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 2dfk_1_C DATA FIRST_RESID 45 DATA SEQUENCE QNRDQMRANV INEIMSTERH YIKHLKDICE GYLKQCRKRR DMFSDEQLKV DATA SEQUENCE IFGNIEDIYR FQMGFVRDLE KQYNNDDPHL SEIGPCFLEH QDGFWIYSEY DATA SEQUENCE CNNHLDACME LSKLMKDSRY QHFFEACRLL QQMIDIAIDG FLLTPVQKIC DATA SEQUENCE KYPLQLAELL KYTAQDHSDY RYVAAALAVM RNVTQQINER KRRLENIDKI DATA SEQUENCE AQWQASVLDW EGDDILDRSS ELIYTGEMAW IYQPYGRNQQ RVFFLFDHQM DATA SEQUENCE VLCKKDLIRR DILYYKGRID MDKYEVIDIE DGRDDDFNVS MKNAFKLHNK DATA SEQUENCE ETEEVHLFFA KKLEEKIRWL RAFREERKMV QEDEKIGFEI SENQKRQAAM DATA SEQUENCE TVR 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 45 Q HA 0.000 nan 4.340 nan 0.000 0.214 45 Q C 0.000 175.968 176.000 -0.053 0.000 1.003 45 Q CA 0.000 55.774 55.803 -0.049 0.000 1.022 45 Q CB 0.000 28.699 28.738 -0.066 0.000 1.108 46 N N 1.608 120.276 118.700 -0.053 0.000 2.327 46 N HA 0.162 4.902 4.740 -0.001 0.000 0.257 46 N C 0.753 176.228 175.510 -0.059 0.000 1.281 46 N CA -0.104 52.921 53.050 -0.041 0.000 0.942 46 N CB 0.846 39.311 38.487 -0.036 0.000 1.199 46 N HN 0.786 nan 8.380 nan 0.000 0.532 47 R N -0.080 120.419 120.500 -0.003 0.000 2.091 47 R HA -0.163 4.176 4.340 -0.001 0.000 0.238 47 R C 0.568 176.885 176.300 0.028 0.000 1.136 47 R CA 2.036 58.173 56.100 0.061 0.000 0.959 47 R CB -0.292 30.093 30.300 0.141 0.000 0.856 47 R HN 0.570 nan 8.270 nan 0.000 0.437 48 D N 0.157 120.545 120.400 -0.021 0.000 2.117 48 D HA -0.167 4.473 4.640 -0.001 0.000 0.198 48 D C 1.890 178.130 176.300 -0.100 0.000 0.982 48 D CA 1.102 55.048 54.000 -0.090 0.000 0.828 48 D CB -0.301 40.250 40.800 -0.414 0.000 0.967 48 D HN 0.251 nan 8.370 nan 0.000 0.464 49 Q N -0.318 119.410 119.800 -0.119 0.000 2.170 49 Q HA -0.065 4.275 4.340 -0.001 0.000 0.203 49 Q C 1.802 177.730 176.000 -0.121 0.000 0.976 49 Q CA 1.090 56.835 55.803 -0.097 0.000 0.858 49 Q CB -0.097 28.588 28.738 -0.088 0.000 0.907 49 Q HN 0.133 nan 8.270 nan 0.000 0.433 50 M N -0.611 118.854 119.600 -0.226 0.000 2.200 50 M HA -0.047 4.433 4.480 -0.001 0.000 0.265 50 M C 2.131 178.265 176.300 -0.278 0.000 1.066 50 M CA 1.429 56.458 55.300 -0.451 0.000 1.127 50 M CB -0.738 31.193 32.600 -1.115 0.000 1.379 50 M HN 0.277 nan 8.290 nan 0.000 0.420 51 R N 0.260 120.723 120.500 -0.062 0.000 2.096 51 R HA -0.090 4.249 4.340 -0.001 0.000 0.235 51 R C 2.108 178.481 176.300 0.122 0.000 1.127 51 R CA 1.575 57.753 56.100 0.130 0.000 0.968 51 R CB -0.113 30.338 30.300 0.252 0.000 0.861 51 R HN 0.305 nan 8.270 nan 0.000 0.440 52 A N 1.196 124.081 122.820 0.109 0.000 1.902 52 A HA -0.170 4.150 4.320 -0.001 0.000 0.217 52 A C 1.739 179.373 177.584 0.083 0.000 1.181 52 A CA 1.539 53.645 52.037 0.115 0.000 0.623 52 A CB -0.542 18.516 19.000 0.097 0.000 0.818 52 A HN 0.392 nan 8.150 nan 0.000 0.443 53 N N 0.287 119.002 118.700 0.025 0.000 2.104 53 N HA -0.132 4.607 4.740 -0.001 0.000 0.190 53 N C 1.721 177.257 175.510 0.044 0.000 1.024 53 N CA 1.697 54.756 53.050 0.016 0.000 0.853 53 N CB -0.622 37.843 38.487 -0.038 0.000 1.008 53 N HN 0.277 nan 8.380 nan 0.000 0.424 54 V N 1.831 121.778 119.914 0.056 0.000 2.358 54 V HA -0.154 3.965 4.120 -0.001 0.000 0.246 54 V C 2.340 178.498 176.094 0.106 0.000 1.047 54 V CA 0.984 63.341 62.300 0.094 0.000 1.035 54 V CB -0.312 31.599 31.823 0.146 0.000 0.658 54 V HN 0.203 nan 8.190 nan 0.000 0.452 55 I N 0.854 121.500 120.570 0.127 0.000 2.179 55 I HA -0.197 3.973 4.170 -0.001 0.000 0.242 55 I C 2.351 178.559 176.117 0.151 0.000 1.088 55 I CA 1.623 63.018 61.300 0.159 0.000 1.357 55 I CB -1.439 36.679 38.000 0.197 0.000 1.051 55 I HN 0.395 nan 8.210 nan 0.000 0.409 56 N N 0.706 119.494 118.700 0.146 0.000 2.149 56 N HA -0.229 4.511 4.740 -0.001 0.000 0.188 56 N C 1.823 177.340 175.510 0.012 0.000 1.019 56 N CA 1.174 54.272 53.050 0.079 0.000 0.857 56 N CB -0.320 38.221 38.487 0.090 0.000 0.997 56 N HN 0.490 nan 8.380 nan 0.000 0.426 57 E N 0.593 120.814 120.200 0.035 0.000 2.072 57 E HA -0.062 4.288 4.350 -0.001 0.000 0.191 57 E C 1.968 178.581 176.600 0.022 0.000 0.985 57 E CA 0.537 56.950 56.400 0.021 0.000 0.801 57 E CB -0.003 29.721 29.700 0.041 0.000 0.750 57 E HN 0.289 nan 8.360 nan 0.000 0.452 58 I N 0.782 121.388 120.570 0.060 0.000 2.226 58 I HA -0.298 3.872 4.170 -0.001 0.000 0.245 58 I C 2.499 178.637 176.117 0.035 0.000 1.100 58 I CA 0.817 62.173 61.300 0.095 0.000 1.374 58 I CB -0.199 37.900 38.000 0.165 0.000 1.057 58 I HN 0.240 nan 8.210 nan 0.000 0.413 59 M N -0.357 119.222 119.600 -0.035 0.000 2.159 59 M HA -0.170 4.310 4.480 -0.001 0.000 0.263 59 M C 2.570 178.761 176.300 -0.182 0.000 1.063 59 M CA 1.529 56.744 55.300 -0.142 0.000 1.110 59 M CB -1.348 31.085 32.600 -0.278 0.000 1.374 59 M HN 0.224 nan 8.290 nan 0.000 0.411 60 S N 0.352 115.935 115.700 -0.195 0.000 2.387 60 S HA -0.106 4.363 4.470 -0.001 0.000 0.226 60 S C 1.993 176.350 174.600 -0.405 0.000 1.026 60 S CA 2.017 60.005 58.200 -0.352 0.000 0.972 60 S CB -0.308 62.730 63.200 -0.270 0.000 0.814 60 S HN 0.646 nan 8.310 nan 0.000 0.477 61 T N -0.581 113.887 114.554 -0.142 0.000 2.904 61 T HA 0.044 4.394 4.350 -0.001 0.000 0.267 61 T C 1.597 176.337 174.700 0.067 0.000 1.059 61 T CA 0.980 63.073 62.100 -0.012 0.000 1.137 61 T CB -0.394 68.499 68.868 0.041 0.000 0.879 61 T HN 0.243 nan 8.240 nan 0.000 0.467 62 E N 1.732 121.968 120.200 0.060 0.000 2.072 62 E HA 0.017 4.367 4.350 -0.001 0.000 0.191 62 E C 2.477 179.146 176.600 0.116 0.000 0.985 62 E CA 0.892 57.387 56.400 0.159 0.000 0.801 62 E CB -0.292 29.464 29.700 0.094 0.000 0.750 62 E HN 0.606 nan 8.360 nan 0.000 0.452 63 R N -0.047 120.435 120.500 -0.030 0.000 2.075 63 R HA -0.084 4.256 4.340 -0.001 0.000 0.232 63 R C 2.337 178.660 176.300 0.038 0.000 1.126 63 R CA 1.170 57.245 56.100 -0.042 0.000 0.963 63 R CB -0.392 29.836 30.300 -0.119 0.000 0.858 63 R HN 0.268 nan 8.270 nan 0.000 0.435 64 H N -0.643 118.413 119.070 -0.023 0.000 2.387 64 H HA -0.169 4.386 4.556 -0.001 0.000 0.299 64 H C 1.755 176.967 175.328 -0.194 0.000 1.090 64 H CA 1.313 57.292 56.048 -0.114 0.000 1.332 64 H CB -0.610 29.129 29.762 -0.039 0.000 1.386 64 H HN 0.258 nan 8.280 nan 0.000 0.516 65 Y N 0.806 121.136 120.300 0.050 0.000 2.200 65 Y HA -0.121 4.429 4.550 -0.000 0.000 0.290 65 Y C 2.528 178.486 175.900 0.097 0.000 1.137 65 Y CA 0.786 58.968 58.100 0.138 0.000 1.163 65 Y CB -0.687 37.890 38.460 0.196 0.000 0.988 65 Y HN 0.134 nan 8.280 nan 0.000 0.518 66 I N 0.418 120.972 120.570 -0.027 0.000 2.286 66 I HA -0.305 3.864 4.170 -0.001 0.000 0.248 66 I C 2.329 178.378 176.117 -0.114 0.000 1.115 66 I CA 1.814 63.059 61.300 -0.091 0.000 1.392 66 I CB -0.273 37.750 38.000 0.038 0.000 1.065 66 I HN 0.230 nan 8.210 nan 0.000 0.418 67 K N 0.429 120.754 120.400 -0.126 0.000 2.103 67 K HA -0.252 4.067 4.320 -0.001 0.000 0.207 67 K C 2.068 178.552 176.600 -0.193 0.000 1.048 67 K CA 1.757 57.944 56.287 -0.168 0.000 0.930 67 K CB -0.341 32.066 32.500 -0.155 0.000 0.716 67 K HN 0.394 nan 8.250 nan 0.000 0.444 68 H N 0.584 119.623 119.070 -0.052 0.000 2.321 68 H HA -0.061 4.494 4.556 -0.001 0.000 0.300 68 H C 2.083 177.306 175.328 -0.174 0.000 1.087 68 H CA 1.775 57.795 56.048 -0.048 0.000 1.319 68 H CB -0.418 29.440 29.762 0.159 0.000 1.379 68 H HN 0.170 nan 8.280 nan 0.000 0.501 69 L N 0.555 121.674 121.223 -0.175 0.000 2.012 69 L HA -0.206 4.133 4.340 -0.001 0.000 0.210 69 L C 2.701 179.188 176.870 -0.638 0.000 1.073 69 L CA 1.503 56.135 54.840 -0.345 0.000 0.748 69 L CB -0.430 41.410 42.059 -0.365 0.000 0.891 69 L HN 0.186 nan 8.230 nan 0.000 0.431 70 K N 0.232 120.157 120.400 -0.792 0.000 2.009 70 K HA -0.231 4.088 4.320 -0.001 0.000 0.210 70 K C 1.750 178.083 176.600 -0.444 0.000 1.049 70 K CA 2.025 57.822 56.287 -0.818 0.000 0.929 70 K CB -0.076 32.170 32.500 -0.424 0.000 0.714 70 K HN 0.244 nan 8.250 nan 0.000 0.440 71 D N 0.639 120.848 120.400 -0.318 0.000 2.158 71 D HA -0.178 4.462 4.640 -0.001 0.000 0.197 71 D C 1.899 178.013 176.300 -0.311 0.000 0.995 71 D CA 1.215 55.025 54.000 -0.318 0.000 0.846 71 D CB -0.132 40.465 40.800 -0.339 0.000 0.941 71 D HN 0.348 nan 8.370 nan 0.000 0.456 72 I N -0.021 120.439 120.570 -0.183 0.000 2.353 72 I HA -0.211 3.958 4.170 -0.001 0.000 0.248 72 I C 2.284 178.355 176.117 -0.076 0.000 1.119 72 I CA 0.576 61.897 61.300 0.035 0.000 1.417 72 I CB 0.069 38.164 38.000 0.158 0.000 1.078 72 I HN 0.057 nan 8.210 nan 0.000 0.421 73 C N 0.033 119.207 119.300 -0.210 0.000 2.519 73 C HA 0.018 4.478 4.460 -0.001 0.000 0.281 73 C C 2.564 177.454 174.990 -0.167 0.000 1.331 73 C CA 0.275 59.178 59.018 -0.192 0.000 1.725 73 C CB -0.530 27.093 27.740 -0.195 0.000 2.079 73 C HN 0.428 nan 8.230 nan 0.000 0.496 74 E N 0.529 120.616 120.200 -0.188 0.000 2.385 74 E HA 0.073 4.422 4.350 -0.001 0.000 0.194 74 E C 1.853 178.362 176.600 -0.152 0.000 1.013 74 E CA 0.879 57.198 56.400 -0.135 0.000 0.866 74 E CB -0.140 29.491 29.700 -0.115 0.000 0.832 74 E HN 0.707 nan 8.360 nan 0.000 0.500 75 G N -0.023 108.652 108.800 -0.209 0.000 2.600 75 G HA2 -0.087 3.873 3.960 -0.001 0.000 0.225 75 G HA3 -0.087 3.873 3.960 -0.001 0.000 0.225 75 G C 1.294 176.089 174.900 -0.175 0.000 1.623 75 G CA -0.103 44.841 45.100 -0.260 0.000 0.903 75 G HN 0.141 nan 8.290 nan 0.000 0.574 76 Y N 0.435 120.682 120.300 -0.090 0.000 2.081 76 Y HA -0.101 4.449 4.550 -0.001 0.000 0.280 76 Y C 2.840 178.661 175.900 -0.133 0.000 1.163 76 Y CA 0.894 58.995 58.100 0.002 0.000 1.135 76 Y CB -0.229 38.346 38.460 0.191 0.000 0.970 76 Y HN 0.061 nan 