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 2gd4_1_I DATA FIRST_RESID 5 DATA SEQUENCE VDIcTAKPRD IPMNPMcIYR SPXXXXXXXX XXEQKIPEAT NRRVWELSKA DATA SEQUENCE NSRFATTFYQ HLADSKNDND NIFLSPLSIS TAFAMTKLGA cNDTLQQLME DATA SEQUENCE VFKFDTISEK TSDQIHFFFA KLNcRLYRKA NKASKLVSAN 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 SPAASALPGI DATA SEQUENCE VAEGRDDLYV SDAFHKAFLE VNEEGSEAAA 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 0.000 176.085 176.094 -0.015 0.000 1.182 5 V CA 0.000 62.297 62.300 -0.005 0.000 1.235 5 V CB 0.000 31.824 31.823 0.002 0.000 1.184 6 D N 3.162 123.555 120.400 -0.012 0.000 2.408 6 D HA 0.381 5.021 4.640 -0.000 0.000 0.243 6 D C 1.088 177.371 176.300 -0.027 0.000 1.075 6 D CA -0.527 53.458 54.000 -0.025 0.000 0.832 6 D CB 1.941 42.731 40.800 -0.017 0.000 1.162 6 D HN 0.582 nan 8.370 nan 0.000 0.515 7 I N 1.396 121.924 120.570 -0.069 0.000 2.361 7 I HA -0.170 4.000 4.170 -0.000 0.000 0.251 7 I C 1.707 177.758 176.117 -0.110 0.000 1.133 7 I CA 0.875 62.098 61.300 -0.128 0.000 1.413 7 I CB -1.918 35.923 38.000 -0.265 0.000 1.073 7 I HN 0.300 nan 8.210 nan 0.000 0.424 8 c N 1.807 120.367 118.600 -0.067 0.000 2.443 8 c HA 0.033 4.603 4.570 -0.000 0.000 0.290 8 c C 1.670 175.774 174.090 0.022 0.000 1.476 8 c CA 1.146 57.462 56.329 -0.021 0.000 1.772 8 c CB -2.350 40.160 42.510 -0.000 0.000 1.714 8 c HN 0.801 nan 8.230 nan 0.000 0.562 9 T N -3.323 111.248 114.554 0.029 0.000 4.130 9 T HA 0.585 4.935 4.350 -0.000 0.000 0.262 9 T C -0.537 174.201 174.700 0.064 0.000 0.951 9 T CA 0.337 62.468 62.100 0.051 0.000 1.180 9 T CB -0.068 68.823 68.868 0.038 0.000 1.009 9 T HN 0.385 nan 8.240 nan 0.000 0.536 10 A N 1.566 124.448 122.820 0.105 0.000 2.768 10 A HA 0.638 4.958 4.320 -0.000 0.000 0.298 10 A C -0.294 177.446 177.584 0.260 0.000 1.159 10 A CA -1.012 51.106 52.037 0.134 0.000 0.783 10 A CB 0.599 19.663 19.000 0.108 0.000 1.333 10 A HN 0.410 nan 8.150 nan 0.000 0.412 11 K N 2.094 122.571 120.400 0.128 0.000 2.494 11 K HA 0.274 4.594 4.320 -0.000 0.000 0.273 11 K C -2.357 174.049 176.600 -0.325 0.000 0.970 11 K CA -0.470 55.793 56.287 -0.040 0.000 0.963 11 K CB 0.070 32.530 32.500 -0.067 0.000 0.913 11 K HN 0.380 nan 8.250 nan 0.000 0.502 12 P HA 0.027 nan 4.420 nan 0.000 0.291 12 P C -0.572 176.486 177.300 -0.404 0.000 1.287 12 P CA -0.379 62.099 63.100 -1.038 0.000 0.767 12 P CB 0.428 31.301 31.700 -1.379 0.000 1.290 13 R N -0.783 119.551 120.500 -0.276 0.000 3.591 13 R HA -0.240 4.100 4.340 -0.000 0.000 0.268 13 R C -0.057 176.187 176.300 -0.095 0.000 1.102 13 R CA 1.141 57.159 56.100 -0.138 0.000 0.732 13 R CB -2.522 27.705 30.300 -0.121 0.000 1.117 13 R HN 0.581 nan 8.270 nan 0.000 0.472 14 D N -0.449 119.900 120.400 -0.085 0.000 2.525 14 D HA 0.143 4.783 4.640 -0.000 0.000 0.231 14 D C 0.191 176.488 176.300 -0.005 0.000 1.216 14 D CA -0.134 53.845 54.000 -0.035 0.000 0.813 14 D CB 0.573 41.359 40.800 -0.023 0.000 1.108 14 D HN 0.260 nan 8.370 nan 0.000 0.524 15 I N -2.211 118.355 120.570 -0.007 0.000 2.913 15 I HA 0.515 4.685 4.170 -0.000 0.000 0.302 15 I C -2.871 173.254 176.117 0.013 0.000 1.246 15 I CA -2.483 58.829 61.300 0.020 0.000 1.010 15 I CB 0.853 38.891 38.000 0.062 0.000 1.259 15 I HN -0.286 nan 8.210 nan 0.000 0.434 16 P HA 0.156 nan 4.420 nan 0.000 0.253 16 P C -0.028 177.292 177.300 0.034 0.000 1.159 16 P CA 0.570 63.681 63.100 0.018 0.000 0.779 16 P CB -0.031 31.679 31.700 0.016 0.000 0.745 17 M N 2.183 121.799 119.600 0.025 0.000 2.653 17 M HA 0.320 4.800 4.480 -0.000 0.000 0.262 17 M C 0.658 176.990 176.300 0.053 0.000 1.002 17 M CA -0.698 54.627 55.300 0.042 0.000 1.084 17 M CB -1.063 31.529 32.600 -0.015 0.000 1.511 17 M HN 0.435 nan 8.290 nan 0.000 0.612 18 N N 1.598 120.332 118.700 0.055 0.000 2.676 18 N HA -0.115 4.625 4.740 -0.000 0.000 0.290 18 N C -2.217 173.332 175.510 0.066 0.000 1.109 18 N CA 0.184 53.267 53.050 0.057 0.000 0.779 18 N CB -1.030 37.476 38.487 0.031 0.000 0.947 18 N HN 0.832 nan 8.380 nan 0.000 0.566 19 P HA 0.129 nan 4.420 nan 0.000 0.323 19 P C 0.064 177.405 177.300 0.068 0.000 1.319 19 P CA -0.190 62.959 63.100 0.081 0.000 0.741 19 P CB 0.424 32.186 31.700 0.103 0.000 1.545 20 M N -1.599 118.041 119.600 0.066 0.000 2.314 20 M HA 0.420 4.900 4.480 -0.000 0.000 0.342 20 M C 0.468 176.806 176.300 0.064 0.000 1.171 20 M CA -0.701 54.632 55.300 0.055 0.000 1.098 20 M CB -1.048 31.578 32.600 0.045 0.000 1.559 20 M HN 0.532 nan 8.290 nan 0.000 0.459 21 c N 2.921 121.556 118.600 0.058 0.000 1.444 21 c HA -0.011 4.559 4.570 -0.000 0.000 0.202 21 c C -0.066 174.079 174.090 0.092 0.000 0.749 21 c CA 0.654 57.024 56.329 0.069 0.000 3.393 21 c CB -3.152 39.401 42.510 0.070 0.000 1.918 21 c HN 2.064 nan 8.230 nan 0.000 0.218 22 I N 2.862 123.487 120.570 0.091 0.000 2.447 22 I HA 0.670 4.840 4.170 -0.000 0.000 0.287 22 I C -0.462 175.735 176.117 0.134 0.000 1.023 22 I CA -0.836 60.534 61.300 0.117 0.000 1.083 22 I CB 0.872 38.924 38.000 0.086 0.000 1.245 22 I HN 0.545 nan 8.210 nan 0.000 0.434 23 Y N 6.529 126.861 120.300 0.054 0.000 2.397 23 Y HA 0.660 5.210 4.550 0.000 0.000 0.335 23 Y C -0.373 175.555 175.900 0.048 0.000 1.213 23 Y CA 0.162 58.294 58.100 0.053 0.000 1.391 23 Y CB 0.625 39.127 38.460 0.069 0.000 1.293 23 Y HN 0.598 nan 8.280 nan 0.000 0.557 24 R N 3.122 123.143 120.500 -0.799 0.000 2.621 24 R HA 0.307 4.647 4.340 -0.000 0.000 0.284 24 R C -1.154 174.634 176.300 -0.853 0.000 0.998 24 R CA -0.875 54.889 56.100 -0.561 0.000 0.895 24 R CB 1.608 31.753 30.300 -0.259 0.000 1.195 24 R HN 0.832 nan 8.270 nan 0.000 0.450 25 S N 1.992 117.489 115.700 -0.338 0.000 2.513 25 S HA 0.537 5.007 4.470 -0.000 0.000 0.276 25 S C -1.585 172.964 174.600 -0.085 0.000 1.254 25 S CA -0.972 57.156 58.200 -0.120 0.000 1.053 25 S CB 0.355 63.623 63.200 0.113 0.000 0.958 25 S HN 0.332 nan 8.310 nan 0.000 0.491 38 Q N -0.893 118.940 119.800 0.055 0.000 2.412 38 Q HA -0.114 4.226 4.340 -0.000 0.000 0.305 38 Q C 0.099 176.086 176.000 -0.022 0.000 1.278 38 Q CA 1.178 57.043 55.803 0.104 0.000 0.910 38 Q CB -2.088 26.797 28.738 0.245 0.000 1.000 38 Q HN 1.688 nan 8.270 nan 0.000 0.299 39 K N 4.104 124.470 120.400 -0.058 0.000 2.218 39 K HA 0.619 4.939 4.320 -0.000 0.000 0.276 39 K C 0.198 176.597 176.600 -0.334 0.000 1.022 39 K CA -0.050 56.134 56.287 -0.173 0.000 0.946 39 K CB 0.757 33.199 32.500 -0.096 0.000 1.000 39 K HN 0.470 nan 8.250 nan 0.000 0.468 40 I N 3.515 123.791 120.570 -0.489 0.000 2.496 40 I HA 0.174 4.344 4.170 -0.000 0.000 0.285 40 I C -1.704 174.225 176.117 -0.313 0.000 1.080 40 I CA -1.649 59.255 61.300 -0.661 0.000 1.404 40 I CB 1.107 38.753 38.000 -0.591 0.000 1.403 40 I HN 0.629 nan 8.210 nan 0.000 0.539 41 P HA 0.160 nan 4.420 nan 0.000 0.280 41 P C 0.352 177.627 177.300 -0.040 0.000 1.278 41 P CA -0.211 62.859 63.100 -0.050 0.000 0.787 41 P CB 0.296 32.031 31.700 0.058 0.000 1.163 42 E N -0.252 119.949 120.200 0.002 0.000 2.901 42 E HA 0.290 4.640 4.350 -0.000 0.000 0.284 42 E C 0.652 177.261 176.600 0.014 0.000 1.473 42 E CA 0.084 56.488 56.400 0.007 0.000 1.292 42 E CB -1.202 28.512 29.700 0.023 0.000 1.013 42 E HN 0.702 nan 8.360 nan 0.000 0.654 43 A N 0.788 123.622 122.820 0.023 0.000 2.320 43 A HA 0.320 4.640 4.320 -0.000 0.000 0.309 43 A C 0.267 177.881 177.584 0.050 0.000 1.019 43 A CA 1.462 53.520 52.037 0.034 0.000 1.241 43 A CB -1.503 17.523 19.000 0.042 0.000 0.775 43 A HN 0.875 nan 8.150 nan 0.000 0.411 44 T N 1.992 116.570 114.554 0.039 0.000 2.886 44 T HA 0.269 4.619 4.350 -0.000 0.000 0.330 44 T C -0.740 173.987 174.700 0.046 0.000 1.488 44 T CA -0.913 61.226 62.100 0.064 0.000 1.054 44 T CB 1.077 69.992 68.868 0.078 0.000 1.348 44 T HN 0.643 nan 8.240 nan 0.000 0.489 45 N N 1.727 120.478 118.700 0.085 0.000 2.434 45 N HA 0.156 4.896 4.740 -0.000 0.000 0.272 45 N C 1.316 176.854 175.510 0.047 0.000 1.040 45 N CA -0.581 52.512 53.050 0.071 0.000 0.956 45 N CB 1.231 39.801 38.487 0.137 0.000 1.108 45 N HN 0.554 nan 8.380 nan 0.000 0.481 46 R N 4.475 124.961 120.500 -0.022 0.000 2.140 46 R HA -0.181 4.159 4.340 -0.000 0.000 0.250 46 R C 1.164 177.491 176.300 0.044 0.000 1.150 46 R CA 1.768 57.841 56.100 -0.046 0.000 0.966 46 R CB -0.220 30.026 30.300 -0.090 0.000 0.869 46 R HN 0.687 nan 8.270 nan 0.000 0.445 47 R N -0.401 120.044 120.500 -0.091 0.000 2.070 47 R HA -0.075 4.265 4.340 -0.000 0.000 0.233 47 R C 2.452 178.657 176.300 -0.159 0.000 1.137 47 R CA 1.647 57.581 56.100 -0.277 0.000 0.945 47 R CB -0.573 29.223 30.300 -0.840 0.000 0.845 47 R HN 0.067 nan 8.270 nan 0.000 0.430 48 V N 0.396 120.291 119.914 -0.032 0.000 2.220 48 V HA -0.304 3.816 4.120 -0.000 0.000 0.250 48 V C 1.953 178.120 176.094 0.122 0.000 1.056 48 V CA 2.143 64.487 62.300 0.074 0.000 1.016 48 V CB -0.750 31.171 31.823 0.164 0.000 0.639 48 V HN 0.559 nan 8.190 nan 0.000 0.446 49 W N 0.886 122.171 121.300 -0.025 0.000 2.336 49 W HA -0.229 4.431 4.660 -0.000 0.000 0.277 49 W C 2.319 178.823 176.519 -0.025 0.000 1.211 49 W CA 2.166 59.506 57.345 -0.009 0.000 1.187 49 W CB 0.081 29.537 29.460 -0.007 0.000 1.132 49 W HN 0.424 nan 8.180 nan 0.000 0.562 50 E N -0.197 120.105 120.200 0.169 0.000 2.038 50 E HA -0.196 4.154 4.350 -0.000 0.000 0.190 50 E C 2.086 178.615 176.600 -0.119 0.000 0.967 50 E CA 0.946 57.344 56.400 -0.004 0.000 0.816 50 E CB -0.699 29.039 29.700 0.063 0.000 0.784 50 E HN 0.165 nan 8.360 nan 0.000 0.456 51 L N 1.241 122.372 121.223 -0.154 0.000 2.263 51 L HA -0.185 4.155 4.340 -0.000 0.000 0.216 51 L C 2.305 179.105 176.870 -0.117 0.000 1.111 51 L CA 1.795 56.482 54.840 -0.255 0.000 0.773 51 L CB -0.549 41.211 42.059 -0.499 0.000 0.906 51 L HN 0.135 nan 8.230 nan 0.000 0.439 52 S N -0.818 114.839 115.700 -0.070 0.000 2.336 52 S HA -0.179 4.291 4.470 -0.000 0.000 0.216 52 S C 2.049 176.620 174.600 -0.049 0.000 1.032 52 S CA 1.173 59.369 58.200 -0.007 0.000 0.973 52 S CB -0.163 63.019 63.200 -0.029 0.000 0.888 52 S HN 0.484 nan 8.310 nan 0.000 0.455 53 K N 0.993 121.256 120.400 -0.228 0.000 2.281 53 K HA -0.010 4.310 4.320 -0.000 0.000 0.203 53 K C 2.195 178.741 176.600 -0.091 0.000 1.046 53 K CA 0.955 57.088 56.287 -0.258 0.000 0.938 53 K CB -0.343 31.839 32.500 -0.532 0.000 0.737 53 K HN 0.476 nan 8.250 nan 0.000 0.458 54 A N 1.710 124.523 122.820 -0.012 0.000 1.855 54 A HA -0.247 4.073 4.320 -0.000 0.000 0.215 54 A C 1.953 179.652 177.584 0.192 0.000 1.191 54 A CA 1.920 54.019 52.037 0.102 0.000 0.613 54 A CB -0.770 18.346 19.000 0.193 0.000 0.829 54 A HN 0.346 nan 8.150 nan 0.000 0.442 55 N N 0.109 118.974 118.700 0.274 0.000 2.060 55 N HA -0.168 4.572 4.740 -0.000 0.000 0.195 55 N C 1.894 177.565 175.510 0.269 0.000 1.028 55 N CA 2.123 55.393 53.050 0.367 0.000 0.861 55 N CB -0.328 38.376 38.487 0.362 0.000 1.029 55 N HN 0.343 nan 8.380 nan 0.000 0.428 56 S N 0.001 115.783 115.700 0.138 0.000 2.368 56 S HA -0.178 4.292 4.470 -0.000 0.000 0.226 56 S C 1.877 176.522 174.600 0.075 0.000 1.044 56 S CA 1.296 59.539 58.200 0.071 0.000 1.062 56 S CB -0.337 62.856 63.200 -0.012 0.000 0.931 56 S HN 0.389 nan 8.310 nan 0.000 0.440 57 R N -0.474 120.069 120.500 0.072 0.000 2.096 57 R HA -0.159 4.181 4.340 -0.000 0.000 0.240 57 R C 2.139 178.508 176.300 0.116 0.000 1.139 57 R CA 1.938 58.077 56.100 0.065 0.000 0.952 57 R CB -0.511 29.823 30.300 0.057 0.000 0.854 57 R HN 0.481 nan 8.270 nan 0.000 0.436 58 F N 1.084 121.043 119.950 0.015 0.000 2.146 58 F HA -0.068 4.459 4.527 -0.000 0.000 0.298 58 F C 2.191 178.039 175.800 0.079 0.000 1.096 58 F CA 1.087 59.094 58.000 0.011 0.000 1.275 58 F CB -0.587 38.415 39.000 0.003 0.000 1.008 58 F HN -0.017 nan 8.300 nan 0.000 0.480 59 A N 0.290 123.050 122.820 -0.100 0.000 1.917 59 A HA -0.286 4.034 4.320 -0.000 0.000 0.219 59 A C 2.305 179.859 177.584 -0.051 0.000 1.182 59 A CA 3.099 55.036 52.037 -0.167 0.000 0.633 59 A CB -1.732 17.289 19.000 0.034 0.000 0.819 59 A HN 0.587 nan 8.150 nan 0.000 0.448 60 T N -2.891 111.671 114.554 0.013 0.000 2.701 60 T HA -0.154 4.196 4.350 -0.000 0.000 0.263 60 T C 1.864 176.605 174.700 0.068 0.000 1.040 60 T CA 2.091 64.232 62.100 0.068 0.000 1.147 60 T CB -1.361 67.524 68.868 0.028 0.000 0.865 60 T HN 0.378 nan 8.240 nan 0.000 0.426 61 T N 1.640 116.199 114.554 0.008 0.000 2.597 61 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 61 T C 1.387 176.145 174.700 0.097 0.000 1.053 61 T CA 1.773 63.884 62.100 0.019 0.000 1.165 61 T CB -0.959 67.936 68.868 0.046 0.000 0.863 61 T HN 0.418 nan 8.240 nan 0.000 0.427 62 F N 0.502 120.335 119.950 -0.194 0.000 2.043 62 F HA -0.251 4.276 4.527 -0.000 0.000 0.297 62 F C 2.354 178.118 175.800 -0.059 0.000 1.121 62 F CA 1.720 59.594 58.000 -0.209 0.000 1.199 62 F CB -0.462 38.114 39.000 -0.708 0.000 0.968 62 F HN 0.170 nan 8.300 nan 0.000 0.478 63 Y N 1.424 121.877 120.300 0.255 0.000 2.069 63 Y HA -0.407 4.143 4.550 -0.000 0.000 0.278 63 Y C 2.550 178.489 175.900 0.066 0.000 1.175 63 Y CA 2.427 60.633 58.100 0.176 0.000 1.134 63 Y CB -0.888 37.618 38.460 0.078 0.000 0.965 63 Y HN 0.252 nan 8.280 nan 0.000 0.498 64 Q N -0.832 119.020 119.800 0.086 0.000 2.029 64 Q HA -0.311 4.029 4.340 -0.000 0.000 0.209 64 Q C 2.160 178.016 176.000 -0.239 0.000 0.999 64 Q CA 2.035 57.780 55.803 -0.097 0.000 0.857 64 Q CB -0.607 28.030 28.738 -0.169 0.000 0.926 64 Q HN 0.686 nan 8.270 nan 0.000 0.415 65 H N 0.183 119.146 119.070 -0.179 0.000 2.267 65 H HA -0.155 4.401 4.556 -0.000 0.000 0.297 65 H C 2.258 177.429 175.328 -0.263 0.000 1.080 65 H CA 1.549 57.458 56.048 -0.231 0.000 1.278 65 H CB -0.506 29.063 29.762 -0.322 0.000 1.365 65 H HN 0.179 nan 8.280 nan 0.000 0.489 66 L N 1.302 122.421 121.223 -0.173 0.000 2.351 66 L HA -0.111 4.229 4.340 -0.000 0.000 0.220 66 L C 2.376 179.084 176.870 -0.270 0.000 1.127 66 L CA 1.478 56.204 54.840 -0.190 0.000 0.786 66 L CB -0.586 41.455 42.059 -0.030 0.000 0.914 66 L HN 0.212 nan 8.230 nan 0.000 0.443 67 A N -1.113 121.497 122.820 -0.350 0.000 1.897 67 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 67 A C 1.989 179.452 177.584 -0.201 0.000 1.181 67 A CA 1.482 53.300 52.037 -0.365 0.000 0.620 67 A CB -0.556 18.197 19.000 -0.411 0.000 0.821 67 A HN 0.493 nan 8.150 nan 0.000 0.443 68 D N 0.215 120.522 120.400 -0.154 0.000 2.219 68 D HA -0.115 4.525 4.640 -0.000 0.000 0.205 68 D C 2.374 178.622 176.300 -0.086 0.000 0.970 68 D CA 1.543 55.483 54.000 -0.099 0.000 0.851 68 D CB -0.233 40.521 40.800 -0.077 0.000 0.943 68 D HN 0.575 nan 8.370 nan 0.000 0.488 69 S N 0.045 115.686 115.700 -0.100 0.000 2.399 69 S HA -0.117 4.353 4.470 -0.000 0.000 0.231 69 S C 1.081 175.633 