3.488 263 V HA 0.702 4.844 4.120 0.036 0.000 0.291 263 V C 0.472 176.469 176.094 -0.161 0.000 1.163 263 V CA -0.814 61.271 62.300 -0.358 0.000 0.971 263 V CB 0.533 31.815 31.823 -0.901 0.000 1.245 263 V HN 0.831 nan 8.190 nan 0.000 0.456 264 A N -0.467 122.359 122.820 0.010 0.000 2.624 264 A HA 0.105 4.447 4.320 0.036 0.000 0.231 264 A C 0.741 178.341 177.584 0.026 0.000 1.034 264 A CA 0.992 53.078 52.037 0.083 0.000 0.754 264 A CB -1.284 17.846 19.000 0.215 0.000 0.953 264 A HN 1.287 nan 8.150 nan 0.000 0.509 265 E N 0.381 120.596 120.200 0.024 0.000 2.202 265 E HA -0.239 4.133 4.350 0.036 0.000 0.214 265 E C 1.094 177.681 176.600 -0.021 0.000 1.303 265 E CA 1.090 57.495 56.400 0.008 0.000 0.714 265 E CB -1.914 27.802 29.700 0.026 0.000 1.130 265 E HN 2.184 nan 8.360 nan 0.000 0.356 266 G N -0.160 108.615 108.800 -0.041 0.000 2.175 266 G HA2 -0.398 3.584 3.960 0.036 0.000 0.265 266 G HA3 -0.398 3.584 3.960 0.036 0.000 0.265 266 G C 0.439 175.281 174.900 -0.096 0.000 0.979 266 G CA 0.710 45.774 45.100 -0.059 0.000 0.663 266 G HN 0.383 nan 8.290 nan 0.000 0.533 267 T N 1.307 115.779 114.554 -0.136 0.000 2.888 267 T HA 0.395 4.767 4.350 0.036 0.000 0.301 267 T C 0.503 175.032 174.700 -0.285 0.000 1.001 267 T CA 0.401 62.382 62.100 -0.197 0.000 1.147 267 T CB 0.890 69.604 68.868 -0.257 0.000 0.931 267 T HN 0.446 nan 8.240 nan 0.000 0.541 268 Q N 2.010 121.694 119.800 -0.193 0.000 2.290 268 Q HA 0.535 4.897 4.340 0.036 0.000 0.259 268 Q C -0.873 175.064 176.000 -0.105 0.000 0.941 268 Q CA -0.699 55.017 55.803 -0.146 0.000 0.912 268 Q CB 1.757 30.578 28.738 0.139 0.000 1.244 268 Q HN 0.378 nan 8.270 nan 0.000 0.441 269 V N 3.852 123.573 119.914 -0.322 0.000 2.495 269 V HA 0.494 4.635 4.120 0.036 0.000 0.298 269 V C -0.878 175.143 176.094 -0.122 0.000 1.031 269 V CA -0.774 61.408 62.300 -0.195 0.000 0.871 269 V CB 1.649 33.279 31.823 -0.322 0.000 0.988 269 V HN 0.546 nan 8.190 nan 0.000 0.432 270 L N 3.973 125.180 121.223 -0.027 0.000 2.408 270 L HA 0.655 5.017 4.340 0.036 0.000 0.268 270 L C -0.640 176.172 176.870 -0.097 0.000 0.986 270 L CA -0.133 54.631 54.840 -0.126 0.000 0.820 270 L CB 2.095 43.791 42.059 -0.604 0.000 1.303 270 L HN 0.774 nan 8.230 nan 0.000 0.411 271 E N 4.899 125.071 120.200 -0.047 0.000 2.145 271 E HA 0.453 4.824 4.350 0.036 0.000 0.262 271 E C -1.651 174.973 176.600 0.040 0.000 0.883 271 E CA -0.547 55.864 56.400 0.018 0.000 0.748 271 E CB 1.031 30.767 29.700 0.060 0.000 1.140 271 E HN 0.683 nan 8.360 nan 0.000 0.417 272 L N 7.275 128.502 121.223 0.007 0.000 2.262 272 L HA 0.476 4.838 4.340 0.036 0.000 0.288 272 L C -2.114 174.797 176.870 0.069 0.000 1.035 272 L CA -1.966 52.888 54.840 0.023 0.000 0.820 272 L CB 1.002 42.934 42.059 -0.211 0.000 1.204 272 L HN 0.366 nan 8.230 nan 0.000 0.424 273 P HA 0.313 nan 4.420 nan 0.000 0.281 273 P C -0.972 176.340 177.300 0.019 0.000 1.249 273 P CA -0.341 62.797 63.100 0.063 0.000 0.810 273 P CB 1.138 32.901 31.700 0.105 0.000 1.008 274 F N 0.190 120.303 119.950 0.273 0.000 2.411 274 F HA 0.374 4.921 4.527 0.032 0.000 0.324 274 F C 1.476 177.373 175.800 0.161 0.000 1.086 274 F CA -0.783 57.347 58.000 0.216 0.000 1.028 274 F CB 0.721 39.833 39.000 0.187 0.000 1.284 274 F HN 0.029 nan 8.300 nan 0.000 0.501 275 K N 0.747 121.343 120.400 0.328 0.000 2.447 275 K HA 0.335 4.676 4.320 0.036 0.000 0.281 275 K C 0.714 177.426 176.600 0.186 0.000 1.031 275 K CA 0.960 57.366 56.287 0.198 0.000 1.019 275 K CB 0.026 32.613 32.500 0.145 0.000 0.918 275 K HN 0.913 nan 8.250 nan 0.000 0.476 276 G N 2.444 111.329 108.800 0.142 0.000 2.352 276 G HA2 -0.239 3.743 3.960 0.036 0.000 0.204 276 G HA3 -0.239 3.743 3.960 0.036 0.000 0.204 276 G C 0.250 175.223 174.900 0.123 0.000 1.004 276 G CA 0.060 45.235 45.100 0.124 0.000 0.648 276 G HN 0.794 nan 8.290 nan 0.000 0.491 277 D N -0.175 120.316 120.400 0.151 0.000 2.758 277 D HA -0.180 4.482 4.640 0.036 0.000 0.191 277 D C 0.871 177.254 176.300 0.138 0.000 1.036 277 D CA 1.800 55.879 54.000 0.132 0.000 1.030 277 D CB -1.230 39.621 40.800 0.085 0.000 1.109 277 D HN 0.491 nan 8.370 nan 0.000 0.430 278 D N 0.301 120.786 120.400 0.142 0.000 2.224 278 D HA 0.113 4.774 4.640 0.036 0.000 0.205 278 D C 1.055 177.442 176.300 0.145 0.000 0.965 278 D CA 0.823 54.896 54.000 0.122 0.000 0.852 278 D CB 0.391 41.252 40.800 0.102 0.000 0.947 278 D HN 0.447 nan 8.370 nan 0.000 0.494 279 I N -0.234 120.469 120.570 0.221 0.000 2.569 279 I HA 0.282 4.474 4.170 0.036 0.000 0.296 279 I C 0.092 176.476 176.117 0.446 0.000 1.028 279 I CA -0.562 60.892 61.300 0.258 0.000 1.082 279 I CB 2.349 40.455 38.000 0.176 0.000 1.264 279 I HN -0.186 nan 8.210 nan 0.000 0.429 280 T N 2.235 117.013 114.554 0.373 0.000 2.838 280 T HA 0.685 5.057 4.350 0.036 0.000 0.292 280 T C -0.755 174.179 174.700 0.389 0.000 1.113 280 T CA -0.909 61.378 62.100 0.313 0.000 1.008 280 T CB 2.180 71.156 68.868 0.181 0.000 1.259 280 T HN 0.588 nan 8.240 nan 0.000 0.520 281 M N 2.170 121.937 119.600 0.279 0.000 2.190 281 M HA 0.657 5.158 4.480 0.036 0.000 0.312 281 M C -1.997 174.473 176.300 0.284 0.000 0.990 281 M CA -0.689 54.844 55.300 0.388 0.000 0.927 281 M CB 1.412 34.311 32.600 0.498 0.000 1.571 281 M HN 0.561 nan 8.290 nan 0.000 0.427 282 V N 6.452 126.559 119.914 0.322 0.000 2.435 282 V HA 0.516 4.657 4.120 0.036 0.000 0.290 282 V C -0.373 175.938 176.094 0.362 0.000 1.030 282 V CA -0.631 61.803 62.300 0.224 0.000 0.881 282 V CB 1.615 33.475 31.823 0.061 0.000 0.983 282 V HN 0.813 nan 8.190 nan 0.000 0.445 283 L N 5.826 127.212 121.223 0.272 0.000 2.346 283 L HA 0.637 4.999 4.340 0.036 0.000 0.276 283 L C -0.678 176.420 176.870 0.380 0.000 1.006 283 L CA -0.495 