8.280 nan 0.000 0.498 77 L N 0.037 121.123 121.223 -0.229 0.000 2.027 77 L HA -0.247 4.092 4.340 -0.001 0.000 0.206 77 L C 2.363 179.103 176.870 -0.217 0.000 1.074 77 L CA 1.482 56.017 54.840 -0.508 0.000 0.745 77 L CB -0.341 41.361 42.059 -0.594 0.000 0.898 77 L HN 0.251 nan 8.230 nan 0.000 0.433 78 K N -0.711 119.614 120.400 -0.125 0.000 2.032 78 K HA -0.213 4.107 4.320 -0.001 0.000 0.209 78 K C 2.062 178.666 176.600 0.005 0.000 1.048 78 K CA 1.176 57.429 56.287 -0.057 0.000 0.927 78 K CB -0.131 32.338 32.500 -0.051 0.000 0.712 78 K HN 0.343 nan 8.250 nan 0.000 0.441 79 Q N 0.299 120.125 119.800 0.043 0.000 2.124 79 Q HA -0.137 4.203 4.340 -0.001 0.000 0.202 79 Q C 2.364 178.550 176.000 0.310 0.000 0.977 79 Q CA 1.134 57.034 55.803 0.162 0.000 0.850 79 Q CB -0.630 28.169 28.738 0.101 0.000 0.901 79 Q HN 0.391 nan 8.270 nan 0.000 0.429 80 C N 0.345 119.764 119.300 0.198 0.000 2.440 80 C HA -0.063 4.397 4.460 -0.001 0.000 0.278 80 C C 2.675 177.679 174.990 0.025 0.000 1.295 80 C CA 0.311 59.291 59.018 -0.064 0.000 1.738 80 C CB -0.787 26.656 27.740 -0.496 0.000 1.987 80 C HN 0.487 nan 8.230 nan 0.000 0.492 81 R N 0.955 121.463 120.500 0.014 0.000 2.148 81 R HA -0.092 4.248 4.340 -0.001 0.000 0.227 81 R C 2.085 178.426 176.300 0.068 0.000 1.103 81 R CA 0.966 57.091 56.100 0.042 0.000 0.983 81 R CB -0.218 30.088 30.300 0.010 0.000 0.874 81 R HN 0.600 nan 8.270 nan 0.000 0.451 82 K N 0.023 120.471 120.400 0.081 0.000 2.283 82 K HA -0.024 4.295 4.320 -0.001 0.000 0.202 82 K C 0.481 177.131 176.600 0.083 0.000 1.048 82 K CA 0.690 57.025 56.287 0.079 0.000 0.948 82 K CB 0.256 32.809 32.500 0.089 0.000 0.742 82 K HN -0.112 nan 8.250 nan 0.000 0.458 83 R N 0.996 121.564 120.500 0.114 0.000 2.790 83 R HA 0.175 4.514 4.340 -0.001 0.000 0.274 83 R C 0.352 176.701 176.300 0.082 0.000 1.334 83 R CA -0.030 56.111 56.100 0.067 0.000 1.543 83 R CB 0.401 30.691 30.300 -0.016 0.000 1.154 83 R HN 0.090 nan 8.270 nan 0.000 0.601 84 R N 0.408 120.941 120.500 0.055 0.000 2.189 84 R HA -0.098 4.242 4.340 -0.001 0.000 0.218 84 R C 1.223 177.529 176.300 0.010 0.000 1.074 84 R CA 1.401 57.536 56.100 0.058 0.000 0.991 84 R CB 0.169 30.496 30.300 0.044 0.000 0.883 84 R HN 0.426 nan 8.270 nan 0.000 0.457 85 D N 0.335 120.713 120.400 -0.037 0.000 2.218 85 D HA -0.208 4.431 4.640 -0.001 0.000 0.204 85 D C 1.533 177.746 176.300 -0.145 0.000 0.976 85 D CA 1.391 55.344 54.000 -0.078 0.000 0.853 85 D CB -0.075 40.670 40.800 -0.092 0.000 0.939 85 D HN 0.282 nan 8.370 nan 0.000 0.481 86 M N -1.548 117.906 119.600 -0.244 0.000 2.514 86 M HA 0.215 4.694 4.480 -0.001 0.000 0.258 86 M C -0.288 175.648 176.300 -0.606 0.000 1.159 86 M CA 0.192 55.170 55.300 -0.535 0.000 1.116 86 M CB 0.794 32.783 32.600 -1.017 0.000 1.333 86 M HN -0.201 nan 8.290 nan 0.000 0.487 87 F N 0.067 120.026 119.950 0.015 0.000 2.562 87 F HA 0.312 4.839 4.527 -0.001 0.000 0.319 87 F C 0.478 176.314 175.800 0.060 0.000 1.154 87 F CA -1.198 56.849 58.000 0.079 0.000 0.931 87 F CB 1.361 40.419 39.000 0.097 0.000 1.198 87 F HN -0.118 nan 8.300 nan 0.000 0.444 88 S N 0.476 116.302 115.700 0.210 0.000 2.655 88 S HA 0.241 4.711 4.470 -0.001 0.000 0.265 88 S C 0.504 175.202 174.600 0.163 0.000 1.240 88 S CA -0.463 57.824 58.200 0.145 0.000 0.986 88 S CB 1.170 64.424 63.200 0.091 0.000 0.985 88 S HN 0.625 nan 8.310 nan 0.000 0.562 89 D N 0.580 121.049 120.400 0.115 0.000 2.117 89 D HA -0.082 4.558 4.640 -0.001 0.000 0.197 89 D C 1.882 178.247 176.300 0.109 0.000 0.987 89 D CA 1.555 55.619 54.000 0.106 0.000 0.829 89 D CB -0.118 40.727 40.800 0.075 0.000 0.961 89 D HN 0.710 nan 8.370 nan 0.000 0.460 90 E N 0.670 120.924 120.200 0.090 0.000 2.058 90 E HA -0.246 4.104 4.350 -0.001 0.000 0.194 90 E C 2.167 178.828 176.600 0.101 0.000 0.997 90 E CA 0.947 57.395 56.400 0.079 0.000 0.801 90 E CB -0.192 29.541 29.700 0.055 0.000 0.746 90 E HN 0.440 nan 8.360 nan 0.000 0.450 91 Q N 0.401 120.279 119.800 0.129 0.000 2.124 91 Q HA -0.131 4.209 4.340 -0.001 0.000 0.202 91 Q C 2.391 178.519 176.000 0.213 0.000 0.977 91 Q CA 0.959 56.860 55.803 0.163 0.000 0.850 91 Q CB -0.083 28.788 28.738 0.222 0.000 0.901 91 Q HN 0.314 nan 8.270 nan 0.000 0.429 92 L N 0.376 121.748 121.223 0.250 0.000 2.093 92 L HA -0.188 4.152 4.340 -0.001 0.000 0.208 92 L C 2.263 179.309 176.870 0.294 0.000 1.085 92 L CA 1.158 56.191 54.840 0.322 0.000 0.755 92 L CB -0.320 41.884 42.059 0.240 0.000 0.904 92 L HN 0.155 nan 8.230 nan 0.000 0.435 93 K N -0.419 120.090 120.400 0.183 0.000 2.097 93 K HA -0.111 4.208 4.320 -0.001 0.000 0.205 93 K C 2.047 178.713 176.600 0.111 0.000 1.050 93 K CA 0.998 57.371 56.287 0.144 0.000 0.938 93 K CB -0.063 32.496 32.500 0.097 0.000 0.718 93 K HN 0.108 nan 8.250 nan 0.000 0.442 94 V N 1.629 121.592 119.914 0.081 0.000 2.283 94 V HA -0.219 3.901 4.120 -0.001 0.000 0.243 94 V C 2.182 178.262 176.094 -0.022 0.000 1.039 94 V CA 1.551 63.867 62.300 0.026 0.000 1.016 94 V CB -0.283 31.550 31.823 0.018 0.000 0.650 94 V HN 0.237 nan 8.190 nan 0.000 0.449 95 I N -1.030 119.506 120.570 -0.056 0.000 2.226 95 I HA -0.232 3.938 4.170 -0.001 0.000 0.245 95 I C 2.083 177.981 176.117 -0.366 0.000 1.100 95 I CA 2.011 63.146 61.300 -0.275 0.000 1.374 95 I CB -0.235 37.507 38.000 -0.431 0.000 1.057 95 I HN 0.245 nan 8.210 nan 0.000 0.413 96 F N -0.156 119.839 119.950 0.074 0.000 2.678 96 F HA 0.312 4.839 4.527 -0.001 0.000 0.291 96 F C 1.841 177.729 175.800 0.146 0.000 1.123 96 F CA 0.495 58.565 58.000 0.116 0.000 1.395 96 F CB -0.437 38.622 39.000 0.099 0.000 1.121 96 F HN 0.141 nan 8.300 nan 0.000 0.592 97 G N 2.026 110.965 108.800 0.231 0.000 2.611 97 G HA2 -0.428 3.532 3.960 -0.001 0.000 0.301 97 G HA3 -0.428 3.532 3.960 -0.001 0.000 0.301 97 G C 0.541 175.572 174.900 0.218 0.000 1.233 97 G CA 0.513 45.716 45.100 0.172 0.000 0.993 97 G HN 0.449 nan 8.290 nan 0.000 0.553 98 N N 1.049 119.892 118.700 0.238 0.000 2.378 98 N HA 0.267 5.007 4.740 -0.001 0.000 0.243 98 N C 1.522 177.142 175.510 0.182 0.000 1.137 98 N CA 0.463 53.626 53.050 0.188 0.000 0.862 98 N CB 0.527 39.101 38.487 0.146 0.000 1.116 98 N HN 0.557 nan 8.380 nan 0.000 0.499 99 I N 0.958 121.674 120.570 0.243 0.000 2.361 99 I HA -0.166 4.004 4.170 -0.001 0.000 0.251 99 I C 1.830 178.008 176.117 0.102 0.000 1.133 99 I CA 1.406 62.792 61.300 0.144 0.000 1.413 99 I CB -0.039 38.116 38.000 0.258 0.000 1.073 99 I HN 0.209 nan 8.210 nan 0.000 0.424 100 E N -0.024 120.251 120.200 0.125 0.000 2.106 100 E HA -0.198 4.152 4.350 -0.001 0.000 0.192 100 E C 1.653 178.329 176.600 0.127 0.000 0.984 100 E CA 1.219 57.703 56.400 0.141 0.000 0.806 100 E CB -0.082 29.681 29.700 0.105 0.000 0.750 100 E HN 0.498 nan 8.360 nan 0.000 0.458 101 D N 0.531 120.986 120.400 0.092 0.000 2.178 101 D HA -0.124 4.516 4.640 -0.001 0.000 0.201 101 D C 1.886 178.235 176.300 0.081 0.000 0.980 101 D CA 0.780 54.825 54.000 0.075 0.000 0.842 101 D CB -0.047 40.790 40.800 0.061 0.000 0.948 101 D HN 0.243 nan 8.370 nan 0.000 0.472 102 I N 0.104 120.695 120.570 0.035 0.000 2.252 102 I HA -0.278 3.892 4.170 -0.001 0.000 0.245 102 I C 2.341 178.558 176.117 0.166 0.000 1.102 102 I CA 0.782 62.086 61.300 0.007 0.000 1.385 102 I CB -0.230 37.631 38.000 -0.232 0.000 1.064 102 I HN -0.020 nan 8.210 nan 0.000 0.414 103 Y N 2.071 122.361 120.300 -0.017 0.000 2.114 103 Y HA -0.254 4.295 4.550 -0.001 0.000 0.284 103 Y C 2.749 178.649 175.900 0.001 0.000 1.143 103 Y CA 1.615 59.693 58.100 -0.035 0.000 1.135 103 Y CB -0.685 37.743 38.460 -0.054 0.000 0.980 103 Y HN -0.026 nan 8.280 nan 0.000 0.499 104 R N -0.672 119.773 120.500 -0.091 0.000 2.096 104 R HA -0.255 4.085 4.340 -0.001 0.000 0.240 104 R C 2.365 178.628 176.300 -0.061 0.000 1.139 104 R CA 2.070 58.070 56.100 -0.168 0.000 0.952 104 R CB -0.951 29.316 30.300 -0.055 0.000 0.854 104 R HN 0.431 nan 8.270 nan 0.000 0.436 105 F N 1.433 121.345 119.950 -0.064 0.000 2.069 105 F HA -0.237 4.290 4.527 -0.001 0.000 0.298 105 F C 2.315 178.101 175.800 -0.025 0.000 1.113 105 F CA 1.603 59.576 58.000 -0.045 0.000 1.214 105 F CB -0.345 38.626 39.000 -0.049 0.000 0.978 105 F HN 0.059 nan 8.300 nan 0.000 0.474 106 Q N 0.174 119.920 119.800 -0.090 0.000 2.124 106 Q HA -0.207 4.132 4.340 -0.001 0.000 0.202 106 Q C 2.363 178.263 176.000 -0.167 0.000 0.977 106 Q CA 1.967 57.712 55.803 -0.096 0.000 0.850 106 Q CB -0.454 28.405 28.738 0.202 0.000 0.901 106 Q HN 0.555 nan 8.270 nan 0.000 0.429 107 M N -0.927 118.559 119.600 -0.190 0.000 2.117 107 M HA -0.137 4.343 4.480 -0.001 0.000 0.262 107 M C 2.142 178.311 176.300 -0.218 0.000 1.065 107 M CA 1.722 56.898 55.300 -0.206 0.000 1.114 107 M CB -0.610 31.815 32.600 -0.292 0.000 1.361 107 M HN 0.237 nan 8.290 nan 0.000 0.408 108 G N -0.471 108.185 108.800 -0.241 0.000 2.422 108 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.218 108 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.218 108 G C 1.291 176.003 174.900 -0.313 0.000 1.140 108 G CA 0.295 45.275 45.100 -0.199 0.000 0.775 108 G HN 0.360 nan 8.290 nan 0.000 0.545 109 F N 1.372 120.880 119.950 -0.736 0.000 2.113 109 F HA -0.036 4.491 4.527 -0.001 0.000 0.297 109 F C 2.638 178.119 175.800 -0.533 0.000 1.103 109 F CA 1.093 58.534 58.000 -0.931 0.000 1.248 109 F CB -0.499 37.839 39.000 -1.104 0.000 0.999 109 F HN 0.004 nan 8.300 nan 0.000 0.475 110 V N 1.302 120.932 119.914 -0.473 0.000 2.343 110 V HA -0.295 3.825 4.120 -0.001 0.000 0.247 110 V C 2.643 178.538 176.094 -0.332 0.000 1.051 110 V CA 2.174 