174.600 -0.080 0.000 1.022 69 S CA 0.679 58.831 58.200 -0.080 0.000 0.983 69 S CB 0.084 63.234 63.200 -0.084 0.000 0.803 69 S HN 0.122 nan 8.310 nan 0.000 0.480 70 K N 0.834 121.168 120.400 -0.110 0.000 2.416 70 K HA 0.362 4.682 4.320 -0.000 0.000 0.244 70 K C -0.544 176.011 176.600 -0.075 0.000 1.044 70 K CA -0.956 55.273 56.287 -0.097 0.000 0.972 70 K CB 0.183 32.601 32.500 -0.136 0.000 1.286 70 K HN 0.076 nan 8.250 nan 0.000 0.500 71 N N 1.565 120.228 118.700 -0.062 0.000 2.455 71 N HA 0.009 4.749 4.740 -0.000 0.000 0.280 71 N C -0.188 175.292 175.510 -0.050 0.000 1.055 71 N CA 0.090 53.112 53.050 -0.046 0.000 0.961 71 N CB 0.999 39.465 38.487 -0.034 0.000 1.121 71 N HN 0.433 nan 8.380 nan 0.000 0.476 72 D N 2.453 122.829 120.400 -0.040 0.000 2.362 72 D HA -0.163 4.477 4.640 -0.000 0.000 0.215 72 D C 0.277 176.558 176.300 -0.033 0.000 0.978 72 D CA 1.214 55.194 54.000 -0.032 0.000 0.921 72 D CB 0.207 40.998 40.800 -0.016 0.000 0.895 72 D HN 0.552 nan 8.370 nan 0.000 0.494 73 N N 0.222 118.900 118.700 -0.036 0.000 2.299 73 N HA -0.009 4.731 4.740 -0.000 0.000 0.187 73 N C -0.469 175.006 175.510 -0.058 0.000 1.099 73 N CA 0.118 53.144 53.050 -0.041 0.000 0.867 73 N CB 0.653 39.122 38.487 -0.030 0.000 0.974 73 N HN 0.059 nan 8.380 nan 0.000 0.477 74 D N 0.451 120.817 120.400 -0.058 0.000 2.210 74 D HA 0.117 4.757 4.640 -0.000 0.000 0.249 74 D C -0.050 176.207 176.300 -0.071 0.000 1.078 74 D CA -0.143 53.821 54.000 -0.059 0.000 0.875 74 D CB 0.764 41.533 40.800 -0.052 0.000 1.175 74 D HN 0.066 nan 8.370 nan 0.000 0.440 75 N N 1.232 119.888 118.700 -0.073 0.000 2.415 75 N HA 0.143 4.883 4.740 -0.000 0.000 0.248 75 N C -0.105 175.395 175.510 -0.016 0.000 1.271 75 N CA 0.085 53.087 53.050 -0.080 0.000 0.913 75 N CB 1.069 39.501 38.487 -0.091 0.000 1.129 75 N HN 0.336 nan 8.380 nan 0.000 0.444 76 I N 1.045 121.635 120.570 0.033 0.000 2.689 76 I HA 0.505 4.675 4.170 -0.000 0.000 0.299 76 I C -0.573 175.732 176.117 0.314 0.000 1.059 76 I CA -0.445 60.922 61.300 0.112 0.000 1.055 76 I CB 1.357 39.424 38.000 0.113 0.000 1.243 76 I HN 0.364 nan 8.210 nan 0.000 0.425 77 F N 6.134 126.174 119.950 0.149 0.000 2.703 77 F HA 0.746 5.273 4.527 0.000 0.000 0.308 77 F C -1.619 174.419 175.800 0.397 0.000 1.126 77 F CA -0.842 57.294 58.000 0.227 0.000 0.959 77 F CB 1.506 40.602 39.000 0.160 0.000 1.297 77 F HN 0.413 nan 8.300 nan 0.000 0.441 78 L N 0.731 121.692 121.223 -0.436 0.000 3.118 78 L HA 0.569 4.909 4.340 -0.000 0.000 0.262 78 L C -1.797 175.085 176.870 0.019 0.000 0.978 78 L CA -0.703 54.194 54.840 0.095 0.000 1.032 78 L CB 1.189 43.498 42.059 0.418 0.000 1.520 78 L HN 0.482 nan 8.230 nan 0.000 0.400 79 S N 1.085 116.934 115.700 0.248 0.000 2.622 79 S HA 0.596 5.066 4.470 -0.000 0.000 0.283 79 S C -1.698 172.855 174.600 -0.077 0.000 1.197 79 S CA -1.117 57.082 58.200 -0.002 0.000 1.146 79 S CB 0.903 64.087 63.200 -0.027 0.000 1.007 79 S HN 0.681 nan 8.310 nan 0.000 0.478 80 P HA -0.168 nan 4.420 nan 0.000 0.216 80 P C 1.672 179.008 177.300 0.061 0.000 1.153 80 P CA 0.803 63.855 63.100 -0.081 0.000 0.858 80 P CB 0.118 31.799 31.700 -0.031 0.000 0.789 81 L N -0.473 120.768 121.223 0.029 0.000 2.079 81 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 81 L C 2.566 179.422 176.870 -0.022 0.000 1.081 81 L CA 1.780 56.646 54.840 0.044 0.000 0.752 81 L CB -0.758 41.315 42.059 0.024 0.000 0.896 81 L HN -0.074 nan 8.230 nan 0.000 0.433 82 S N -0.056 115.644 115.700 0.000 0.000 2.335 82 S HA -0.127 4.343 4.470 -0.000 0.000 0.216 82 S C 1.846 176.477 174.600 0.053 0.000 1.032 82 S CA 1.563 59.799 58.200 0.059 0.000 1.000 82 S CB -0.344 62.973 63.200 0.196 0.000 0.928 82 S HN 0.445 nan 8.310 nan 0.000 0.434 83 I N 1.072 121.646 120.570 0.008 0.000 2.229 83 I HA -0.264 3.906 4.170 -0.000 0.000 0.250 83 I C 2.568 178.801 176.117 0.194 0.000 1.096 83 I CA 1.202 62.545 61.300 0.071 0.000 1.358 83 I CB -0.342 37.558 38.000 -0.166 0.000 1.047 83 I HN 0.283 nan 8.210 nan 0.000 0.422 84 S N -0.283 115.464 115.700 0.079 0.000 2.357 84 S HA -0.149 4.321 4.470 -0.000 0.000 0.221 84 S C 2.048 176.400 174.600 -0.414 0.000 1.031 84 S CA 1.958 60.102 58.200 -0.093 0.000 0.982 84 S CB -0.184 63.063 63.200 0.078 0.000 0.853 84 S HN 0.414 nan 8.310 nan 0.000 0.458 85 T N 2.148 116.334 114.554 -0.613 0.000 2.788 85 T HA 0.024 4.374 4.350 -0.000 0.000 0.268 85 T C 1.963 176.416 174.700 -0.411 0.000 1.044 85 T CA 1.184 62.747 62.100 -0.895 0.000 1.139 85 T CB -0.569 67.972 68.868 -0.544 0.000 0.867 85 T HN 0.479 nan 8.240 nan 0.000 0.454 86 A N 1.314 124.015 122.820 -0.198 0.000 1.845 86 A HA -0.027 4.293 4.320 -0.000 0.000 0.215 86 A C 1.790 179.146 177.584 -0.381 0.000 1.195 86 A CA 1.357 53.233 52.037 -0.269 0.000 0.616 86 A CB -1.166 17.785 19.000 -0.082 0.000 0.832 86 A HN 0.483 nan 8.150 nan 0.000 0.443 87 F N 0.256 119.977 119.950 -0.382 0.000 2.605 87 F HA -0.000 4.526 4.527 -0.000 0.000 0.296 87 F C 2.323 177.898 175.800 -0.374 0.000 1.146 87 F CA 0.625 58.361 58.000 -0.440 0.000 1.478 87 F CB -0.190 38.287 39.000 -0.872 0.000 1.107 87 F HN 0.269 nan 8.300 nan 0.000 0.600 88 A N -1.138 121.554 122.820 -0.213 0.000 2.132 88 A HA 0.020 4.340 4.320 -0.000 0.000 0.213 88 A C 2.020 179.547 177.584 -0.094 0.000 1.154 88 A CA 0.558 52.520 52.037 -0.125 0.000 0.753 88 A CB -0.221 18.697 19.000 -0.136 0.000 0.826 88 A HN 0.138 nan 8.150 nan 0.000 0.469 89 M N -0.041 119.423 119.600 -0.227 0.000 2.561 89 M HA 0.056 4.536 4.480 -0.000 0.000 0.238 89 M C 1.343 177.618 176.300 -0.042 0.000 1.131 89 M CA 0.994 56.165 55.300 -0.216 0.000 1.046 89 M CB -1.015 31.270 32.600 -0.526 0.000 1.532 89 M HN 0.383 nan 8.290 nan 0.000 0.497 90 T N -0.920 113.580 114.554 -0.090 0.000 3.044 90 T HA 0.016 4.366 4.350 -0.000 0.000 0.237 90 T C 1.867 176.573 174.700 0.010 0.000 1.001 90 T CA 0.295 62.360 62.100 -0.059 0.000 1.160 90 T CB 0.277 69.092 68.868 -0.089 0.000 0.889 90 T HN 0.165 nan 8.240 nan 0.000 0.442 91 K N 1.543 121.965 120.400 0.036 0.000 2.173 91 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 91 K C 2.247 178.901 176.600 0.090 0.000 1.046 91 K CA 1.156 57.491 56.287 0.081 0.000 0.929 91 K CB -0.650 31.915 32.500 0.109 0.000 0.720 91 K HN 0.268 nan 8.250 nan 0.000 0.453 92 L N 0.523 121.804 121.223 0.097 0.000 1.971 92 L HA -0.087 4.253 4.340 -0.000 0.000 0.215 92 L C 1.702 178.643 176.870 0.118 0.000 1.072 92 L CA 2.584 57.504 54.840 0.133 0.000 0.758 92 L CB -1.165 40.950 42.059 0.093 0.000 0.889 92 L HN 0.212 nan 8.230 nan 0.000 0.433 93 G N -0.916 107.936 108.800 0.088 0.000 3.949 93 G HA2 0.561 4.521 3.960 -0.000 0.000 0.295 93 G HA3 0.561 4.521 3.960 -0.000 0.000 0.295 93 G C -0.030 174.862 174.900 -0.013 0.000 1.286 93 G CA 0.224 45.331 45.100 0.012 0.000 1.171 93 G HN 0.678 nan 8.290 nan 0.000 0.586 94 A N -0.827 122.009 122.820 0.027 0.000 2.288 94 A HA 0.852 5.172 4.320 -0.000 0.000 0.328 94 A C -0.603 177.010 177.584 0.047 0.000 1.123 94 A CA -0.539 51.514 52.037 0.027 0.000 0.861 94 A CB 1.577 20.599 19.000 0.036 0.000 1.272 94 A HN 0.378 nan 8.150 nan 0.000 0.490 95 c N 0.078 118.705 118.600 0.045 0.000 3.171 95 c HA 0.621 5.191 4.570 -0.000 0.000 0.308 95 c C -0.025 174.100 174.090 0.058 0.000 1.334 95 c CA -0.683 55.678 56.329 0.055 0.000 1.473 95 c CB 1.370 43.904 42.510 0.041 0.000 1.866 95 c HN 1.132 nan 8.230 nan 0.000 0.465 96 N N 1.400 120.140 118.700 0.067 0.000 3.815 96 N HA -0.181 4.559 4.740 -0.000 0.000 0.232 96 N C 0.489 176.041 175.510 0.069 0.000 0.863 96 N CA 1.338 54.427 53.050 0.066 0.000 1.021 96 N CB -0.262 38.251 38.487 0.044 0.000 0.759 96 N HN 0.844 nan 8.380 nan 0.000 0.682 97 D N -0.228 120.207 120.400 0.058 0.000 2.432 97 D HA -0.200 4.440 4.640 -0.000 0.000 0.200 97 D C 1.443 177.760 176.300 0.029 0.000 1.021 97 D CA 2.029 56.058 54.000 0.048 0.000 0.936 97 D CB -0.391 40.427 40.800 0.031 0.000 0.881 97 D HN 0.506 nan 8.370 nan 0.000 0.459 98 T N 0.593 115.161 114.554 0.023 0.000 2.698 98 T HA -0.096 4.254 4.350 -0.000 0.000 0.260 98 T C 1.873 176.576 174.700 0.005 0.000 1.044 98 T CA 0.514 62.615 62.100 0.001 0.000 1.149 98 T CB -0.288 68.582 68.868 0.002 0.000 0.864 98 T HN 0.054 nan 8.240 nan 0.000 0.419 99 L N 1.578 122.820 121.223 0.032 0.000 1.971 99 L HA -0.157 4.183 4.340 -0.000 0.000 0.215 99 L C 2.501 179.352 176.870 -0.033 0.000 1.072 99 L CA 2.101 56.962 54.840 0.034 0.000 0.758 99 L CB -1.193 40.917 42.059 0.085 0.000 0.889 99 L HN 0.321 nan 8.230 nan 0.000 0.433 100 Q N -0.982 118.814 119.800 -0.006 0.000 2.124 100 Q HA -0.376 3.964 4.340 -0.000 0.000 0.215 100 Q C 2.225 178.122 176.000 -0.172 0.000 1.015 100 Q CA 2.864 58.593 55.803 -0.124 0.000 0.890 100 Q CB -0.228 28.583 28.738 0.122 0.000 0.966 100 Q HN 0.731 nan 8.270 nan 0.000 0.412 101 Q N -0.094 119.663 119.800 -0.072 0.000 1.985 101 Q HA -0.180 4.160 4.340 -0.000 0.000 0.207 101 Q C 2.245 178.206 176.000 -0.066 0.000 0.996 101 Q CA 1.734 57.492 55.803 -0.076 0.000 0.851 101 Q CB -0.304 28.394 28.738 -0.067 0.000 0.921 101 Q HN 0.451 nan 8.270 nan 0.000 0.418 102 L N 0.153 121.380 121.223 0.008 0.000 2.357 102 L HA -0.239 4.101 4.340 -0.000 0.000 0.220 102 L C 2.256 179.212 176.870 0.143 0.000 1.123 102 L CA 0.561 55.499 54.840 0.163 0.000 0.782 102 L CB -0.281 41.879 42.059 0.168 0.000 0.910 102 L HN 0.437 nan 8.230 nan 0.000 0.442 103 M N -1.258 118.306 119.600 -0.060 0.000 2.325 103 M HA -0.069 4.411 4.480 -0.000 0.000 0.265 103 M C 1.836 178.034 176.300 -0.171 0.000 1.094 103 M CA 1.403 56.620 55.300 -0.139 0.000 1.161 103 M CB -0.537 31.695 32.600 -0.613 0.000 1.358 103 M HN 0.205 nan 8.290 nan 0.000 0.446 104 E N -0.232 119.859 120.200 -0.182 0.000 2.478 104 E HA 0.022 4.372 4.350 -0.000 0.000 0.194 104 E C 1.711 178.213 176.600 -0.163 0.000 1.045 104 E CA 0.171 56.491 56.400 -0.135 0.000 0.868 104 E CB 0.429 30.076 29.700 -0.088 0.000 0.885 104 E HN 0.226 nan 8.360 nan 0.000 0.505 105 V N -0.293 119.473 119.914 -0.247 0.000 3.565 105 V HA 0.032 4.152 4.120 -0.000 0.000 0.260 105 V C 0.716 176.409 176.094 -0.668 0.000 1.231 105 V CA 0.734 62.801 62.300 -0.388 0.000 1.100 105 V CB -0.044 31.485 31.823 -0.490 0.000 0.807 105 V HN 0.185 nan 8.190 nan 0.000 0.454 106 F N -0.040 119.530 119.950 -0.633 0.000 2.668 106 F HA 0.410 4.936 4.527 -0.000 0.000 0.301 106 F C 1.008 176.208 175.800 -1.000 0.000 1.106 106 F CA -0.808 56.452 58.000 -1.233 0.000 1.289 106 F CB 0.338 38.175 39.000 -1.940 0.000 1.006 106 F HN -0.120 nan 8.300 nan 0.000 0.535 107 K N -0.234 119.957 120.400 -0.348 0.000 2.948 107 K HA -0.246 4.074 4.320 -0.000 0.000 0.253 107 K C 0.271 176.864 176.600 -0.012 0.000 0.970 107 K CA 0.566 56.779 56.287 -0.123 0.000 0.716 107 K CB -2.530 29.967 32.500 -0.005 0.000 1.249 107 K HN 0.295 nan 8.250 nan 0.000 0.483 108 F N 0.957 120.945 119.950 0.063 0.000 2.816 108 F HA -0.016 4.511 4.527 -0.000 0.000 0.302 108 F C 1.784 177.601 175.800 0.029 0.000 1.178 108 F CA 0.422 58.448 58.000 0.043 0.000 1.421 108 F CB -0.244 38.787 39.000 0.053 0.000 1.114 108 F HN 0.171 nan 8.300 nan 0.000 0.573 109 D N -1.701 118.796 120.400 0.162 0.000 2.349 109 D HA -0.049 4.591 4.640 -0.000 0.000 0.215 109 D C 1.406 177.799 176.300 0.155 0.000 1.016 109 D CA 0.672 54.774 54.000 0.171 0.000 0.870 109 D CB -0.767 40.113 40.800 0.132 0.000 0.917 109 D HN 0.170 nan 8.370 nan 0.000 0.524 110 T N 1.713 116.338 114.554 0.119 0.000 2.937 110 T HA 0.069 4.419 4.350 -0.000 0.000 0.260 110 T C 1.499 176.245 174.700 0.077 0.000 1.051 110 T CA 0.166 62.318 62.100 0.085 0.000 1.141 110 T CB -0.209 68.695 68.868 0.061 0.000 0.879 110 T HN 0.364 nan 8.240 nan 0.000 0.459 111 I N 2.219 122.836 120.570 0.079 0.000 3.045 111 I HA 0.212 4.382 4.170 -0.000 0.000 0.288 111 I C 0.850 176.990 176.117 0.038 0.000 1.238 111 I CA -0.903 60.420 61.300 0.039 0.000 1.396 111 I CB 0.179 38.180 38.000 0.001 0.000 1.355 111 I HN 0.140 nan 8.210 nan 0.000 0.601 112 S N 3.285 118.989 115.700 0.007 0.000 2.617 112 S HA 0.111 4.581 4.470 -0.000 0.000 0.255 112 S C 0.845 175.449 174.600 0.006 0.000 1.318 112 S CA -0.397 57.807 58.200 0.006 0.000 0.978 112 S CB 0.895 64.087 63.200 -0.014 0.000 0.961 112 S HN 0.791 nan 8.310 nan 0.000 0.582 113 E N 1.139 121.344 120.200 0.008 0.000 1.928 113 E HA -0.238 4.112 4.350 -0.000 0.000 0.215 113 E C 1.878 178.483 176.600 0.009 0.000 0.964 113 E CA 1.388 57.796 56.400 0.013 0.000 0.882 113 E CB -0.743 28.961 29.700 0.006 0.000 0.814 113 E HN 0.764 nan 8.360 nan 0.000 0.565 114 K N -0.255 120.146 120.400 0.002 0.000 2.008 114 K HA -0.313 4.007 4.320 -0.000 0.000 0.231 114 K C 2.164 178.776 176.600 0.020 0.000 1.031 114 K CA 3.457 59.752 56.287 0.014 0.000 0.995 114 K CB -0.642 31.864 32.500 0.010 0.000 0.747 114 K HN 0.364 nan 8.250 nan 0.000 0.447 115 T N -0.550 113.967 114.554 -0.061 0.000 2.564 115 T HA -0.279 4.071 4.350 -0.000 0.000 0.264 115 T C 2.303 176.975 174.700 -0.047 0.000 1.100 115 T CA 2.467 64.486 62.100 -0.136 0.000 1.171 115 T CB -1.406 67.293 68.868 -0.282 0.000 0.863 115 T HN 0.552 nan 8.240 nan 0.000 0.430 116 S N 1.564 117.250 115.700 -0.023 0.000 2.672 116 S HA -0.093 4.377 4.470 -0.000 0.000 0.250 116 S C 1.452 176.081 174.600 0.048 0.000 0.975 116 S CA 1.288 59.504 58.200 0.027 0.000 0.971 116 S CB -0.531 62.727 63.200 0.097 0.000 0.765 116 S HN 0.621 nan 8.310 nan 0.000 0.543 117 D N -0.812 119.607 120.400 0.031 0.000 3.163 117 D HA -0.004 4.636 4.640 -0.000 0.000 0.228 117 D C 1.250 177.541 176.300 -0.014 0.000 1.521 117 D CA -0.032 53.994 54.000 0.044 0.000 1.334 117 D CB -0.515 40.313 40.800 0.047 0.000 1.126 117 D HN 0.225 nan 8.370 nan 0.000 0.304 118 Q N 1.565 121.341 119.800 -0.041 0.000 2.541 118 Q HA -0.023 4.316 4.340 -0.000 0.000 0.215 118 Q C 2.158 177.992 176.000 -0.277 0.000 0.977 118 Q CA 0.038 55.695 55.803 -0.244 0.000 0.934 118 Q CB -0.011 28.630 28.738 -0.162 0.000 0.988 118 Q HN 0.517 nan 8.270 nan 0.000 0.521 119 I N 1.516 122.056 120.570 -0.050 0.000 2.141 119 I HA -0.462 3.708 4.170 -0.000 0.000 0.243 119 I C 2.319 178.407 176.117 -0.049 0.000 1.035 119 I CA 2.599 63.873 61.300 -0.044 0.000 1.302 119 I CB -0.272 37.603 38.000 -0.208 0.000 1.006 119 I HN 0.355 nan 8.210 nan 0.000 0.413 120 H N -0.131 119.004 119.070 0.108 0.000 2.426 120 H HA -0.279 4.276 4.556 -0.000 0.000 0.298 120 H C 1.951 177.365 175.328 0.144 0.000 1.107 120 H CA 2.170 58.293 56.048 0.126 0.000 1.298 120 H CB -1.522 28.263 29.762 0.039 0.000 1.377 120 H HN 0.606 nan 8.280 nan 0.000 0.519 121 F N 0.746 120.486 119.950 -0.350 0.000 2.053 121 F HA -0.060 4.467 4.527 0.000 0.000 0.292 