54.597 54.840 0.419 0.000 0.817 283 L CB 2.061 44.332 42.059 0.353 0.000 1.272 283 L HN 0.454 nan 8.230 nan 0.000 0.421 284 I N 4.372 125.215 120.570 0.455 0.000 2.382 284 I HA 0.316 4.508 4.170 0.036 0.000 0.286 284 I C -0.990 175.315 176.117 0.313 0.000 1.002 284 I CA -0.548 60.938 61.300 0.309 0.000 1.135 284 I CB 2.108 40.315 38.000 0.344 0.000 1.288 284 I HN 0.339 nan 8.210 nan 0.000 0.448 285 L N 10.489 131.809 121.223 0.160 0.000 2.342 285 L HA 0.645 5.007 4.340 0.036 0.000 0.276 285 L C -2.515 174.329 176.870 -0.044 0.000 0.997 285 L CA -1.789 53.073 54.840 0.036 0.000 0.838 285 L CB 1.520 43.397 42.059 -0.303 0.000 1.224 285 L HN 0.234 nan 8.230 nan 0.000 0.416 286 P HA 0.211 nan 4.420 nan 0.000 0.276 286 P C -1.279 175.978 177.300 -0.070 0.000 1.244 286 P CA -0.617 62.468 63.100 -0.025 0.000 0.801 286 P CB 0.719 32.433 31.700 0.023 0.000 1.006 287 K N 2.504 122.861 120.400 -0.071 0.000 2.414 287 K HA 0.128 4.470 4.320 0.036 0.000 0.272 287 K C -1.604 174.944 176.600 -0.088 0.000 0.993 287 K CA -1.219 55.017 56.287 -0.085 0.000 0.964 287 K CB -0.556 31.905 32.500 -0.065 0.000 0.925 287 K HN 0.227 nan 8.250 nan 0.000 0.487 288 P HA -0.243 nan 4.420 nan 0.000 0.217 288 P C 0.383 177.626 177.300 -0.095 0.000 1.151 288 P CA 1.566 64.587 63.100 -0.131 0.000 0.849 288 P CB 0.188 31.783 31.700 -0.175 0.000 0.787 289 E N 0.582 120.737 120.200 -0.075 0.000 2.023 289 E HA -0.126 4.245 4.350 0.036 0.000 0.196 289 E C 1.226 177.803 176.600 -0.038 0.000 1.003 289 E CA 1.109 57.477 56.400 -0.054 0.000 0.809 289 E CB -0.796 28.878 29.700 -0.043 0.000 0.755 289 E HN 0.307 nan 8.360 nan 0.000 0.449 290 K N 1.442 121.824 120.400 -0.030 0.000 2.298 290 K HA 0.141 4.482 4.320 0.036 0.000 0.280 290 K C -0.287 176.310 176.600 -0.006 0.000 1.032 290 K CA -0.149 56.131 56.287 -0.011 0.000 0.958 290 K CB 0.716 33.217 32.500 0.001 0.000 0.978 290 K HN 0.119 nan 8.250 nan 0.000 0.472 291 S N 3.832 119.534 115.700 0.003 0.000 2.592 291 S HA 0.041 4.533 4.470 0.036 0.000 0.271 291 S C 0.985 175.604 174.600 0.031 0.000 1.326 291 S CA -0.802 57.404 58.200 0.010 0.000 1.024 291 S CB 1.146 64.350 63.200 0.006 0.000 0.921 291 S HN 0.708 nan 8.310 nan 0.000 0.527 292 L N 2.636 123.884 121.223 0.042 0.000 2.201 292 L HA 0.161 4.523 4.340 0.036 0.000 0.212 292 L C 2.438 179.352 176.870 0.072 0.000 1.105 292 L CA 2.035 56.919 54.840 0.073 0.000 0.775 292 L CB -1.489 40.620 42.059 0.083 0.000 0.913 292 L HN 0.951 nan 8.230 nan 0.000 0.440 293 A N -0.543 122.301 122.820 0.040 0.000 1.972 293 A HA -0.236 4.106 4.320 0.036 0.000 0.219 293 A C 2.328 179.927 177.584 0.025 0.000 1.169 293 A CA 1.784 53.834 52.037 0.021 0.000 0.635 293 A CB -0.486 18.512 19.000 -0.003 0.000 0.810 293 A HN 0.434 nan 8.150 nan 0.000 0.446 294 K N -0.114 120.305 120.400 0.032 0.000 2.001 294 K HA -0.047 4.294 4.320 0.036 0.000 0.208 294 K C 1.670 178.307 176.600 0.061 0.000 1.048 294 K CA 1.847 58.154 56.287 0.034 0.000 0.932 294 K CB -0.669 31.850 32.500 0.032 0.000 0.715 294 K HN 0.154 nan 8.250 nan 0.000 0.437 295 V N 1.609 121.580 119.914 0.096 0.000 2.343 295 V HA -0.243 3.898 4.120 0.036 0.000 0.247 295 V C 2.046 178.230 176.094 0.149 0.000 1.051 295 V CA 2.192 64.586 62.300 0.156 0.000 1.036 295 V CB -0.537 31.408 31.823 0.204 0.000 0.654 295 V HN 0.410 nan 8.190 nan 0.000 0.451 296 E N 0.050 120.332 120.200 0.135 0.000 2.077 296 E HA -0.228 4.144 4.350 0.036 0.000 0.193 296 E C 2.259 178.901 176.600 0.069 0.000 0.989 296 E CA 1.168 57.658 56.400 0.149 0.000 0.800 296 E CB -0.190 29.601 29.700 0.151 0.000 0.746 296 E HN 0.574 nan 8.360 nan 0.000 0.452 297 K N 0.641 121.054 120.400 0.022 0.000 2.280 297 K HA -0.145 4.197 4.320 0.036 0.000 0.202 297 K C 1.669 178.256 176.600 -0.021 0.000 1.047 297 K CA 1.068 57.341 56.287 -0.023 0.000 0.942 297 K CB 0.017 32.496 32.500 -0.033 0.000 0.739 297 K HN 0.227 nan 8.250 nan 0.000 0.457 298 E N 0.447 120.649 120.200 0.003 0.000 2.415 298 E HA -0.014 4.357 4.350 0.036 0.000 0.197 298 E C -0.076 176.480 176.600 -0.073 0.000 1.007 298 E CA -0.228 56.158 56.400 -0.022 0.000 0.890 298 E CB 0.204 29.913 29.700 0.014 0.000 0.891 298 E HN -0.014 nan 8.360 nan 0.000 0.496 299 L N 2.750 123.952 121.223 -0.035 0.000 2.699 299 L HA 0.014 4.375 4.340 0.036 0.000 0.283 299 L C -0.320 176.491 176.870 -0.098 0.000 1.166 299 L CA 0.956 55.744 54.840 -0.086 0.000 1.043 299 L CB -0.416 41.679 42.059 0.060 0.000 1.369 299 L HN -0.150 nan 8.230 nan 0.000 0.462 300 T N 6.370 120.814 114.554 -0.183 0.000 2.922 300 T HA 0.287 4.659 4.350 0.036 0.000 0.285 300 T C -1.606 173.006 174.700 -0.147 0.000 1.005 300 T CA -1.019 60.997 62.100 -0.141 0.000 1.061 300 T CB 1.632 70.410 68.868 -0.149 0.000 1.007 300 T HN 0.310 nan 8.240 nan 0.000 0.502 301 P HA -0.142 nan 4.420 nan 0.000 0.215 301 P C 1.558 178.794 177.300 -0.107 0.000 1.157 301 P CA 0.924 63.978 63.100 -0.077 0.000 0.868 301 P CB 0.194 31.867 31.700 -0.046 0.000 0.788 302 E N -0.489 119.648 120.200 -0.105 0.000 2.150 302 E HA -0.085 4.287 4.350 0.036 0.000 0.193 302 E C 2.038 178.532 176.600 -0.176 0.000 0.985 302 E CA 1.032 57.370 56.400 -0.103 0.000 0.814 302 E CB -1.472 28.184 29.700 -0.073 0.000 0.752 302 E HN 0.132 nan 8.360 nan 0.000 0.466 303 V N 1.706 121.454 119.914 -0.275 0.000 2.323 303 V HA -0.204 3.938 4.120 0.036 0.000 0.244 303 V C 2.452 178.139 176.094 -0.678 0.000 1.041 303 V CA 1.460 63.452 62.300 -0.513 0.000 1.025 303 V CB -0.564 30.878 31.823 -0.635 0.000 0.656 303 V HN 0.166 nan 8.190 nan 0.000 0.451 304 L N -0.068 120.859 121.223 -0.493 0.000 2.187 304 L HA -0.164 4.198 4.340 0.036 0.000 0.213 304 L C 2.368 179.155 176.870 -0.137 0.000 1.100 304 L