64.224 62.300 -0.418 0.000 1.036 110 V CB -0.795 30.908 31.823 -0.200 0.000 0.654 110 V HN 0.354 nan 8.190 nan 0.000 0.451 111 R N 0.196 120.545 120.500 -0.251 0.000 2.113 111 R HA -0.244 4.096 4.340 -0.001 0.000 0.244 111 R C 1.963 178.152 176.300 -0.184 0.000 1.142 111 R CA 2.435 58.426 56.100 -0.181 0.000 0.953 111 R CB -0.435 29.783 30.300 -0.138 0.000 0.860 111 R HN 0.502 nan 8.270 nan 0.000 0.438 112 D N 0.321 120.579 120.400 -0.236 0.000 2.149 112 D HA -0.107 4.533 4.640 -0.001 0.000 0.201 112 D C 2.036 178.196 176.300 -0.234 0.000 0.972 112 D CA 0.978 54.867 54.000 -0.184 0.000 0.835 112 D CB -0.072 40.667 40.800 -0.102 0.000 0.966 112 D HN 0.307 nan 8.370 nan 0.000 0.476 113 L N 0.876 121.855 121.223 -0.406 0.000 2.046 113 L HA -0.141 4.198 4.340 -0.001 0.000 0.208 113 L C 2.289 179.061 176.870 -0.163 0.000 1.077 113 L CA 1.135 55.772 54.840 -0.337 0.000 0.747 113 L CB -0.299 41.470 42.059 -0.484 0.000 0.896 113 L HN -0.011 nan 8.230 nan 0.000 0.432 114 E N -0.085 120.014 120.200 -0.168 0.000 2.150 114 E HA -0.234 4.116 4.350 -0.001 0.000 0.193 114 E C 2.080 178.672 176.600 -0.013 0.000 0.985 114 E CA 0.667 57.015 56.400 -0.087 0.000 0.814 114 E CB -0.031 29.599 29.700 -0.117 0.000 0.752 114 E HN 0.319 nan 8.360 nan 0.000 0.466 115 K N 0.673 121.047 120.400 -0.043 0.000 2.147 115 K HA -0.173 4.146 4.320 -0.001 0.000 0.205 115 K C 1.779 178.383 176.600 0.006 0.000 1.049 115 K CA 1.050 57.326 56.287 -0.018 0.000 0.936 115 K CB 0.246 32.726 32.500 -0.034 0.000 0.722 115 K HN 0.017 nan 8.250 nan 0.000 0.446 116 Q N -0.710 119.095 119.800 0.009 0.000 2.408 116 Q HA -0.027 4.313 4.340 -0.001 0.000 0.205 116 Q C -0.266 175.770 176.000 0.060 0.000 0.919 116 Q CA 0.133 55.948 55.803 0.020 0.000 0.932 116 Q CB 0.029 28.770 28.738 0.005 0.000 1.058 116 Q HN 0.273 nan 8.270 nan 0.000 0.517 117 Y N 2.725 123.000 120.300 -0.042 0.000 2.544 117 Y HA 0.043 4.593 4.550 -0.001 0.000 0.330 117 Y C 0.198 176.089 175.900 -0.014 0.000 1.136 117 Y CA -0.462 57.623 58.100 -0.025 0.000 1.417 117 Y CB 0.347 38.785 38.460 -0.037 0.000 1.229 117 Y HN -0.094 nan 8.280 nan 0.000 0.532 118 N N 6.364 124.783 118.700 -0.469 0.000 2.500 118 N HA 0.035 4.774 4.740 -0.001 0.000 0.236 118 N C 0.276 175.478 175.510 -0.514 0.000 1.022 118 N CA 0.085 52.927 53.050 -0.347 0.000 0.935 118 N CB 0.051 38.402 38.487 -0.228 0.000 1.147 118 N HN 0.872 nan 8.380 nan 0.000 0.512 119 N N 2.408 120.930 118.700 -0.296 0.000 2.104 119 N HA -0.148 4.591 4.740 -0.001 0.000 0.190 119 N C 0.062 175.508 175.510 -0.107 0.000 1.024 119 N CA 1.276 54.238 53.050 -0.147 0.000 0.853 119 N CB 0.244 38.756 38.487 0.042 0.000 1.008 119 N HN 0.589 nan 8.380 nan 0.000 0.424 120 D N 0.136 120.485 120.400 -0.086 0.000 2.269 120 D HA -0.037 4.602 4.640 -0.001 0.000 0.208 120 D C -0.034 176.241 176.300 -0.041 0.000 0.963 120 D CA 1.096 55.069 54.000 -0.044 0.000 0.864 120 D CB 0.065 40.847 40.800 -0.030 0.000 0.936 120 D HN 0.129 nan 8.370 nan 0.000 0.505 121 D N -1.622 118.732 120.400 -0.077 0.000 2.584 121 D HA 0.112 4.751 4.640 -0.001 0.000 0.238 121 D C -2.194 174.068 176.300 -0.064 0.000 1.302 121 D CA -1.371 52.623 54.000 -0.010 0.000 0.884 121 D CB 1.352 42.178 40.800 0.044 0.000 1.456 121 D HN -0.190 nan 8.370 nan 0.000 0.528 122 P HA -0.133 nan 4.420 nan 0.000 0.220 122 P C 1.428 178.720 177.300 -0.013 0.000 1.148 122 P CA 0.896 63.868 63.100 -0.212 0.000 0.803 122 P CB -0.085 31.555 31.700 -0.101 0.000 0.782 123 H N -0.101 118.967 119.070 -0.003 0.000 2.491 123 H HA -0.006 4.549 4.556 -0.001 0.000 0.290 123 H C 1.394 176.828 175.328 0.175 0.000 1.050 123 H CA 0.918 57.016 56.048 0.083 0.000 1.309 123 H CB -0.982 28.822 29.762 0.070 0.000 1.392 123 H HN 0.174 nan 8.280 nan 0.000 0.554 124 L N 1.101 122.019 121.223 -0.509 0.000 2.554 124 L HA 0.051 4.391 4.340 -0.001 0.000 0.226 124 L C 0.694 177.531 176.870 -0.054 0.000 1.137 124 L CA -0.169 54.434 54.840 -0.395 0.000 0.863 124 L CB -0.104 41.741 42.059 -0.356 0.000 0.985 124 L HN 0.031 nan 8.230 nan 0.000 0.451 125 S N 1.058 116.732 115.700 -0.043 0.000 2.563 125 S HA -0.091 4.379 4.470 -0.001 0.000 0.294 125 S C 0.451 175.105 174.600 0.090 0.000 1.279 125 S CA 0.259 58.462 58.200 0.005 0.000 1.069 125 S CB 0.339 63.545 63.200 0.011 0.000 0.828 125 S HN 0.245 nan 8.310 nan 0.000 0.497 126 E N 2.935 123.184 120.200 0.083 0.000 2.103 126 E HA 0.268 4.617 4.350 -0.001 0.000 0.254 126 E C 0.620 177.262 176.600 0.070 0.000 0.940 126 E CA -0.259 56.199 56.400 0.098 0.000 0.771 126 E CB 0.017 29.774 29.700 0.096 0.000 1.153 126 E HN 0.768 nan 8.360 nan 0.000 0.428 127 I N 1.229 121.857 120.570 0.097 0.000 4.018 127 I HA 0.410 4.580 4.170 -0.001 0.000 0.337 127 I C 1.419 177.676 176.117 0.233 0.000 1.327 127 I CA -0.112 61.270 61.300 0.136 0.000 1.100 127 I CB 0.559 38.660 38.000 0.168 0.000 1.025 127 I HN 0.491 nan 8.210 nan 0.000 0.396 128 G N 2.946 111.856 108.800 0.184 0.000 2.446 128 G HA2 -0.125 3.834 3.960 -0.001 0.000 0.217 128 G HA3 -0.125 3.834 3.960 -0.001 0.000 0.217 128 G C -0.483 174.539 174.900 0.204 0.000 1.168 128 G CA 1.111 46.343 45.100 0.220 0.000 0.771 128 G HN 0.370 nan 8.290 nan 0.000 0.551 129 P HA -0.057 nan 4.420 nan 0.000 0.218 129 P C 1.874 179.237 177.300 0.105 0.000 1.148 129 P CA 1.034 64.083 63.100 -0.086 0.000 0.822 129 P CB -0.157 31.353 31.700 -0.316 0.000 0.784 130 C N -2.185 117.207 119.300 0.153 0.000 2.413 130 C HA -0.152 4.308 4.460 -0.001 0.000 0.276 130 C C 2.412 177.636 174.990 0.390 0.000 1.236 130 C CA 0.749 59.894 59.018 0.212 0.000 1.735 130 C CB -2.164 25.573 27.740 -0.005 0.000 2.031 130 C HN 0.153 nan 8.230 nan 0.000 0.474 131 F N 0.955 121.106 119.950 0.334 0.000 2.146 131 F HA -0.040 4.487 4.527 -0.000 0.000 0.298 131 F C 2.277 178.203 175.800 0.209 0.000 1.096 131 F CA 1.320 59.490 58.000 0.284 0.000 1.275 131 F CB -0.679 38.378 39.000 0.096 0.000 1.008 131 F HN 0.117 nan 8.300 nan 0.000 0.480 132 L N 0.114 121.538 121.223 0.335 0.000 2.056 132 L HA -0.194 4.146 4.340 -0.001 0.000 0.207 132 L C 2.487 179.452 176.870 0.159 0.000 1.078 132 L CA 1.687 56.651 54.840 0.207 0.000 0.749 132 L CB -0.835 41.324 42.059 0.166 0.000 0.901 132 L HN 0.260 nan 8.230 nan 0.000 0.433 133 E N -0.983 119.303 120.200 0.144 0.000 2.418 133 E HA -0.184 4.165 4.350 -0.001 0.000 0.197 133 E C 1.103 177.655 176.600 -0.079 0.000 1.026 133 E CA 0.906 57.324 56.400 0.029 0.000 0.862 133 E CB -0.134 29.555 29.700 -0.019 0.000 0.799 133 E HN 0.624 nan 8.360 nan 0.000 0.518 134 H N 0.991 120.110 119.070 0.082 0.000 2.542 134 H HA 0.086 4.642 4.556 -0.001 0.000 0.283 134 H C 1.708 177.039 175.328 0.004 0.000 1.059 134 H CA 0.519 56.583 56.048 0.027 0.000 1.162 134 H CB 0.629 30.339 29.762 -0.087 0.000 1.539 134 H HN 0.442 nan 8.280 nan 0.000 0.543 135 Q N 0.461 120.360 119.800 0.166 0.000 2.096 135 Q HA -0.146 4.194 4.340 -0.001 0.000 0.204 135 Q C 0.598 176.574 176.000 -0.042 0.000 0.982 135 Q CA 1.611 57.508 55.803 0.158 0.000 0.850 135 Q CB 0.008 28.805 28.738 0.097 0.000 0.901 135 Q HN 0.147 nan 8.270 nan 0.000 0.422 136 D N 0.765 121.175 120.400 0.018 0.000 2.312 136 D HA -0.023 4.617 4.640 -0.001 0.000 0.211 136 D C 1.953 178.242 176.300 -0.019 0.000 0.964 136 D CA 1.141 55.198 54.000 0.095 0.000 0.877 136 D CB -0.254 40.693 40.800 0.245 0.000 0.924 136 D HN 0.527 nan 8.370 nan 0.000 0.515 137 G N 0.024 108.728 108.800 -0.159 0.000 2.448 137 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.219 137 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.219 137 G C 1.271 175.604 174.900 -0.946 0.000 1.127 137 G CA -0.017 44.806 45.100 -0.463 0.000 0.766 137 G HN 0.240 nan 8.290 nan 0.000 0.552 138 F N -0.822 118.729 119.950 -0.666 0.000 2.546 138 F HA 0.087 4.613 4.527 -0.000 0.000 0.298 138 F C 2.064 177.739 175.800 -0.209 0.000 1.120 138 F CA 0.147 57.832 58.000 -0.525 0.000 1.456 138 F CB -0.124 38.526 39.000 -0.582 0.000 1.088 138 F HN 0.198 nan 8.300 nan 0.000 0.572 139 W N 0.743 122.093 121.300 0.085 0.000 2.595 139 W HA -0.037 4.623 4.660 -0.001 0.000 0.257 139 W C 2.334 178.926 176.519 0.122 0.000 1.267 139 W CA 0.225 57.640 57.345 0.116 0.000 1.300 139 W CB -0.329 29.178 29.460 0.079 0.000 1.120 139 W HN 0.072 nan 8.180 nan 0.000 0.618 140 I N -2.421 118.293 120.570 0.239 0.000 2.700 140 I HA -0.283 3.887 4.170 -0.001 0.000 0.261 140 I C 1.508 177.725 176.117 0.167 0.000 1.219 140 I CA 1.380 62.766 61.300 0.144 0.000 1.463 140 I CB -0.904 37.090 38.000 -0.010 0.000 1.092 140 I HN -0.019 nan 8.210 nan 0.000 0.452 141 Y N 1.319 121.720 120.300 0.168 0.000 2.439 141 Y HA -0.123 4.427 4.550 -0.000 0.000 0.292 141 Y C 3.094 179.151 175.900 0.262 0.000 1.130 141 Y CA 1.484 59.713 58.100 0.215 0.000 1.254 141 Y CB -0.338 38.231 38.460 0.182 0.000 1.000 141 Y HN 0.288 nan 8.280 nan 0.000 0.554 142 S N 0.161 116.111 115.700 0.418 0.000 2.356 142 S HA -0.281 4.188 4.470 -0.001 0.000 0.223 142 S C 2.127 176.902 174.600 0.292 0.000 1.032 142 S CA 1.798 60.203 58.200 0.342 0.000 1.005 142 S CB -0.329 63.076 63.200 0.340 0.000 0.867 142 S HN 0.657 nan 8.310 nan 0.000 0.449 143 E N -1.176 119.186 120.200 0.270 0.000 2.110 143 E HA -0.215 4.134 4.350 -0.001 0.000 0.193 143 E C 1.927 178.637 176.600 0.183 0.000 0.988 143 E CA 1.258 57.783 56.400 0.209 0.000 0.804 143 E CB -0.452 29.350 29.700 0.169 0.000 0.745 143 E HN 0.745 nan 8.360 nan 0.000 0.458 144 Y N 0.834 121.196 120.300 0.103 0.000 2.097 144 Y HA -0.310 4.240 4.550 -0.001 0.000 0.282 144 Y C 