121 F C 1.736 177.421 175.800 -0.192 0.000 1.125 121 F CA 1.030 58.900 58.000 -0.217 0.000 1.193 121 F CB -0.475 38.223 39.000 -0.503 0.000 0.996 121 F HN 0.082 nan 8.300 nan 0.000 0.470 122 F N 0.246 120.384 119.950 0.314 0.000 2.063 122 F HA -0.268 4.259 4.527 -0.000 0.000 0.298 122 F C 2.263 178.069 175.800 0.010 0.000 1.109 122 F CA 1.793 59.881 58.000 0.147 0.000 1.212 122 F CB -1.483 37.527 39.000 0.016 0.000 0.973 122 F HN -0.010 nan 8.300 nan 0.000 0.480 123 F N 0.274 120.314 119.950 0.150 0.000 2.176 123 F HA -0.338 4.189 4.527 0.000 0.000 0.301 123 F C 2.356 178.168 175.800 0.020 0.000 1.071 123 F CA 0.994 59.033 58.000 0.065 0.000 1.289 123 F CB -1.286 37.723 39.000 0.017 0.000 1.028 123 F HN -0.020 nan 8.300 nan 0.000 0.494 124 A N -0.435 122.459 122.820 0.124 0.000 1.832 124 A HA -0.211 4.109 4.320 -0.000 0.000 0.214 124 A C 2.213 179.748 177.584 -0.081 0.000 1.204 124 A CA 1.541 53.554 52.037 -0.040 0.000 0.606 124 A CB -0.841 18.026 19.000 -0.222 0.000 0.849 124 A HN 0.302 nan 8.150 nan 0.000 0.445 125 K N -0.636 119.636 120.400 -0.214 0.000 2.293 125 K HA -0.194 4.126 4.320 -0.000 0.000 0.204 125 K C 1.668 178.312 176.600 0.072 0.000 1.045 125 K CA 1.606 57.836 56.287 -0.095 0.000 0.933 125 K CB -0.303 32.186 32.500 -0.018 0.000 0.736 125 K HN 0.398 nan 8.250 nan 0.000 0.463 126 L N 0.962 122.260 121.223 0.126 0.000 2.062 126 L HA -0.052 4.288 4.340 -0.000 0.000 0.202 126 L C 1.586 178.548 176.870 0.154 0.000 1.079 126 L CA 1.544 56.484 54.840 0.167 0.000 0.755 126 L CB -0.828 41.364 42.059 0.222 0.000 0.913 126 L HN 0.163 nan 8.230 nan 0.000 0.445 127 N N -0.234 118.559 118.700 0.155 0.000 2.069 127 N HA -0.307 4.433 4.740 -0.000 0.000 0.196 127 N C 2.013 177.614 175.510 0.152 0.000 1.024 127 N CA 1.859 54.993 53.050 0.140 0.000 0.869 127 N CB -1.111 37.432 38.487 0.094 0.000 1.035 127 N HN 0.559 nan 8.380 nan 0.000 0.434 128 c N 1.541 120.197 118.600 0.095 0.000 2.388 128 c HA -0.132 4.438 4.570 -0.000 0.000 0.277 128 c C 2.913 177.110 174.090 0.179 0.000 1.210 128 c CA 0.996 57.393 56.329 0.114 0.000 1.743 128 c CB -1.049 41.483 42.510 0.036 0.000 2.047 128 c HN 0.485 nan 8.230 nan 0.000 0.458 129 R N 0.131 120.715 120.500 0.140 0.000 2.115 129 R HA -0.183 4.157 4.340 -0.000 0.000 0.239 129 R C 2.097 178.492 176.300 0.158 0.000 1.133 129 R CA 2.249 58.433 56.100 0.140 0.000 0.935 129 R CB -0.630 29.750 30.300 0.132 0.000 0.853 129 R HN 0.609 nan 8.270 nan 0.000 0.433 130 L N -0.134 121.190 121.223 0.168 0.000 2.456 130 L HA -0.154 4.186 4.340 -0.000 0.000 0.224 130 L C 2.138 179.126 176.870 0.195 0.000 1.148 130 L CA 0.652 55.593 54.840 0.169 0.000 0.825 130 L CB -0.416 41.734 42.059 0.152 0.000 0.937 130 L HN 0.329 nan 8.230 nan 0.000 0.450 131 Y N 0.717 121.074 120.300 0.095 0.000 2.176 131 Y HA -0.107 4.443 4.550 0.000 0.000 0.291 131 Y C 2.744 178.697 175.900 0.088 0.000 1.122 131 Y CA 1.139 59.294 58.100 0.092 0.000 1.128 131 Y CB -0.016 38.480 38.460 0.060 0.000 1.005 131 Y HN -0.060 nan 8.280 nan 0.000 0.509 132 R N 0.599 121.176 120.500 0.129 0.000 2.126 132 R HA -0.205 4.135 4.340 -0.000 0.000 0.224 132 R C 2.194 178.492 176.300 -0.004 0.000 1.128 132 R CA 2.157 58.284 56.100 0.046 0.000 0.895 132 R CB -0.556 29.805 30.300 0.102 0.000 0.817 132 R HN 0.259 nan 8.270 nan 0.000 0.435 133 K N 0.351 120.784 120.400 0.055 0.000 2.127 133 K HA -0.271 4.049 4.320 -0.000 0.000 0.212 133 K C 2.173 178.809 176.600 0.060 0.000 1.050 133 K CA 1.873 58.203 56.287 0.070 0.000 0.929 133 K CB -0.371 32.194 32.500 0.109 0.000 0.715 133 K HN 0.279 nan 8.250 nan 0.000 0.457 134 A N 2.093 124.943 122.820 0.050 0.000 1.835 134 A HA -0.187 4.133 4.320 -0.000 0.000 0.215 134 A C 1.894 179.423 177.584 -0.092 0.000 1.199 134 A CA 1.724 53.795 52.037 0.057 0.000 0.615 134 A CB -0.569 18.499 19.000 0.114 0.000 0.838 134 A HN 0.258 nan 8.150 nan 0.000 0.444 135 N N -0.354 118.211 118.700 -0.224 0.000 2.309 135 N HA -0.132 4.608 4.740 -0.000 0.000 0.182 135 N C 1.755 177.177 175.510 -0.147 0.000 1.018 135 N CA 1.240 54.136 53.050 -0.256 0.000 0.876 135 N CB -0.301 37.937 38.487 -0.415 0.000 0.972 135 N HN 0.436 nan 8.380 nan 0.000 0.434 136 K N 1.109 121.454 120.400 -0.092 0.000 2.052 136 K HA -0.149 4.171 4.320 -0.000 0.000 0.215 136 K C 1.813 178.389 176.600 -0.040 0.000 1.053 136 K CA 1.622 57.885 56.287 -0.039 0.000 0.934 136 K CB -0.548 31.952 32.500 -0.000 0.000 0.717 136 K HN 0.432 nan 8.250 nan 0.000 0.450 137 A N -1.462 121.332 122.820 -0.043 0.000 2.192 137 A HA 0.402 4.722 4.320 -0.000 0.000 0.208 137 A C 1.151 178.670 177.584 -0.108 0.000 1.220 137 A CA 0.478 52.489 52.037 -0.044 0.000 0.900 137 A CB 0.549 19.553 19.000 0.007 0.000 0.937 137 A HN 0.437 nan 8.150 nan 0.000 0.487 138 S N -1.111 114.483 115.700 -0.176 0.000 2.823 138 S HA 0.747 5.217 4.470 -0.000 0.000 0.316 138 S C -0.153 174.242 174.600 -0.342 0.000 1.116 138 S CA -0.043 57.962 58.200 -0.326 0.000 0.911 138 S CB 1.244 64.129 63.200 -0.524 0.000 1.276 138 S HN 0.628 nan 8.310 nan 0.000 0.565 139 K N 0.536 120.653 120.400 -0.473 0.000 2.376 139 K HA 0.772 5.092 4.320 -0.000 0.000 0.257 139 K C -1.578 174.805 176.600 -0.362 0.000 0.939 139 K CA -0.700 55.392 56.287 -0.325 0.000 0.809 139 K CB 1.030 33.427 32.500 -0.173 0.000 1.121 139 K HN 0.516 nan 8.250 nan 0.000 0.425 140 L N 2.445 123.578 121.223 -0.149 0.000 2.471 140 L HA 0.566 4.906 4.340 -0.000 0.000 0.263 140 L C -1.248 175.751 176.870 0.216 0.000 0.985 140 L CA -0.925 53.969 54.840 0.091 0.000 0.868 140 L CB 1.647 43.818 42.059 0.187 0.000 1.203 140 L HN 0.413 nan 8.230 nan 0.000 0.429 141 V N 3.590 123.698 119.914 0.323 0.000 2.472 141 V HA 0.825 4.945 4.120 -0.000 0.000 0.290 141 V C 0.161 176.427 176.094 0.287 0.000 1.037 141 V CA -0.152 62.312 62.300 0.272 0.000 0.908 141 V CB 1.744 33.669 31.823 0.168 0.000 0.985 141 V HN 0.903 nan 8.190 nan 0.000 0.454 142 S N 2.931 118.752 115.700 0.202 0.000 2.548 142 S HA 0.916 5.386 4.470 -0.000 0.000 0.286 142 S C -0.681 173.938 174.600 0.032 0.000 1.098 142 S CA -0.381 57.910 58.200 0.151 0.000 0.930 142 S CB 2.219 65.510 63.200 0.152 0.000 1.070 142 S HN 1.448 nan 8.310 nan 0.000 0.480 143 A N 2.688 125.532 122.820 0.040 0.000 2.651 143 A HA 0.692 5.012 4.320 -0.000 0.000 0.290 143 A C -0.696 176.989 177.584 0.167 0.000 1.185 143 A CA -0.880 51.151 52.037 -0.009 0.000 0.746 143 A CB -0.068 18.881 19.000 -0.085 0.000 1.213 143 A HN 1.049 nan 8.150 nan 0.000 0.429 144 N N 1.624 120.430 118.700 0.177 0.000 2.336 144 N HA 0.752 5.492 4.740 -0.000 0.000 0.290 144 N C -0.845 174.727 175.510 0.104 0.000 1.058 144 N CA -0.899 52.265 53.050 0.190 0.000 0.865 144 N CB 2.213 40.754 38.487 0.090 0.000 1.581 144 N HN 0.579 nan 8.380 nan 0.000 0.480 145 R N 1.400 121.987 120.500 0.146 0.000 2.764 145 R HA 0.484 4.824 4.340 -0.000 0.000 0.270 145 R C -1.926 174.212 176.300 -0.270 0.000 1.014 145 R CA -0.769 55.234 56.100 -0.161 0.000 0.904 145 R CB 1.585 31.392 30.300 -0.823 0.000 1.236 145 R HN 0.499 nan 8.270 nan 0.000 0.466 146 L N 2.088 123.073 121.223 -0.396 0.000 2.325 146 L HA 0.555 4.895 4.340 -0.000 0.000 0.279 146 L C -1.362 175.131 176.870 -0.629 0.000 1.054 146 L CA 0.064 54.695 54.840 -0.348 0.000 0.804 146 L CB 1.268 43.184 42.059 -0.238 0.000 1.200 146 L HN 0.478 nan 8.230 nan 0.000 0.436 147 F N 1.897 121.810 119.950 -0.062 0.000 2.529 147 F HA 0.754 5.281 4.527 -0.000 0.000 0.320 147 F C 0.588 176.458 175.800 0.117 0.000 1.118 147 F CA -0.604 57.403 58.000 0.013 0.000 0.915 147 F CB 2.164 41.262 39.000 0.163 0.000 1.161 147 F HN 0.465 nan 8.300 nan 0.000 0.445 148 G N 1.727 110.695 108.800 0.281 0.000 2.659 148 G HA2 0.351 4.311 3.960 -0.000 0.000 0.296 148 G HA3 0.351 4.311 3.960 -0.000 0.000 0.296 148 G C -1.846 173.388 174.900 0.557 0.000 1.369 148 G CA -0.739 44.632 45.100 0.451 0.000 0.937 148 G HN 0.537 nan 8.290 nan 0.000 0.485 149 D N 0.516 121.316 120.400 0.668 0.000 2.368 149 D HA 0.106 4.746 4.640 -0.000 0.000 0.240 149 D C 1.401 177.818 176.300 0.195 0.000 1.169 149 D CA -0.265 53.932 54.000 0.328 0.000 0.906 149 D CB 1.411 42.458 40.800 0.412 0.000 1.187 149 D HN 0.113 nan 8.370 nan 0.000 0.435 150 K N 1.632 122.058 120.400 0.044 0.000 1.965 150 K HA -0.175 4.145 4.320 -0.000 0.000 0.220 150 K C 2.304 178.849 176.600 -0.091 0.000 1.046 150 K CA 1.954 58.237 56.287 -0.006 0.000 0.974 150 K CB -1.596 30.889 32.500 -0.025 0.000 0.738 150 K HN 0.800 nan 8.250 nan 0.000 0.444 151 S N 1.512 117.175 115.700 -0.063 0.000 2.490 151 S HA -0.282 4.188 4.470 -0.000 0.000 0.291 151 S C 1.049 175.542 174.600 -0.180 0.000 1.182 151 S CA 1.844 59.993 58.200 -0.085 0.000 1.215 151 S CB -1.492 61.687 63.200 -0.035 0.000 1.176 151 S HN 0.389 nan 8.310 nan 0.000 0.440 152 L N 2.390 123.458 121.223 -0.258 0.000 2.559 152 L HA 0.118 4.458 4.340 -0.000 0.000 0.274 152 L C 0.028 176.438 176.870 -0.768 0.000 1.205 152 L CA 0.094 54.657 54.840 -0.461 0.000 0.907 152 L CB -0.152 41.604 42.059 -0.505 0.000 1.153 152 L HN 0.296 nan 8.230 nan 0.000 0.490 153 T N 4.244 118.498 114.554 -0.499 0.000 2.891 153 T HA 0.346 4.696 4.350 -0.000 0.000 0.315 153 T C -0.043 174.456 174.700 -0.336 0.000 1.054 153 T CA -0.440 61.426 62.100 -0.390 0.000 0.958 153 T CB -0.367 68.397 68.868 -0.175 0.000 1.008 153 T HN 0.084 nan 8.240 nan 0.000 0.521 154 F N 2.489 122.433 119.950 -0.009 0.000 2.506 154 F HA 0.182 4.709 4.527 0.000 0.000 0.351 154 F C 1.377 177.177 175.800 0.000 0.000 1.136 154 F CA -1.126 56.864 58.000 -0.018 0.000 1.298 154 F CB 0.200 39.196 39.000 -0.008 0.000 1.145 154 F HN 0.366 nan 8.300 nan 0.000 0.593 155 N N 1.691 120.507 118.700 0.194 0.000 2.283 155 N HA -0.049 4.691 4.740 -0.000 0.000 0.236 155 N C 0.980 176.577 175.510 0.145 0.000 1.252 155 N CA 0.894 54.022 53.050 0.131 0.000 0.856 155 N CB 0.800 39.360 38.487 0.122 0.000 1.099 155 N HN 0.780 nan 8.380 nan 0.000 0.444 156 E N 1.651 121.908 120.200 0.095 0.000 2.060 156 E HA -0.082 4.268 4.350 -0.000 0.000 0.189 156 E C 1.800 178.442 176.600 0.070 0.000 0.974 156 E CA 1.605 58.050 56.400 0.075 0.000 0.808 156 E CB -1.200 28.528 29.700 0.047 0.000 0.768 156 E HN 0.785 nan 8.360 nan 0.000 0.453 157 T N -0.221 114.375 114.554 0.070 0.000 2.569 157 T HA -0.168 4.182 4.350 -0.000 0.000 0.263 157 T C 1.838 176.568 174.700 0.052 0.000 1.074 157 T CA 1.556 63.687 62.100 0.052 0.000 1.176 157 T CB -0.753 68.147 68.868 0.053 0.000 0.863 157 T HN 0.524 nan 8.240 nan 0.000 0.410 158 Y N 2.082 122.360 120.300 -0.037 0.000 2.096 158 Y HA -0.321 4.229 4.550 -0.000 0.000 0.276 158 Y C 2.655 178.507 175.900 -0.079 0.000 1.209 158 Y CA 1.927 59.983 58.100 -0.074 0.000 1.137 158 Y CB -0.436 37.987 38.460 -0.062 0.000 0.956 158 Y HN 0.140 nan 8.280 nan 0.000 0.506 159 Q N 0.225 120.072 119.800 0.078 0.000 2.181 159 Q HA -0.197 4.143 4.340 -0.000 0.000 0.205 159 Q C 1.838 177.783 176.000 -0.092 0.000 0.980 159 Q CA 1.824 57.618 55.803 -0.014 0.000 0.862 159 Q CB -0.429 28.346 28.738 0.063 0.000 0.905 159 Q HN 0.671 nan 8.270 nan 0.000 0.429 160 D N -0.006 120.354 120.400 -0.067 0.000 2.103 160 D HA -0.045 4.595 4.640 -0.000 0.000 0.199 160 D C 2.133 178.365 176.300 -0.113 0.000 0.978 160 D CA 0.517 54.478 54.000 -0.066 0.000 0.829 160 D CB -0.074 40.708 40.800 -0.031 0.000 0.981 160 D HN 0.223 nan 8.370 nan 0.000 0.464 161 I N 0.946 121.414 120.570 -0.170 0.000 2.045 161 I HA -0.308 3.862 4.170 -0.000 0.000 0.233 161 I C 2.615 178.564 176.117 -0.281 0.000 1.048 161 I CA 1.128 62.290 61.300 -0.230 0.000 1.313 161 I CB -0.533 37.248 38.000 -0.367 0.000 1.043 161 I HN -0.046 nan 8.210 nan 0.000 0.393 162 S N -0.037 115.374 115.700 -0.482 0.000 2.434 162 S HA -0.335 4.135 4.470 -0.000 0.000 0.243 162 S C 1.888 176.382 174.600 -0.177 0.000 1.045 162 S CA 2.326 60.274 58.200 -0.421 0.000 1.019 162 S CB -0.447 62.385 63.200 -0.614 0.000 0.811 162 S HN 0.497 nan 8.310 nan 0.000 0.485 163 E N -0.187 119.922 120.200 -0.151 0.000 2.005 163 E HA -0.062 4.288 4.350 -0.000 0.000 0.191 163 E C 0.971 177.525 176.600 -0.077 0.000 0.987 163 E CA 1.134 57.479 56.400 -0.091 0.000 0.814 163 E CB -0.169 29.488 29.700 -0.071 0.000 0.772 163 E HN 0.480 nan 8.360 nan 0.000 0.453 164 L N 0.923 122.103 121.223 -0.071 0.000 2.747 164 L HA 0.011 4.351 4.340 -0.000 0.000 0.248 164 L C 0.723 177.551 176.870 -0.069 0.000 1.191 164 L CA 0.331 55.135 54.840 -0.060 0.000 1.003 164 L CB 0.448 42.486 42.059 -0.034 0.000 1.235 164 L HN 0.117 nan 8.230 nan 0.000 0.426 165 V N -3.042 116.831 119.914 -0.068 0.000 3.219 165 V HA 0.010 4.130 4.120 -0.000 0.000 0.214 165 V C 0.923 177.026 176.094 0.014 0.000 1.433 165 V CA -0.009 62.261 62.300 -0.050 0.000 1.301 165 V CB -0.026 31.796 31.823 -0.002 0.000 1.160 165 V HN 0.243 nan 8.190 nan 0.000 0.505 166 Y N 1.457 121.669 120.300 -0.146 0.000 2.478 166 Y HA 0.516 5.066 4.550 0.000 0.000 0.261 166 Y C 1.488 177.324 175.900 -0.106 0.000 1.127 166 Y CA 0.778 58.801 58.100 -0.129 0.000 1.288 166 Y CB 1.053 39.414 38.460 -0.166 0.000 1.084 166 Y HN 0.320 nan 8.280 nan 0.000 0.530 167 G N -0.085 108.655 108.800 -0.100 0.000 2.659 167 G HA2 0.012 3.972 3.960 -0.000 0.000 0.202 167 G HA3 0.012 3.972 3.960 -0.000 0.000 0.202 167 G C 0.152 175.003 174.900 -0.083 0.000 1.186 167 G CA -0.192 44.825 45.100 -0.137 0.000 0.783 167 G HN 0.772 nan 8.290 nan 0.000 0.521 168 A N -0.425 122.352 122.820 -0.072 0.000 2.532 168 A HA 1.024 5.344 4.320 -0.000 0.000 0.290 168 A C 0.262 177.795 177.584 -0.085 0.000 1.143 168 A CA 1.111 53.114 52.037 -0.058 0.000 0.728 168 A CB 0.760 19.744 19.000 -0.027 0.000 1.317 168 A HN 1.761 nan 8.150 nan 0.000 0.414 169 K N 0.024 120.364 120.400 -0.100 0.000 2.614 169 K HA 0.672 4.992 4.320 -0.000 0.000 0.275 169 K C 0.219 176.715 176.600 -0.174 0.000 1.055 169 K CA 0.457 56.673 56.287 -0.119 0.000 0.961 169 K CB -0.319 32.134 32.500 -0.079 0.000 1.220 169 K HN 1.155 nan 8.250 nan 0.000 0.491 170 L N 0.246 121.363 121.223 -0.176 0.000 2.334 170 L HA 0.340 4.680 4.340 -0.000 0.000 0.277 170 L C -0.243 176.453 176.870 -0.290 0.000 1.075 170 L CA -0.558 54.103 54.840 -0.298 0.000 0.804 170 L CB 1.728 43.549 42.059 -0.398 0.000 1.174 170 L HN 0.803 nan 8.230 nan 0.000 0.438 171 Q N 6.308 125.879 119.800 -0.381 0.000 2.431 171 Q HA 0.427 4.767 4.340 -0.000 0.000 0.249 171 Q C -2.489 173.484 176.000 -0.044 0.000 1.025 171 Q CA -2.151 53.522 55.803 -0.217 0.000 0.835 171 Q CB 1.242 29.805 28.738 -0.292 0.000 1.207 171 Q HN 0.274 nan 8.270 nan 0.000 0.490 172 P HA 0.080 nan 4.420 nan 0.000 0.267 172 P C -1.095 176.166 177.300 -0.064 0.000 1.205 172 P CA 