CA 1.856 56.509 54.840 -0.311 0.000 0.765 304 L CB -0.796 41.157 42.059 -0.176 0.000 0.904 304 L HN 0.273 nan 8.230 nan 0.000 0.437 305 Q N -0.147 119.577 119.800 -0.127 0.000 2.016 305 Q HA -0.232 4.130 4.340 0.036 0.000 0.200 305 Q C 2.151 178.155 176.000 0.006 0.000 0.978 305 Q CA 1.850 57.629 55.803 -0.040 0.000 0.833 305 Q CB -0.325 28.395 28.738 -0.029 0.000 0.895 305 Q HN 0.689 nan 8.270 nan 0.000 0.427 306 E N -0.402 119.778 120.200 -0.033 0.000 2.049 306 E HA -0.216 4.156 4.350 0.036 0.000 0.198 306 E C 1.724 178.423 176.600 0.165 0.000 1.007 306 E CA 1.263 57.684 56.400 0.035 0.000 0.809 306 E CB -0.092 29.599 29.700 -0.015 0.000 0.749 306 E HN 0.306 nan 8.360 nan 0.000 0.450 307 W N 0.976 122.254 121.300 -0.037 0.000 2.304 307 W HA -0.210 4.472 4.660 0.037 0.000 0.328 307 W C 2.492 178.975 176.519 -0.060 0.000 1.242 307 W CA 0.829 58.140 57.345 -0.057 0.000 1.243 307 W CB -1.413 28.001 29.460 -0.076 0.000 1.170 307 W HN 0.183 nan 8.180 nan 0.000 0.460 308 L N -0.029 121.307 121.223 0.189 0.000 2.010 308 L HA -0.296 4.065 4.340 0.036 0.000 0.219 308 L C 1.999 178.915 176.870 0.077 0.000 1.077 308 L CA 1.897 56.786 54.840 0.082 0.000 0.773 308 L CB -1.192 40.888 42.059 0.036 0.000 0.892 308 L HN -0.011 nan 8.230 nan 0.000 0.436 309 D N -0.165 120.288 120.400 0.088 0.000 2.309 309 D HA -0.155 4.507 4.640 0.036 0.000 0.212 309 D C 1.796 178.134 176.300 0.063 0.000 0.968 309 D CA 1.041 55.087 54.000 0.077 0.000 0.882 309 D CB -0.044 40.804 40.800 0.080 0.000 0.918 309 D HN 0.565 nan 8.370 nan 0.000 0.503 310 E N -0.053 120.188 120.200 0.070 0.000 2.474 310 E HA 0.100 4.471 4.350 0.036 0.000 0.194 310 E C 0.604 177.214 176.600 0.017 0.000 1.041 310 E CA -0.250 56.178 56.400 0.046 0.000 0.874 310 E CB 0.506 30.241 29.700 0.058 0.000 0.914 310 E HN 0.233 nan 8.360 nan 0.000 0.498 311 L N 1.874 123.105 121.223 0.014 0.000 2.529 311 L HA 0.012 4.374 4.340 0.036 0.000 0.287 311 L C 0.227 177.115 176.870 0.029 0.000 1.241 311 L CA 0.548 55.391 54.840 0.005 0.000 0.857 311 L CB 0.079 42.149 42.059 0.018 0.000 1.113 311 L HN 0.014 nan 8.230 nan 0.000 0.504 312 E N 1.423 121.651 120.200 0.047 0.000 2.331 312 E HA 0.199 4.570 4.350 0.036 0.000 0.275 312 E C -1.030 175.612 176.600 0.070 0.000 0.895 312 E CA -0.647 55.784 56.400 0.051 0.000 0.753 312 E CB 1.530 31.258 29.700 0.046 0.000 1.216 312 E HN 0.438 nan 8.360 nan 0.000 0.434 313 E N 3.235 123.458 120.200 0.040 0.000 2.452 313 E HA 0.196 4.568 4.350 0.036 0.000 0.261 313 E C -0.719 175.896 176.600 0.024 0.000 0.987 313 E CA 0.471 56.885 56.400 0.023 0.000 0.926 313 E CB 0.524 30.215 29.700 -0.015 0.000 0.934 313 E HN 0.505 nan 8.360 nan 0.000 0.452 314 M N 3.484 123.094 119.600 0.017 0.000 2.643 314 M HA 0.256 4.757 4.480 0.036 0.000 0.276 314 M C -1.691 174.583 176.300 -0.043 0.000 1.200 314 M CA -0.756 54.539 55.300 -0.008 0.000 0.863 314 M CB 1.828 34.439 32.600 0.018 0.000 1.711 314 M HN 0.406 nan 8.290 nan 0.000 0.492 315 M N 4.499 124.060 119.600 -0.065 0.000 2.084 315 M HA 0.482 4.984 4.480 0.036 0.000 0.351 315 M C -1.500 174.742 176.300 -0.097 0.000 1.240 315 M CA -0.397 54.859 55.300 -0.073 0.000 1.083 315 M CB 0.210 32.768 32.600 -0.069 0.000 1.593 315 M HN 0.573 nan 8.290 nan 0.000 0.463 316 L N 3.014 124.185 121.223 -0.087 0.000 2.491 316 L HA 0.759 5.121 4.340 0.036 0.000 0.254 316 L C -0.698 176.091 176.870 -0.136 0.000 1.048 316 L CA -1.090 53.660 54.840 -0.150 0.000 0.855 316 L CB 0.649 42.526 42.059 -0.304 0.000 1.466 316 L HN 0.221 nan 8.230 nan 0.000 0.409 317 V N 1.283 121.118 119.914 -0.131 0.000 2.383 317 V HA 0.584 4.726 4.120 0.036 0.000 0.275 317 V C -0.098 175.869 176.094 -0.212 0.000 1.036 317 V CA -0.555 61.641 62.300 -0.173 0.000 0.889 317 V CB 1.333 33.147 31.823 -0.015 0.000 0.985 317 V HN 0.542 nan 8.190 nan 0.000 0.459 318 V N 5.317 124.996 119.914 -0.391 0.000 2.398 318 V HA 0.425 4.566 4.120 0.036 0.000 0.286 318 V C -0.293 175.658 176.094 -0.238 0.000 1.026 318 V CA -0.559 61.560 62.300 -0.302 0.000 0.868 318 V CB 1.260 32.779 31.823 -0.508 0.000 0.982 318 V HN 0.790 nan 8.190 nan 0.000 0.443 319 H N 6.340 125.500 119.070 0.151 0.000 2.638 319 H HA 0.573 5.149 4.556 0.033 0.000 0.317 319 H C -0.528 174.874 175.328 0.124 0.000 1.006 319 H CA -0.264 55.884 56.048 0.166 0.000 1.222 319 H CB 1.756 31.611 29.762 0.156 0.000 1.419 319 H HN 0.621 nan 8.280 nan 0.000 0.489 320 M N 6.308 125.976 119.600 0.113 0.000 2.238 320 M HA 0.346 4.848 4.480 0.036 0.000 0.278 320 M C -3.115 173.194 176.300 0.014 0.000 1.040 320 M CA -1.680 53.636 55.300 0.026 0.000 0.969 320 M CB 3.182 35.719 32.600 -0.105 0.000 1.694 320 M HN 0.185 nan 8.290 nan 0.000 0.472 321 P HA 0.197 nan 4.420 nan 0.000 0.272 321 P C -1.233 176.217 177.300 0.249 0.000 1.223 321 P CA 0.066 63.303 63.100 0.228 0.000 0.784 321 P CB 0.757 32.639 31.700 0.303 0.000 0.923 322 R N 1.744 122.314 120.500 0.117 0.000 2.577 322 R HA 0.677 5.038 4.340 0.036 0.000 0.269 322 R C -0.113 176.270 176.300 0.137 0.000 1.084 322 R CA -0.065 56.029 56.100 -0.010 0.000 1.163 322 R CB 0.238 30.524 30.300 -0.024 0.000 1.100 322 R HN 0.616 nan 8.270 nan 0.000 0.547 323 F N -2.523 117.407 119.950 -0.033 0.000 2.822 323 F HA 0.332 4.882 4.527 0.038 0.000 0.323 323 F C -1.725 173.994 175.800 -0.135 0.000 1.133 323 F CA -1.288 56.664 58.000 -0.080 0.000 0.941 323 F CB 0.978 39.919 39.000 -0.098 0.000 1.263 323 F HN 0.382 nan 8.300 nan 0.000 0.451 324 R N 2.874 123.429 120.500 0.092 0.000 2.534 324 R HA 0.857 5.219 4.340 0.036 0.000 0.301 324 R C -1.998 174.281 176.300 -0.035 0.000 0.961 324 R CA -0.756 55.288 56.100 -0.093 0.000 0.871 324 R CB 1.652 31.911 30.300 -0.068 0.000 1.170 324 