2.426 178.385 175.900 0.098 0.000 1.152 144 Y CA 2.002 60.142 58.100 0.068 0.000 1.136 144 Y CB -0.498 37.961 38.460 -0.002 0.000 0.975 144 Y HN 0.222 nan 8.280 nan 0.000 0.498 145 C N 0.254 119.695 119.300 0.236 0.000 2.440 145 C HA -0.174 4.286 4.460 -0.001 0.000 0.278 145 C C 2.446 177.509 174.990 0.122 0.000 1.295 145 C CA 1.463 60.589 59.018 0.180 0.000 1.738 145 C CB -1.547 26.325 27.740 0.221 0.000 1.987 145 C HN 0.618 nan 8.230 nan 0.000 0.492 146 N N 0.807 119.586 118.700 0.132 0.000 2.309 146 N HA -0.134 4.606 4.740 -0.001 0.000 0.182 146 N C 1.394 176.942 175.510 0.064 0.000 1.018 146 N CA 0.893 54.014 53.050 0.120 0.000 0.876 146 N CB -0.241 38.354 38.487 0.180 0.000 0.972 146 N HN 0.550 nan 8.380 nan 0.000 0.434 147 N N 0.209 118.917 118.700 0.014 0.000 2.422 147 N HA -0.065 4.674 4.740 -0.001 0.000 0.181 147 N C 1.465 176.945 175.510 -0.049 0.000 1.080 147 N CA 0.405 53.435 53.050 -0.032 0.000 0.893 147 N CB 0.041 38.488 38.487 -0.067 0.000 0.973 147 N HN 0.300 nan 8.380 nan 0.000 0.456 148 H N -0.604 118.347 119.070 -0.198 0.000 2.389 148 H HA -0.057 4.498 4.556 -0.001 0.000 0.299 148 H C 1.216 176.465 175.328 -0.132 0.000 1.081 148 H CA 0.732 56.641 56.048 -0.230 0.000 1.345 148 H CB 0.315 29.964 29.762 -0.188 0.000 1.393 148 H HN 0.145 nan 8.280 nan 0.000 0.520 149 L N 1.275 122.432 121.223 -0.111 0.000 2.012 149 L HA -0.191 4.149 4.340 -0.001 0.000 0.210 149 L C 1.958 178.746 176.870 -0.135 0.000 1.073 149 L CA 1.604 56.352 54.840 -0.153 0.000 0.748 149 L CB -1.104 40.912 42.059 -0.072 0.000 0.891 149 L HN 0.299 nan 8.230 nan 0.000 0.431 150 D N -0.736 119.613 120.400 -0.086 0.000 2.218 150 D HA -0.108 4.532 4.640 -0.001 0.000 0.204 150 D C 2.164 178.409 176.300 -0.093 0.000 0.976 150 D CA 1.237 55.193 54.000 -0.073 0.000 0.853 150 D CB 0.135 40.909 40.800 -0.044 0.000 0.939 150 D HN 0.320 nan 8.370 nan 0.000 0.481 151 A N -0.028 122.724 122.820 -0.114 0.000 1.897 151 A HA -0.150 4.169 4.320 -0.001 0.000 0.215 151 A C 2.484 179.962 177.584 -0.178 0.000 1.181 151 A CA 1.025 52.986 52.037 -0.127 0.000 0.620 151 A CB -0.831 18.122 19.000 -0.080 0.000 0.821 151 A HN 0.340 nan 8.150 nan 0.000 0.443 152 C N -1.532 117.610 119.300 -0.263 0.000 2.440 152 C HA -0.061 4.399 4.460 -0.001 0.000 0.278 152 C C 2.727 177.616 174.990 -0.169 0.000 1.295 152 C CA 1.455 60.313 59.018 -0.266 0.000 1.738 152 C CB -1.135 26.395 27.740 -0.350 0.000 1.987 152 C HN 0.718 nan 8.230 nan 0.000 0.492 153 M N 0.914 120.430 119.600 -0.141 0.000 2.067 153 M HA -0.128 4.351 4.480 -0.001 0.000 0.260 153 M C 2.116 178.361 176.300 -0.092 0.000 1.069 153 M CA 1.923 57.161 55.300 -0.102 0.000 1.117 153 M CB -0.305 32.245 32.600 -0.083 0.000 1.334 153 M HN 0.268 nan 8.290 nan 0.000 0.407 154 E N -0.017 120.130 120.200 -0.089 0.000 2.047 154 E HA -0.183 4.166 4.350 -0.001 0.000 0.191 154 E C 1.783 178.333 176.600 -0.083 0.000 0.987 154 E CA 1.266 57.621 56.400 -0.074 0.000 0.799 154 E CB -0.583 29.087 29.700 -0.051 0.000 0.752 154 E HN 0.431 nan 8.360 nan 0.000 0.449 155 L N 0.226 121.391 121.223 -0.098 0.000 2.042 155 L HA -0.121 4.218 4.340 -0.001 0.000 0.210 155 L C 2.393 179.212 176.870 -0.084 0.000 1.076 155 L CA 2.068 56.850 54.840 -0.097 0.000 0.749 155 L CB -1.072 40.888 42.059 -0.165 0.000 0.893 155 L HN 0.140 nan 8.230 nan 0.000 0.432 156 S N -1.190 114.455 115.700 -0.091 0.000 2.406 156 S HA -0.190 4.280 4.470 -0.001 0.000 0.228 156 S C 2.083 176.641 174.600 -0.070 0.000 1.020 156 S CA 1.239 59.396 58.200 -0.072 0.000 0.965 156 S CB -0.207 62.949 63.200 -0.074 0.000 0.798 156 S HN 0.493 nan 8.310 nan 0.000 0.488 157 K N 0.605 120.953 120.400 -0.088 0.000 2.097 157 K HA 0.025 4.345 4.320 -0.001 0.000 0.205 157 K C 1.917 178.423 176.600 -0.157 0.000 1.050 157 K CA 0.995 57.222 56.287 -0.099 0.000 0.938 157 K CB -0.156 32.288 32.500 -0.093 0.000 0.718 157 K HN 0.357 nan 8.250 nan 0.000 0.442 158 L N 0.159 121.245 121.223 -0.228 0.000 2.109 158 L HA -0.095 4.245 4.340 -0.001 0.000 0.207 158 L C 2.478 179.167 176.870 -0.303 0.000 1.086 158 L CA 0.589 55.128 54.840 -0.502 0.000 0.760 158 L CB -0.202 41.444 42.059 -0.688 0.000 0.910 158 L HN 0.226 nan 8.230 nan 0.000 0.437 159 M N -0.116 119.450 119.600 -0.056 0.000 2.557 159 M HA -0.109 4.370 4.480 -0.001 0.000 0.259 159 M C 1.771 178.116 176.300 0.076 0.000 1.086 159 M CA 1.449 56.809 55.300 0.099 0.000 1.096 159 M CB -0.254 32.400 32.600 0.090 0.000 1.424 159 M HN -0.078 nan 8.290 nan 0.000 0.488 160 K N -0.138 120.269 120.400 0.012 0.000 2.442 160 K HA -0.072 4.248 4.320 -0.001 0.000 0.198 160 K C 0.139 176.764 176.600 0.041 0.000 1.042 160 K CA 0.531 56.830 56.287 0.020 0.000 0.958 160 K CB -0.090 32.405 32.500 -0.009 0.000 0.766 160 K HN 0.208 nan 8.250 nan 0.000 0.474 161 D N -0.326 120.115 120.400 0.069 0.000 2.329 161 D HA 0.019 4.659 4.640 -0.001 0.000 0.232 161 D C 0.661 177.060 176.300 0.164 0.000 1.088 161 D CA -0.279 53.791 54.000 0.116 0.000 0.835 161 D CB 1.391 42.295 40.800 0.173 0.000 1.078 161 D HN 0.023 nan 8.370 nan 0.000 0.495 162 S N 4.019 119.751 115.700 0.053 0.000 2.500 162 S HA -0.140 4.329 4.470 -0.001 0.000 0.239 162 S C 1.540 176.036 174.600 -0.174 0.000 0.989 162 S CA 0.496 58.676 58.200 -0.033 0.000 0.951 162 S CB -0.112 63.010 63.200 -0.130 0.000 0.759 162 S HN 0.515 nan 8.310 nan 0.000 0.523 163 R N -0.497 119.940 120.500 -0.105 0.000 2.092 163 R HA 0.004 4.344 4.340 -0.001 0.000 0.231 163 R C 1.814 178.015 176.300 -0.164 0.000 1.119 163 R CA 1.651 57.628 56.100 -0.205 0.000 0.970 163 R CB -0.486 29.640 30.300 -0.290 0.000 0.864 163 R HN 0.532 nan 8.270 nan 0.000 0.440 164 Y N 1.204 121.505 120.300 0.002 0.000 2.242 164 Y HA -0.152 4.398 4.550 -0.001 0.000 0.291 164 Y C 2.500 178.575 175.900 0.290 0.000 1.137 164 Y CA 1.204 59.359 58.100 0.092 0.000 1.181 164 Y CB -0.180 38.360 38.460 0.133 0.000 0.989 164 Y HN 0.075 nan 8.280 nan 0.000 0.527 165 Q N -0.961 119.100 119.800 0.435 0.000 2.079 165 Q HA -0.202 4.138 4.340 -0.001 0.000 0.200 165 Q C 1.862 178.136 176.000 0.457 0.000 0.974 165 Q CA 1.696 57.773 55.803 0.457 0.000 0.840 165 Q CB -0.242 28.733 28.738 0.395 0.000 0.898 165 Q HN 0.570 nan 8.270 nan 0.000 0.430 166 H N -0.574 118.599 119.070 0.172 0.000 2.357 166 H HA -0.111 4.445 4.556 -0.001 0.000 0.301 166 H C 1.539 176.944 175.328 0.128 0.000 1.082 166 H CA 1.192 57.314 56.048 0.124 0.000 1.342 166 H CB -0.517 29.293 29.762 0.080 0.000 1.389 166 H HN 0.246 nan 8.280 nan 0.000 0.511 167 F N 0.412 120.410 119.950 0.080 0.000 2.095 167 F HA -0.205 4.322 4.527 -0.001 0.000 0.298 167 F C 1.867 177.688 175.800 0.035 0.000 1.104 167 F CA 1.385 59.359 58.000 -0.044 0.000 1.232 167 F CB -0.667 38.188 39.000 -0.242 0.000 0.987 167 F HN 0.072 nan 8.300 nan 0.000 0.475 168 F N 0.369 120.459 119.950 0.233 0.000 2.234 168 F HA -0.117 4.410 4.527 -0.001 0.000 0.299 168 F C 2.439 178.327 175.800 0.147 0.000 1.087 168 F CA 0.993 59.092 58.000 0.165 0.000 1.340 168 F CB -0.431 38.718 39.000 0.247 0.000 1.031 168 F HN 0.058 nan 8.300 nan 0.000 0.500 169 E N 1.082 121.447 120.200 0.274 0.000 2.072 169 E HA -0.170 4.179 4.350 -0.001 0.000 0.191 169 E C 2.132 178.770 176.600 0.064 0.000 0.985 169 E CA 1.382 57.878 56.400 0.160 0.000 0.801 169 E CB -0.351 29.406 29.700 0.094 0.000 0.750 169 E HN 0.220 nan 8.360 nan 0.000 0.452 170 A N 0.074 122.896 122.820 0.003 0.000 1.908 170 A HA -0.214 4.105 4.320 -0.001 0.000 0.218 170 A C 2.586 180.107 177.584 -0.106 0.000 1.181 170 A CA 1.564 53.567 52.037 -0.057 0.000 0.627 170 A CB -1.129 17.828 19.000 -0.073 0.000 0.818 170 A HN 0.521 nan 8.150 nan 0.000 0.445 171 C N -1.108 118.096 119.300 -0.160 0.000 2.413 171 C HA -0.099 4.361 4.460 -0.001 0.000 0.276 171 C C 2.828 177.702 174.990 -0.194 0.000 1.248 171 C CA 1.273 60.179 59.018 -0.186 0.000 1.742 171 C CB -1.305 26.402 27.740 -0.054 0.000 2.017 171 C HN 0.737 nan 8.230 nan 0.000 0.481 172 R N 0.690 121.173 120.500 -0.029 0.000 2.081 172 R HA -0.084 4.255 4.340 -0.001 0.000 0.235 172 R C 2.049 178.300 176.300 -0.083 0.000 1.131 172 R CA 1.451 57.517 56.100 -0.057 0.000 0.960 172 R CB -0.298 30.086 30.300 0.140 0.000 0.856 172 R HN 0.499 nan 8.270 nan 0.000 0.436 173 L N 0.662 121.858 121.223 -0.046 0.000 2.056 173 L HA -0.167 4.172 4.340 -0.001 0.000 0.207 173 L C 2.529 179.353 176.870 -0.076 0.000 1.078 173 L CA 0.581 55.393 54.840 -0.047 0.000 0.749 173 L CB -0.539 41.502 42.059 -0.030 0.000 0.901 173 L HN 0.240 nan 8.230 nan 0.000 0.433 174 L N -0.189 120.974 121.223 -0.101 0.000 2.013 174 L HA -0.250 4.090 4.340 -0.001 0.000 0.212 174 L C 2.500 179.289 176.870 -0.135 0.000 1.073 174 L CA 1.817 56.590 54.840 -0.113 0.000 0.753 174 L CB -0.456 41.525 42.059 -0.130 0.000 0.890 174 L HN 0.271 nan 8.230 nan 0.000 0.432 175 Q N -0.281 119.405 119.800 -0.191 0.000 2.444 175 Q HA -0.009 4.331 4.340 -0.001 0.000 0.206 175 Q C 0.236 176.145 176.000 -0.152 0.000 0.948 175 Q CA 0.194 55.872 55.803 -0.209 0.000 0.946 175 Q CB 0.093 28.629 28.738 -0.337 0.000 1.027 175 Q HN 0.597 nan 8.270 nan 0.000 0.513 176 Q N -0.476 119.260 119.800 -0.108 0.000 2.475 176 Q HA -0.207 4.133 4.340 -0.001 0.000 0.280 176 Q C -0.363 175.607 176.000 -0.050 0.000 1.234 176 Q CA 0.763 56.527 55.803 -0.065 0.000 0.873 176 Q CB -2.117 26.588 28.738 -0.055 0.000 1.256 176 Q HN 0.447 nan 8.270 nan 0.000 0.475 177 M N 0.340 119.903 119.600 -0.061 0.000 2.283 177 M HA 0.449 4.929 4.480 -0.001 0.000 0.314 177 M C 1.144 177.513 176.300 0.115 0.000 