0.012 63.163 63.100 0.086 0.000 0.765 172 P CB 0.620 32.428 31.700 0.180 0.000 0.828 173 L N 1.598 122.667 121.223 -0.258 0.000 2.350 173 L HA 0.393 4.733 4.340 -0.000 0.000 0.260 173 L C 0.659 177.220 176.870 -0.516 0.000 1.015 173 L CA -0.364 54.205 54.840 -0.451 0.000 0.821 173 L CB 1.535 43.169 42.059 -0.709 0.000 1.370 173 L HN 0.292 nan 8.230 nan 0.000 0.416 174 D N 0.726 120.925 120.400 -0.335 0.000 2.619 174 D HA 0.228 4.868 4.640 -0.000 0.000 0.224 174 D C 0.959 177.188 176.300 -0.119 0.000 1.133 174 D CA -0.273 53.620 54.000 -0.177 0.000 1.017 174 D CB -0.591 40.157 40.800 -0.086 0.000 1.077 174 D HN 0.327 nan 8.370 nan 0.000 0.503 175 F N 1.204 121.167 119.950 0.021 0.000 2.051 175 F HA -0.017 4.510 4.527 -0.000 0.000 0.296 175 F C 3.169 178.978 175.800 0.016 0.000 1.122 175 F CA 1.999 60.008 58.000 0.014 0.000 1.201 175 F CB -0.707 38.309 39.000 0.027 0.000 0.978 175 F HN 0.414 nan 8.300 nan 0.000 0.472 176 K N 0.420 120.954 120.400 0.222 0.000 2.032 176 K HA -0.147 4.173 4.320 -0.000 0.000 0.209 176 K C 1.936 178.583 176.600 0.078 0.000 1.048 176 K CA 2.097 58.461 56.287 0.128 0.000 0.927 176 K CB -1.741 30.819 32.500 0.100 0.000 0.712 176 K HN 0.435 nan 8.250 nan 0.000 0.441 177 E N 1.687 121.918 120.200 0.052 0.000 1.989 177 E HA -0.075 4.275 4.350 -0.000 0.000 0.214 177 E C 0.920 177.537 176.600 0.029 0.000 0.915 177 E CA 1.284 57.700 56.400 0.027 0.000 1.012 177 E CB -0.727 28.975 29.700 0.004 0.000 0.865 177 E HN 0.746 nan 8.360 nan 0.000 0.577 178 N N 0.309 119.019 118.700 0.015 0.000 3.105 178 N HA 0.545 5.285 4.740 -0.000 0.000 0.256 178 N C 0.602 176.128 175.510 0.027 0.000 1.174 178 N CA 0.447 53.507 53.050 0.016 0.000 1.030 178 N CB 1.216 39.703 38.487 0.001 0.000 1.305 178 N HN 0.643 nan 8.380 nan 0.000 0.509 179 A N 1.400 124.258 122.820 0.063 0.000 1.877 179 A HA -0.321 3.999 4.320 -0.000 0.000 0.218 179 A C 1.969 179.597 177.584 0.073 0.000 1.301 179 A CA 1.755 53.859 52.037 0.111 0.000 0.699 179 A CB -0.786 18.280 19.000 0.112 0.000 0.844 179 A HN 0.643 nan 8.150 nan 0.000 0.464 180 E N -1.235 118.991 120.200 0.043 0.000 2.136 180 E HA -0.339 4.011 4.350 -0.000 0.000 0.202 180 E C 2.562 179.161 176.600 -0.001 0.000 1.019 180 E CA 2.279 58.688 56.400 0.015 0.000 0.819 180 E CB -0.342 29.362 29.700 0.006 0.000 0.739 180 E HN 0.734 nan 8.360 nan 0.000 0.458 181 Q N 0.077 119.876 119.800 -0.002 0.000 2.197 181 Q HA -0.242 4.098 4.340 -0.000 0.000 0.207 181 Q C 2.062 178.041 176.000 -0.035 0.000 0.984 181 Q CA 2.358 58.151 55.803 -0.017 0.000 0.869 181 Q CB -1.052 27.677 28.738 -0.015 0.000 0.906 181 Q HN 0.556 nan 8.270 nan 0.000 0.426 182 S N -0.440 115.237 115.700 -0.039 0.000 2.388 182 S HA -0.093 4.377 4.470 -0.000 0.000 0.223 182 S C 2.091 176.638 174.600 -0.089 0.000 1.034 182 S CA 0.781 58.926 58.200 -0.091 0.000 0.963 182 S CB -0.213 62.895 63.200 -0.152 0.000 0.827 182 S HN 0.703 nan 8.310 nan 0.000 0.481 183 R N 2.411 122.894 120.500 -0.028 0.000 2.148 183 R HA -0.096 4.244 4.340 -0.000 0.000 0.230 183 R C 2.317 178.559 176.300 -0.097 0.000 1.120 183 R CA 2.116 58.178 56.100 -0.063 0.000 0.902 183 R CB -1.478 28.796 30.300 -0.043 0.000 0.839 183 R HN 0.494 nan 8.270 nan 0.000 0.431 184 A N 0.238 123.019 122.820 -0.065 0.000 2.285 184 A HA -0.084 4.236 4.320 -0.000 0.000 0.214 184 A C 2.075 179.635 177.584 -0.041 0.000 1.188 184 A CA 1.766 53.772 52.037 -0.052 0.000 0.707 184 A CB -0.534 18.445 19.000 -0.036 0.000 0.771 184 A HN 0.662 nan 8.150 nan 0.000 0.488 185 A N -0.481 122.304 122.820 -0.059 0.000 1.997 185 A HA 0.229 4.549 4.320 -0.000 0.000 0.212 185 A C 1.952 179.521 177.584 -0.026 0.000 1.178 185 A CA 0.768 52.783 52.037 -0.038 0.000 0.698 185 A CB -0.252 18.711 19.000 -0.062 0.000 0.842 185 A HN 0.455 nan 8.150 nan 0.000 0.458 186 I N 0.254 120.741 120.570 -0.137 0.000 2.110 186 I HA -0.259 3.911 4.170 -0.000 0.000 0.236 186 I C 2.180 178.341 176.117 0.075 0.000 1.068 186 I CA 1.353 62.541 61.300 -0.187 0.000 1.333 186 I CB -0.731 36.956 38.000 -0.523 0.000 1.054 186 I HN 0.260 nan 8.210 nan 0.000 0.402 187 N N 1.649 120.349 118.700 -0.000 0.000 2.055 187 N HA -0.313 4.427 4.740 -0.000 0.000 0.200 187 N C 2.028 177.582 175.510 0.074 0.000 1.037 187 N CA 2.771 55.839 53.050 0.030 0.000 0.881 187 N CB -1.116 37.356 38.487 -0.025 0.000 1.075 187 N HN 0.359 nan 8.380 nan 0.000 0.470 188 K N 0.339 120.771 120.400 0.053 0.000 2.107 188 K HA -0.221 4.099 4.320 -0.000 0.000 0.211 188 K C 1.990 178.649 176.600 0.098 0.000 1.049 188 K CA 2.096 58.414 56.287 0.051 0.000 0.927 188 K CB -1.885 30.642 32.500 0.045 0.000 0.714 188 K HN 0.552 nan 8.250 nan 0.000 0.452 189 W N 0.720 122.019 121.300 -0.002 0.000 2.335 189 W HA -0.194 4.466 4.660 0.000 0.000 0.311 189 W C 1.985 178.523 176.519 0.032 0.000 1.213 189 W CA 1.996 59.361 57.345 0.033 0.000 1.274 189 W CB -0.361 29.157 29.460 0.098 0.000 1.148 189 W HN 0.079 nan 8.180 nan 0.000 0.498 190 V N 0.477 120.487 119.914 0.161 0.000 2.252 190 V HA -0.403 3.717 4.120 -0.000 0.000 0.249 190 V C 2.467 178.448 176.094 -0.188 0.000 1.056 190 V CA 2.372 64.642 62.300 -0.050 0.000 1.022 190 V CB -1.509 30.376 31.823 0.104 0.000 0.641 190 V HN 0.212 nan 8.190 nan 0.000 0.445 191 S N 0.125 115.762 115.700 -0.105 0.000 2.359 191 S HA -0.258 4.212 4.470 -0.000 0.000 0.222 191 S C 1.860 176.352 174.600 -0.179 0.000 1.038 191 S CA 1.763 59.886 58.200 -0.128 0.000 1.051 191 S CB -0.672 62.477 63.200 -0.085 0.000 0.944 191 S HN 0.680 nan 8.310 nan 0.000 0.433 192 N N 0.665 119.251 118.700 -0.190 0.000 2.666 192 N HA -0.066 4.674 4.740 -0.000 0.000 0.194 192 N C 1.242 176.572 175.510 -0.301 0.000 1.220 192 N CA 0.585 53.513 53.050 -0.203 0.000 0.928 192 N CB 0.064 38.464 38.487 -0.146 0.000 0.997 192 N HN 0.184 nan 8.380 nan 0.000 0.447 193 K N -0.510 119.660 120.400 -0.383 0.000 2.410 193 K HA 0.061 4.381 4.320 -0.000 0.000 0.204 193 K C 1.296 177.742 176.600 -0.257 0.000 1.268 193 K CA 0.904 56.942 56.287 -0.414 0.000 0.896 193 K CB -0.472 31.591 32.500 -0.728 0.000 1.401 193 K HN 0.192 nan 8.250 nan 0.000 0.479 194 T N 0.399 114.819 114.554 -0.224 0.000 3.317 194 T HA 0.091 4.441 4.350 -0.000 0.000 0.250 194 T C -0.177 174.413 174.700 -0.183 0.000 1.106 194 T CA 0.145 62.155 62.100 -0.151 0.000 0.986 194 T CB -0.551 68.256 68.868 -0.103 0.000 1.010 194 T HN 0.313 nan 8.240 nan 0.000 0.560 195 E N 0.321 120.413 120.200 -0.180 0.000 2.294 195 E HA -0.260 4.090 4.350 -0.000 0.000 0.228 195 E C 1.147 177.637 176.600 -0.183 0.000 1.253 195 E CA 0.256 56.555 56.400 -0.168 0.000 0.716 195 E CB -1.919 27.688 29.700 -0.155 0.000 1.184 195 E HN 0.898 nan 8.360 nan 0.000 0.374 196 G N -0.252 108.440 108.800 -0.179 0.000 4.024 196 G HA2 -0.434 3.526 3.960 -0.000 0.000 0.206 196 G HA3 -0.434 3.526 3.960 -0.000 0.000 0.206 196 G C 0.875 175.640 174.900 -0.224 0.000 1.608 196 G CA 0.266 45.258 45.100 -0.182 0.000 1.221 196 G HN 0.262 nan 8.290 nan 0.000 0.623 197 R N 0.589 120.903 120.500 -0.309 0.000 2.312 197 R HA -0.202 4.138 4.340 -0.000 0.000 0.233 197 R C 1.169 177.263 176.300 -0.344 0.000 1.097 197 R CA 2.280 58.135 56.100 -0.409 0.000 0.864 197 R CB -0.943 28.985 30.300 -0.620 0.000 0.987 197 R HN 0.517 nan 8.270 nan 0.000 0.405 198 I N -0.384 120.077 120.570 -0.181 0.000 2.440 198 I HA 0.251 4.421 4.170 -0.000 0.000 0.294 198 I C 0.244 176.303 176.117 -0.096 0.000 0.995 198 I CA 0.526 61.765 61.300 -0.102 0.000 1.306 198 I CB 1.798 39.813 38.000 0.026 0.000 1.407 198 I HN 0.121 nan 8.210 nan 0.000 0.501 199 T N 3.066 117.575 114.554 -0.077 0.000 2.885 199 T HA 0.355 4.705 4.350 -0.000 0.000 0.322 199 T C -1.204 173.476 174.700 -0.032 0.000 1.387 199 T CA -0.463 61.602 62.100 -0.057 0.000 1.041 199 T CB 0.620 69.438 68.868 -0.083 0.000 1.287 199 T HN 0.630 nan 8.240 nan 0.000 0.491 200 D N 1.219 121.601 120.400 -0.030 0.000 2.907 200 D HA -0.145 4.495 4.640 -0.000 0.000 0.226 200 D C 1.333 177.609 176.300 -0.039 0.000 1.141 200 D CA 1.111 55.088 54.000 -0.039 0.000 0.779 200 D CB -1.619 39.162 40.800 -0.031 0.000 1.095 200 D HN 0.459 nan 8.370 nan 0.000 0.430 201 V N -0.384 119.520 119.914 -0.016 0.000 2.313 201 V HA -0.252 3.868 4.120 -0.000 0.000 0.253 201 V C 1.047 177.078 176.094 -0.105 0.000 1.070 201 V CA 1.854 64.160 62.300 0.010 0.000 1.057 201 V CB -0.024 31.843 31.823 0.074 0.000 0.653 201 V HN 0.423 nan 8.190 nan 0.000 0.450 202 I N 2.528 122.946 120.570 -0.254 0.000 2.377 202 I HA 0.377 4.547 4.170 -0.000 0.000 0.293 202 I C -1.816 174.075 176.117 -0.376 0.000 0.987 202 I CA -2.058 58.874 61.300 -0.613 0.000 1.185 202 I CB 1.724 39.309 38.000 -0.691 0.000 1.341 202 I HN 0.219 nan 8.210 nan 0.000 0.455 203 P HA 0.179 nan 4.420 nan 0.000 0.307 203 P C -0.697 176.528 177.300 -0.125 0.000 1.306 203 P CA -0.436 62.577 63.100 -0.146 0.000 0.742 203 P CB 0.584 32.258 31.700 -0.045 0.000 1.349 204 S N -0.768 114.901 115.700 -0.053 0.000 2.462 204 S HA 0.233 4.703 4.470 -0.000 0.000 0.294 204 S C 0.235 174.831 174.600 -0.007 0.000 1.144 204 S CA -0.298 57.882 58.200 -0.033 0.000 1.088 204 S CB 0.400 63.589 63.200 -0.017 0.000 1.009 204 S HN 0.724 nan 8.310 nan 0.000 0.484 205 E N 0.654 120.853 120.200 -0.002 0.000 3.293 205 E HA -0.217 4.133 4.350 -0.000 0.000 0.316 205 E C 0.412 177.038 176.600 0.043 0.000 0.881 205 E CA 0.556 56.968 56.400 0.020 0.000 1.096 205 E CB -1.400 28.316 29.700 0.026 0.000 1.543 205 E HN 0.728 nan 8.360 nan 0.000 0.406 206 A N 0.012 122.852 122.820 0.032 0.000 1.963 206 A HA 0.376 4.696 4.320 -0.000 0.000 0.207 206 A C 0.918 178.557 177.584 0.092 0.000 1.243 206 A CA 0.471 52.576 52.037 0.113 0.000 0.728 206 A CB 0.532 19.546 19.000 0.024 0.000 0.895 206 A HN 0.228 nan 8.150 nan 0.000 0.467 207 I N 2.245 122.824 120.570 0.016 0.000 2.355 207 I HA 0.291 4.461 4.170 -0.000 0.000 0.288 207 I C -0.819 175.301 176.117 0.005 0.000 0.999 207 I CA -0.716 60.577 61.300 -0.013 0.000 1.163 207 I CB 1.382 39.371 38.000 -0.019 0.000 1.316 207 I HN 0.494 nan 8.210 nan 0.000 0.454 208 N N 3.173 121.871 118.700 -0.003 0.000 3.002 208 N HA 0.352 5.092 4.740 -0.000 0.000 0.331 208 N C 0.224 175.755 175.510 0.035 0.000 1.384 208 N CA -0.693 52.372 53.050 0.025 0.000 0.780 208 N CB 0.316 38.819 38.487 0.027 0.000 1.492 208 N HN 0.352 nan 8.380 nan 0.000 0.608 209 E N -0.476 119.755 120.200 0.052 0.000 2.888 209 E HA 0.280 4.630 4.350 -0.000 0.000 0.271 209 E C 0.414 177.054 176.600 0.066 0.000 1.527 209 E CA 0.224 56.667 56.400 0.071 0.000 1.700 209 E CB -1.481 28.256 29.700 0.062 0.000 1.410 209 E HN 0.548 nan 8.360 nan 0.000 0.445 210 L N -1.747 119.503 121.223 0.045 0.000 4.117 210 L HA 0.074 4.414 4.340 -0.000 0.000 0.403 210 L C 0.803 177.674 176.870 0.002 0.000 1.051 210 L CA -0.186 54.694 54.840 0.067 0.000 1.521 210 L CB 0.501 42.614 42.059 0.090 0.000 1.894 210 L HN 0.122 nan 8.230 nan 0.000 0.632 211 T N 2.535 117.006 114.554 -0.138 0.000 2.833 211 T HA 0.035 4.385 4.350 -0.000 0.000 0.254 211 T C 1.423 175.739 174.700 -0.640 0.000 0.972 211 T CA 0.404 62.263 62.100 -0.401 0.000 1.246 211 T CB 0.482 69.026 68.868 -0.539 0.000 0.949 211 T HN 0.229 nan 8.240 nan 0.000 0.567 212 V N 2.292 121.960 119.914 -0.410 0.000 2.599 212 V HA 0.427 4.547 4.120 -0.000 0.000 0.245 212 V C 0.409 176.405 176.094 -0.165 0.000 1.046 212 V CA 0.352 62.528 62.300 -0.206 0.000 1.065 212 V CB -0.201 31.551 31.823 -0.120 0.000 0.703 212 V HN 0.519 nan 8.190 nan 0.000 0.464 213 L N 1.872 122.893 121.223 -0.337 0.000 2.505 213 L HA 0.770 5.110 4.340 -0.000 0.000 0.266 213 L C -0.994 175.771 176.870 -0.175 0.000 0.954 213 L CA -0.613 54.127 54.840 -0.167 0.000 0.852 213 L CB 2.095 44.060 42.059 -0.157 0.000 1.282 213 L HN 0.204 nan 8.230 nan 0.000 0.403 214 V N 2.373 122.272 119.914 -0.025 0.000 2.709 214 V HA 0.673 4.793 4.120 -0.000 0.000 0.308 214 V C -0.862 175.289 176.094 0.096 0.000 1.062 214 V CA -0.841 61.477 62.300 0.030 0.000 0.901 214 V CB 1.789 33.696 31.823 0.140 0.000 1.003 214 V HN 0.622 nan 8.190 nan 0.000 0.425 215 L N 4.476 125.702 121.223 0.006 0.000 2.276 215 L HA 0.673 5.013 4.340 -0.000 0.000 0.286 215 L C -0.102 176.861 176.870 0.154 0.000 1.061 215 L CA 0.128 54.957 54.840 -0.018 0.000 0.807 215 L CB 1.582 43.496 42.059 -0.242 0.000 1.177 215 L HN 0.673 nan 8.230 nan 0.000 0.429 216 V N 3.605 123.659 119.914 0.233 0.000 2.419 216 V HA 0.498 4.618 4.120 -0.000 0.000 0.287 216 V C -0.915 175.366 176.094 0.312 0.000 1.017 216 V CA -0.866 61.638 62.300 0.340 0.000 0.844 216 V CB 1.361 33.487 31.823 0.504 0.000 1.011 216 V HN 0.895 nan 8.190 nan 0.000 0.429 217 N N 2.072 120.949 118.700 0.295 0.000 2.295 217 N HA 0.850 5.590 4.740 -0.000 0.000 0.293 217 N C -0.721 174.905 175.510 0.193 0.000 1.040 217 N CA -0.724 52.493 53.050 0.280 0.000 0.840 217 N CB 2.426 41.114 38.487 0.335 0.000 1.468 217 N HN 0.608 nan 8.380 nan 0.000 0.478 218 T N -1.012 113.629 114.554 0.145 0.000 2.956 218 T HA 0.691 5.041 4.350 -0.000 0.000 0.312 218 T C -0.845 173.943 174.700 0.147 0.000 1.151 218 T CA -0.731 61.411 62.100 0.070 0.000 1.024 218 T CB 0.630 69.558 68.868 0.101 0.000 1.140 218 T HN 0.489 nan 8.240 nan 0.000 0.473 219 I N 1.904 122.593 120.570 0.200 0.000 2.865 219 I HA 0.588 4.758 4.170 -0.000 0.000 0.302 219 I C -1.556 174.833 176.117 0.452 0.000 1.140 219 I CA -1.363 60.150 61.300 0.355 0.000 1.021 219 I CB 2.645 40.942 38.000 0.495 0.000 1.233 219 I HN 0.812 nan 8.210 nan 0.000 0.427 220 Y N 4.882 125.386 120.300 0.341 0.000 2.462 220 Y HA 0.714 5.264 4.550 -0.000 0.000 0.346 220 Y C -1.904 174.176 175.900 0.301 0.000 0.976 220 Y CA -1.049 57.244 58.100 0.321 0.000 1.044 220 Y CB 1.890 40.478 38.460 0.213 0.000 1.230 220 Y HN 0.454 nan 8.280 nan 0.000 0.455 221 F N 5.659 125.066 119.950 -0.905 0.000 2.615 221 F HA 0.526 5.053 4.527 0.000 0.000 0.312 221 F C -1.873 173.387 175.800 -0.900 0.000 1.119 221 F CA -0.819 56.769 58.000 -0.687 0.000 0.979 221 F CB 1.634 40.279 39.000 -0.592 0.000 1.266 221 F HN 0.478 nan 8.300 nan 0.000 0.444 222 K N 4.541 124.276 120.400 -1.109 0.000 2.690 222 K HA 0.617 4.937 4.320 -0.000 0.000 0.243 222 K C -0.360 175.603 176.600 -1.062 0.000 0.982 222 K CA -0.438 55.391 56.287 -0.763 0.000 0.955 222 K CB 1.147 33.416 32.500 -0.385 0.000 1.185 222 K HN 0.839 nan 8.250 nan 0.000 0.467 223 G N 1.985 110.177 108.800 -1.014 0.000 2.653 223 G HA2 0.381 4.341 3.960 -0.000 0.000 0.265 223 G HA3 0.381 4.341 3.960 -0.000 0.000 0.265 223 G C -1.265 173.080 174.900 -0.925 0.000 1.237 223 G CA -0.555 43.680 45.100 -1.442 0.000 0.946 223 G HN 0.464 nan 8.290 nan 0.000 0.522 224 L N -0.338 