R HN 0.870 nan 8.270 nan 0.000 0.446 325 I N 3.328 123.786 120.570 -0.188 0.000 2.447 325 I HA 0.288 4.480 4.170 0.036 0.000 0.287 325 I C -0.757 175.305 176.117 -0.092 0.000 1.023 325 I CA -0.614 60.620 61.300 -0.110 0.000 1.083 325 I CB 2.289 40.222 38.000 -0.112 0.000 1.245 325 I HN 0.573 nan 8.210 nan 0.000 0.434 326 E N 4.523 124.765 120.200 0.070 0.000 2.185 326 E HA 0.388 4.759 4.350 0.036 0.000 0.261 326 E C -1.512 175.221 176.600 0.223 0.000 0.879 326 E CA -0.636 55.880 56.400 0.193 0.000 0.756 326 E CB 2.421 32.259 29.700 0.230 0.000 1.152 326 E HN 0.404 nan 8.360 nan 0.000 0.416 327 D N 1.359 121.945 120.400 0.310 0.000 2.527 327 D HA 0.698 5.359 4.640 0.036 0.000 0.233 327 D C -1.103 175.408 176.300 0.352 0.000 1.063 327 D CA -0.548 53.661 54.000 0.348 0.000 0.880 327 D CB 1.883 42.948 40.800 0.441 0.000 1.457 327 D HN 0.467 nan 8.370 nan 0.000 0.475 328 G N 0.829 109.849 108.800 0.367 0.000 2.766 328 G HA2 0.619 4.601 3.960 0.036 0.000 0.297 328 G HA3 0.619 4.601 3.960 0.036 0.000 0.297 328 G C -1.534 173.589 174.900 0.371 0.000 1.431 328 G CA -0.828 44.415 45.100 0.239 0.000 1.042 328 G HN 0.440 nan 8.290 nan 0.000 0.542 329 F N -0.382 119.742 119.950 0.290 0.000 2.773 329 F HA 0.830 5.378 4.527 0.035 0.000 0.314 329 F C -0.318 175.714 175.800 0.386 0.000 1.160 329 F CA -1.444 56.726 58.000 0.283 0.000 0.920 329 F CB 1.372 40.500 39.000 0.214 0.000 1.323 329 F HN 0.592 nan 8.300 nan 0.000 0.457 330 S N 0.791 116.824 115.700 0.554 0.000 2.562 330 S HA 0.489 4.981 4.470 0.036 0.000 0.275 330 S C 0.301 175.144 174.600 0.406 0.000 1.281 330 S CA -0.661 57.758 58.200 0.364 0.000 1.045 330 S CB 0.768 64.110 63.200 0.236 0.000 0.962 330 S HN 0.765 nan 8.310 nan 0.000 0.503 331 L N 4.167 125.562 121.223 0.287 0.000 2.416 331 L HA 0.163 4.524 4.340 0.036 0.000 0.216 331 L C 2.467 179.472 176.870 0.226 0.000 1.098 331 L CA 0.243 55.329 54.840 0.410 0.000 0.840 331 L CB -0.325 41.989 42.059 0.423 0.000 0.981 331 L HN 0.756 nan 8.230 nan 0.000 0.462 332 K N 0.987 121.398 120.400 0.018 0.000 2.000 332 K HA -0.314 4.028 4.320 0.036 0.000 0.218 332 K C 2.001 178.403 176.600 -0.330 0.000 1.053 332 K CA 2.298 58.369 56.287 -0.359 0.000 0.946 332 K CB -0.082 32.149 32.500 -0.449 0.000 0.723 332 K HN 0.239 nan 8.250 nan 0.000 0.446 333 E N -0.298 119.803 120.200 -0.165 0.000 2.023 333 E HA -0.264 4.107 4.350 0.036 0.000 0.196 333 E C 2.180 178.719 176.600 -0.102 0.000 1.003 333 E CA 1.549 57.872 56.400 -0.129 0.000 0.809 333 E CB 0.022 29.680 29.700 -0.069 0.000 0.755 333 E HN 0.323 nan 8.360 nan 0.000 0.449 334 Q N 0.422 120.187 119.800 -0.060 0.000 2.062 334 Q HA -0.227 4.135 4.340 0.036 0.000 0.209 334 Q C 2.539 178.473 176.000 -0.109 0.000 0.996 334 Q CA 1.478 57.210 55.803 -0.119 0.000 0.859 334 Q CB -0.717 27.936 28.738 -0.142 0.000 0.920 334 Q HN 0.430 nan 8.270 nan 0.000 0.415 335 L N 0.574 121.824 121.223 0.044 0.000 2.012 335 L HA -0.265 4.096 4.340 0.036 0.000 0.210 335 L C 2.731 179.599 176.870 -0.004 0.000 1.073 335 L CA 1.441 56.312 54.840 0.051 0.000 0.748 335 L CB -0.459 41.702 42.059 0.168 0.000 0.891 335 L HN 0.331 nan 8.230 nan 0.000 0.431 336 Q N -0.257 119.525 119.800 -0.030 0.000 2.045 336 Q HA -0.253 4.109 4.340 0.036 0.000 0.206 336 Q C 1.913 177.883 176.000 -0.051 0.000 0.991 336 Q CA 1.887 57.678 55.803 -0.020 0.000 0.851 336 Q CB -0.160 28.520 28.738 -0.096 0.000 0.911 336 Q HN 0.476 nan 8.270 nan 0.000 0.418 337 D N 0.089 120.431 120.400 -0.095 0.000 2.190 337 D HA -0.167 4.495 4.640 0.036 0.000 0.200 337 D C 1.567 177.781 176.300 -0.143 0.000 0.992 337 D CA 1.265 55.207 54.000 -0.097 0.000 0.854 337 D CB -0.072 40.672 40.800 -0.093 0.000 0.936 337 D HN 0.359 nan 8.370 nan 0.000 0.462 338 M N -1.051 118.401 119.600 -0.247 0.000 2.618 338 M HA 0.106 4.608 4.480 0.036 0.000 0.240 338 M C 1.174 177.405 176.300 -0.115 0.000 1.123 338 M CA 0.717 55.856 55.300 -0.269 0.000 1.060 338 M CB 0.726 33.102 32.600 -0.372 0.000 1.535 338 M HN 0.118 nan 8.290 nan 0.000 0.507 339 G N 1.051 109.815 108.800 -0.060 0.000 2.192 339 G HA2 -0.165 3.816 3.960 0.036 0.000 0.193 339 G HA3 -0.165 3.816 3.960 0.036 0.000 0.193 339 G C -0.424 174.488 174.900 0.019 0.000 0.999 339 G CA -0.673 44.417 45.100 -0.017 0.000 0.659 339 G HN 0.296 nan 8.290 nan 0.000 0.503 340 L N 2.583 123.839 121.223 0.056 0.000 2.288 340 L HA 0.676 5.038 4.340 0.036 0.000 0.283 340 L C 1.333 178.368 176.870 0.275 0.000 1.072 340 L CA 0.210 55.137 54.840 0.146 0.000 0.862 340 L CB 1.180 43.351 42.059 0.187 0.000 1.245 340 L HN 0.482 nan 8.230 nan 0.000 0.432 341 V N -0.190 119.840 119.914 0.193 0.000 2.948 341 V HA 0.205 4.347 4.120 0.036 0.000 0.234 341 V C 1.529 177.738 176.094 0.191 0.000 1.205 341 V CA 0.474 62.906 62.300 0.220 0.000 1.234 341 V CB -0.525 31.361 31.823 0.106 0.000 1.020 341 V HN 0.460 nan 8.190 nan 0.000 0.491 342 D N 1.341 121.796 120.400 0.091 0.000 2.133 342 D HA -0.215 4.447 4.640 0.036 0.000 0.192 342 D C 1.958 178.274 176.300 0.027 0.000 1.001 342 D CA 2.095 56.122 54.000 0.046 0.000 0.844 342 D CB -0.508 40.303 40.800 0.019 0.000 0.944 342 D HN 0.402 nan 8.370 nan 0.000 0.447 343 L N -0.590 120.610 121.223 -0.037 0.000 2.197 343 L HA -0.176 4.186 4.340 0.036 0.000 0.215 343 L C 1.465 178.204 176.870 -0.219 0.000 1.095 343 L CA 1.590 56.319 54.840 -0.185 0.000 0.764 343 L CB -0.305 41.541 42.059 -0.355 0.000 0.897 343 L HN 0.043 nan 8.230 nan 0.000 0.436 344 F N -2.331 117.693 119.950 0.122 0.000 2.721 344 F HA 0.247 4.796 4.527 0.036 0.000 0.301 344 F C 1.416 177.211 175.800 -0.009 0.000 1.096 344 F CA 0.040 58.121 58.000 0.136 0.000 1.308 344 F CB -0.112 38.949 39.000 0.102 0.000 1.086 344 F HN -0.071 nan 8.300 nan 0.000 0.587 345 S N 1.594 117.336 115.700 0.069 0.000 2.439 345 S HA 0.204 4.696 4.470 0.036 0.000 0.282 345 S C -1.654 172.760 174.600 -0.310 0.000 1.170 345 S CA -1.545 56.586 58.200 -0.116 0.000 1.054 345 S CB 0.895 64.071 63.200 -0.041 0.000 0.956 345 S HN -0.128 nan 8.310 nan 0.000 0.490 346 P HA -0.088 nan 4.420 nan 0.000 0.218 346 P C 0.457 177.630 177.300 -0.212 0.000 1.146 346 P CA 1.166 63.850 63.100 -0.694 0.000 0.813 346 P CB 0.218 31.524 31.700 -0.656 0.000 0.778 347 E N -1.243 118.865 120.200 -0.154 0.000 2.251 347 E HA 0.024 4.396 4.350 0.036 0.000 0.194 347 E C 1.602 178.177 176.600 -0.040 0.000 0.964 347 E CA 0.785 57.142 56.400 -0.071 0.000 0.868 347 E CB -0.209 29.456 29.700 -0.058 0.000 0.828 347 E HN 0.198 nan 8.360 nan 0.000 0.481 348 K N 0.303 120.679 120.400 -0.040 0.000 2.352 348 K HA 0.215 4.556 4.320 0.036 0.000 0.194 348 K C 0.759 177.357 176.600 -0.003 0.000 1.038 348 K CA -0.054 56.224 56.287 -0.015 0.000 1.023 348 K CB 0.564 33.060 32.500 -0.006 0.000 0.840 348 K HN -0.096 nan 8.250 nan 0.000 0.519 349 S N 1.451 117.152 115.700 0.001 0.000 2.566 349 S HA 0.015 4.507 4.470 0.036 0.000 0.280 349 S C -0.290 174.317 174.600 0.011 0.000 1.343 349 S CA 0.270 58.482 58.200 0.021 0.000 1.036 349 S CB 0.299 63.551 63.200 0.086 0.000 0.866 349 S HN 0.007 nan 8.310 nan 0.000 0.526 350 K N 4.571 124.968 120.400 -0.004 0.000 2.723 350 K HA 0.314 4.656 4.320 0.036 0.000 0.229 350 K C -1.138 175.441 176.600 -0.035 0.000 1.022 350 K CA -0.060 56.219 56.287 -0.014 0.000 1.045 350 K CB 0.893 33.387 32.500 -0.009 0.000 1.227 350 K HN 0.586 nan 8.250 nan 0.000 0.516 351 L N 3.631 124.823 121.223 -0.052 0.000 3.083 351 L HA 0.210 4.572 4.340 0.036 0.000 0.286 351 L C -1.166 175.636 176.870 -0.113 0.000 1.307 351 L CA -1.200 53.582 54.840 -0.097 0.000 0.897 351 L CB 0.888 42.874 42.059 -0.121 0.000 1.306 351 L HN 0.158 nan 8.230 nan 0.000 0.569 352 P HA -0.170 nan 4.420 nan 0.000 0.218 352 P C 1.537 178.775 177.300 -0.102 0.000 1.148 352 P CA 1.468 64.521 63.100 -0.078 0.000 0.822 352 P CB 0.280 31.952 31.700 -0.047 0.000 0.784 353 G N -0.258 108.470 108.800 -0.120 0.000 2.498 353 G HA2 -0.141 3.841 3.960 0.036 0.000 0.219 353 G HA3 -0.141 3.841 3.960 0.036 0.000 0.219 353 G C 1.561 176.310 174.900 -0.252 0.000 1.119 353 G CA 0.239 45.261 45.100 -0.131 0.000 0.766 353 G HN 0.270 nan 8.290 nan 0.000 0.552 354 I N 0.023 120.353 120.570 -0.401 0.000 2.185 354 I HA 0.013 4.204 4.170 0.036 0.000 0.235 354 I C 0.768 176.813 176.117 -0.119 0.000 1.069 354 I CA 0.381 61.348 61.300 -0.555 0.000 1.354 354 I CB -0.440 37.238 38.000 -0.537 0.000 1.093 354 I HN -0.173 nan 8.210 nan 0.000 0.411 355 V N 1.871 121.691 119.914 -0.156 0.000 2.509 355 V HA 0.494 4.635 4.120 0.036 0.000 0.284 355 V C 0.220 176.225 176.094 -0.149 0.000 1.047 355 V CA -0.810 61.353 62.300 -0.228 0.000 0.952 355 V CB 1.179 32.804 31.823 -0.330 0.000 0.988 355 V HN 0.332 nan 8.190 nan 0.000 0.469 356 A N 3.870 126.612 122.820 -0.130 0.000 2.309 356 A HA 0.668 5.010 4.320 0.036 0.000 0.298 356 A C 0.213 177.745 177.584 -0.087 0.000 1.165 356 A CA -0.299 51.692 52.037 -0.076 0.000 0.821 356 A CB 0.272 19.252 19.000 -0.033 0.000 1.102 356 A HN 1.187 nan 8.150 nan 0.000 0.500 357 E N 1.441 121.602 120.200 -0.064 0.000 7.068 357 E HA 0.053 4.424 4.350 0.036 0.000 0.216 357 E C 0.512 177.073 176.600 -0.066 0.000 1.080 357 E CA 0.711 57.077 56.400 -0.057 0.000 1.549 357 E CB -1.169 28.500 29.700 -0.052 0.000 0.929 357 E HN 2.836 nan 8.360 nan 0.000 0.281 358 G N 3.731 112.499 108.800 -0.053 0.000 2.682 358 G HA2 -0.365 3.616 3.960 0.036 0.000 0.256 358 G HA3 -0.365 3.616 3.960 0.036 0.000 0.256 358 G C 0.306 175.167 174.900 -0.065 0.000 1.333 358 G CA 1.208 46.277 45.100 -0.051 0.000 0.904 358 G HN 1.773 nan 8.290 nan 0.000 0.569 359 R N -1.280 119.186 120.500 -0.057 0.000 4.010 359 R HA -0.219 4.143 4.340 0.036 0.000 0.409 359 R C 0.842 177.108 176.300 -0.057 0.000 1.120 359 R CA 2.423 58.485 56.100 -0.063 0.000 1.244 359 R CB -2.169 28.071 30.300 -0.100 0.000 1.799 359 R HN 1.394 nan 8.270 nan 0.000 0.559 360 D N 0.757 121.127 120.400 -0.050 0.000 2.357 360 D HA 0.064 4.725 4.640 0.036 0.000 0.265 360 D C -0.093 176.195 176.300 -0.019 0.000 1.334 360 D CA 0.905 54.879 54.000 -0.043 0.000 0.984 360 D CB 0.550 41.326 40.800 -0.040 0.000 1.077 360 D HN 0.538 nan 8.370 nan 0.000 0.514 361 D N 0.701 121.096 120.400 -0.008 0.000 4.365 361 D HA -0.088 4.573 4.640 0.036 0.000 0.141 361 D C 0.174 176.522 176.300 0.080 0.000 0.466 361 D CA -0.555 53.463 54.000 0.031 0.000 0.609 361 D CB -1.667 39.154 40.800 0.036 0.000 1.660 361 D HN 0.427 nan 8.370 nan 0.000 0.093 362 L N 1.754 122.986 121.223 0.015 0.000 2.543 362 L HA 0.263 4.625 4.340 0.036 0.000 0.285 362 L C -0.504 176.388 176.870 0.037 0.000 1.236 362 L CA 0.261 55.084 54.840 -0.028 0.000 0.871 362 L CB 0.176 42.177 42.059 -0.097 0.000 1.121 362 L HN 0.245 nan 8.230 nan 0.000 0.501 363 Y N 1.938 122.202 120.300 -0.060 0.000 2.562 363 Y HA 0.527 5.098 4.550 0.036 0.000 0.345 363 Y C -0.982 174.881 175.900 -0.061 0.000 1.045 363 Y CA -1.414 56.648 58.100 -0.063 0.000 1.028 363 Y CB 0.932 39.378 38.460 -0.024 0.000 1.297 363 Y HN 0.115 nan 8.280 nan 0.000 0.463 364 V N 3.249 123.157 119.914 -0.010 0.000 2.415 364 V HA 0.060 4.201 4.120 0.036 0.000 0.267 364 V C 1.085 177.299 176.094 0.200 0.000 1.042 364 V CA 0.832 63.096 62.300 -0.061 0.000 1.000 364 V CB 0.517 32.225 31.823 -0.192 0.000 1.015 364 V HN 1.044 nan 8.190 nan 0.000 0.478 365 S N 3.099 118.802 115.700 0.006 0.000 2.414 365 S HA -0.001 4.491 4.470 0.036 0.000 0.227 365 S C 0.582 175.295 174.600 0.188 0.000 