1.153 177 M CA -0.584 54.712 55.300 -0.007 0.000 1.084 177 M CB 0.732 33.222 32.600 -0.184 0.000 1.468 177 M HN 0.270 nan 8.290 nan 0.000 0.474 178 I N -1.835 118.876 120.570 0.235 0.000 3.004 178 I HA 0.114 4.283 4.170 -0.001 0.000 0.287 178 I C 0.278 176.534 176.117 0.231 0.000 1.144 178 I CA -0.426 60.991 61.300 0.196 0.000 1.353 178 I CB 0.293 38.393 38.000 0.166 0.000 1.417 178 I HN 0.522 nan 8.210 nan 0.000 0.602 179 D N 3.680 124.161 120.400 0.134 0.000 2.885 179 D HA 0.252 4.891 4.640 -0.001 0.000 0.234 179 D C -0.443 175.907 176.300 0.085 0.000 1.129 179 D CA 0.053 54.122 54.000 0.116 0.000 0.991 179 D CB -0.266 40.575 40.800 0.069 0.000 1.137 179 D HN 0.288 nan 8.370 nan 0.000 0.459 180 I N 1.062 121.692 120.570 0.100 0.000 2.493 180 I HA 0.410 4.580 4.170 -0.001 0.000 0.298 180 I C 0.846 177.026 176.117 0.106 0.000 0.998 180 I CA -1.255 60.012 61.300 -0.054 0.000 1.137 180 I CB 1.163 38.916 38.000 -0.412 0.000 1.310 180 I HN 0.012 nan 8.210 nan 0.000 0.445 181 A N 5.369 128.215 122.820 0.044 0.000 2.327 181 A HA 0.277 4.597 4.320 -0.001 0.000 0.255 181 A C 1.452 179.119 177.584 0.139 0.000 1.099 181 A CA -0.159 51.941 52.037 0.105 0.000 0.801 181 A CB 0.206 19.226 19.000 0.033 0.000 1.062 181 A HN 0.851 nan 8.150 nan 0.000 0.496 182 I N -0.090 120.500 120.570 0.033 0.000 2.208 182 I HA -0.252 3.918 4.170 -0.001 0.000 0.245 182 I C 2.044 178.117 176.117 -0.073 0.000 1.097 182 I CA 2.464 63.689 61.300 -0.125 0.000 1.363 182 I CB -0.313 37.203 38.000 -0.808 0.000 1.051 182 I HN 0.896 nan 8.210 nan 0.000 0.413 183 D N 0.123 120.454 120.400 -0.116 0.000 2.182 183 D HA -0.191 4.449 4.640 -0.001 0.000 0.201 183 D C 2.058 178.364 176.300 0.010 0.000 0.986 183 D CA 1.441 55.409 54.000 -0.054 0.000 0.847 183 D CB -0.878 39.873 40.800 -0.082 0.000 0.942 183 D HN 0.494 nan 8.370 nan 0.000 0.467 184 G N 0.316 109.079 108.800 -0.062 0.000 2.421 184 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.216 184 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.216 184 G C 1.480 176.268 174.900 -0.186 0.000 1.171 184 G CA 0.387 45.386 45.100 -0.167 0.000 0.775 184 G HN 0.266 nan 8.290 nan 0.000 0.543 185 F N 0.429 120.382 119.950 0.006 0.000 2.234 185 F HA 0.149 4.676 4.527 -0.001 0.000 0.299 185 F C 2.509 178.352 175.800 0.072 0.000 1.087 185 F CA 0.485 58.492 58.000 0.012 0.000 1.340 185 F CB -0.064 38.988 39.000 0.087 0.000 1.031 185 F HN 0.008 nan 8.300 nan 0.000 0.500 186 L N -0.619 120.756 121.223 0.253 0.000 2.376 186 L HA -0.153 4.187 4.340 -0.001 0.000 0.219 186 L C 2.151 179.155 176.870 0.225 0.000 1.133 186 L CA 0.272 55.269 54.840 0.262 0.000 0.816 186 L CB -0.365 41.822 42.059 0.214 0.000 0.933 186 L HN 0.200 nan 8.230 nan 0.000 0.449 187 L N -0.090 121.242 121.223 0.181 0.000 2.291 187 L HA -0.121 4.219 4.340 -0.001 0.000 0.214 187 L C 2.616 179.556 176.870 0.116 0.000 1.120 187 L CA 1.822 56.748 54.840 0.142 0.000 0.799 187 L CB -0.585 41.562 42.059 0.147 0.000 0.925 187 L HN 0.350 nan 8.230 nan 0.000 0.446 188 T N -2.871 111.765 114.554 0.137 0.000 2.759 188 T HA -0.103 4.247 4.350 -0.001 0.000 0.269 188 T C -0.363 174.472 174.700 0.226 0.000 1.042 188 T CA 1.199 63.408 62.100 0.183 0.000 1.140 188 T CB -1.816 67.235 68.868 0.304 0.000 0.864 188 T HN 0.255 nan 8.240 nan 0.000 0.455 189 P HA 0.060 nan 4.420 nan 0.000 0.218 189 P C 1.781 179.237 177.300 0.260 0.000 1.149 189 P CA 0.373 63.651 63.100 0.295 0.000 0.817 189 P CB -0.254 31.356 31.700 -0.150 0.000 0.785 190 V N -0.059 119.971 119.914 0.193 0.000 2.307 190 V HA -0.272 3.848 4.120 -0.001 0.000 0.245 190 V C 2.500 178.627 176.094 0.054 0.000 1.045 190 V CA 1.825 64.224 62.300 0.165 0.000 1.024 190 V CB -1.418 30.495 31.823 0.149 0.000 0.651 190 V HN 0.150 nan 8.190 nan 0.000 0.449 191 Q N -0.055 119.758 119.800 0.022 0.000 2.096 191 Q HA -0.289 4.050 4.340 -0.001 0.000 0.204 191 Q C 2.318 178.225 176.000 -0.155 0.000 0.982 191 Q CA 1.917 57.692 55.803 -0.047 0.000 0.850 191 Q CB -0.258 28.459 28.738 -0.035 0.000 0.901 191 Q HN 0.468 nan 8.270 nan 0.000 0.422 192 K N 0.866 121.126 120.400 -0.233 0.000 2.057 192 K HA -0.137 4.182 4.320 -0.001 0.000 0.206 192 K C 1.684 177.944 176.600 -0.566 0.000 1.050 192 K CA 0.843 56.818 56.287 -0.520 0.000 0.935 192 K CB -0.248 31.755 32.500 -0.828 0.000 0.715 192 K HN 0.098 nan 8.250 nan 0.000 0.439 193 I N 0.224 120.595 120.570 -0.332 0.000 2.546 193 I HA -0.183 3.986 4.170 -0.001 0.000 0.255 193 I C 1.103 177.101 176.117 -0.197 0.000 1.163 193 I CA 0.944 62.060 61.300 -0.306 0.000 1.457 193 I CB -0.165 37.655 38.000 -0.300 0.000 1.092 193 I HN 0.236 nan 8.210 nan 0.000 0.434 194 C N -0.374 118.829 119.300 -0.160 0.000 2.618 194 C HA 0.083 4.542 4.460 -0.001 0.000 0.264 194 C C 2.410 177.312 174.990 -0.147 0.000 1.334 194 C CA 0.017 58.966 59.018 -0.115 0.000 1.731 194 C CB -1.209 26.490 27.740 -0.067 0.000 1.852 194 C HN 0.370 nan 8.230 nan 0.000 0.566 195 K N -0.435 119.820 120.400 -0.242 0.000 2.284 195 K HA 0.107 4.427 4.320 -0.001 0.000 0.198 195 K C 1.387 177.872 176.600 -0.192 0.000 1.048 195 K CA 0.628 56.779 56.287 -0.226 0.000 0.987 195 K CB -0.112 32.230 32.500 -0.264 0.000 0.800 195 K HN 0.552 nan 8.250 nan 0.000 0.486 196 Y N 0.680 120.897 120.300 -0.138 0.000 2.165 196 Y HA -0.189 4.361 4.550 -0.001 0.000 0.286 196 Y C -0.877 174.896 175.900 -0.211 0.000 1.155 196 Y CA 0.920 58.928 58.100 -0.152 0.000 1.164 196 Y CB -0.957 37.384 38.460 -0.198 0.000 0.978 196 Y HN 0.148 nan 8.280 nan 0.000 0.513 197 P HA -0.191 nan 4.420 nan 0.000 0.215 197 P C 1.409 178.657 177.300 -0.086 0.000 1.153 197 P CA 1.511 64.550 63.100 -0.102 0.000 0.853 197 P CB -0.057 31.586 31.700 -0.096 0.000 0.788 198 L N -0.970 120.214 121.223 -0.066 0.000 2.083 198 L HA -0.205 4.135 4.340 -0.001 0.000 0.209 198 L C 2.642 179.490 176.870 -0.037 0.000 1.083 198 L CA 1.548 56.358 54.840 -0.051 0.000 0.752 198 L CB -0.864 41.169 42.059 -0.043 0.000 0.899 198 L HN 0.022 nan 8.230 nan 0.000 0.433 199 Q N -0.245 119.540 119.800 -0.025 0.000 2.084 199 Q HA -0.187 4.153 4.340 -0.001 0.000 0.202 199 Q C 2.336 178.320 176.000 -0.026 0.000 0.978 199 Q CA 1.297 57.104 55.803 0.007 0.000 0.844 199 Q CB -0.116 28.661 28.738 0.065 0.000 0.898 199 Q HN 0.518 nan 8.270 nan 0.000 0.426 200 L N -0.034 121.129 121.223 -0.099 0.000 2.109 200 L HA -0.088 4.251 4.340 -0.001 0.000 0.207 200 L C 2.497 179.293 176.870 -0.123 0.000 1.086 200 L CA 0.672 55.415 54.840 -0.163 0.000 0.760 200 L CB -0.527 41.349 42.059 -0.306 0.000 0.910 200 L HN 0.187 nan 8.230 nan 0.000 0.437 201 A N -0.328 122.429 122.820 -0.106 0.000 1.908 201 A HA -0.203 4.117 4.320 -0.001 0.000 0.218 201 A C 2.258 179.792 177.584 -0.084 0.000 1.181 201 A CA 1.493 53.472 52.037 -0.097 0.000 0.627 201 A CB -0.324 18.626 19.000 -0.083 0.000 0.818 201 A HN 0.327 nan 8.150 nan 0.000 0.445 202 E N -0.634 119.540 120.200 -0.044 0.000 2.072 202 E HA -0.153 4.197 4.350 -0.001 0.000 0.191 202 E C 2.009 178.633 176.600 0.040 0.000 0.985 202 E CA 1.099 57.496 56.400 -0.004 0.000 0.801 202 E CB -0.428 29.316 29.700 0.073 0.000 0.750 202 E HN 0.485 nan 8.360 nan 0.000 0.452 203 L N 1.140 122.391 121.223 0.048 0.000 2.013 203 L HA -0.194 4.146 4.340 -0.001 0.000 0.212 203 L C 2.383 179.266 176.870 0.021 0.000 1.073 203 L CA 1.374 56.256 54.840 0.071 0.000 0.753 203 L CB -0.745 41.328 42.059 0.024 0.000 0.890 203 L HN 0.132 nan 8.230 nan 0.000 0.432 204 L N -0.295 120.895 121.223 -0.054 0.000 2.131 204 L HA -0.211 4.129 4.340 -0.001 0.000 0.210 204 L C 2.526 179.365 176.870 -0.052 0.000 1.092 204 L CA 1.892 56.688 54.840 -0.072 0.000 0.759 204 L CB -0.830 41.147 42.059 -0.138 0.000 0.903 204 L HN 0.376 nan 8.230 nan 0.000 0.435 205 K N -1.291 119.008 120.400 -0.168 0.000 2.103 205 K HA -0.215 4.105 4.320 -0.001 0.000 0.207 205 K C 1.072 177.406 176.600 -0.444 0.000 1.048 205 K CA 1.928 57.994 56.287 -0.367 0.000 0.930 205 K CB -0.248 31.866 32.500 -0.643 0.000 0.716 205 K HN 0.496 nan 8.250 nan 0.000 0.444 206 Y N -0.002 120.332 120.300 0.057 0.000 2.607 206 Y HA 0.169 4.719 4.550 -0.000 0.000 0.266 206 Y C -0.261 175.699 175.900 0.099 0.000 1.178 206 Y CA -0.584 57.559 58.100 0.072 0.000 1.226 206 Y CB 1.046 39.545 38.460 0.066 0.000 1.144 206 Y HN -0.176 nan 8.280 nan 0.000 0.528 207 T N 1.521 116.185 114.554 0.183 0.000 2.756 207 T HA 0.588 4.938 4.350 -0.001 0.000 0.290 207 T C 0.322 175.141 174.700 0.199 0.000 0.985 207 T CA -0.692 61.517 62.100 0.182 0.000 0.955 207 T CB 0.887 69.827 68.868 0.119 0.000 0.930 207 T HN 0.306 nan 8.240 nan 0.000 0.451 208 A N 2.993 125.916 122.820 0.172 0.000 2.425 208 A HA 0.183 4.503 4.320 -0.001 0.000 0.242 208 A C 1.412 178.902 177.584 -0.156 0.000 1.077 208 A CA -0.236 51.820 52.037 0.031 0.000 0.781 208 A CB 0.247 19.288 19.000 0.067 0.000 1.020 208 A HN 0.913 nan 8.150 nan 0.000 0.494 209 Q N -0.049 119.496 119.800 -0.425 0.000 2.291 209 Q HA -0.159 4.180 4.340 -0.001 0.000 0.205 209 Q C 0.557 176.357 176.000 -0.334 0.000 0.970 209 Q CA 1.496 56.810 55.803 -0.815 0.000 0.876 209 Q CB -0.026 28.313 28.738 -0.665 0.000 0.935 209 Q HN 0.955 nan 8.270 nan 0.000 0.455 210 D N -1.452 118.868 120.400 -0.133 0.000 2.340 210 D HA -0.095 4.544 4.640 -0.001 0.000 0.220 210 D C 0.513 176.851 176.300 0.062 0.000 1.039 210 D CA 0.023 54.003 54.000 -0.033 0.000 0.866 210 D CB -0.315 40.466 40.800 -0.032 0.000 0.913 210 D HN 0.065 nan 8.370 nan 0.000 0.523 211 H N 1.430 120.498 119.070 -0.002 0.000 2.897 211 H HA 0.036 