120.485 121.223 -0.667 0.000 2.372 224 L HA 0.469 4.809 4.340 -0.000 0.000 0.274 224 L C -0.624 176.422 176.870 0.294 0.000 0.988 224 L CA -1.165 53.553 54.840 -0.203 0.000 0.833 224 L CB 1.213 43.200 42.059 -0.120 0.000 1.236 224 L HN 0.664 nan 8.230 nan 0.000 0.410 225 W N 5.041 126.538 121.300 0.328 0.000 2.193 225 W HA 0.081 4.741 4.660 -0.000 0.000 0.338 225 W C 1.454 178.091 176.519 0.196 0.000 1.310 225 W CA -0.397 57.142 57.345 0.323 0.000 1.243 225 W CB 0.851 30.478 29.460 0.278 0.000 1.165 225 W HN 0.632 nan 8.180 nan 0.000 0.566 226 K N 1.285 121.949 120.400 0.440 0.000 2.062 226 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 226 K C 0.757 177.429 176.600 0.119 0.000 1.051 226 K CA 1.062 57.472 56.287 0.205 0.000 0.941 226 K CB 0.019 32.580 32.500 0.101 0.000 0.719 226 K HN 0.272 nan 8.250 nan 0.000 0.440 227 S N 0.240 115.987 115.700 0.077 0.000 2.566 227 S HA 0.438 4.908 4.470 -0.000 0.000 0.324 227 S C -0.233 174.387 174.600 0.033 0.000 1.081 227 S CA -0.593 57.586 58.200 -0.034 0.000 1.105 227 S CB 1.207 64.263 63.200 -0.241 0.000 0.981 227 S HN 0.358 nan 8.310 nan 0.000 0.464 228 K N 3.150 123.629 120.400 0.131 0.000 2.251 228 K HA 0.430 4.750 4.320 -0.000 0.000 0.247 228 K C -0.484 176.181 176.600 0.108 0.000 1.098 228 K CA 0.754 57.201 56.287 0.266 0.000 0.800 228 K CB -0.196 32.430 32.500 0.209 0.000 1.086 228 K HN 0.677 nan 8.250 nan 0.000 0.520 229 F N -1.258 118.800 119.950 0.181 0.000 2.588 229 F HA 0.358 4.885 4.527 -0.000 0.000 0.314 229 F C 0.263 176.136 175.800 0.122 0.000 1.134 229 F CA -0.491 57.580 58.000 0.118 0.000 0.961 229 F CB 2.706 41.797 39.000 0.151 0.000 1.239 229 F HN 0.455 nan 8.300 nan 0.000 0.448 230 S N 4.420 120.283 115.700 0.272 0.000 2.499 230 S HA 0.264 4.734 4.470 -0.000 0.000 0.275 230 S C -1.778 172.942 174.600 0.199 0.000 1.257 230 S CA -1.355 56.961 58.200 0.192 0.000 1.050 230 S CB 1.166 64.447 63.200 0.134 0.000 0.937 230 S HN 0.354 nan 8.310 nan 0.000 0.490 231 P HA -0.040 nan 4.420 nan 0.000 0.218 231 P C 1.158 178.514 177.300 0.094 0.000 1.149 231 P CA 0.652 63.822 63.100 0.117 0.000 0.817 231 P CB 0.084 31.838 31.700 0.090 0.000 0.785 232 E N -1.098 119.154 120.200 0.087 0.000 2.401 232 E HA -0.088 4.262 4.350 -0.000 0.000 0.199 232 E C 1.165 177.803 176.600 0.065 0.000 1.023 232 E CA 0.708 57.146 56.400 0.064 0.000 0.859 232 E CB -1.180 28.554 29.700 0.057 0.000 0.780 232 E HN 0.406 nan 8.360 nan 0.000 0.523 233 N N 0.238 118.999 118.700 0.101 0.000 2.275 233 N HA 0.078 4.818 4.740 -0.000 0.000 0.236 233 N C -0.692 174.884 175.510 0.108 0.000 1.154 233 N CA 0.155 53.268 53.050 0.105 0.000 0.866 233 N CB 1.298 39.906 38.487 0.202 0.000 1.093 233 N HN 0.191 nan 8.380 nan 0.000 0.515 234 T N 1.449 116.056 114.554 0.089 0.000 2.797 234 T HA 0.570 4.920 4.350 -0.000 0.000 0.279 234 T C 0.221 174.948 174.700 0.045 0.000 0.991 234 T CA -0.664 61.481 62.100 0.076 0.000 0.979 234 T CB 1.768 70.683 68.868 0.078 0.000 0.943 234 T HN 0.273 nan 8.240 nan 0.000 0.444 235 R N 0.599 121.122 120.500 0.039 0.000 2.663 235 R HA 0.475 4.815 4.340 -0.000 0.000 0.267 235 R C -1.474 174.852 176.300 0.043 0.000 1.038 235 R CA -1.313 54.805 56.100 0.029 0.000 0.886 235 R CB 1.058 31.362 30.300 0.007 0.000 1.249 235 R HN 0.154 nan 8.270 nan 0.000 0.463 236 K N 1.992 122.416 120.400 0.040 0.000 2.412 236 K HA 0.133 4.453 4.320 -0.000 0.000 0.284 236 K C -0.467 176.167 176.600 0.057 0.000 1.046 236 K CA 0.385 56.703 56.287 0.051 0.000 0.999 236 K CB 0.741 33.264 32.500 0.037 0.000 0.941 236 K HN 0.587 nan 8.250 nan 0.000 0.474 237 E N 1.871 122.123 120.200 0.086 0.000 2.440 237 E HA 0.417 4.767 4.350 -0.000 0.000 0.263 237 E C -0.465 176.203 176.600 0.113 0.000 0.938 237 E CA -0.985 55.474 56.400 0.099 0.000 0.831 237 E CB 1.607 31.382 29.700 0.124 0.000 1.456 237 E HN 0.275 nan 8.360 nan 0.000 0.427 238 L N 1.216 122.508 121.223 0.116 0.000 2.399 238 L HA 0.380 4.720 4.340 -0.000 0.000 0.266 238 L C -0.684 176.264 176.870 0.131 0.000 1.114 238 L CA -0.292 54.571 54.840 0.039 0.000 0.804 238 L CB 0.521 42.519 42.059 -0.102 0.000 1.146 238 L HN 0.391 nan 8.230 nan 0.000 0.451 239 F N 1.240 121.108 119.950 -0.137 0.000 2.536 239 F HA 0.348 4.875 4.527 -0.000 0.000 0.322 239 F C -0.812 174.898 175.800 -0.150 0.000 1.144 239 F CA -0.567 57.442 58.000 0.015 0.000 0.924 239 F CB 1.081 40.092 39.000 0.019 0.000 1.181 239 F HN 0.184 nan 8.300 nan 0.000 0.438 240 Y N 5.514 125.780 120.300 -0.056 0.000 2.802 240 Y HA 0.287 4.837 4.550 -0.000 0.000 0.330 240 Y C 0.696 176.647 175.900 0.085 0.000 1.193 240 Y CA -0.923 57.184 58.100 0.011 0.000 1.427 240 Y CB 0.037 38.453 38.460 -0.072 0.000 1.357 240 Y HN 0.362 nan 8.280 nan 0.000 0.501 241 K N 0.653 121.192 120.400 0.230 0.000 2.505 241 K HA -0.063 4.257 4.320 -0.000 0.000 0.272 241 K C 1.095 177.769 176.600 0.124 0.000 0.963 241 K CA 0.503 56.903 56.287 0.188 0.000 0.932 241 K CB 0.417 32.974 32.500 0.095 0.000 0.924 241 K HN 0.708 nan 8.250 nan 0.000 0.520 242 A N 1.594 124.469 122.820 0.091 0.000 2.169 242 A HA -0.087 4.233 4.320 -0.000 0.000 0.212 242 A C 1.258 178.865 177.584 0.038 0.000 1.153 242 A CA 1.196 53.268 52.037 0.058 0.000 0.756 242 A CB -0.179 18.847 19.000 0.043 0.000 0.813 242 A HN 0.840 nan 8.150 nan 0.000 0.471 243 D N -1.924 118.497 120.400 0.034 0.000 2.339 243 D HA 0.242 4.882 4.640 -0.000 0.000 0.217 243 D C 1.207 177.522 176.300 0.024 0.000 1.050 243 D CA 1.052 55.064 54.000 0.020 0.000 0.856 243 D CB -0.174 40.632 40.800 0.010 0.000 0.922 243 D HN 0.593 nan 8.370 nan 0.000 0.518 244 G N 0.246 109.069 108.800 0.038 0.000 2.358 244 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.224 244 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.224 244 G C 0.372 175.294 174.900 0.037 0.000 1.073 244 G CA 0.224 45.349 45.100 0.042 0.000 0.635 244 G HN 0.479 nan 8.290 nan 0.000 0.509 245 E N 1.398 121.609 120.200 0.019 0.000 2.504 245 E HA 0.483 4.833 4.350 -0.000 0.000 0.266 245 E C 0.798 177.375 176.600 -0.038 0.000 1.239 245 E CA 0.891 57.289 56.400 -0.005 0.000 1.064 245 E CB 0.245 29.942 29.700 -0.006 0.000 0.996 245 E HN 0.455 nan 8.360 nan 0.000 0.479 246 S N -1.107 114.547 115.700 -0.076 0.000 2.704 246 S HA 0.725 5.195 4.470 -0.000 0.000 0.305 246 S C -0.903 173.638 174.600 -0.098 0.000 1.107 246 S CA -0.709 57.392 58.200 -0.165 0.000 0.993 246 S CB 1.686 64.785 63.200 -0.168 0.000 1.110 246 S HN 0.560 nan 8.310 nan 0.000 0.534 247 c N 0.794 119.329 118.600 -0.108 0.000 3.284 247 c HA 0.700 5.270 4.570 -0.000 0.000 0.338 247 c C -0.782 173.310 174.090 0.002 0.000 1.237 247 c CA -0.611 55.703 56.329 -0.024 0.000 1.276 247 c CB 1.626 44.154 42.510 0.030 0.000 1.601 247 c HN 0.796 nan 8.230 nan 0.000 0.494 248 S N 2.092 117.799 115.700 0.012 0.000 2.640 248 S HA 0.853 5.323 4.470 -0.000 0.000 0.320 248 S C -0.383 174.245 174.600 0.046 0.000 1.097 248 S CA 0.225 58.445 58.200 0.034 0.000 1.092 248 S CB 0.696 63.905 63.200 0.015 0.000 0.988 248 S HN 1.303 nan 8.310 nan 0.000 0.470 249 A N 3.437 126.313 122.820 0.092 0.000 2.437 249 A HA 0.843 5.163 4.320 -0.000 0.000 0.292 249 A C -0.270 177.374 177.584 0.101 0.000 1.173 249 A CA -0.767 51.319 52.037 0.081 0.000 0.785 249 A CB 1.289 20.336 19.000 0.078 0.000 1.351 249 A HN 0.670 nan 8.150 nan 0.000 0.431 250 S N 0.479 116.233 115.700 0.089 0.000 2.455 250 S HA 0.409 4.879 4.470 -0.000 0.000 0.278 250 S C -0.315 174.355 174.600 0.117 0.000 1.216 250 S CA 0.128 58.379 58.200 0.085 0.000 1.055 250 S CB -0.126 63.114 63.200 0.067 0.000 0.939 250 S HN 0.498 nan 8.310 nan 0.000 0.494 251 M N 4.582 124.250 119.600 0.113 0.000 2.167 251 M HA 0.470 4.950 4.480 -0.000 0.000 0.333 251 M C -0.541 175.811 176.300 0.086 0.000 1.030 251 M CA -0.254 55.125 55.300 0.131 0.000 0.963 251 M CB 0.788 33.482 32.600 0.157 0.000 1.589 251 M HN 0.573 nan 8.290 nan 0.000 0.431 252 M N 2.988 122.607 119.600 0.031 0.000 2.371 252 M HA 0.496 4.976 4.480 -0.000 0.000 0.301 252 M C -1.186 175.227 176.300 0.188 0.000 1.173 252 M CA -0.614 54.679 55.300 -0.011 0.000 1.020 252 M CB 1.330 33.661 32.600 -0.448 0.000 1.490 252 M HN 0.619 nan 8.290 nan 0.000 0.485 253 Y N 0.980 121.441 120.300 0.269 0.000 2.474 253 Y HA 0.430 4.980 4.550 0.000 0.000 0.326 253 Y C -1.859 174.182 175.900 0.235 0.000 1.160 253 Y CA -0.731 57.506 58.100 0.227 0.000 1.056 253 Y CB 1.433 39.822 38.460 -0.119 0.000 1.330 253 Y HN 0.740 nan 8.280 nan 0.000 0.447 254 Q N 3.288 122.788 119.800 -0.501 0.000 2.545 254 Q HA 0.474 4.814 4.340 -0.000 0.000 0.273 254 Q C -2.189 173.427 176.000 -0.641 0.000 0.975 254 Q CA -1.079 54.371 55.803 -0.588 0.000 0.876 254 Q CB 2.292 30.563 28.738 -0.779 0.000 1.472 254 Q HN 0.703 nan 8.270 nan 0.000 0.389 255 E N 0.347 120.305 120.200 -0.404 0.000 2.195 255 E HA 0.810 5.160 4.350 -0.000 0.000 0.271 255 E C -0.873 175.696 176.600 -0.051 0.000 0.923 255 E CA -0.702 55.560 56.400 -0.230 0.000 0.790 255 E CB 1.761 31.362 29.700 -0.165 0.000 1.155 255 E HN 0.852 nan 8.360 nan 0.000 0.402 256 G N 0.850 109.724 108.800 0.123 0.000 2.451 256 G HA2 0.165 4.125 3.960 -0.000 0.000 0.292 256 G HA3 0.165 4.125 3.960 -0.000 0.000 0.292 256 G C -1.530 173.449 174.900 0.133 0.000 1.427 256 G CA -0.750 44.394 45.100 0.073 0.000 0.792 256 G HN 0.293 nan 8.290 nan 0.000 0.498 257 K N 0.034 120.368 120.400 -0.111 0.000 2.276 257 K HA 0.714 5.034 4.320 -0.000 0.000 0.285 257 K C -0.991 175.487 176.600 -0.204 0.000 1.062 257 K CA -0.304 55.957 56.287 -0.043 0.000 0.918 257 K CB 0.391 32.847 32.500 -0.074 0.000 1.055 257 K HN 0.364 nan 8.250 nan 0.000 0.477 258 F N 0.251 120.140 119.950 -0.101 0.000 2.640 258 F HA 0.536 5.063 4.527 -0.000 0.000 0.324 258 F C 0.889 176.667 175.800 -0.036 0.000 1.077 258 F CA -1.458 56.481 58.000 -0.101 0.000 0.965 258 F CB 1.716 40.617 39.000 -0.166 0.000 1.351 258 F HN 0.186 nan 8.300 nan 0.000 0.487 259 R N 0.858 121.467 120.500 0.181 0.000 2.410 259 R HA 0.483 4.823 4.340 -0.000 0.000 0.288 259 R C -1.659 174.757 176.300 0.193 0.000 1.051 259 R CA -0.661 55.519 56.100 0.133 0.000 1.021 259 R CB 1.389 31.732 30.300 0.071 0.000 1.032 259 R HN 0.703 nan 8.270 nan 0.000 0.481 260 Y N 0.878 121.186 120.300 0.014 0.000 2.641 260 Y HA 0.485 5.035 4.550 0.000 0.000 0.333 260 Y C -1.893 174.019 175.900 0.019 0.000 1.174 260 Y CA -1.290 56.810 58.100 0.001 0.000 1.057 260 Y CB 1.655 40.111 38.460 -0.007 0.000 1.322 260 Y HN 0.607 nan 8.280 nan 0.000 0.457 261 R N 3.660 123.628 120.500 -0.887 0.000 2.536 261 R HA 0.448 4.788 4.340 -0.000 0.000 0.269 261 R C -2.342 173.527 176.300 -0.718 0.000 1.113 261 R CA -0.768 54.839 56.100 -0.823 0.000 0.948 261 R CB 1.452 31.581 30.300 -0.286 0.000 1.237 261 R HN 0.867 nan 8.270 nan 0.000 0.441 262 R N 4.818 124.969 120.500 -0.582 0.000 2.247 262 R HA 0.368 4.708 4.340 -0.000 0.000 0.329 262 R C -0.090 176.147 176.300 -0.104 0.000 1.014 262 R CA -0.591 55.388 56.100 -0.203 0.000 0.907 262 R CB 0.646 30.923 30.300 -0.039 0.000 1.146 262 R HN 0.624 nan 8.270 nan 0.000 0.499 263 V N 2.011 121.900 119.914 -0.043 0.000 3.139 263 V HA 0.120 4.240 4.120 -0.000 0.000 0.307 263 V C 1.647 177.755 176.094 0.023 0.000 1.095 263 V CA 0.492 62.807 62.300 0.024 0.000 1.160 263 V CB 0.625 32.523 31.823 0.125 0.000 1.003 263 V HN 0.891 nan 8.190 nan 0.000 0.489 264 A N 0.872 123.710 122.820 0.030 0.000 1.884 264 A HA -0.279 4.041 4.320 -0.000 0.000 0.219 264 A C 2.137 179.739 177.584 0.029 0.000 1.197 264 A CA 2.483 54.534 52.037 0.023 0.000 0.637 264 A CB -1.066 17.948 19.000 0.023 0.000 0.827 264 A HN 1.185 nan 8.150 nan 0.000 0.450 265 E N -1.552 118.678 120.200 0.050 0.000 2.086 265 E HA -0.066 4.284 4.350 -0.000 0.000 0.200 265 E C 1.347 177.967 176.600 0.033 0.000 1.012 265 E CA 2.028 58.459 56.400 0.052 0.000 0.812 265 E CB -0.329 29.425 29.700 0.091 0.000 0.743 265 E HN 0.932 nan 8.360 nan 0.000 0.453 266 G N -0.676 108.142 108.800 0.029 0.000 2.296 266 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.188 266 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.188 266 G C 0.327 175.217 174.900 -0.018 0.000 1.000 266 G CA 0.123 45.224 45.100 0.002 0.000 0.672 266 G HN 0.340 nan 8.290 nan 0.000 0.483 267 T N 1.596 116.143 114.554 -0.011 0.000 2.906 267 T HA 0.415 4.765 4.350 -0.000 0.000 0.320 267 T C 0.190 174.827 174.700 -0.105 0.000 1.088 267 T CA 0.456 62.507 62.100 -0.080 0.000 1.120 267 T CB 1.217 70.017 68.868 -0.113 0.000 1.000 267 T HN 0.336 nan 8.240 nan 0.000 0.550 268 Q N 0.979 120.707 119.800 -0.120 0.000 2.322 268 Q HA 0.485 4.825 4.340 -0.000 0.000 0.265 268 Q C -1.161 174.910 176.000 0.119 0.000 0.985 268 Q CA -0.657 55.162 55.803 0.027 0.000 0.849 268 Q CB 1.844 30.595 28.738 0.021 0.000 1.274 268 Q HN 0.413 nan 8.270 nan 0.000 0.449 269 V N 4.443 124.415 119.914 0.097 0.000 2.347 269 V HA 0.363 4.483 4.120 -0.000 0.000 0.280 269 V C -0.657 175.522 176.094 0.142 0.000 1.021 269 V CA -0.676 61.656 62.300 0.052 0.000 0.847 269 V CB 1.106 32.906 31.823 -0.040 0.000 0.990 269 V HN 0.539 nan 8.190 nan 0.000 0.444 270 L N 4.369 125.593 121.223 0.001 0.000 2.356 270 L HA 0.621 4.961 4.340 -0.000 0.000 0.277 270 L C -0.346 176.412 176.870 -0.187 0.000 0.996 270 L CA -0.027 54.662 54.840 -0.252 0.000 0.822 270 L CB 1.796 43.195 42.059 -1.100 0.000 1.256 270 L HN 0.758 nan 8.230 nan 0.000 0.413 271 E N 5.332 125.481 120.200 -0.085 0.000 2.151 271 E HA 0.482 4.832 4.350 -0.000 0.000 0.275 271 E C -1.704 174.886 176.600 -0.015 0.000 0.936 271 E CA -0.595 55.785 56.400 -0.034 0.000 0.777 271 E CB 1.108 30.818 29.700 0.016 0.000 1.108 271 E HN 0.674 nan 8.360 nan 0.000 0.401 272 L N 7.207 128.395 121.223 -0.057 0.000 2.342 272 L HA 0.463 4.803 4.340 -0.000 0.000 0.276 272 L C -2.212 174.607 176.870 -0.085 0.000 0.997 272 L CA -2.081 52.733 54.840 -0.043 0.000 0.838 272 L CB 1.683 43.599 42.059 -0.238 0.000 1.224 272 L HN 0.408 nan 8.230 nan 0.000 0.416 273 P HA 0.266 nan 4.420 nan 0.000 0.276 273 P C -0.955 176.428 177.300 0.139 0.000 1.244 273 P CA -0.261 62.836 63.100 -0.005 0.000 0.801 273 P CB 1.063 32.779 31.700 0.027 0.000 1.006 274 F N -0.678 119.451 119.950 0.299 0.000 2.461 274 F HA 0.456 4.983 4.527 -0.000 0.000 0.337 274 F C 1.477 177.388 175.800 0.185 0.000 1.079 274 F CA -0.724 57.455 58.000 0.297 0.000 1.032 274 F CB -0.488 38.666 39.000 0.257 0.000 1.327 274 F HN 0.193 nan 8.300 nan 0.000 0.491 275 K N 0.204 120.818 120.400 0.357 0.000 2.466 275 K HA 0.404 4.724 4.320 -0.000 0.000 0.278 275 K C 0.918 177.615 176.600 0.162 0.000 1.048 275 K CA 0.530 56.935 56.287 0.196 0.000 1.088 275 K CB -1.370 31.203 32.500 0.122 0.000 0.884 275 K HN 1.482 nan 8.250 nan 0.000 0.478 276 G N 1.587 110.459 108.800 0.120 0.000 2.175 276 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.244 276 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.244 276 G C 0.452 175.413 174.900 0.102 0.000 0.982 276 G CA 0.571 45.730 45.100 0.098 0.000 0.641 276 G HN 1.367 nan 8.290 nan 0.000 0.527 277 D N -0.211 120.261 120.400 0.121 0.000 2.955 277 D HA -0.146 4.494 4.640 -0.000 0.000 0.226 277 D C 0.741 177.111 176.300 0.117 0.000 1.178 277 D CA 1.468 55.531 54.000 0.104 0.000 0.808 277 D CB -1.021 39.816 40.800 0.062 0.000 1.099 277 D HN 0.636 nan 8.370 nan 0.000 0.421 278 D N -0.594 119.896 120.400 0.151 0.000 2.338 278 D HA 0.044 4.684 4.640 -0.000 0.000 0.208 278 D C 0.896 177.312 176.300 0.193 0.000 0.997 278 D CA 0.420 54.511 54.000 0.150 0.000 0.880 278 D CB 0.957 41.840 40.800 0.139 0.000 0.980 278 D HN 0.272 nan 8.370 nan 0.000 0.509 279 I N 1.992 122.723 120.570 0.269 0.000 2.468 279 I HA 0.115 4.285 4.170 -0.000 0.000 0.284 279 I C 0.265 176.564 176.117 0.303 0.000 1.038 279 I CA -0.396 61.119 61.300 0.359 0.000 1.083 279 I CB 1.286 39.621 38.000 0.559 0.000 1.223 279 I HN -0.233 nan 8.210 nan 0.000 0.443 280 T N 3.238 117.873 114.554 0.134 0.000 2.945 280 T HA 0.689 5.039 4.350 -0.000 0.000 0.286 280 T C -0.148 174.513 174.700 -0.064 0.000 1.025 280 T CA -0.800 61.270 62.100 -0.050 0.000 1.039 280 T CB 2.616 71.487 68.868 0.004 0.000 1.068 280 T HN 0.519 nan 8.240 nan 0.000 0.497 281 M N 4.080 123.576 119.600 -0.174 0.000 2.065 281 M HA 0.393 4.873 4.480 -0.000 0.000 0.308 281 M C -0.673 175.671 176.300 0.073 0.000 0.939 281 M CA -0.862 54.446 55.300 0.013 0.000 0.890 281 M CB 0.753 33.368 32.600 0.026 0.000 1.383 281 M HN 0.749 nan 8.290 nan 0.000 0.381 282 V N 6.111 126.102 119.914 0.130 0.000 2.811 282 V HA 0.451 4.571 4.120 -0.000 0.000 0.302 282 V C -0.838 175.380 176.094 0.207 0.000 1.063 282 V CA -0.079 62.288 62.300 0.112 0.000 1.088 282 V CB 1.122 33.013 31.823 0.113 0.000 0.982 282 V HN 0.865 nan 8.190 nan 0.000 0.485 283 L N 6.251 127.537 121.223 0.106 0.000 2.354 283 L HA 0.624 4.964 4.340 -0.000 0.000 0.269 283 L C -0.859 176.134 176.870 0.205 0.000 1.005 283 L CA -0.788 54.165 54.840 0.188 0.000 0.819 283 L CB 1.941 44.019 42.059 0.032 0.000 1.311 283 L HN 0.391 nan 8.230 nan 0.000 0.423 284 I N 4.166 124.859 120.570 0.204 0.000 2.390 284 I HA 0.295 4.465 4.170 -0.000 0.000 0.283 284 I C -0.762 175.370 176.117 0.024 0.000 1.016 284 I CA -0.436 60.840 61.300 -0.041 0.000 1.151 284 I CB 1.528 39.315 38.000 -0.356 0.000 1.293 284 I HN 0.340 nan 8.210 nan 0.000 0.458 285 L N 10.555 131.779 121.223 0.001 0.000 2.295 285 L HA 0.682 5.022 4.340 -0.000 0.000 0.281 285 L C -2.358 174.405 176.870 -0.179 0.000 1.018 285 L CA -2.022 52.751 54.840 -0.112 0.000 0.841 285 L CB 1.293 43.081 42.059 -0.450 0.000 1.218 285 L HN 0.214 nan 8.230 nan 0.000 0.424 286 P HA 0.104 nan 4.420 nan 0.000 0.280 286 P C -1.152 176.082 177.300 -0.109 0.000 1.278 286 P CA -0.262 62.783 63.100 -0.091 0.000 0.787 286 P CB 0.548 32.228 31.700 -0.033 0.000 1.163 287 K N -0.289 120.067 120.400 -0.074 0.000 2.154 287 K HA 0.302 4.622 4.320 -0.000 0.000 0.264 287 K C -2.003 174.549 176.600 -0.080 0.000 1.008 287 K CA -1.643 54.594 56.287 -0.082 0.000 0.937 287 K CB -0.497 31.972 32.500 -0.052 0.000 1.002 287 K HN 0.136 nan 8.250 nan 0.000 0.469 288 P HA -0.121 nan 4.420 nan 0.000 0.222 288 P C 0.439 177.703 177.300 -0.060 0.000 1.147 288 P CA 1.003 64.047 63.100 -0.094 0.000 0.790 288 P CB 0.234 31.859 31.700 -0.124 0.000 0.780 289 E N -0.177 119.994 120.200 -0.049 0.000 2.047 289 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 289 E C 0.909 177.498 176.600 -0.018 0.000 0.987 289 E CA 1.094 57.476 56.400 -0.031 0.000 0.799 289 E CB -0.600 29.085 29.700 -0.025 0.000 0.752 289 E HN 0.062 nan 8.360 nan 0.000 0.449 290 K N 0.684 121.074 120.400 -0.016 0.000 2.295 290 K HA 0.147 4.467 4.320 -0.000 0.000 0.270 290 K C -0.796 175.805 176.600 0.002 0.000 1.011 290 K CA -0.093 56.194 56.287 0.001 0.000 0.953 290 K CB 0.835 33.340 32.500 0.009 0.000 0.956 290 K HN -0.006 nan 8.250 nan 0.000 0.477 291 S N 4.111 119.820 115.700 0.015 0.000 2.429 291 S HA 0.159 4.629 4.470 -0.000 0.000 0.302 291 S C 0.825 175.446 174.600 0.034 0.000 1.115 291 S CA -0.883 57.329 58.200 0.020 0.000 1.095 291 S CB 1.210 64.422 63.200 0.020 0.000 0.987 291 S HN 0.644 nan 8.310 nan 0.000 0.474 292 L N 2.990 124.234 121.223 0.034 0.000 2.283 292 L HA -0.174 4.166 4.340 -0.000 0.000 0.217 292 L C 2.200 179.113 176.870 0.072 0.000 1.104 292 L CA 2.309 57.180 54.840 0.051 0.000 0.772 292 L CB -1.080 41.006 42.059 0.045 0.000 0.899 292 L HN 0.917 nan 8.230 nan 0.000 0.439 293 A N -0.675 122.179 122.820 0.057 0.000 1.854 293 A HA -0.195 4.125 4.320 -0.000 0.000 0.214 293 A C 2.320 179.945 177.584 0.069 0.000 1.192 293 A CA 1.542 53.614 52.037 0.059 0.000 0.611 293 A CB -0.620 18.400 19.000 0.033 0.000 0.832 293 A HN 0.387 nan 8.150 nan 0.000 0.442 294 K N -0.042 120.393 120.400 0.057 0.000 2.127 294 K HA -0.120 4.200 4.320 -0.000 0.000 0.208 294 K C 1.688 178.343 176.600 0.092 0.000 1.047 294 K CA 1.833 58.156 56.287 0.059 0.000 0.927 294 K CB -0.891 31.637 32.500 0.048 0.000 0.716 294 K HN 0.161 nan 8.250 nan 0.000 0.450 295 V N 0.754 120.741 119.914 0.122 0.000 2.287 295 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 295 V C 2.089 178.311 176.094 0.213 0.000 1.053 295 V CA 2.256 64.675 62.300 0.199 0.000 1.027 295 V CB -0.338 31.612 31.823 0.211 0.000 0.646 295 V HN 0.455 nan 8.190 nan 0.000 0.447 296 E N -0.340 119.972 120.200 0.185 0.000 2.106 296 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 296 E C 2.446 179.125 176.600 0.132 0.000 0.984 296 E CA 1.596 58.121 56.400 0.208 0.000 0.806 296 E CB -0.221 29.618 29.700 0.232 0.000 0.750 296 E HN 0.665 nan 8.360 nan 0.000 0.458 297 K N 1.593 122.042 120.400 0.081 0.000 2.097 297 K HA -0.175 4.145 4.320 -0.000 0.000 0.205 297 K C 1.600 178.217 176.600 0.028 0.000 1.050 297 K CA 1.719 58.026 56.287 0.034 0.000 0.938 297 K CB -0.839 31.673 32.500 0.021 0.000 0.718 297 K HN 0.458 nan 8.250 nan 0.000 0.442 298 E N 0.009 120.239 120.200 0.050 0.000 2.489 298 E HA 0.072 4.422 4.350 -0.000 0.000 0.193 298 E C 0.278 176.886 176.600 0.013 0.000 1.057 298 E CA -0.497 55.922 56.400 0.031 0.000 0.866 298 E CB -0.359 29.369 29.700 0.047 0.000 0.916 298 E HN 0.342 nan 8.360 nan 0.000 0.500 299 L N 2.490 123.737 121.223 0.040 0.000 2.477 299 L HA 0.131 4.471 4.340 -0.000 0.000 0.272 299 L C -0.106 176.726 176.870 -0.063 0.000 1.157 299 L CA 0.752 55.590 54.840 -0.004 0.000 0.889 299 L CB 1.137 43.256 42.059 0.099 0.000 1.158 299 L HN 0.180 nan 8.230 nan 0.000 0.473 300 T N 2.831 117.290 114.554 -0.157 0.000 2.864 300 T HA 0.618 4.968 4.350 -0.000 0.000 0.289 300 T C -2.332 172.260 174.700 -0.180 0.000 1.082 300 T CA -1.531 60.487 62.100 -0.136 0.000 1.009 300 T CB 1.941 70.733 68.868 -0.127 0.000 1.234 300 T HN 0.361 nan 8.240 nan 0.000 0.526 301 P HA 0.132 nan 4.420 nan 0.000 0.218 301 P C 1.080 178.277 177.300 -0.172 0.000 1.152 301 P CA 0.655 63.677 63.100 -0.131 0.000 0.826 301 P CB 0.164 31.818 31.700 -0.078 0.000 0.790 302 E N -0.569 119.539 120.200 -0.154 0.000 2.118 302 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 302 E C 1.880 178.345 176.600 -0.226 0.000 0.992 302 E CA 0.831 57.141 56.400 -0.151 0.000 0.804 302 E CB -1.255 28.377 29.700 -0.113 0.000 0.741 302 E HN 0.013 nan 8.360 nan 0.000 0.458 303 V N 0.154 119.869 119.914 -0.332 0.000 3.541 303 V HA 0.022 4.142 4.120 -0.000 0.000 0.267 303 V C 1.565 177.112 176.094 -0.911 0.000 1.213 303 V CA 0.358 62.334 62.300 -0.539 0.000 1.149 303 V CB 0.058 31.555 31.823 -0.543 0.000 0.822 303 V HN 0.211 nan 8.190 nan 0.000 0.462 304 L N 0.189 121.014 121.223 -0.662 0.000 2.240 304 L HA -0.007 4.333 4.340 -0.000 0.000 0.211 304 L C 2.241 178.922 176.870 -0.316 0.000 1.106 304 L CA 2.038 56.528 54.840 -0.583 0.000 0.793 304 L CB -0.507 41.331 42.059 -0.368 0.000 0.927 304 L HN 0.387 nan 8.230 nan 0.000 0.446 305 Q N 0.404 120.046 119.800 -0.263 0.000 2.016 305 Q HA -0.257 4.083 4.340 -0.000 0.000 0.200 305 Q C 2.195 178.142 176.000 -0.089 0.000 0.978 305 Q CA 2.287 58.005 55.803 -0.141 0.000 0.833 305 Q CB -0.378 28.288 28.738 -0.119 0.000 0.895 305 Q HN 0.672 nan 8.270 nan 0.000 0.427 306 E N -1.110 119.012 120.200 -0.131 0.000 2.070 306 E HA -0.211 4.139 4.350 -0.000 0.000 0.197 306 E C 1.470 178.133 176.600 0.106 0.000 1.004 306 E CA 1.498 57.875 56.400 -0.038 0.000 0.805 306 E CB -0.334 29.326 29.700 -0.065 0.000 0.744 306 E HN 0.489 nan 8.360 nan 0.000 0.451 307 W N 0.478 121.747 121.300 -0.051 0.000 2.331 307 W HA -0.151 4.509 4.660 0.000 0.000 0.291 307 W C 2.050 178.532 176.519 -0.061 0.000 1.214 307 W CA 0.831 58.147 57.345 -0.048 0.000 1.228 307 W CB -0.660 28.773 29.460 -0.045 0.000 1.135 307 W HN 0.261 nan 8.180 nan 0.000 0.537 308 L N -1.877 119.437 121.223 0.151 0.000 2.435 308 L HA 0.009 4.349 4.340 -0.000 0.000 0.195 308 L C 2.257 179.148 176.870 0.035 0.000 1.072 308 L CA 0.427 55.306 54.840 0.065 0.000 0.833 308 L CB -1.228 40.844 42.059 0.022 0.000 1.081 308 L HN -0.239 nan 8.230 nan 0.000 0.485 309 D N 1.753 122.165 120.400 0.020 0.000 2.565 309 D HA -0.261 4.379 4.640 -0.000 0.000 0.189 309 D C 0.723 177.031 176.300 0.013 0.000 1.052 309 D CA 2.258 56.265 54.000 0.012 0.000 0.889 309 D CB 0.274 41.075 40.800 0.002 0.000 0.911 309 D HN 0.438 nan 8.370 nan 0.000 0.464 310 E N -0.107 120.100 120.200 0.012 0.000 2.207 310 E HA 0.614 4.964 4.350 -0.000 0.000 0.250 310 E C -0.566 176.026 176.600 -0.014 0.000 0.890 310 E CA -0.403 55.997 56.400 -0.000 0.000 0.749 310 E CB 0.572 30.268 29.700 -0.006 0.000 1.193 310 E HN 0.243 nan 8.360 nan 0.000 0.423 311 L N 1.723 122.941 121.223 -0.009 0.000 2.381 311 L HA 0.616 4.956 4.340 -0.000 0.000 0.268 311 L C -0.119 176.751 176.870 -0.001 0.000 0.997 311 L CA -0.990 53.841 54.840 -0.015 0.000 0.818 311 L CB 2.405 44.470 42.059 0.010 0.000 1.310 311 L HN 0.560 nan 8.230 nan 0.000 0.416 312 E N 1.639 121.841 120.200 0.003 0.000 2.277 312 E HA 0.258 4.608 4.350 -0.000 0.000 0.266 312 E C -1.272 175.375 176.600 0.078 0.000 0.901 312 E CA -0.708 55.712 56.400 0.032 0.000 0.782 312 E CB 3.122 32.837 29.700 0.025 0.000 1.228 312 E HN 0.484 nan 8.360 nan 0.000 0.424 313 E N 3.219 123.458 120.200 0.064 0.000 2.130 313 E HA 0.273 4.623 4.350 -0.000 0.000 0.284 313 E C -0.740 175.909 176.600 0.083 0.000 1.018 313 E CA 0.032 56.474 56.400 0.070 0.000 0.817 313 E CB 0.586 30.302 29.700 0.027 0.000 1.078 313 E HN 0.343 nan 8.360 nan 0.000 0.396 314 M N 2.862 122.533 119.600 0.119 0.000 2.745 314 M HA 0.398 4.878 4.480 -0.000 0.000 0.290 314 M C -0.387 175.956 176.300 0.070 0.000 1.262 314 M CA -1.236 54.122 55.300 0.097 0.000 0.795 314 M CB 1.891 34.578 32.600 0.144 0.000 1.758 314 M HN 0.414 nan 8.290 nan 0.000 0.461 315 M N 3.466 123.087 119.600 0.034 0.000 2.289 315 M HA 0.348 4.828 4.480 -0.000 0.000 0.354 315 M C -1.602 174.683 176.300 -0.026 0.000 1.210 315 M CA -0.683 54.628 55.300 0.019 0.000 1.174 315 M CB -0.339 32.263 32.600 0.004 0.000 1.297 315 M HN 0.439 nan 8.290 nan 0.000 0.423 316 L N 2.688 123.881 121.223 -0.049 0.000 2.346 316 L HA 0.785 5.125 4.340 -0.000 0.000 0.274 316 L C -0.405 176.327 176.870 -0.230 0.000 1.007 316 L CA -1.115 53.615 54.840 -0.182 0.000 0.818 316 L CB 0.545 42.396 42.059 -0.347 0.000 1.284 316 L HN 0.168 nan 8.230 nan 0.000 0.424 317 V N 1.802 121.596 119.914 -0.200 0.000 2.498 317 V HA 0.599 4.719 4.120 -0.000 0.000 0.279 317 V C 0.117 176.100 176.094 -0.186 0.000 1.048 317 V CA -0.615 61.547 62.300 -0.229 0.000 0.967 317 V CB 1.180 32.968 31.823 -0.059 0.000 0.988 317 V HN 0.597 nan 8.190 nan 0.000 0.473 318 V N 4.500 124.237 119.914 -0.296 0.000 2.378 318 V HA 0.408 4.528 4.120 -0.000 0.000 0.288 318 V C -0.255 175.932 176.094 0.155 0.000 1.016 318 V CA -0.559 61.672 62.300 -0.114 0.000 0.840 318 V CB 0.872 32.475 31.823 -0.366 0.000 0.994 318 V HN 0.902 nan 8.190 nan 0.000 0.431 319 H N 6.108 125.213 119.070 0.057 0.000 2.623 319 H HA 0.588 5.144 4.556 0.000 0.000 0.299 319 H C -0.385 174.987 175.328 0.073 0.000 1.052 319 H CA -0.429 55.703 56.048 0.140 0.000 1.231 319 H CB 1.668 31.514 29.762 0.139 0.000 1.389 319 H HN 0.598 nan 8.280 nan 0.000 0.469 320 M N 5.854 125.527 119.600 0.122 0.000 2.457 320 M HA 0.431 4.911 4.480 -0.000 0.000 0.300 320 M C -2.993 173.352 176.300 0.074 0.000 1.141 320 M CA -1.965 53.357 55.300 0.037 0.000 0.901 320 M CB 3.272 35.815 32.600 -0.095 0.000 1.687 320 M HN 0.275 nan 8.290 nan 0.000 0.449 321 P HA 0.410 nan 4.420 nan 0.000 0.278 321 P C -1.387 176.094 177.300 0.302 0.000 1.258 321 P CA -0.295 62.971 63.100 0.276 0.000 0.811 321 P CB 0.722 32.651 31.700 0.382 0.000 1.063 322 R N 1.581 122.209 120.500 0.214 0.000 2.265 322 R HA 0.670 5.010 4.340 -0.000 0.000 0.319 322 R C -0.318 176.113 176.300 0.219 0.000 1.006 322 R CA -0.407 55.781 56.100 0.146 0.000 0.880 322 R CB -0.427 29.907 30.300 0.055 0.000 1.077 322 R HN 0.702 nan 8.270 nan 0.000 0.454 323 F N -1.772 118.164 119.950 -0.024 0.000 2.711 323 F HA 0.858 5.385 4.527 -0.000 0.000 0.313 323 F C -0.488 175.215 175.800 -0.162 0.000 1.141 323 F CA -1.415 56.537 58.000 -0.081 0.000 0.941 323 F CB 1.481 40.432 39.000 -0.082 0.000 1.349 323 F HN 0.509 nan 8.300 nan 0.000 0.464 324 R N 0.741 121.207 120.500 -0.056 0.000 2.795 324 R HA 0.897 5.237 4.340 -0.000 0.000 0.275 324 R C -1.398 174.809 176.300 -0.154 0.000 0.981 324 R CA -0.980 54.955 56.100 -0.276 0.000 0.917 324 R CB 1.947 32.165 30.300 -0.136 0.000 1.202 324 R HN 0.838 nan 8.270 nan 0.000 0.469 325 I N 1.579 121.901 120.570 -0.413 0.000 2.651 325 I HA 0.245 4.415 4.170 -0.000 0.000 0.287 325 I C -0.634 175.428 176.117 -0.091 0.000 1.244 325 I CA -0.462 60.734 61.300 -0.173 0.000 1.061 325 I CB 2.123 40.046 38.000 -0.128 0.000 1.286 325 I HN 0.839 nan 8.210 nan 0.000 0.434 326 E N 5.274 125.632 120.200 0.265 0.000 2.165 326 E HA 0.522 4.872 4.350 -0.000 0.000 0.266 326 E C -1.629 175.198 176.600 0.378 0.000 0.889 326 E CA -0.802 55.925 56.400 0.546 0.000 0.756 326 E CB 2.443 32.573 29.700 0.717 0.000 1.131 326 E HN 0.250 nan 8.360 nan 0.000 0.411 327 D N 2.706 123.368 120.400 0.436 0.000 2.362 327 D HA 0.486 5.126 4.640 -0.000 0.000 0.247 327 D C -0.930 175.688 176.300 0.530 0.000 1.050 327 D CA -0.464 53.820 54.000 0.474 0.000 0.839 327 D CB 2.007 43.155 40.800 0.581 0.000 1.283 327 D HN 0.680 