1.022 365 S CA 0.875 59.172 58.200 0.161 0.000 0.958 365 S CB 0.018 63.205 63.200 -0.021 0.000 0.797 365 S HN 0.894 nan 8.310 nan 0.000 0.493 366 D N -1.403 119.054 120.400 0.095 0.000 2.648 366 D HA 0.577 5.239 4.640 0.036 0.000 0.244 366 D C -1.806 174.397 176.300 -0.161 0.000 1.244 366 D CA -0.151 53.801 54.000 -0.079 0.000 0.772 366 D CB 2.118 42.788 40.800 -0.217 0.000 1.379 366 D HN 0.233 nan 8.370 nan 0.000 0.428 367 A N 1.526 124.124 122.820 -0.369 0.000 2.402 367 A HA 0.688 5.029 4.320 0.036 0.000 0.291 367 A C -1.645 175.692 177.584 -0.412 0.000 1.051 367 A CA -0.509 51.427 52.037 -0.168 0.000 0.716 367 A CB 0.543 19.747 19.000 0.339 0.000 1.223 367 A HN 0.269 nan 8.150 nan 0.000 0.425 368 F N 0.278 120.319 119.950 0.151 0.000 2.579 368 F HA 0.705 5.253 4.527 0.036 0.000 0.324 368 F C 0.204 176.041 175.800 0.062 0.000 1.058 368 F CA -0.386 57.667 58.000 0.090 0.000 0.944 368 F CB 2.214 41.242 39.000 0.047 0.000 1.245 368 F HN 0.725 nan 8.300 nan 0.000 0.477 369 H N 0.847 119.919 119.070 0.003 0.000 2.856 369 H HA 0.496 5.074 4.556 0.036 0.000 0.355 369 H C -1.451 173.756 175.328 -0.202 0.000 1.079 369 H CA -0.801 55.151 56.048 -0.160 0.000 1.240 369 H CB 1.687 31.222 29.762 -0.377 0.000 1.701 369 H HN 0.587 nan 8.280 nan 0.000 0.527 370 K N 3.541 123.849 120.400 -0.155 0.000 2.541 370 K HA 0.775 5.116 4.320 0.036 0.000 0.250 370 K C -1.771 174.903 176.600 0.123 0.000 0.950 370 K CA -0.689 55.620 56.287 0.035 0.000 0.805 370 K CB 1.511 34.037 32.500 0.043 0.000 1.166 370 K HN 0.604 nan 8.250 nan 0.000 0.430 371 A N 3.222 126.238 122.820 0.327 0.000 2.423 371 A HA 0.796 5.138 4.320 0.036 0.000 0.304 371 A C -1.849 176.080 177.584 0.576 0.000 1.104 371 A CA -0.645 51.690 52.037 0.498 0.000 0.757 371 A CB 0.939 20.306 19.000 0.611 0.000 1.313 371 A HN 0.655 nan 8.150 nan 0.000 0.423 372 F N 0.781 120.979 119.950 0.414 0.000 2.565 372 F HA 0.764 5.310 4.527 0.033 0.000 0.313 372 F C -1.573 174.214 175.800 -0.022 0.000 1.091 372 F CA -1.081 57.032 58.000 0.189 0.000 0.915 372 F CB 2.002 41.079 39.000 0.128 0.000 1.208 372 F HN 0.572 nan 8.300 nan 0.000 0.453 373 L N 4.825 125.290 121.223 -1.262 0.000 2.505 373 L HA 0.522 4.884 4.340 0.036 0.000 0.266 373 L C -1.798 174.418 176.870 -1.090 0.000 0.954 373 L CA -0.133 53.999 54.840 -1.179 0.000 0.852 373 L CB 2.053 43.230 42.059 -1.469 0.000 1.282 373 L HN 0.750 nan 8.230 nan 0.000 0.403 374 E N 3.683 123.422 120.200 -0.768 0.000 2.241 374 E HA 0.714 5.086 4.350 0.036 0.000 0.263 374 E C -1.955 174.400 176.600 -0.409 0.000 0.882 374 E CA -0.639 55.458 56.400 -0.505 0.000 0.769 374 E CB 1.983 31.548 29.700 -0.225 0.000 1.185 374 E HN 0.481 nan 8.360 nan 0.000 0.415 375 V N 4.977 124.565 119.914 -0.544 0.000 2.540 375 V HA 0.610 4.752 4.120 0.036 0.000 0.302 375 V C -0.513 175.431 176.094 -0.249 0.000 1.035 375 V CA -0.620 61.430 62.300 -0.416 0.000 0.873 375 V CB 1.487 32.889 31.823 -0.701 0.000 0.992 375 V HN 0.915 nan 8.190 nan 0.000 0.428 376 N N 2.955 121.657 118.700 0.003 0.000 3.395 376 N HA 0.326 5.088 4.740 0.036 0.000 0.293 376 N C -1.468 174.194 175.510 0.253 0.000 1.489 376 N CA -1.099 51.982 53.050 0.051 0.000 0.871 376 N CB 0.759 39.246 38.487 -0.001 0.000 1.649 376 N HN 0.416 nan 8.380 nan 0.000 0.501 377 E N 0.193 120.509 120.200 0.193 0.000 2.343 377 E HA 0.414 4.786 4.350 0.036 0.000 0.269 377 E C -0.299 176.436 176.600 0.226 0.000 1.047 377 E CA -0.266 56.321 56.400 0.311 0.000 0.874 377 E CB 0.832 30.669 29.700 0.229 0.000 1.033 377 E HN 0.710 nan 8.360 nan 0.000 0.409 378 E N 0.926 121.276 120.200 0.250 0.000 5.003 378 E HA -0.398 3.974 4.350 0.036 0.000 0.166 378 E C 1.290 177.920 176.600 0.051 0.000 1.244 378 E CA 1.214 57.693 56.400 0.132 0.000 2.281 378 E CB -1.598 28.160 29.700 0.097 0.000 1.825 378 E HN 0.779 nan 8.360 nan 0.000 0.420 379 G N 0.586 109.406 108.800 0.033 0.000 5.452 379 G HA2 -0.473 3.509 3.960 0.036 0.000 0.310 379 G HA3 -0.473 3.509 3.960 0.036 0.000 0.310 379 G C 0.523 175.414 174.900 -0.015 0.000 1.392 379 G CA 1.456 46.538 45.100 -0.030 0.000 0.942 379 G HN 0.890 nan 8.290 nan 0.000 0.776 385 S N -0.489 115.237 115.700 0.043 0.000 2.687 385 S HA 0.312 4.804 4.470 0.036 0.000 0.247 385 S C 0.726 175.352 174.600 0.043 0.000 1.050 385 S CA 0.984 59.207 58.200 0.038 0.000 1.063 385 S CB -0.222 62.998 63.200 0.033 0.000 1.039 385 S HN 1.186 nan 8.310 nan 0.000 0.580 386 T N -0.306 114.280 114.554 0.054 0.000 2.949 386 T HA 0.916 5.288 4.350 0.036 0.000 0.287 386 T C -0.344 174.392 174.700 0.060 0.000 1.034 386 T CA -0.394 61.740 62.100 0.057 0.000 1.018 386 T CB 1.655 70.565 68.868 0.070 0.000 1.135 386 T HN 0.886 nan 8.240 nan 0.000 0.532 387 A N 0.199 123.053 122.820 0.056 0.000 2.610 387 A HA 0.757 5.099 4.320 0.036 0.000 0.291 387 A C -1.476 176.137 177.584 0.048 0.000 1.086 387 A CA -0.799 51.271 52.037 0.055 0.000 0.677 387 A CB 1.543 20.570 19.000 0.044 0.000 1.278 387 A HN 0.956 nan 8.150 nan 0.000 0.414 388 V N 0.255 120.197 119.914 0.047 0.000 2.709 388 V HA 0.632 4.774 4.120 0.036 0.000 0.308 388 V C -0.960 175.151 176.094 0.027 0.000 1.062 388 V CA -0.496 61.823 62.300 0.032 0.000 0.901 388 V CB 1.908 33.747 31.823 0.027 0.000 1.003 388 V HN 0.795 nan 8.190 nan 0.000 0.425 389 V N 6.003 125.927 119.914 0.016 0.000 2.409 389 V HA 0.503 4.645 4.120 0.036 0.000 0.290 389 V C -0.449 175.647 176.094 0.004 0.000 1.017 389 V CA -0.264 62.044 62.300 0.014 0.000 0.841 389 V CB 1.690 33.520 31.823 0.013 0.000 1.003 389 V HN 0.692 nan 8.190 nan 0.000 0.426 390 I N 4.796 125.368 120.570 0.004 0.000 2.371 390 I HA 0.635 4.827 4.170 0.036 0.000 0.282 390 I C 0.541 176.656 176.117 -0.002 0.000 1.031 390 I