4.591 4.556 -0.001 0.000 0.347 211 H C 1.460 176.838 175.328 0.084 0.000 1.068 211 H CA 0.896 56.973 56.048 0.049 0.000 1.426 211 H CB 1.444 31.255 29.762 0.083 0.000 1.410 211 H HN 0.081 nan 8.280 nan 0.000 0.597 212 S N 2.163 118.088 115.700 0.375 0.000 2.447 212 S HA -0.156 4.314 4.470 -0.001 0.000 0.233 212 S C 1.443 176.272 174.600 0.383 0.000 1.006 212 S CA 1.234 59.611 58.200 0.296 0.000 0.957 212 S CB 0.153 63.480 63.200 0.212 0.000 0.773 212 S HN 0.651 nan 8.310 nan 0.000 0.507 213 D N 0.022 120.683 120.400 0.436 0.000 2.317 213 D HA 0.008 4.647 4.640 -0.001 0.000 0.211 213 D C 1.393 177.784 176.300 0.152 0.000 0.966 213 D CA 0.217 54.365 54.000 0.247 0.000 0.876 213 D CB -0.393 40.379 40.800 -0.047 0.000 0.927 213 D HN 0.508 nan 8.370 nan 0.000 0.519 214 Y N 2.363 122.660 120.300 -0.005 0.000 2.040 214 Y HA -0.325 4.224 4.550 -0.001 0.000 0.275 214 Y C 2.305 178.156 175.900 -0.082 0.000 1.171 214 Y CA 2.788 60.858 58.100 -0.049 0.000 1.123 214 Y CB -0.232 38.216 38.460 -0.021 0.000 0.963 214 Y HN 0.011 nan 8.280 nan 0.000 0.493 215 R N -1.460 118.988 120.500 -0.087 0.000 2.152 215 R HA -0.206 4.134 4.340 -0.001 0.000 0.232 215 R C 1.815 177.924 176.300 -0.319 0.000 1.117 215 R CA 1.984 57.918 56.100 -0.277 0.000 0.981 215 R CB -1.299 28.795 30.300 -0.343 0.000 0.870 215 R HN 0.483 nan 8.270 nan 0.000 0.451 216 Y N 0.777 121.057 120.300 -0.033 0.000 2.337 216 Y HA -0.017 4.533 4.550 -0.000 0.000 0.293 216 Y C 2.477 178.333 175.900 -0.074 0.000 1.123 216 Y CA 0.450 58.536 58.100 -0.023 0.000 1.201 216 Y CB 0.233 38.709 38.460 0.027 0.000 1.011 216 Y HN -0.153 nan 8.280 nan 0.000 0.545 217 V N -0.313 119.601 119.914 -0.001 0.000 2.407 217 V HA -0.240 3.879 4.120 -0.001 0.000 0.245 217 V C 2.482 178.462 176.094 -0.191 0.000 1.041 217 V CA 1.506 63.745 62.300 -0.103 0.000 1.040 217 V CB -1.093 30.652 31.823 -0.129 0.000 0.671 217 V HN 0.433 nan 8.190 nan 0.000 0.455 218 A N 0.314 122.958 122.820 -0.292 0.000 1.908 218 A HA -0.171 4.149 4.320 -0.001 0.000 0.218 218 A C 2.421 179.900 177.584 -0.174 0.000 1.181 218 A CA 2.294 54.154 52.037 -0.294 0.000 0.627 218 A CB -0.802 17.939 19.000 -0.432 0.000 0.818 218 A HN 0.562 nan 8.150 nan 0.000 0.445 219 A N -0.283 122.463 122.820 -0.123 0.000 1.898 219 A HA 0.191 4.510 4.320 -0.001 0.000 0.216 219 A C 2.521 180.075 177.584 -0.050 0.000 1.181 219 A CA 2.065 54.068 52.037 -0.057 0.000 0.620 219 A CB -1.041 17.960 19.000 0.002 0.000 0.819 219 A HN 1.080 nan 8.150 nan 0.000 0.442 220 A N -0.385 122.403 122.820 -0.053 0.000 1.902 220 A HA -0.048 4.272 4.320 -0.001 0.000 0.217 220 A C 2.131 179.596 177.584 -0.200 0.000 1.181 220 A CA 1.749 53.727 52.037 -0.100 0.000 0.623 220 A CB -0.661 18.262 19.000 -0.127 0.000 0.818 220 A HN 0.762 nan 8.150 nan 0.000 0.443 221 L N -0.105 120.994 121.223 -0.207 0.000 2.012 221 L HA -0.122 4.218 4.340 -0.001 0.000 0.210 221 L C 2.619 179.400 176.870 -0.148 0.000 1.073 221 L CA 2.394 57.114 54.840 -0.200 0.000 0.748 221 L CB -0.840 41.112 42.059 -0.178 0.000 0.891 221 L HN 0.339 nan 8.230 nan 0.000 0.431 222 A N -1.144 121.608 122.820 -0.114 0.000 1.902 222 A HA -0.132 4.188 4.320 -0.001 0.000 0.217 222 A C 2.259 179.800 177.584 -0.071 0.000 1.181 222 A CA 1.969 53.958 52.037 -0.080 0.000 0.623 222 A CB -1.137 17.828 19.000 -0.058 0.000 0.818 222 A HN 0.322 nan 8.150 nan 0.000 0.443 223 V N 0.065 119.935 119.914 -0.073 0.000 2.295 223 V HA -0.291 3.829 4.120 -0.001 0.000 0.246 223 V C 2.652 178.659 176.094 -0.145 0.000 1.049 223 V CA 2.095 64.354 62.300 -0.069 0.000 1.024 223 V CB -0.649 31.150 31.823 -0.040 0.000 0.648 223 V HN 0.520 nan 8.190 nan 0.000 0.447 224 M N -0.852 118.622 119.600 -0.210 0.000 2.288 224 M HA -0.013 4.466 4.480 -0.001 0.000 0.266 224 M C 2.258 178.437 176.300 -0.202 0.000 1.072 224 M CA 1.267 56.392 55.300 -0.292 0.000 1.132 224 M CB -1.136 31.242 32.600 -0.369 0.000 1.386 224 M HN 0.307 nan 8.290 nan 0.000 0.432 225 R N 0.531 120.946 120.500 -0.142 0.000 2.083 225 R HA -0.187 4.153 4.340 -0.001 0.000 0.237 225 R C 1.997 178.262 176.300 -0.059 0.000 1.137 225 R CA 1.862 57.906 56.100 -0.094 0.000 0.951 225 R CB -0.720 29.535 30.300 -0.075 0.000 0.851 225 R HN 0.410 nan 8.270 nan 0.000 0.434 226 N N 0.593 119.269 118.700 -0.040 0.000 2.104 226 N HA -0.146 4.594 4.740 -0.001 0.000 0.190 226 N C 1.684 177.238 175.510 0.073 0.000 1.024 226 N CA 1.234 54.300 53.050 0.027 0.000 0.853 226 N CB -0.066 38.454 38.487 0.056 0.000 1.008 226 N HN -0.058 nan 8.380 nan 0.000 0.424 227 V N 0.047 119.930 119.914 -0.051 0.000 2.252 227 V HA -0.297 3.822 4.120 -0.001 0.000 0.249 227 V C 2.185 178.286 176.094 0.012 0.000 1.056 227 V CA 2.340 64.550 62.300 -0.151 0.000 1.022 227 V CB -1.132 30.384 31.823 -0.512 0.000 0.641 227 V HN 0.499 nan 8.190 nan 0.000 0.445 228 T N -0.885 113.640 114.554 -0.048 0.000 2.777 228 T HA -0.232 4.117 4.350 -0.001 0.000 0.266 228 T C 1.912 176.630 174.700 0.030 0.000 1.040 228 T CA 1.552 63.644 62.100 -0.012 0.000 1.141 228 T CB -0.258 68.581 68.868 -0.049 0.000 0.868 228 T HN 0.548 nan 8.240 nan 0.000 0.444 229 Q N 0.431 120.247 119.800 0.027 0.000 2.084 229 Q HA -0.116 4.223 4.340 -0.001 0.000 0.202 229 Q C 2.661 178.689 176.000 0.047 0.000 0.978 229 Q CA 1.047 56.865 55.803 0.026 0.000 0.844 229 Q CB -0.084 28.662 28.738 0.014 0.000 0.898 229 Q HN 0.361 nan 8.270 nan 0.000 0.426 230 Q N 0.207 120.071 119.800 0.107 0.000 2.123 230 Q HA -0.045 4.295 4.340 -0.001 0.000 0.199 230 Q C 2.070 178.119 176.000 0.082 0.000 0.966 230 Q CA 1.030 56.892 55.803 0.099 0.000 0.845 230 Q CB -0.062 28.800 28.738 0.205 0.000 0.907 230 Q HN 0.459 nan 8.270 nan 0.000 0.439 231 I N 1.263 121.936 120.570 0.171 0.000 2.286 231 I HA -0.257 3.912 4.170 -0.001 0.000 0.248 231 I C 2.350 178.504 176.117 0.060 0.000 1.115 231 I CA 0.904 62.288 61.300 0.141 0.000 1.392 231 I CB -0.317 37.800 38.000 0.195 0.000 1.065 231 I HN 0.293 nan 8.210 nan 0.000 0.418 232 N N 0.755 119.482 118.700 0.046 0.000 2.120 232 N HA -0.215 4.524 4.740 -0.001 0.000 0.188 232 N C 1.738 177.242 175.510 -0.010 0.000 1.024 232 N CA 1.355 54.419 53.050 0.023 0.000 0.852 232 N CB 0.149 38.646 38.487 0.016 0.000 1.003 232 N HN 0.201 nan 8.380 nan 0.000 0.424 233 E N 0.753 120.933 120.200 -0.033 0.000 2.110 233 E HA -0.079 4.271 4.350 -0.001 0.000 0.193 233 E C 1.971 178.488 176.600 -0.138 0.000 0.988 233 E CA 0.766 57.123 56.400 -0.072 0.000 0.804 233 E CB -0.138 29.518 29.700 -0.073 0.000 0.745 233 E HN 0.255 nan 8.360 nan 0.000 0.458 234 R N 0.276 120.649 120.500 -0.211 0.000 2.115 234 R HA -0.003 4.337 4.340 -0.001 0.000 0.226 234 R C 2.148 178.355 176.300 -0.155 0.000 1.100 234 R CA 0.927 56.774 56.100 -0.423 0.000 0.980 234 R CB -0.438 29.468 30.300 -0.656 0.000 0.875 234 R HN 0.158 nan 8.270 nan 0.000 0.445 235 K N 0.922 121.304 120.400 -0.030 0.000 2.097 235 K HA -0.120 4.200 4.320 -0.001 0.000 0.205 235 K C 2.136 178.755 176.600 0.031 0.000 1.050 235 K CA 1.302 57.615 56.287 0.043 0.000 0.938 235 K CB 0.023 32.558 32.500 0.060 0.000 0.718 235 K HN -0.031 nan 8.250 nan 0.000 0.442 236 R N 0.301 120.801 120.500 0.001 0.000 2.096 236 R HA -0.122 4.218 4.340 -0.001 0.000 0.235 236 R C 2.308 178.619 176.300 0.018 0.000 1.127 236 R CA 1.544 57.648 56.100 0.006 0.000 0.968 236 R CB -0.098 30.195 30.300 -0.011 0.000 0.861 236 R HN 0.097 nan 8.270 nan 0.000 0.440 237 R N 0.152 120.656 120.500 0.005 0.000 2.073 237 R HA -0.139 4.200 4.340 -0.001 0.000 0.234 237 R C 2.302 178.679 176.300 0.129 0.000 1.134 237 R CA 1.590 57.721 56.100 0.053 0.000 0.952 237 R CB -0.423 29.884 30.300 0.010 0.000 0.850 237 R HN 0.237 nan 8.270 nan 0.000 0.433 238 L N 1.321 122.649 121.223 0.175 0.000 2.046 238 L HA -0.148 4.192 4.340 -0.001 0.000 0.208 238 L C 1.433 178.363 176.870 0.099 0.000 1.077 238 L CA 1.920 56.869 54.840 0.181 0.000 0.747 238 L CB -0.322 41.862 42.059 0.209 0.000 0.896 238 L HN 0.211 nan 8.230 nan 0.000 0.432 239 E N -0.667 119.577 120.200 0.073 0.000 2.409 239 E HA -0.125 4.224 4.350 -0.001 0.000 0.198 239 E C 1.063 177.687 176.600 0.040 0.000 1.024 239 E CA 0.685 57.113 56.400 0.046 0.000 0.861 239 E CB -0.110 29.611 29.700 0.034 0.000 0.788 239 E HN 0.575 nan 8.360 nan 0.000 0.521 240 N N 0.722 119.451 118.700 0.050 0.000 2.236 240 N HA 0.046 4.786 4.740 -0.001 0.000 0.196 240 N C 1.648 177.191 175.510 0.055 0.000 1.114 240 N CA 0.137 53.215 53.050 0.046 0.000 0.859 240 N CB 0.505 39.017 38.487 0.042 0.000 0.982 240 N HN 0.336 nan 8.380 nan 0.000 0.493 241 I N -0.961 119.644 120.570 0.059 0.000 2.756 241 I HA -0.118 4.052 4.170 -0.001 0.000 0.262 241 I C 1.248 177.387 176.117 0.037 0.000 1.225 241 I CA 0.932 62.266 61.300 0.056 0.000 1.472 241 I CB -0.238 37.793 38.000 0.053 0.000 1.094 241 I HN -0.188 nan 8.210 nan 0.000 0.454 242 D N 2.481 122.898 120.400 0.028 0.000 2.133 242 D HA -0.220 4.420 4.640 -0.001 0.000 0.195 242 D C 1.733 178.050 176.300 0.030 0.000 0.997 242 D CA 1.283 55.293 54.000 0.016 0.000 0.840 242 D CB -0.550 40.257 40.800 0.011 0.000 0.947 242 D HN 0.414 nan 8.370 nan 0.000 0.452 243 K N 0.776 121.205 120.400 0.049 0.000 2.097 243 K HA -0.044 4.275 4.320 -0.001 0.000 0.206 243 K C 2.529 179.203 176.600 0.123 0.000 1.049 243 K CA 0.345 56.677 56.287 0.075 0.000 0.933 243 K CB -0.542 32.000 32.500 0.070 0.000 0.717 243 K HN 0.343 nan 8.250 nan 0.000 0.442 244 I N 1.241 121.879 120.570 0.113 0.000 2.179 244 I HA -0.273 3.897 4.170 -0.001 0.000 0.242 244 I C 2.497 178.677 176.117 