nan 8.370 nan 0.000 0.477 328 G N 1.720 110.858 108.800 0.562 0.000 2.707 328 G HA2 0.649 4.609 3.960 -0.000 0.000 0.299 328 G HA3 0.649 4.609 3.960 -0.000 0.000 0.299 328 G C -1.224 174.089 174.900 0.689 0.000 1.442 328 G CA -0.646 44.733 45.100 0.465 0.000 1.009 328 G HN 0.293 nan 8.290 nan 0.000 0.515 329 F N -0.227 119.904 119.950 0.302 0.000 2.719 329 F HA 0.749 5.275 4.527 -0.000 0.000 0.309 329 F C -0.407 175.556 175.800 0.271 0.000 1.138 329 F CA -1.929 56.236 58.000 0.275 0.000 0.943 329 F CB 1.444 40.575 39.000 0.218 0.000 1.304 329 F HN 0.451 nan 8.300 nan 0.000 0.445 330 S N 1.706 117.577 115.700 0.285 0.000 2.439 330 S HA 0.434 4.904 4.470 -0.000 0.000 0.282 330 S C 0.686 175.322 174.600 0.059 0.000 1.170 330 S CA -0.640 57.533 58.200 -0.045 0.000 1.054 330 S CB 0.189 63.323 63.200 -0.110 0.000 0.956 330 S HN 0.741 nan 8.310 nan 0.000 0.490 331 L N 4.715 125.954 121.223 0.026 0.000 2.217 331 L HA -0.051 4.289 4.340 -0.000 0.000 0.211 331 L C 2.490 179.402 176.870 0.070 0.000 1.107 331 L CA 1.155 56.109 54.840 0.190 0.000 0.783 331 L CB -0.580 41.686 42.059 0.345 0.000 0.919 331 L HN 0.691 nan 8.230 nan 0.000 0.442 332 K N 1.197 121.525 120.400 -0.120 0.000 2.020 332 K HA -0.244 4.076 4.320 -0.000 0.000 0.212 332 K C 2.021 178.543 176.600 -0.130 0.000 1.050 332 K CA 2.171 58.262 56.287 -0.327 0.000 0.929 332 K CB -0.935 31.095 32.500 -0.783 0.000 0.714 332 K HN 0.253 nan 8.250 nan 0.000 0.443 333 E N 1.765 121.901 120.200 -0.106 0.000 2.055 333 E HA -0.325 4.025 4.350 -0.000 0.000 0.209 333 E C 2.077 178.632 176.600 -0.075 0.000 1.036 333 E CA 2.228 58.592 56.400 -0.060 0.000 0.849 333 E CB -1.151 28.533 29.700 -0.027 0.000 0.767 333 E HN 0.651 nan 8.360 nan 0.000 0.461 334 Q N 0.370 120.103 119.800 -0.112 0.000 1.921 334 Q HA -0.074 4.266 4.340 -0.000 0.000 0.208 334 Q C 2.663 178.479 176.000 -0.306 0.000 0.994 334 Q CA 1.554 57.206 55.803 -0.252 0.000 0.857 334 Q CB -1.084 27.408 28.738 -0.410 0.000 0.925 334 Q HN 0.608 nan 8.270 nan 0.000 0.421 335 L N 0.947 122.008 121.223 -0.270 0.000 2.095 335 L HA -0.373 3.967 4.340 -0.000 0.000 0.229 335 L C 2.803 179.597 176.870 -0.126 0.000 1.097 335 L CA 2.085 56.806 54.840 -0.197 0.000 0.813 335 L CB -0.831 41.243 42.059 0.025 0.000 0.907 335 L HN 0.376 nan 8.230 nan 0.000 0.445 336 Q N -0.293 119.525 119.800 0.030 0.000 1.978 336 Q HA -0.291 4.049 4.340 -0.000 0.000 0.211 336 Q C 1.946 177.897 176.000 -0.081 0.000 1.013 336 Q CA 2.213 58.042 55.803 0.044 0.000 0.869 336 Q CB -0.385 28.405 28.738 0.086 0.000 0.953 336 Q HN 0.536 nan 8.270 nan 0.000 0.415 337 D N -0.048 120.274 120.400 -0.129 0.000 2.239 337 D HA -0.196 4.444 4.640 -0.000 0.000 0.202 337 D C 1.562 177.718 176.300 -0.241 0.000 0.993 337 D CA 1.328 55.233 54.000 -0.159 0.000 0.874 337 D CB -0.163 40.540 40.800 -0.162 0.000 0.922 337 D HN 0.367 nan 8.370 nan 0.000 0.464 338 M N -1.082 118.294 119.600 -0.374 0.000 2.618 338 M HA 0.088 4.568 4.480 -0.000 0.000 0.240 338 M C 1.302 177.475 176.300 -0.211 0.000 1.123 338 M CA 0.741 55.805 55.300 -0.393 0.000 1.060 338 M CB 0.670 32.956 32.600 -0.524 0.000 1.535 338 M HN 0.189 nan 8.290 nan 0.000 0.507 339 G N 0.618 109.324 108.800 -0.157 0.000 2.255 339 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.196 339 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.196 339 G C -0.296 174.539 174.900 -0.108 0.000 0.998 339 G CA -0.654 44.379 45.100 -0.111 0.000 0.656 339 G HN 0.285 nan 8.290 nan 0.000 0.490 340 L N 2.612 123.757 121.223 -0.130 0.000 2.295 340 L HA 0.676 5.016 4.340 -0.000 0.000 0.288 340 L C 1.212 178.016 176.870 -0.110 0.000 1.079 340 L CA 0.149 54.903 54.840 -0.144 0.000 0.830 340 L CB 1.299 43.251 42.059 -0.178 0.000 1.200 340 L HN 0.050 nan 8.230 nan 0.000 0.438 341 V N 2.482 122.336 119.914 -0.100 0.000 2.840 341 V HA 0.071 4.191 4.120 -0.000 0.000 0.234 341 V C 1.443 177.500 176.094 -0.062 0.000 1.159 341 V CA 0.554 62.832 62.300 -0.036 0.000 1.194 341 V CB -0.433 31.383 31.823 -0.013 0.000 0.971 341 V HN 0.602 nan 8.190 nan 0.000 0.494 342 D N 1.314 121.670 120.400 -0.073 0.000 2.133 342 D HA -0.213 4.427 4.640 -0.000 0.000 0.195 342 D C 1.897 178.142 176.300 -0.091 0.000 0.997 342 D CA 1.438 55.406 54.000 -0.053 0.000 0.840 342 D CB -0.467 40.311 40.800 -0.037 0.000 0.947 342 D HN 0.302 nan 8.370 nan 0.000 0.452 343 L N -0.429 120.647 121.223 -0.246 0.000 2.270 343 L HA -0.166 4.174 4.340 -0.000 0.000 0.217 343 L C 0.815 177.532 176.870 -0.256 0.000 1.107 343 L CA 1.620 56.250 54.840 -0.349 0.000 0.772 343 L CB -0.315 41.383 42.059 -0.602 0.000 0.902 343 L HN -0.024 nan 8.230 nan 0.000 0.439 344 F N -2.197 117.843 119.950 0.149 0.000 2.706 344 F HA 0.400 4.927 4.527 0.000 0.000 0.313 344 F C 1.076 176.977 175.800 0.168 0.000 1.096 344 F CA -0.532 57.585 58.000 0.194 0.000 1.219 344 F CB -0.570 38.519 39.000 0.148 0.000 1.051 344 F HN -0.042 nan 8.300 nan 0.000 0.568 345 S N 1.677 117.490 115.700 0.188 0.000 2.448 345 S HA 0.350 4.820 4.470 -0.000 0.000 0.320 345 S C -1.754 172.796 174.600 -0.083 0.000 1.071 345 S CA -1.572 56.641 58.200 0.021 0.000 1.113 345 S CB 1.067 64.275 63.200 0.013 0.000 0.972 345 S HN -0.162 nan 8.310 nan 0.000 0.465 346 P HA -0.150 nan 4.420 nan 0.000 0.215 346 P C 1.449 178.664 177.300 -0.140 0.000 1.163 346 P CA 1.786 64.658 63.100 -0.380 0.000 0.894 346 P CB 0.064 31.345 31.700 -0.698 0.000 0.791 347 A N -0.819 121.924 122.820 -0.130 0.000 1.986 347 A HA 0.006 4.326 4.320 -0.000 0.000 0.220 347 A C 1.465 179.028 177.584 -0.034 0.000 1.171 347 A CA 1.813 53.810 52.037 -0.066 0.000 0.640 347 A CB -1.163 17.802 19.000 -0.058 0.000 0.811 347 A HN 0.272 nan 8.150 nan 0.000 0.451 348 A N -0.425 122.379 122.820 -0.027 0.000 2.984 348 A HA 0.594 4.914 4.320 -0.000 0.000 0.320 348 A C 0.311 177.900 177.584 0.007 0.000 1.142 348 A CA 0.305 52.338 52.037 -0.006 0.000 0.772 348 A CB 0.049 19.046 19.000 -0.006 0.000 1.195 348 A HN 0.783 nan 8.150 nan 0.000 0.459 349 S N 0.615 116.329 115.700 0.022 0.000 3.339 349 S HA 0.910 5.380 4.470 -0.000 0.000 0.221 349 S C 0.488 175.104 174.600 0.027 0.000 1.059 349 S CA 0.039 58.262 58.200 0.038 0.000 1.365 349 S CB 1.222 64.473 63.200 0.085 0.000 1.065 349 S HN 2.210 nan 8.310 nan 0.000 0.618 350 A N -0.209 122.630 122.820 0.031 0.000 1.953 350 A HA 0.301 4.621 4.320 -0.000 0.000 0.232 350 A C -0.603 176.992 177.584 0.018 0.000 2.799 350 A CA -0.531 51.521 52.037 0.024 0.000 2.066 350 A CB -1.332 17.682 19.000 0.024 0.000 0.321 350 A HN 0.583 nan 8.150 nan 0.000 0.918 351 L N 1.028 122.260 121.223 0.015 0.000 3.047 351 L HA 0.285 4.625 4.340 -0.000 0.000 0.242 351 L C -1.378 175.481 176.870 -0.019 0.000 1.315 351 L CA -1.224 53.608 54.840 -0.012 0.000 1.042 351 L CB 0.987 43.033 42.059 -0.021 0.000 1.420 351 L HN 0.339 nan 8.230 nan 0.000 0.517 352 P HA -0.019 nan 4.420 nan 0.000 0.247 352 P C 1.199 178.490 177.300 -0.016 0.000 1.225 352 P CA 0.545 63.643 63.100 -0.003 0.000 0.768 352 P CB 0.400 32.105 31.700 0.009 0.000 1.020 353 G N 0.177 108.951 108.800 -0.044 0.000 2.539 353 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.215 353 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.215 353 G C 1.351 176.169 174.900 -0.137 0.000 1.141 353 G CA 0.038 45.104 45.100 -0.057 0.000 0.806 353 G HN 0.247 nan 8.290 nan 0.000 0.533 354 I N 0.523 120.961 120.570 -0.220 0.000 3.860 354 I HA 0.138 4.308 4.170 -0.000 0.000 0.319 354 I C 1.518 177.634 176.117 -0.001 0.000 1.279 354 I CA 0.196 61.324 61.300 -0.287 0.000 1.220 354 I CB 0.526 38.235 38.000 -0.485 0.000 1.027 354 I HN 0.186 nan 8.210 nan 0.000 0.428 355 V N -2.673 117.240 119.914 -0.002 0.000 5.003 355 V HA 0.523 4.643 4.120 -0.000 0.000 0.132 355 V C 0.881 176.973 176.094 -0.004 0.000 1.227 355 V CA 0.021 62.329 62.300 0.012 0.000 1.094 355 V CB -0.243 31.589 31.823 0.015 0.000 1.358 355 V HN 0.075 nan 8.190 nan 0.000 0.637 356 A N 0.575 123.394 122.820 -0.001 0.000 2.183 356 A HA 0.250 4.570 4.320 -0.000 0.000 0.278 356 A C 0.685 178.267 177.584 -0.004 0.000 1.404 356 A CA 2.725 54.763 52.037 0.001 0.000 0.737 356 A CB -2.067 16.935 19.000 0.003 0.000 1.172 356 A HN 2.437 nan 8.150 nan 0.000 0.338 357 E N -1.056 119.141 120.200 -0.006 0.000 2.321 357 E HA 0.367 4.717 4.350 -0.000 0.000 0.256 357 E C 2.534 179.129 176.600 -0.008 0.000 1.101 357 E CA 1.375 57.769 56.400 -0.011 0.000 1.790 357 E CB -1.361 28.325 29.700 -0.025 0.000 3.331 357 E HN 2.195 nan 8.360 nan 0.000 1.027 358 G N 0.613 109.408 108.800 -0.008 0.000 2.863 358 G HA2 0.128 4.088 3.960 -0.000 0.000 0.217 358 G HA3 0.128 4.088 3.960 -0.000 0.000 0.217 358 G C 1.559 176.463 174.900 0.007 0.000 1.315 358 G CA 3.668 48.769 45.100 0.001 0.000 0.796 358 G HN 1.784 nan 8.290 nan 0.000 0.669 359 R N -2.182 118.327 120.500 0.014 0.000 2.632 359 R HA 0.519 4.859 4.340 -0.000 0.000 0.045 359 R C 0.754 177.063 176.300 0.016 0.000 0.518 359 R CA 1.564 57.671 56.100 0.012 0.000 0.757 359 R CB -1.815 28.490 30.300 0.009 0.000 0.810 359 R HN 2.393 nan 8.270 nan 0.000 0.613 360 D N -0.558 119.856 120.400 0.024 0.000 2.846 360 D HA -0.135 4.505 4.640 -0.000 0.000 0.231 360 D C 0.089 176.416 176.300 0.045 0.000 1.102 360 D CA 0.787 54.805 54.000 0.030 0.000 0.744 360 D CB -1.991 38.819 40.800 0.016 0.000 1.092 360 D HN 0.651 nan 8.370 nan 0.000 0.437 361 D N -0.900 119.538 120.400 0.063 0.000 2.388 361 D HA 0.338 4.978 4.640 -0.000 0.000 0.221 361 D C 0.121 176.531 176.300 0.184 0.000 1.133 361 D CA 0.010 54.070 54.000 0.099 0.000 0.831 361 D CB 0.477 41.320 40.800 0.072 0.000 0.962 361 D HN 0.633 nan 8.370 nan 0.000 0.502 362 L N 1.639 122.973 121.223 0.185 0.000 2.356 362 L HA 0.358 4.698 4.340 -0.000 0.000 0.277 362 L C -1.210 175.836 176.870 0.293 0.000 0.996 362 L CA -0.675 54.292 54.840 0.213 0.000 0.822 362 L CB 0.961 43.087 42.059 0.111 0.000 1.256 362 L HN -0.088 nan 8.230 nan 0.000 0.413 363 Y N 2.894 123.228 120.300 0.057 0.000 2.896 363 Y HA 0.832 5.382 4.550 0.000 0.000 0.317 363 Y C -1.590 174.371 175.900 0.102 0.000 1.444 363 Y CA -1.666 56.480 58.100 0.076 0.000 1.084 363 Y CB 0.812 39.325 38.460 0.088 0.000 1.382 363 Y HN 0.147 nan 8.280 nan 0.000 0.471 364 V N 1.541 121.529 119.914 0.124 0.000 2.384 364 V HA 0.323 4.443 4.120 -0.000 0.000 0.287 364 V C 0.197 176.304 176.094 0.023 0.000 1.020 364 V CA -0.132 62.195 62.300 0.045 0.000 0.850 364 V CB 0.997 33.064 31.823 0.407 0.000 0.987 364 V HN 0.974 nan 8.190 nan 0.000 0.436 365 S N 2.375 117.919 115.700 -0.261 0.000 2.406 365 S HA 0.086 4.556 4.470 -0.000 0.000 0.224 365 S C 0.366 174.852 174.600 -0.190 0.000 1.030 365 S CA 0.738 58.864 58.200 -0.123 0.000 0.958 365 S CB 0.012 63.102 63.200 -0.183 0.000 0.811 365 S HN 0.888 nan 8.310 nan 0.000 0.489 366 D N -1.615 118.621 120.400 -0.272 0.000 2.694 366 D HA 0.525 5.165 4.640 -0.000 0.000 0.260 366 D C -1.672 174.358 176.300 -0.451 0.000 1.250 366 D CA -0.325 53.399 54.000 -0.459 0.000 0.763 366 D CB 2.019 42.491 40.800 -0.548 0.000 1.311 366 D HN 0.131 nan 8.370 nan 0.000 0.420 367 A N 1.322 123.813 122.820 -0.548 0.000 2.335 367 A HA 0.687 5.007 4.320 -0.000 0.000 0.304 367 A C -1.474 175.841 177.584 -0.448 0.000 1.118 367 A CA -0.488 51.377 52.037 -0.287 0.000 0.757 367 A CB 0.354 19.397 19.000 0.071 0.000 1.188 367 A HN 0.274 nan 8.150 nan 0.000 0.460 368 F N 1.763 121.764 119.950 0.086 0.000 2.402 368 F HA 0.421 4.948 4.527 0.000 0.000 0.355 368 F C 0.290 176.141 175.800 0.085 0.000 1.123 368 F CA -0.155 57.886 58.000 0.068 0.000 1.021 368 F CB 1.568 40.608 39.000 0.065 0.000 1.160 368 F HN 0.726 nan 8.300 nan 0.000 0.451 369 H N 2.826 121.885 119.070 -0.019 0.000 2.481 369 H HA 0.543 5.099 4.556 0.000 0.000 0.333 369 H C -1.130 174.122 175.328 -0.127 0.000 1.066 369 H CA -0.909 55.062 56.048 -0.129 0.000 1.209 369 H CB 1.226 30.768 29.762 -0.367 0.000 1.445 369 H HN 0.423 nan 8.280 nan 0.000 0.488 370 K N 3.937 124.149 120.400 -0.313 0.000 2.535 370 K HA 0.695 5.015 4.320 -0.000 0.000 0.253 370 K C -1.731 174.825 176.600 -0.074 0.000 0.953 370 K CA -0.471 55.769 56.287 -0.078 0.000 0.863 370 K CB 0.927 33.466 32.500 0.065 0.000 1.111 370 K HN 0.634 nan 8.250 nan 0.000 0.431 371 A N 3.876 126.751 122.820 0.092 0.000 2.355 371 A HA 0.843 5.163 4.320 -0.000 0.000 0.324 371 A C -1.617 176.317 177.584 0.584 0.000 1.117 371 A CA -0.671 51.545 52.037 0.298 0.000 0.785 371 A CB 0.587 19.736 19.000 0.248 0.000 1.254 371 A HN 0.698 nan 8.150 nan 0.000 0.453 372 F N 1.656 121.856 119.950 0.418 0.000 2.588 372 F HA 0.601 5.128 4.527 -0.000 0.000 0.318 372 F C -1.561 174.190 175.800 -0.083 0.000 1.155 372 F CA -0.769 57.366 58.000 0.224 0.000 0.967 372 F CB 1.718 40.858 39.000 0.233 0.000 1.236 372 F HN 0.591 nan 8.300 nan 0.000 0.455 373 L N 5.186 125.755 121.223 -1.091 0.000 2.365 373 L HA 0.679 5.019 4.340 -0.000 0.000 0.273 373 L C -1.369 174.795 176.870 -1.178 0.000 1.000 373 L CA -0.255 53.837 54.840 -1.247 0.000 0.819 373 L CB 1.827 42.759 42.059 -1.879 0.000 1.284 373 L HN 0.690 nan 8.230 nan 0.000 0.418 374 E N 2.916 122.587 120.200 -0.881 0.000 2.238 374 E HA 0.741 5.091 4.350 -0.000 0.000 0.267 374 E C -1.869 174.353 176.600 -0.631 0.000 0.887 374 E CA -0.576 55.432 56.400 -0.653 0.000 0.769 374 E CB 1.980 31.480 29.700 -0.334 0.000 1.187 374 E HN 0.394 nan 8.360 nan 0.000 0.416 375 V N 5.910 125.446 119.914 -0.630 0.000 2.675 375 V HA 0.312 4.432 4.120 -0.000 0.000 0.266 375 V C -0.760 175.160 176.094 -0.289 0.000 0.974 375 V CA -0.925 61.054 62.300 -0.536 0.000 0.890 375 V CB 0.670 31.991 31.823 -0.836 0.000 1.055 375 V HN 0.788 nan 8.190 nan 0.000 0.477 376 N N 2.346 120.929 118.700 -0.195 0.000 2.741 376 N HA 0.396 5.136 4.740 -0.000 0.000 0.310 376 N C 0.656 176.199 175.510 0.055 0.000 1.295 376 N CA -0.700 52.311 53.050 -0.064 0.000 0.893 376 N CB 1.463 39.914 38.487 -0.060 0.000 1.247 376 N HN 0.260 nan 8.380 nan 0.000 0.596 377 E N -0.005 120.270 120.200 0.124 0.000 2.204 377 E HA -0.079 4.271 4.350 -0.000 0.000 0.195 377 E C -0.253 176.589 176.600 0.404 0.000 0.990 377 E CA 0.797 57.383 56.400 0.309 0.000 0.821 377 E CB -0.130 29.726 29.700 0.259 0.000 0.750 377 E HN 0.560 nan 8.360 nan 0.000 0.477 378 E N 0.058 120.349 120.200 0.151 0.000 2.641 378 E HA 0.121 4.471 4.350 -0.000 0.000 0.272 378 E C 0.280 176.930 176.600 0.084 0.000 0.990 378 E CA 1.017 57.467 56.400 0.083 0.000 0.971 378 E CB 0.317 29.993 29.700 -0.040 0.000 0.967 378 E HN 0.277 nan 8.360 nan 0.000 0.464 379 G N 0.108 108.991 108.800 0.138 0.000 2.339 379 G HA2 0.353 4.313 3.960 -0.000 0.000 0.302 379 G HA3 0.353 4.313 