CA -0.294 61.002 61.300 -0.006 0.000 1.180 390 I CB 1.436 39.429 38.000 -0.011 0.000 1.336 390 I HN 0.645 nan 8.210 nan 0.000 0.467 391 A N 4.211 127.028 122.820 -0.005 0.000 2.306 391 A HA 0.692 5.034 4.320 0.036 0.000 0.314 391 A C 0.954 178.534 177.584 -0.007 0.000 1.164 391 A CA 0.051 52.087 52.037 -0.003 0.000 0.822 391 A CB 0.826 19.825 19.000 -0.002 0.000 1.130 391 A HN 1.070 nan 8.150 nan 0.000 0.496 392 G N 0.795 109.592 108.800 -0.005 0.000 2.295 392 G HA2 -0.213 3.769 3.960 0.036 0.000 0.287 392 G HA3 -0.213 3.769 3.960 0.036 0.000 0.287 392 G C 0.128 175.022 174.900 -0.010 0.000 1.055 392 G CA 0.780 45.876 45.100 -0.007 0.000 0.922 392 G HN 1.171 nan 8.290 nan 0.000 0.503 393 R N -0.733 119.762 120.500 -0.008 0.000 2.437 393 R HA 0.675 5.037 4.340 0.036 0.000 0.310 393 R C -0.846 175.450 176.300 -0.007 0.000 0.955 393 R CA -0.260 55.832 56.100 -0.012 0.000 0.851 393 R CB 1.646 31.936 30.300 -0.016 0.000 1.161 393 R HN 0.267 nan 8.270 nan 0.000 0.446 394 S N 5.950 121.645 115.700 -0.010 0.000 2.652 394 S HA 0.364 4.855 4.470 0.036 0.000 0.252 394 S C -0.585 174.009 174.600 -0.010 0.000 1.219 394 S CA -0.723 57.473 58.200 -0.005 0.000 1.151 394 S CB 0.371 63.568 63.200 -0.005 0.000 1.080 394 S HN 0.569 nan 8.310 nan 0.000 0.481 395 L N 2.979 124.197 121.223 -0.008 0.000 2.456 395 L HA 0.474 4.836 4.340 0.036 0.000 0.257 395 L C 1.103 177.968 176.870 -0.009 0.000 1.162 395 L CA -1.020 53.812 54.840 -0.014 0.000 0.808 395 L CB 0.339 42.388 42.059 -0.017 0.000 1.136 395 L HN 0.542 nan 8.230 nan 0.000 0.466 396 N N 2.748 121.440 118.700 -0.014 0.000 2.411 396 N HA -0.012 4.750 4.740 0.036 0.000 0.261 396 N C -1.593 173.914 175.510 -0.005 0.000 1.248 396 N CA -0.985 52.059 53.050 -0.010 0.000 0.885 396 N CB 1.119 39.598 38.487 -0.014 0.000 1.062 396 N HN 0.358 nan 8.380 nan 0.000 0.471 397 P HA -0.061 nan 4.420 nan 0.000 0.225 397 P C -0.124 177.178 177.300 0.003 0.000 1.148 397 P CA 0.905 64.008 63.100 0.004 0.000 0.779 397 P CB 0.441 32.143 31.700 0.003 0.000 0.780 398 N N 0.463 119.162 118.700 -0.001 0.000 2.380 398 N HA 0.071 4.833 4.740 0.036 0.000 0.255 398 N C 0.485 175.991 175.510 -0.008 0.000 1.158 398 N CA -0.158 52.890 53.050 -0.002 0.000 0.878 398 N CB 0.161 38.647 38.487 -0.003 0.000 1.138 398 N HN 0.409 nan 8.380 nan 0.000 0.509 399 R N -0.781 119.713 120.500 -0.011 0.000 2.582 399 R HA 0.353 4.714 4.340 0.036 0.000 0.271 399 R C 0.349 176.628 176.300 -0.034 0.000 1.078 399 R CA -0.544 55.540 56.100 -0.027 0.000 1.127 399 R CB 0.758 31.039 30.300 -0.031 0.000 1.038 399 R HN -0.163 nan 8.270 nan 0.000 0.500 400 V N 1.869 121.740 119.914 -0.071 0.000 2.614 400 V HA 0.251 4.392 4.120 0.036 0.000 0.291 400 V C -0.026 176.006 176.094 -0.103 0.000 1.049 400 V CA 0.433 62.675 62.300 -0.096 0.000 1.038 400 V CB 1.216 32.928 31.823 -0.186 0.000 0.980 400 V HN 1.018 nan 8.190 nan 0.000 0.481 401 T N 4.797 119.332 114.554 -0.031 0.000 2.912 401 T HA 0.647 5.018 4.350 0.036 0.000 0.288 401 T C -1.037 173.726 174.700 0.106 0.000 1.030 401 T CA -0.612 61.510 62.100 0.037 0.000 1.020 401 T CB 1.474 70.405 68.868 0.105 0.000 1.056 401 T HN 0.855 nan 8.240 nan 0.000 0.480 402 F N 2.429 122.358 119.950 -0.035 0.000 2.610 402 F HA 0.564 5.111 4.527 0.033 0.000 0.355 402 F C -0.431 175.399 175.800 0.049 0.000 1.140 402 F CA -0.869 57.119 58.000 -0.019 0.000 1.037 402 F CB 1.264 40.214 39.000 -0.084 0.000 1.287 402 F HN 0.682 nan 8.300 nan 0.000 0.457 403 K N 5.038 125.393 120.400 -0.076 0.000 2.347 403 K HA 0.649 4.991 4.320 0.036 0.000 0.262 403 K C -0.321 176.155 176.600 -0.206 0.000 1.052 403 K CA -0.483 55.796 56.287 -0.013 0.000 0.946 403 K CB 1.074 33.510 32.500 -0.108 0.000 1.220 403 K HN 0.668 nan 8.250 nan 0.000 0.450 404 A N 4.426 127.170 122.820 -0.127 0.000 3.077 404 A HA 0.047 4.389 4.320 0.036 0.000 0.255 404 A C 0.163 177.823 177.584 0.127 0.000 1.728 404 A CA -0.466 51.460 52.037 -0.185 0.000 1.383 404 A CB -0.627 18.124 19.000 -0.414 0.000 1.097 404 A HN 0.828 nan 8.150 nan 0.000 0.634 405 N N 0.785 119.497 118.700 0.021 0.000 2.279 405 N HA 0.071 4.833 4.740 0.036 0.000 0.226 405 N C 0.034 175.179 175.510 -0.608 0.000 1.126 405 N CA -0.286 52.773 53.050 0.016 0.000 0.846 405 N CB -0.041 38.483 38.487 0.062 0.000 1.050 405 N HN 0.740 nan 8.380 nan 0.000 0.502 406 R N -1.998 118.165 120.500 -0.560 0.000 2.739 406 R HA 0.607 4.969 4.340 0.036 0.000 0.271 406 R C -3.300 172.978 176.300 -0.037 0.000 1.010 406 R CA -1.865 53.816 56.100 -0.699 0.000 0.897 406 R CB 0.221 30.342 30.300 -0.298 0.000 1.236 406 R HN -0.222 nan 8.270 nan 0.000 0.466 407 P HA -0.054 nan 4.420 nan 0.000 0.264 407 P C -1.240 176.219 177.300 0.266 0.000 1.179 407 P CA 0.497 63.763 63.100 0.276 0.000 0.763 407 P CB 0.124 31.907 31.700 0.140 0.000 0.806 408 F N 0.145 120.187 119.950 0.153 0.000 2.668 408 F HA 0.583 5.130 4.527 0.033 0.000 0.309 408 F C -1.591 174.302 175.800 0.154 0.000 1.117 408 F CA -1.515 56.570 58.000 0.141 0.000 0.951 408 F CB 0.717 39.811 39.000 0.157 0.000 1.323 408 F HN -0.051 nan 8.300 nan 0.000 0.451 409 L N 2.471 123.890 121.223 0.326 0.000 2.399 409 L HA 0.794 5.156 4.340 0.036 0.000 0.266 409 L C -0.463 176.654 176.870 0.412 0.000 1.114 409 L CA -1.331 53.642 54.840 0.221 0.000 0.804 409 L CB 1.602 43.833 42.059 0.286 0.000 1.146 409 L HN 0.711 nan 8.230 nan 0.000 0.451 410 V N 2.170 122.198 119.914 0.191 0.000 2.760 410 V HA 0.612 4.754 4.120 0.036 0.000 0.309 410 V C -1.449 174.757 176.094 0.187 0.000 1.077 410 V CA -0.308 62.236 62.300 0.406 0.000 0.910 410 V CB 1.975 34.066 31.823 0.446 0.000 1.008 410 V HN 0.500 nan 8.190 nan 0.000 0.424 411 F N 5.514 125.636 119.950 0.286 0.000 