0.105 0.000 1.088 244 I CA 1.315 62.703 61.300 0.148 0.000 1.357 244 I CB -0.430 37.621 38.000 0.086 0.000 1.051 244 I HN 0.066 nan 8.210 nan 0.000 0.409 245 A N 0.007 122.835 122.820 0.013 0.000 1.902 245 A HA -0.268 4.052 4.320 -0.001 0.000 0.217 245 A C 2.246 179.784 177.584 -0.077 0.000 1.181 245 A CA 1.662 53.658 52.037 -0.069 0.000 0.623 245 A CB -0.620 18.334 19.000 -0.077 0.000 0.818 245 A HN 0.454 nan 8.150 nan 0.000 0.443 246 Q N -2.043 117.749 119.800 -0.013 0.000 2.124 246 Q HA -0.212 4.127 4.340 -0.001 0.000 0.202 246 Q C 1.835 177.828 176.000 -0.013 0.000 0.977 246 Q CA 1.748 57.537 55.803 -0.022 0.000 0.850 246 Q CB -0.277 28.471 28.738 0.016 0.000 0.901 246 Q HN 0.886 nan 8.270 nan 0.000 0.429 247 W N 1.495 122.735 121.300 -0.101 0.000 2.354 247 W HA -0.242 4.418 4.660 -0.000 0.000 0.315 247 W C 2.209 178.616 176.519 -0.186 0.000 1.206 247 W CA 1.827 59.110 57.345 -0.103 0.000 1.290 247 W CB -0.327 29.106 29.460 -0.046 0.000 1.152 247 W HN 0.127 nan 8.180 nan 0.000 0.489 248 Q N 0.066 119.718 119.800 -0.246 0.000 2.096 248 Q HA -0.284 4.056 4.340 -0.001 0.000 0.208 248 Q C 2.235 177.791 176.000 -0.740 0.000 0.993 248 Q CA 2.441 57.773 55.803 -0.785 0.000 0.862 248 Q CB -0.635 27.623 28.738 -0.799 0.000 0.915 248 Q HN 0.371 nan 8.270 nan 0.000 0.416 249 A N 0.174 122.714 122.820 -0.467 0.000 2.067 249 A HA -0.124 4.196 4.320 -0.001 0.000 0.219 249 A C 2.055 179.462 177.584 -0.295 0.000 1.158 249 A CA 1.517 53.348 52.037 -0.343 0.000 0.661 249 A CB -0.455 18.407 19.000 -0.230 0.000 0.801 249 A HN 0.553 nan 8.150 nan 0.000 0.452 250 S N -0.886 114.605 115.700 -0.347 0.000 2.489 250 S HA 0.106 4.576 4.470 -0.001 0.000 0.228 250 S C 0.492 174.888 174.600 -0.340 0.000 0.995 250 S CA 0.382 58.403 58.200 -0.299 0.000 0.934 250 S CB -0.516 62.523 63.200 -0.268 0.000 0.771 250 S HN 0.112 nan 8.310 nan 0.000 0.522 251 V N 3.373 123.025 119.914 -0.437 0.000 2.461 251 V HA 0.333 4.452 4.120 -0.001 0.000 0.275 251 V C 0.297 176.325 176.094 -0.111 0.000 1.047 251 V CA -0.662 61.453 62.300 -0.308 0.000 0.955 251 V CB 1.007 32.628 31.823 -0.336 0.000 0.988 251 V HN 0.443 nan 8.190 nan 0.000 0.471 252 L N 4.230 125.389 121.223 -0.108 0.000 2.436 252 L HA 0.344 4.683 4.340 -0.001 0.000 0.265 252 L C 0.794 177.761 176.870 0.162 0.000 1.168 252 L CA -0.319 54.512 54.840 -0.015 0.000 0.815 252 L CB 0.177 42.151 42.059 -0.141 0.000 1.109 252 L HN 0.682 nan 8.230 nan 0.000 0.462 253 D N -0.074 120.423 120.400 0.162 0.000 2.772 253 D HA -0.235 4.405 4.640 -0.001 0.000 0.233 253 D C -0.146 176.232 176.300 0.130 0.000 1.143 253 D CA 0.671 54.768 54.000 0.162 0.000 0.700 253 D CB -0.635 40.290 40.800 0.207 0.000 1.076 253 D HN 0.522 nan 8.370 nan 0.000 0.430 254 W N 1.124 122.355 121.300 -0.115 0.000 2.314 254 W HA 0.076 4.736 4.660 -0.001 0.000 0.339 254 W C 0.477 176.756 176.519 -0.400 0.000 1.293 254 W CA 0.870 57.999 57.345 -0.360 0.000 1.288 254 W CB 0.449 29.712 29.460 -0.329 0.000 1.186 254 W HN 0.061 nan 8.180 nan 0.000 0.566 255 E N 2.658 122.125 120.200 -1.222 0.000 2.393 255 E HA 0.561 4.911 4.350 -0.001 0.000 0.273 255 E C 0.061 176.209 176.600 -0.753 0.000 0.918 255 E CA -0.482 55.546 56.400 -0.620 0.000 0.773 255 E CB 1.762 31.283 29.700 -0.297 0.000 1.275 255 E HN 0.670 nan 8.360 nan 0.000 0.451 256 G N 1.638 110.296 108.800 -0.236 0.000 2.725 256 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.220 256 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.220 256 G C -0.786 174.169 174.900 0.092 0.000 1.357 256 G CA -0.540 44.508 45.100 -0.086 0.000 0.866 256 G HN 0.536 nan 8.290 nan 0.000 0.548 257 D N 0.954 121.430 120.400 0.127 0.000 2.361 257 D HA 0.350 4.989 4.640 -0.001 0.000 0.239 257 D C 0.747 177.219 176.300 0.287 0.000 1.200 257 D CA 0.017 54.113 54.000 0.160 0.000 0.915 257 D CB 0.255 41.114 40.800 0.099 0.000 1.170 257 D HN 0.395 nan 8.370 nan 0.000 0.444 258 D N 0.673 121.141 120.400 0.114 0.000 2.423 258 D HA -0.040 4.600 4.640 -0.001 0.000 0.238 258 D C 1.591 177.914 176.300 0.039 0.000 1.142 258 D CA -0.275 53.716 54.000 -0.015 0.000 0.884 258 D CB 0.857 41.598 40.800 -0.098 0.000 1.199 258 D HN 0.165 nan 8.370 nan 0.000 0.438 259 I N 1.284 121.837 120.570 -0.028 0.000 2.361 259 I HA -0.203 3.967 4.170 -0.001 0.000 0.251 259 I C 2.177 178.223 176.117 -0.119 0.000 1.133 259 I CA 0.870 62.115 61.300 -0.093 0.000 1.413 259 I CB -0.448 37.359 38.000 -0.321 0.000 1.073 259 I HN 0.368 nan 8.210 nan 0.000 0.424 260 L N -0.017 121.147 121.223 -0.099 0.000 2.551 260 L HA -0.124 4.215 4.340 -0.001 0.000 0.228 260 L C 1.936 178.783 176.870 -0.039 0.000 1.153 260 L CA 0.520 55.322 54.840 -0.064 0.000 0.851 260 L CB -0.461 41.564 42.059 -0.058 0.000 0.959 260 L HN 0.221 nan 8.230 nan 0.000 0.451 261 D N 0.341 120.724 120.400 -0.029 0.000 2.218 261 D HA -0.125 4.514 4.640 -0.001 0.000 0.204 261 D C 2.010 178.296 176.300 -0.023 0.000 0.976 261 D CA 1.079 55.067 54.000 -0.020 0.000 0.853 261 D CB 0.307 41.105 40.800 -0.003 0.000 0.939 261 D HN 0.373 nan 8.370 nan 0.000 0.481 262 R N -0.681 119.816 120.500 -0.006 0.000 2.507 262 R HA 0.190 4.530 4.340 -0.001 0.000 0.230 262 R C 0.327 176.687 176.300 0.101 0.000 0.897 262 R CA 0.041 56.139 56.100 -0.004 0.000 1.006 262 R CB 1.230 31.533 30.300 0.004 0.000 1.341 262 R HN -0.106 nan 8.270 nan 0.000 0.604 263 S N -0.119 115.632 115.700 0.086 0.000 2.638 263 S HA 0.308 4.778 4.470 -0.001 0.000 0.302 263 S C 0.452 175.117 174.600 0.107 0.000 1.096 263 S CA -0.621 57.668 58.200 0.148 0.000 0.953 263 S CB 2.079 65.320 63.200 0.068 0.000 1.107 263 S HN 0.217 nan 8.310 nan 0.000 0.503 264 S N -0.693 115.114 115.700 0.180 0.000 2.820 264 S HA 0.322 4.791 4.470 -0.001 0.000 0.265 264 S C -0.326 174.396 174.600 0.203 0.000 1.043 264 S CA -0.377 57.930 58.200 0.178 0.000 1.245 264 S CB 0.078 63.417 63.200 0.232 0.000 1.187 264 S HN 0.690 nan 8.310 nan 0.000 0.673 265 E N 1.035 121.384 120.200 0.249 0.000 2.291 265 E HA 0.424 4.774 4.350 -0.001 0.000 0.276 265 E C -1.406 175.335 176.600 0.234 0.000 0.896 265 E CA -0.684 55.836 56.400 0.199 0.000 0.774 265 E CB 1.415 31.182 29.700 0.110 0.000 1.227 265 E HN 0.285 nan 8.360 nan 0.000 0.413 266 L N 7.320 128.601 121.223 0.098 0.000 2.456 266 L HA 0.213 4.553 4.340 -0.001 0.000 0.277 266 L C 0.518 177.269 176.870 -0.197 0.000 1.124 266 L CA 0.175 54.848 54.840 -0.279 0.000 0.880 266 L CB 0.313 42.141 42.059 -0.386 0.000 1.192 266 L HN 0.895 nan 8.230 nan 0.000 0.463 267 I N 5.579 126.030 120.570 -0.199 0.000 2.339 267 I HA -0.070 4.100 4.170 -0.001 0.000 0.245 267 I C -0.072 175.967 176.117 -0.131 0.000 1.096 267 I CA 0.698 61.917 61.300 -0.135 0.000 1.408 267 I CB 0.083 38.021 38.000 -0.103 0.000 1.092 267 I HN 0.512 nan 8.210 nan 0.000 0.423 268 Y N -0.185 119.871 120.300 -0.407 0.000 2.641 268 Y HA 0.376 4.926 4.550 -0.001 0.000 0.333 268 Y C -1.186 174.388 175.900 -0.542 0.000 1.174 268 Y CA -1.040 56.738 58.100 -0.537 0.000 1.057 268 Y CB 1.801 39.799 38.460 -0.769 0.000 1.322 268 Y HN -0.213 nan 8.280 nan 0.000 0.457 269 T N 1.954 115.722 114.554 -1.309 0.000 2.900 269 T HA 0.869 5.218 4.350 -0.001 0.000 0.303 269 T C -0.741 173.327 174.700 -1.054 0.000 1.142 269 T CA -0.363 61.143 62.100 -0.989 0.000 1.007 269 T CB 1.923 70.246 68.868 -0.908 0.000 1.156 269 T HN 1.142 nan 8.240 nan 0.000 0.490 270 G N 0.651 109.213 108.800 -0.396 0.000 2.356 270 G HA2 0.530 4.490 3.960 -0.001 0.000 0.294 270 G HA3 0.530 4.490 3.960 -0.001 0.000 0.294 270 G C -2.085 172.930 174.900 0.191 0.000 1.423 270 G CA -0.844 44.201 45.100 -0.093 0.000 0.806 270 G HN 0.652 nan 8.290 nan 0.000 0.527 271 E N -0.170 120.133 120.200 0.171 0.000 2.231 271 E HA 0.711 5.061 4.350 -0.001 0.000 0.277 271 E C -0.096 176.644 176.600 0.233 0.000 0.999 271 E CA -0.170 56.337 56.400 0.178 0.000 0.827 271 E CB 1.620 31.377 29.700 0.095 0.000 1.101 271 E HN 0.408 nan 8.360 nan 0.000 0.393 272 M N 1.074 120.811 119.600 0.228 0.000 2.644 272 M HA 0.496 4.976 4.480 -0.001 0.000 0.273 272 M C -1.366 174.952 176.300 0.030 0.000 1.253 272 M CA -0.863 54.480 55.300 0.072 0.000 0.852 272 M CB 2.158 34.696 32.600 -0.102 0.000 1.708 272 M HN 0.561 nan 8.290 nan 0.000 0.471 273 A N 1.524 124.171 122.820 -0.289 0.000 2.304 273 A HA 0.835 5.155 4.320 -0.001 0.000 0.301 273 A C -1.495 175.746 177.584 -0.571 0.000 1.132 273 A CA -0.327 51.418 52.037 -0.488 0.000 0.819 273 A CB 0.607 19.035 19.000 -0.954 0.000 1.094 273 A HN 0.808 nan 8.150 nan 0.000 0.492 274 W N 0.643 121.626 121.300 -0.529 0.000 3.042 274 W HA 0.721 5.381 4.660 -0.001 0.000 0.342 274 W C -2.378 173.985 176.519 -0.259 0.000 1.240 274 W CA -1.765 55.242 57.345 -0.564 0.000 1.166 274 W CB 0.412 29.424 29.460 -0.747 0.000 1.469 274 W HN 0.473 nan 8.180 nan 0.000 0.579 275 I N 3.106 123.342 120.570 -0.557 0.000 2.497 275 I HA 0.076 4.245 4.170 -0.001 0.000 0.284 275 I C 0.493 176.269 176.117 -0.568 0.000 1.060 275 I CA -0.884 60.135 61.300 -0.469 0.000 1.071 275 I CB 1.938 39.898 38.000 -0.066 0.000 1.216 275 I HN 0.564 nan 8.210 nan 0.000 0.442 276 Y N 6.771 126.456 120.300 -1.025 0.000 2.165 276 Y HA -0.185 4.364 4.550 -0.001 0.000 0.286 276 Y C 0.814 176.690 175.900 -0.041 0.000 1.155 276 Y CA 1.532 59.133 58.100 -0.832 0.000 1.164 276 Y CB 0.255 38.254 38.460 -0.769 0.000 0.978 276 Y HN 0.644 nan 8.280 nan 0.000 0.513 277 Q N -1.095 118.607 119.800 -0.163 0.000 2.482 277 Q HA 0.464 4.803 4.340 -0.001 0.000 0.286 277 Q C -3.052 172.733 176.000 -0.359 0.000 