3.960 -0.000 0.000 0.302 379 G C -1.259 173.748 174.900 0.177 0.000 1.425 379 G CA -0.003 45.221 45.100 0.207 0.000 0.899 379 G HN 0.558 nan 8.290 nan 0.000 0.619 380 S N -1.963 113.830 115.700 0.155 0.000 2.710 380 S HA 0.748 5.218 4.470 -0.000 0.000 0.274 380 S C 0.202 174.849 174.600 0.079 0.000 1.029 380 S CA 1.324 59.586 58.200 0.103 0.000 0.864 380 S CB 0.703 63.944 63.200 0.068 0.000 1.103 380 S HN 2.374 nan 8.310 nan 0.000 0.460 381 E N 0.323 120.556 120.200 0.055 0.000 2.756 381 E HA 0.665 5.015 4.350 -0.000 0.000 0.218 381 E C 0.957 177.572 176.600 0.026 0.000 1.042 381 E CA 1.248 57.671 56.400 0.038 0.000 1.713 381 E CB -0.840 28.880 29.700 0.032 0.000 2.443 381 E HN 2.422 nan 8.360 nan 0.000 1.080 382 A N -0.307 122.528 122.820 0.025 0.000 2.816 382 A HA -0.028 4.292 4.320 -0.000 0.000 0.270 382 A C 2.356 179.946 177.584 0.010 0.000 1.413 382 A CA 2.180 54.228 52.037 0.018 0.000 0.866 382 A CB -2.697 16.316 19.000 0.021 0.000 1.032 382 A HN 2.156 nan 8.150 nan 0.000 0.642 383 A N -1.453 121.371 122.820 0.006 0.000 1.883 383 A HA 0.245 4.565 4.320 -0.000 0.000 0.269 383 A C 1.771 179.356 177.584 0.002 0.000 2.559 383 A CA 3.803 55.842 52.037 0.002 0.000 0.908 383 A CB -0.886 18.111 19.000 -0.005 0.000 0.807 383 A HN 2.945 nan 8.150 nan 0.000 0.505 384 A N -4.428 118.392 122.820 -0.001 0.000 2.375 384 A HA 0.537 4.857 4.320 -0.000 0.000 0.299 384 A C 0.352 177.935 177.584 -0.002 0.000 1.044 384 A CA 0.634 52.671 52.037 0.000 0.000 0.585 384 A CB -0.745 18.255 19.000 -0.000 0.000 1.438 384 A HN 1.796 nan 8.150 nan 0.000 0.574 385 S N -0.498 115.201 115.700 -0.001 0.000 2.699 385 S HA 0.429 4.899 4.470 -0.000 0.000 0.251 385 S C 1.130 175.728 174.600 -0.004 0.000 1.179 385 S CA 1.086 59.285 58.200 -0.002 0.000 1.200 385 S CB -0.935 62.265 63.200 0.000 0.000 0.848 385 S HN 2.171 nan 8.310 nan 0.000 0.472 386 T N 0.239 114.790 114.554 -0.006 0.000 3.263 386 T HA 0.346 4.696 4.350 -0.000 0.000 0.269 386 T C 0.650 175.346 174.700 -0.008 0.000 1.207 386 T CA 1.098 63.194 62.100 -0.007 0.000 1.037 386 T CB -0.617 68.245 68.868 -0.009 0.000 0.864 386 T HN 1.055 nan 8.240 nan 0.000 0.587 387 A N -0.138 122.677 122.820 -0.007 0.000 2.476 387 A HA 0.706 5.026 4.320 -0.000 0.000 0.280 387 A C -0.300 177.281 177.584 -0.005 0.000 1.081 387 A CA 0.097 52.130 52.037 -0.007 0.000 0.753 387 A CB 0.851 19.845 19.000 -0.010 0.000 1.248 387 A HN 1.140 nan 8.150 nan 0.000 0.424 388 V N 2.503 122.414 119.914 -0.004 0.000 2.361 388 V HA 0.621 4.741 4.120 -0.000 0.000 0.252 388 V C -0.350 175.743 176.094 -0.002 0.000 0.986 388 V CA -0.303 61.996 62.300 -0.002 0.000 1.033 388 V CB 0.350 32.172 31.823 -0.001 0.000 1.282 388 V HN 0.660 nan 8.190 nan 0.000 0.514 389 V N 1.970 121.883 119.914 -0.002 0.000 3.139 389 V HA 0.556 4.676 4.120 -0.000 0.000 0.310 389 V C 0.373 176.466 176.094 -0.001 0.000 1.260 389 V CA -1.185 61.114 62.300 -0.002 0.000 1.064 389 V CB 2.127 33.949 31.823 -0.003 0.000 1.160 389 V HN 0.470 nan 8.190 nan 0.000 0.470 390 I N 1.984 122.554 120.570 -0.001 0.000 2.662 390 I HA 0.166 4.336 4.170 -0.000 0.000 0.285 390 I C 0.645 176.762 176.117 -0.000 0.000 1.161 390 I CA 0.357 61.657 61.300 -0.000 0.000 1.415 390 I CB 0.857 38.858 38.000 0.000 0.000 1.385 390 I HN 0.746 nan 8.210 nan 0.000 0.552 391 A N 7.040 129.860 122.820 0.000 0.000 2.774 391 A HA 0.485 4.805 4.320 -0.000 0.000 0.326 391 A C 0.780 178.365 177.584 0.002 0.000 1.478 391 A CA -0.429 51.608 52.037 0.001 0.000 1.099 391 A CB -0.425 18.576 19.000 0.001 0.000 1.148 391 A HN 0.867 nan 8.150 nan 0.000 0.519 392 G N 0.751 109.551 108.800 0.001 0.000 2.368 392 G HA2 0.205 4.165 3.960 -0.000 0.000 0.233 392 G HA3 0.205 4.165 3.960 -0.000 0.000 0.233 392 G C 0.474 175.376 174.900 0.004 0.000 1.267 392 G CA -0.278 44.823 45.100 0.002 0.000 0.873 392 G HN 0.662 nan 8.290 nan 0.000 0.539 393 R N 0.302 120.804 120.500 0.004 0.000 2.568 393 R HA 0.225 4.565 4.340 -0.000 0.000 0.288 393 R C 0.978 177.283 176.300 0.007 0.000 1.077 393 R CA 0.090 56.194 56.100 0.006 0.000 1.102 393 R CB 0.150 30.454 30.300 0.006 0.000 1.278 393 R HN 0.599 nan 8.270 nan 0.000 0.560 394 S N -1.841 113.863 115.700 0.006 0.000 2.747 394 S HA 0.582 5.052 4.470 -0.000 0.000 0.300 394 S C 0.007 174.612 174.600 0.009 0.000 1.121 394 S CA -0.905 57.299 58.200 0.007 0.000 0.995 394 S CB 1.564 64.767 63.200 0.005 0.000 1.113 394 S HN 0.068 nan 8.310 nan 0.000 0.547 395 L N 0.918 122.147 121.223 0.010 0.000 2.335 395 L HA 0.493 4.833 4.340 -0.000 0.000 0.268 395 L C 0.461 177.335 176.870 0.007 0.000 1.016 395 L CA -1.079 53.767 54.840 0.011 0.000 0.805 395 L CB 0.796 42.865 42.059 0.016 0.000 1.311 395 L HN 0.737 nan 8.230 nan 0.000 0.456 396 N N 1.377 120.080 118.700 0.005 0.000 2.399 396 N HA 0.062 4.802 4.740 -0.000 0.000 0.259 396 N C -1.961 173.551 175.510 0.004 0.000 1.160 396 N CA -1.247 51.804 53.050 0.003 0.000 0.946 396 N CB 1.348 39.835 38.487 0.001 0.000 1.156 396 N HN 0.248 nan 8.380 nan 0.000 0.489 397 P HA -0.156 nan 4.420 nan 0.000 0.219 397 P C -0.146 177.158 177.300 0.007 0.000 1.149 397 P CA 1.336 64.440 63.100 0.006 0.000 0.835 397 P CB 0.193 31.896 31.700 0.006 0.000 0.778 398 N N -0.960 117.745 118.700 0.008 0.000 2.380 398 N HA 0.097 4.837 4.740 -0.000 0.000 0.255 398 N C 0.028 175.541 175.510 0.005 0.000 1.158 398 N CA -0.082 52.974 53.050 0.012 0.000 0.878 398 N CB 0.065 38.564 38.487 0.020 0.000 1.138 398 N HN 0.233 nan 8.380 nan 0.000 0.509 399 R N 0.211 120.709 120.500 -0.005 0.000 2.698 399 R HA 0.281 4.621 4.340 -0.000 0.000 0.266 399 R C -0.132 176.143 176.300 -0.042 0.000 1.026 399 R CA 0.211 56.297 56.100 -0.023 0.000 1.102 399 R CB 0.721 31.012 30.300 -0.016 0.000 0.978 399 R HN -0.143 nan 8.270 nan 0.000 0.436 400 V N 1.420 121.277 119.914 -0.094 0.000 2.841 400 V HA 0.330 4.450 4.120 -0.000 0.000 0.310 400 V C -0.380 175.590 176.094 -0.207 0.000 1.090 400 V CA -0.782 61.422 62.300 -0.159 0.000 0.930 400 V CB 2.603 34.259 31.823 -0.277 0.000 1.014 400 V HN 0.839 nan 8.190 nan 0.000 0.425 401 T N 3.479 117.918 114.554 -0.192 0.000 2.885 401 T HA 0.626 4.976 4.350 -0.000 0.000 0.285 401 T C -1.105 173.488 174.700 -0.179 0.000 1.019 401 T CA -0.250 61.749 62.100 -0.169 0.000 1.010 401 T CB 1.645 70.427 68.868 -0.142 0.000 1.022 401 T HN 0.469 nan 8.240 nan 0.000 0.466 402 F N 2.059 121.822 119.950 -0.312 0.000 2.691 402 F HA 0.514 5.041 4.527 -0.000 0.000 0.371 402 F C 0.105 175.750 175.800 -0.258 0.000 1.159 402 F CA -0.882 56.940 58.000 -0.297 0.000 1.174 402 F CB 0.150 38.947 39.000 -0.338 0.000 1.419 402 F HN 0.573 nan 8.300 nan 0.000 0.514 403 K N 3.487 123.686 120.400 -0.335 0.000 2.229 403 K HA 0.727 5.047 4.320 -0.000 0.000 0.247 403 K C 0.340 176.764 176.600 -0.294 0.000 1.117 403 K CA 0.017 56.114 56.287 -0.317 0.000 1.036 403 K CB 0.298 32.421 32.500 -0.628 0.000 1.654 403 K HN 0.772 nan 8.250 nan 0.000 0.405 404 A N 2.874 125.582 122.820 -0.186 0.000 2.900 404 A HA 0.095 4.415 4.320 -0.000 0.000 0.246 404 A C 0.693 178.208 177.584 -0.115 0.000 1.725 404 A CA 0.120 52.006 52.037 -0.252 0.000 1.400 404 A CB -0.880 17.899 19.000 -0.369 0.000 0.973 404 A HN 0.795 nan 8.150 nan 0.000 0.635 405 N N 1.122 119.664 118.700 -0.263 0.000 2.758 405 N HA 0.140 4.880 4.740 -0.000 0.000 0.293 405 N C -0.134 174.685 175.510 -1.151 0.000 1.273 405 N CA -0.304 52.442 53.050 -0.508 0.000 1.022 405 N CB -0.386 37.991 38.487 -0.183 0.000 1.334 405 N HN 0.753 nan 8.380 nan 0.000 0.519 406 R N -2.975 116.897 120.500 -1.046 0.000 2.828 406 R HA 0.342 4.682 4.340 -0.000 0.000 0.280 406 R C -3.302 173.054 176.300 0.094 0.000 1.020 406 R CA -1.165 54.537 56.100 -0.663 0.000 0.855 406 R CB -0.490 29.622 30.300 -0.313 0.000 1.278 406 R HN -0.205 nan 8.270 nan 0.000 0.495 407 P HA -0.161 nan 4.420 nan 0.000 0.247 407 P C -1.308 176.085 177.300 0.154 0.000 1.103 407 P CA 1.124 64.312 63.100 0.147 0.000 0.797 407 P CB -0.364 31.387 31.700 0.086 0.000 0.710 408 F N 1.710 121.688 119.950 0.047 0.000 2.601 408 F HA 0.593 5.119 4.527 -0.000 0.000 0.309 408 F C -1.034 174.758 175.800 -0.014 0.000 1.089 408 F CA -1.660 56.345 58.000 0.008 0.000 0.940 408 F CB 0.913 39.939 39.000 0.043 0.000 1.273 408 F HN -0.108 nan 8.300 nan 0.000 0.450 409 L N 2.417 123.731 121.223 0.152 0.000 2.468 409 L HA 0.729 5.069 4.340 -0.000 0.000 0.254 409 L C -0.459 176.477 176.870 0.109 0.000 1.171 409 L CA -1.202 53.625 54.840 -0.021 0.000 0.809 409 L CB 1.400 43.376 42.059 -0.138 0.000 1.155 409 L HN 0.596 nan 8.230 nan 0.000 0.473 410 V N 0.460 120.307 119.914 -0.113 0.000 2.789 410 V HA 0.526 4.646 4.120 -0.000 0.000 0.311 410 V C -1.078 174.928 176.094 -0.146 0.000 1.073 410 V CA -0.571 61.774 62.300 0.075 0.000 0.921 410 V CB 2.110 34.069 31.823 0.227 0.000 1.009 410 V HN 0.380 nan 8.190 nan 0.000 0.426 411 F N 3.347 123.431 119.950 0.223 0.000 2.581 411 F HA 0.674 5.201 4.527 -0.000 0.000 0.311 411 F C -0.362 175.558 175.800 0.201 0.000 1.113 411 F CA -0.597 57.517 58.000 0.190 0.000 0.935 411 F CB 2.020 41.112 39.000 0.153 0.000 1.232 411 F HN 0.199 nan 8.300 nan 0.000 0.445 412 I N 4.497 125.324 120.570 0.429 0.000 2.468 412 I HA 0.486 4.656 4.170 -0.000 0.000 0.284 412 I C -0.678 175.600 176.117 0.269 0.000 1.038 412 I CA -0.583 60.918 61.300 0.335 0.000 1.083 412 I CB 1.714 39.933 38.000 0.366 0.000 1.223 412 I HN 0.667 nan 8.210 nan 0.000 0.443 413 R N 4.292 124.922 120.500 0.216 0.000 2.950 413 R HA 0.640 4.980 4.340 -0.000 0.000 0.253 413 R C -0.873 175.524 176.300 0.161 0.000 1.168 413 R CA -0.900 55.296 56.100 0.159 0.000 1.014 413 R CB 1.871 32.238 30.300 0.111 0.000 1.228 413 R HN 0.315 nan 8.270 nan 0.000 0.487 414 E N 0.641 120.920 120.200 0.132 0.000 2.204 414 E HA 0.144 4.494 4.350 -0.000 0.000 0.276 414 E C 0.115 176.785 176.600 0.116 0.000 0.974 414 E CA -0.543 55.939 56.400 0.137 0.000 0.815 414 E CB 2.270 32.048 29.700 0.129 0.000 1.119 414 E HN 0.466 nan 8.360 nan 0.000 0.393 415 V N 5.725 125.709 119.914 0.117 0.000 2.239 415 V HA -0.115 4.005 4.120 -0.000 0.000 0.242 415 V C -1.168 174.985 176.094 0.098 0.000 1.038 415 V CA 1.617 63.975 62.300 0.098 0.000 1.002 415 V CB -0.918 30.960 31.823 0.092 0.000 0.641 415 V HN 0.630 nan 8.190 nan 0.000 0.449 416 P HA -0.135 nan 4.420 nan 0.000 0.210 416 P C 1.850 179.242 177.300 0.153 0.000 1.191 416 P CA 1.131 64.299 63.100 0.115 0.000 0.917 416 P CB -0.181 31.583 31.700 0.107 0.000 0.778 417 L N -0.784 120.538 121.223 0.165 0.000 2.187 417 L HA -0.116 4.224 4.340 -0.000 0.000 0.213 417 L C 0.451 177.397 176.870 0.127 0.000 1.100 417 L CA 1.707 56.667 54.840 0.200 0.000 0.765 417 L CB -1.646 40.515 42.059 0.170 0.000 0.904 417 L HN 0.097 nan 8.230 nan 0.000 0.437 418 N N -1.322 117.437 118.700 0.098 0.000 2.776 418 N HA -0.177 4.563 4.740 -0.000 0.000 0.249 418 N C -0.491 175.034 175.510 0.026 0.000 1.111 418 N CA 0.972 54.054 53.050 0.054 0.000 0.711 418 N CB -1.536 36.973 38.487 0.036 0.000 1.065 418 N HN 0.409 nan 8.380 nan 0.000 0.556 419 T N 0.894 115.480 114.554 0.053 0.000 2.907 419 T HA 0.319 4.669 4.350 -0.000 0.000 0.298 419 T C 1.082 175.821 174.700 0.065 0.000 1.017 419 T CA -0.102 62.030 62.100 0.053 0.000 1.118 419 T CB 0.755 69.671 68.868 0.079 0.000 0.948 419 T HN 0.196 nan 8.240 nan 0.000 0.531 420 I N 4.180 124.791 120.570 0.067 0.000 2.224 420 I HA 0.161 4.331 4.170 -0.000 0.000 0.293 420 I C 1.407 177.562 176.117 0.063 0.000 1.155 420 I CA -0.175 61.187 61.300 0.103 0.000 1.297 420 I CB -0.238 37.845 38.000 0.139 0.000 1.487 420 I HN 0.702 nan 8.210 nan 0.000 0.564 421 I N 3.541 124.123 120.570 0.019 0.000 2.039 421 I HA -0.230 3.940 4.170 -0.000 0.000 0.233 421 I C 0.450 176.346 176.117 -0.367 0.000 1.040 421 I CA 1.836 63.018 61.300 -0.197 0.000 1.308 421 I CB -0.124 37.756 38.000 -0.201 0.000 1.035 421 I HN 0.233 nan 8.210 nan 0.000 0.392 422 F N -0.146 119.825 119.950 0.034 0.000 2.492 422 F HA 0.543 5.070 4.527 0.000 0.000 0.327 422 F C 0.151 175.978 175.800 0.045 0.000 1.079 422 F CA -0.556 57.419 58.000 -0.042 0.000 0.967 422 F CB 1.481 40.436 39.000 -0.076 0.000 1.169 422 F HN -0.087 nan 8.300 nan 0.000 0.472 423 M N 1.588 121.279 119.600 0.152 0.000 2.602 423 M HA 0.862 5.342 4.480 -0.000 0.000 0.312 423 M C -0.596 175.747 176.300 0.072 0.000 1.181 423 M CA -0.137 55.187 55.300 0.040 0.000 0.910 423 M CB 2.393 35.014 32.600 0.036 0.000 1.723 423 M HN 0.756 nan 8.290 nan 0.000 0.459 424 G N 2.277 111.076 108.800 -0.002 0.000 2.356 424 G HA2 0.416 4.376 3.960 -0.000 0.000 0.294 424 G HA3 0.416 4.376 3.960 -0.000 0.000 0.294 424 G C -2.462 172.478 174.900 0.067 0.000 1.423 424 G CA -0.863 44.383 45.100 0.243 0.000 0.806 424 G HN 0.790 nan 8.290 nan 0.000 0.527 425 R N -0.164 120.393 120.500 0.095 0.000 2.604 425 R HA 0.603 4.943 4.340 -0.000 0.000 0.281 425 R C -1.731 174.403 176.300 -0.277 0.000 1.020 425 R CA -0.592 55.459 56.100 -0.082 0.000 0.899 425 R CB 2.293 32.624 30.300 0.051 0.000 1.205 425 R HN 0.455 nan 8.270 nan 0.000 0.450 426 V N 4.464 123.989 119.914 -0.647 0.000 2.294 426 V HA 0.366 4.486 4.120 -0.000 0.000 0.272 426 V C 0.688 176.385 176.094 -0.662 0.000 1.027 426 V CA 0.130 61.873 62.300 -0.928 0.000 0.823 426 V CB 0.724 31.460 31.823 -1.811 0.000 1.030 426 V HN 0.968 nan 8.190 nan 0.000 0.457 427 A N 4.654 127.229 122.820 -0.408 0.000 1.938 427 A HA 0.234 4.554 4.320 -0.000 0.000 0.207 427 A C 0.975 178.374 177.584 -0.308 0.000 1.292 427 A CA 0.356 52.245 52.037 -0.247 0.000 0.700 427 A CB 0.019 18.931 19.000 -0.146 0.000 0.947 427 A HN 0.673 nan 8.150 nan 0.000 0.476 428 N N 0.128 118.631 118.700 -0.328 0.000 2.518 428 N HA 0.375 5.115 4.740 -0.000 0.000 0.254 428 N C -1.970 173.304 175.510 -0.393 0.000 0.979 428 N CA -1.729 51.112 53.050 -0.348 0.000 0.930 428 N CB 2.201 40.575 38.487 -0.188 0.000 1.152 428 N HN 0.024 nan 8.380 nan 0.000 0.505 429 P HA 0.057 nan 4.420 nan 0.000 0.212 429 P C 0.188 177.370 177.300 -0.196 0.000 1.163 429 P CA 0.163 63.033 63.100 -0.383 0.000 0.892 429 P CB -0.382 31.000 31.700 -0.530 0.000 0.766 430 c N 0.731 119.207 118.600 -0.205 0.000 2.833 430 c HA 0.337 4.907 4.570 -0.000 0.000 0.394 430 c C 0.980 175.032 174.090 -0.062 0.000 1.229 430 c CA -0.575 55.701 56.329 -0.089 0.000 1.826 430 c CB -1.413 41.053 42.510 -0.074 0.000 2.659 430 c HN 0.402 nan 8.230 nan 0.000 0.675 431 V N 0.000 119.897 119.914 -0.029 0.000 2.409 431 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 431 V CA 0.000 62.290 62.300 -0.016 0.000 1.235 431 V CB 0.000 31.813 31.823 -0.017 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556