2.588 411 F HA 0.670 5.218 4.527 0.035 0.000 0.314 411 F C -0.061 175.915 175.800 0.293 0.000 1.069 411 F CA -0.972 57.177 58.000 0.248 0.000 0.931 411 F CB 2.210 41.309 39.000 0.165 0.000 1.260 411 F HN 0.276 nan 8.300 nan 0.000 0.465 412 I N 3.759 124.609 120.570 0.466 0.000 2.495 412 I HA 0.388 4.580 4.170 0.036 0.000 0.277 412 I C -0.690 175.568 176.117 0.236 0.000 1.045 412 I CA -0.576 60.932 61.300 0.347 0.000 1.135 412 I CB 1.040 39.212 38.000 0.286 0.000 1.241 412 I HN 0.621 nan 8.210 nan 0.000 0.469 413 R N 3.891 124.518 120.500 0.211 0.000 2.787 413 R HA 0.546 4.907 4.340 0.036 0.000 0.271 413 R C -0.495 175.860 176.300 0.091 0.000 0.993 413 R CA -0.811 55.369 56.100 0.134 0.000 0.993 413 R CB 2.142 32.524 30.300 0.135 0.000 1.155 413 R HN 0.241 nan 8.270 nan 0.000 0.486 414 E N 2.896 123.126 120.200 0.050 0.000 2.042 414 E HA 0.095 4.467 4.350 0.036 0.000 0.260 414 E C 0.769 177.403 176.600 0.057 0.000 0.975 414 E CA -0.366 56.058 56.400 0.040 0.000 0.799 414 E CB 1.261 30.956 29.700 -0.009 0.000 1.131 414 E HN 0.599 nan 8.360 nan 0.000 0.423 415 V N 6.613 126.577 119.914 0.083 0.000 2.214 415 V HA -0.220 3.922 4.120 0.036 0.000 0.247 415 V C -0.666 175.486 176.094 0.097 0.000 1.051 415 V CA 2.235 64.589 62.300 0.090 0.000 1.003 415 V CB -1.533 30.347 31.823 0.094 0.000 0.635 415 V HN 0.563 nan 8.190 nan 0.000 0.447 416 P HA -0.207 nan 4.420 nan 0.000 0.219 416 P C 1.565 178.935 177.300 0.116 0.000 1.153 416 P CA 1.885 65.037 63.100 0.087 0.000 0.865 416 P CB -0.131 31.605 31.700 0.060 0.000 0.788 417 L N -2.030 119.244 121.223 0.085 0.000 2.607 417 L HA 0.182 4.543 4.340 0.036 0.000 0.228 417 L C 0.874 177.779 176.870 0.058 0.000 1.123 417 L CA -0.016 54.870 54.840 0.077 0.000 0.890 417 L CB -0.826 41.235 42.059 0.003 0.000 1.103 417 L HN 0.010 nan 8.230 nan 0.000 0.468 418 N N 1.562 120.308 118.700 0.076 0.000 2.725 418 N HA -0.151 4.610 4.740 0.036 0.000 0.251 418 N C -0.562 174.910 175.510 -0.064 0.000 1.031 418 N CA 0.862 53.919 53.050 0.012 0.000 0.720 418 N CB -0.595 37.858 38.487 -0.057 0.000 0.930 418 N HN 0.173 nan 8.380 nan 0.000 0.543 419 T N 1.323 115.863 114.554 -0.024 0.000 2.829 419 T HA 0.522 4.893 4.350 0.036 0.000 0.280 419 T C 0.788 175.499 174.700 0.019 0.000 0.999 419 T CA -0.481 61.601 62.100 -0.029 0.000 0.983 419 T CB 1.450 70.288 68.868 -0.049 0.000 0.968 419 T HN 0.119 nan 8.240 nan 0.000 0.446 420 I N 4.309 124.905 120.570 0.044 0.000 2.301 420 I HA 0.247 4.439 4.170 0.036 0.000 0.292 420 I C 1.091 177.232 176.117 0.040 0.000 1.046 420 I CA -0.213 61.150 61.300 0.105 0.000 1.282 420 I CB 0.710 38.809 38.000 0.164 0.000 1.409 420 I HN 0.686 nan 8.210 nan 0.000 0.484 421 I N 5.409 125.987 120.570 0.013 0.000 2.494 421 I HA 0.058 4.250 4.170 0.036 0.000 0.250 421 I C 0.087 175.937 176.117 -0.445 0.000 1.112 421 I CA 1.000 62.184 61.300 -0.193 0.000 1.438 421 I CB 0.106 38.008 38.000 -0.164 0.000 1.111 421 I HN 0.315 nan 8.210 nan 0.000 0.431 422 F N 0.793 120.767 119.950 0.040 0.000 2.613 422 F HA 0.587 5.139 4.527 0.040 0.000 0.310 422 F C -0.121 175.633 175.800 -0.076 0.000 1.085 422 F CA -0.936 57.019 58.000 -0.075 0.000 0.945 422 F CB 1.851 40.856 39.000 0.009 0.000 1.298 422 F HN -0.213 nan 8.300 nan 0.000 0.455 423 M N 0.906 120.463 119.600 -0.072 0.000 2.683 423 M HA 1.016 5.517 4.480 0.036 0.000 0.274 423 M C -0.848 175.369 176.300 -0.138 0.000 1.272 423 M CA -0.512 54.639 55.300 -0.249 0.000 0.833 423 M CB 2.597 34.903 32.600 -0.491 0.000 1.708 423 M HN 0.797 nan 8.290 nan 0.000 0.463 424 G N 0.536 109.224 108.800 -0.187 0.000 2.335 424 G HA2 0.479 4.460 3.960 0.036 0.000 0.291 424 G HA3 0.479 4.460 3.960 0.036 0.000 0.291 424 G C -2.373 172.537 174.900 0.017 0.000 1.261 424 G CA -0.926 44.256 45.100 0.138 0.000 0.871 424 G HN 0.919 nan 8.290 nan 0.000 0.491 425 R N -0.539 120.008 120.500 0.078 0.000 2.584 425 R HA 0.571 4.933 4.340 0.036 0.000 0.276 425 R C -1.807 174.341 176.300 -0.254 0.000 1.046 425 R CA -0.528 55.534 56.100 -0.064 0.000 0.906 425 R CB 2.192 32.538 30.300 0.077 0.000 1.215 425 R HN 0.486 nan 8.270 nan 0.000 0.449 426 V N 4.321 123.884 119.914 -0.585 0.000 2.257 426 V HA 0.335 4.477 4.120 0.036 0.000 0.269 426 V C 0.766 176.538 176.094 -0.538 0.000 1.040 426 V CA -0.026 61.786 62.300 -0.814 0.000 0.813 426 V CB 0.854 31.786 31.823 -1.484 0.000 1.065 426 V HN 0.915 nan 8.190 nan 0.000 0.457 427 A N 3.826 126.476 122.820 -0.283 0.000 2.267 427 A HA 0.301 4.642 4.320 0.036 0.000 0.213 427 A C 0.846 178.408 177.584 -0.037 0.000 1.192 427 A CA 0.315 52.323 52.037 -0.049 0.000 0.851 427 A CB -0.003 18.982 19.000 -0.025 0.000 0.881 427 A HN 0.632 nan 8.150 nan 0.000 0.494 428 N N -0.626 117.865 118.700 -0.347 0.000 3.321 428 N HA 0.099 4.861 4.740 0.036 0.000 0.217 428 N C -2.947 172.255 175.510 -0.515 0.000 1.405 428 N CA -0.620 52.172 53.050 -0.430 0.000 0.799 428 N CB 1.322 39.718 38.487 -0.152 0.000 1.619 428 N HN -0.040 nan 8.380 nan 0.000 0.648 429 P HA 0.153 nan 4.420 nan 0.000 0.245 429 P C 0.672 177.841 177.300 -0.218 0.000 1.206 429 P CA 0.060 62.899 63.100 -0.434 0.000 0.781 429 P CB 0.219 31.653 31.700 -0.444 0.000 0.994 430 c N 0.675 119.130 118.600 -0.242 0.000 2.934 430 c HA 0.213 4.805 4.570 0.036 0.000 0.289 430 c C 1.466 175.529 174.090 -0.046 0.000 1.390 430 c CA -0.036 56.235 56.329 -0.096 0.000 1.947 430 c CB -0.140 42.334 42.510 -0.060 0.000 2.186 430 c HN 0.245 nan 8.230 nan 0.000 0.702 431 V N 0.000 119.902 119.914 -0.019 0.000 2.409 431 V HA 0.000 4.142 4.120 0.036 0.000 0.244 431 V CA 0.000 62.297 62.300 -0.005 0.000 1.235 431 V CB 0.000 31.826 31.823 0.006 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556