1.007 277 Q CA -2.639 53.002 55.803 -0.269 0.000 0.801 277 Q CB 2.097 30.573 28.738 -0.436 0.000 1.455 277 Q HN -0.170 nan 8.270 nan 0.000 0.398 278 P HA -0.101 nan 4.420 nan 0.000 0.263 278 P C -1.057 175.763 177.300 -0.800 0.000 1.175 278 P CA 0.909 63.252 63.100 -1.262 0.000 0.761 278 P CB -0.199 30.540 31.700 -1.602 0.000 0.794 279 Y N -1.485 118.736 120.300 -0.132 0.000 4.841 279 Y HA -0.254 4.296 4.550 -0.001 0.000 0.242 279 Y C 1.211 177.092 175.900 -0.031 0.000 1.002 279 Y CA 0.091 58.154 58.100 -0.062 0.000 2.011 279 Y CB -2.176 36.236 38.460 -0.079 0.000 1.554 279 Y HN 0.535 nan 8.280 nan 0.000 0.618 280 G N 0.242 109.073 108.800 0.052 0.000 2.531 280 G HA2 0.677 4.636 3.960 -0.001 0.000 0.313 280 G HA3 0.677 4.636 3.960 -0.001 0.000 0.313 280 G C -0.406 174.515 174.900 0.035 0.000 1.238 280 G CA -0.929 44.193 45.100 0.036 0.000 0.994 280 G HN 0.007 nan 8.290 nan 0.000 0.493 281 R N 0.087 120.591 120.500 0.006 0.000 2.357 281 R HA 0.149 4.489 4.340 -0.001 0.000 0.296 281 R C 0.258 176.550 176.300 -0.013 0.000 1.052 281 R CA -0.490 55.617 56.100 0.011 0.000 0.988 281 R CB 0.948 31.250 30.300 0.003 0.000 1.025 281 R HN 0.809 nan 8.270 nan 0.000 0.469 282 N N 1.369 120.093 118.700 0.040 0.000 2.525 282 N HA 0.035 4.774 4.740 -0.001 0.000 0.271 282 N C -0.840 174.695 175.510 0.043 0.000 1.194 282 N CA -0.202 52.881 53.050 0.054 0.000 0.964 282 N CB 1.099 39.726 38.487 0.234 0.000 1.126 282 N HN 0.204 nan 8.380 nan 0.000 0.452 283 Q N 1.107 120.937 119.800 0.050 0.000 2.372 283 Q HA 0.242 4.582 4.340 -0.001 0.000 0.273 283 Q C -1.026 175.072 176.000 0.163 0.000 1.078 283 Q CA -0.723 55.151 55.803 0.118 0.000 0.806 283 Q CB 2.097 30.931 28.738 0.161 0.000 1.332 283 Q HN 0.688 nan 8.270 nan 0.000 0.435 284 Q N 2.388 122.246 119.800 0.096 0.000 2.294 284 Q HA 0.405 4.745 4.340 -0.001 0.000 0.257 284 Q C -0.303 175.724 176.000 0.046 0.000 0.955 284 Q CA -0.103 55.742 55.803 0.070 0.000 0.936 284 Q CB 1.177 29.946 28.738 0.052 0.000 1.188 284 Q HN 0.248 nan 8.270 nan 0.000 0.420 285 R N 0.967 121.474 120.500 0.012 0.000 2.836 285 R HA 0.565 4.905 4.340 -0.001 0.000 0.269 285 R C -0.926 175.268 176.300 -0.177 0.000 1.010 285 R CA -0.950 55.033 56.100 -0.193 0.000 0.930 285 R CB 1.584 31.511 30.300 -0.622 0.000 1.218 285 R HN 0.299 nan 8.270 nan 0.000 0.473 286 V N 2.448 122.227 119.914 -0.224 0.000 2.394 286 V HA 0.458 4.578 4.120 -0.001 0.000 0.282 286 V C -0.432 175.467 176.094 -0.325 0.000 1.031 286 V CA -0.536 61.677 62.300 -0.145 0.000 0.881 286 V CB 0.698 32.519 31.823 -0.003 0.000 0.982 286 V HN 0.427 nan 8.190 nan 0.000 0.451 287 F N 4.216 124.078 119.950 -0.146 0.000 2.422 287 F HA 0.683 5.209 4.527 -0.001 0.000 0.333 287 F C -0.255 175.423 175.800 -0.203 0.000 1.095 287 F CA -0.671 57.297 58.000 -0.054 0.000 1.038 287 F CB 1.461 40.397 39.000 -0.107 0.000 1.156 287 F HN 0.300 nan 8.300 nan 0.000 0.483 288 F N 3.799 123.874 119.950 0.209 0.000 2.500 288 F HA 0.359 4.886 4.527 -0.000 0.000 0.349 288 F C -0.499 175.247 175.800 -0.090 0.000 1.127 288 F CA -0.573 57.377 58.000 -0.084 0.000 0.998 288 F CB 1.309 40.190 39.000 -0.200 0.000 1.237 288 F HN 0.227 nan 8.300 nan 0.000 0.439 289 L N 5.107 126.330 121.223 -0.000 0.000 2.265 289 L HA 0.531 4.871 4.340 -0.001 0.000 0.288 289 L C -1.303 175.462 176.870 -0.175 0.000 1.058 289 L CA -0.170 54.712 54.840 0.069 0.000 0.809 289 L CB 0.538 42.675 42.059 0.130 0.000 1.179 289 L HN 0.453 nan 8.230 nan 0.000 0.429 290 F N 1.944 121.978 119.950 0.140 0.000 2.541 290 F HA 0.294 4.821 4.527 -0.000 0.000 0.331 290 F C 0.319 176.174 175.800 0.092 0.000 1.057 290 F CA -0.919 57.139 58.000 0.097 0.000 0.975 290 F CB 0.904 39.974 39.000 0.118 0.000 1.246 290 F HN 0.520 nan 8.300 nan 0.000 0.484 291 D N 0.948 121.500 120.400 0.254 0.000 2.531 291 D HA -0.084 4.556 4.640 -0.001 0.000 0.239 291 D C 0.389 176.790 176.300 0.169 0.000 1.144 291 D CA 0.637 54.689 54.000 0.087 0.000 0.869 291 D CB 0.267 41.068 40.800 0.002 0.000 1.160 291 D HN 0.742 nan 8.370 nan 0.000 0.484 292 H N -0.210 118.981 119.070 0.202 0.000 4.291 292 H HA -0.205 4.351 4.556 -0.000 0.000 0.127 292 H C -0.019 175.440 175.328 0.219 0.000 0.703 292 H CA 1.679 57.839 56.048 0.186 0.000 1.250 292 H CB -1.056 28.793 29.762 0.145 0.000 0.705 292 H HN 0.874 nan 8.280 nan 0.000 0.553 293 Q N -0.233 119.789 119.800 0.369 0.000 2.472 293 Q HA 0.636 4.976 4.340 -0.001 0.000 0.281 293 Q C -1.149 175.103 176.000 0.420 0.000 0.997 293 Q CA -0.809 55.207 55.803 0.356 0.000 0.828 293 Q CB 2.639 31.568 28.738 0.319 0.000 1.443 293 Q HN 0.189 nan 8.270 nan 0.000 0.390 294 M N 2.803 122.622 119.600 0.365 0.000 2.125 294 M HA 0.468 4.947 4.480 -0.001 0.000 0.321 294 M C -1.698 174.812 176.300 0.349 0.000 0.983 294 M CA -0.767 54.763 55.300 0.382 0.000 0.934 294 M CB 1.832 34.628 32.600 0.327 0.000 1.542 294 M HN 0.625 nan 8.290 nan 0.000 0.424 295 V N 6.092 126.274 119.914 0.448 0.000 2.539 295 V HA 0.510 4.630 4.120 -0.001 0.000 0.292 295 V C -0.163 176.046 176.094 0.192 0.000 1.045 295 V CA -0.893 61.617 62.300 0.350 0.000 0.945 295 V CB 1.536 33.727 31.823 0.614 0.000 0.993 295 V HN 0.703 nan 8.190 nan 0.000 0.464 296 L N 2.210 123.344 121.223 -0.147 0.000 2.362 296 L HA 0.870 5.209 4.340 -0.001 0.000 0.271 296 L C -0.721 175.959 176.870 -0.317 0.000 1.002 296 L CA -0.336 54.248 54.840 -0.426 0.000 0.818 296 L CB 0.760 42.241 42.059 -0.964 0.000 1.298 296 L HN 0.634 nan 8.230 nan 0.000 0.420 297 C N 1.451 120.641 119.300 -0.184 0.000 2.994 297 C HA 0.648 5.108 4.460 -0.001 0.000 0.304 297 C C 0.067 175.027 174.990 -0.050 0.000 1.273 297 C CA -0.833 58.162 59.018 -0.039 0.000 1.537 297 C CB 2.670 30.521 27.740 0.184 0.000 2.001 297 C HN 0.958 nan 8.230 nan 0.000 0.471 298 K N 1.534 121.957 120.400 0.038 0.000 2.206 298 K HA 0.435 4.755 4.320 -0.001 0.000 0.264 298 K C -0.506 176.179 176.600 0.142 0.000 0.967 298 K CA -0.302 56.028 56.287 0.071 0.000 0.844 298 K CB 0.685 33.233 32.500 0.080 0.000 1.099 298 K HN 0.626 nan 8.250 nan 0.000 0.441 299 K N 2.368 122.832 120.400 0.107 0.000 2.258 299 K HA 0.004 4.323 4.320 -0.001 0.000 0.264 299 K C -0.461 176.222 176.600 0.138 0.000 1.007 299 K CA -0.184 56.165 56.287 0.104 0.000 0.941 299 K CB 0.652 33.199 32.500 0.078 0.000 0.966 299 K HN 0.637 nan 8.250 nan 0.000 0.480 300 D N 1.103 121.573 120.400 0.117 0.000 2.283 300 D HA 0.044 4.684 4.640 -0.001 0.000 0.248 300 D C 1.048 177.407 176.300 0.099 0.000 1.072 300 D CA -0.312 53.782 54.000 0.157 0.000 0.929 300 D CB 0.843 41.715 40.800 0.120 0.000 1.182 300 D HN 0.278 nan 8.370 nan 0.000 0.433 301 L N 2.517 123.797 121.223 0.095 0.000 2.005 301 L HA -0.104 4.235 4.340 -0.001 0.000 0.207 301 L C 1.803 178.704 176.870 0.051 0.000 1.072 301 L CA 1.141 56.019 54.840 0.063 0.000 0.744 301 L CB -0.318 41.773 42.059 0.053 0.000 0.895 301 L HN 0.647 nan 8.230 nan 0.000 0.433 302 I N -1.627 118.974 120.570 0.051 0.000 3.059 302 I HA -0.038 4.132 4.170 -0.001 0.000 0.270 302 I C 0.826 176.961 176.117 0.031 0.000 1.238 302 I CA 0.666 61.989 61.300 0.038 0.000 1.478 302 I CB -0.067 37.954 38.000 0.036 0.000 1.097 302 I HN 0.035 nan 8.210 nan 0.000 0.455 303 R N 1.162 121.681 120.500 0.031 0.000 2.539 303 R HA 0.263 4.602 4.340 -0.001 0.000 0.295 303 R C 0.817 177.128 176.300 0.018 0.000 1.138 303 R CA -0.525 55.587 56.100 0.020 0.000 0.936 303 R CB 1.583 31.889 30.300 0.010 0.000 1.182 303 R HN 0.034 nan 8.270 nan 0.000 0.459 304 R N 2.147 122.661 120.500 0.022 0.000 2.189 304 R HA -0.310 4.030 4.340 -0.001 0.000 0.252 304 R C 0.488 176.802 176.300 0.023 0.000 1.134 304 R CA 2.388 58.505 56.100 0.027 0.000 0.954 304 R CB -0.158 30.158 30.300 0.027 0.000 0.890 304 R HN 0.636 nan 8.270 nan 0.000 0.443 305 D N 0.489 120.895 120.400 0.011 0.000 2.347 305 D HA -0.215 4.424 4.640 -0.001 0.000 0.189 305 D C 0.661 176.948 176.300 -0.021 0.000 1.020 305 D CA 1.819 55.819 54.000 -0.001 0.000 0.875 305 D CB -0.248 40.543 40.800 -0.015 0.000 0.928 305 D HN 0.336 nan 8.370 nan 0.000 0.454 306 I N 1.141 121.679 120.570 -0.054 0.000 2.342 306 I HA 0.132 4.302 4.170 -0.001 0.000 0.291 306 I C 0.032 176.055 176.117 -0.158 0.000 1.010 306 I CA -0.253 60.959 61.300 -0.147 0.000 1.308 306 I CB 1.167 39.046 38.000 -0.201 0.000 1.400 306 I HN -0.170 nan 8.210 nan 0.000 0.488 307 L N 6.844 127.951 121.223 -0.192 0.000 2.334 307 L HA 0.498 4.838 4.340 -0.001 0.000 0.276 307 L C -1.127 175.600 176.870 -0.239 0.000 1.014 307 L CA -0.792 53.979 54.840 -0.115 0.000 0.815 307 L CB 1.266 43.331 42.059 0.010 0.000 1.268 307 L HN 0.417 nan 8.230 nan 0.000 0.428 308 Y N 0.830 121.143 120.300 0.023 0.000 2.335 308 Y HA 0.266 4.815 4.550 -0.001 0.000 0.338 308 Y C -0.109 175.805 175.900 0.023 0.000 0.977 308 Y CA -0.600 57.516 58.100 0.027 0.000 1.114 308 Y CB 1.438 39.904 38.460 0.009 0.000 1.182 308 Y HN 0.363 nan 8.280 nan 0.000 0.463 309 Y N 4.141 124.486 120.300 0.075 0.000 2.717 309 Y HA -0.011 4.538 4.550 -0.001 0.000 0.330 309 Y C 0.523 176.376 175.900 -0.078 0.000 1.217 309 Y CA 0.408 58.464 58.100 -0.073 0.000 1.506 309 Y CB 0.557 38.881 38.460 -0.226 0.000 1.268 309 Y HN 0.564 nan 8.280 nan 0.000 0.561 310 K N 3.728 123.667 120.400 -0.768 0.000 2.521 310 K HA 0.388 4.707 4.320 -0.001 0.000 0.213 310 K C 0.111 176.318 176.600 -0.655 0.000 1.223 310 K CA 0.586 56.560 56.287 -0.522 0.000 1.013 310 K CB 0.902 33.229 32.500 -0.288 0.000 1.017 310 K HN 0.940 nan 8.250 nan 0.000 0.591 311 G N 1.462 109.553 108.800 -1.183 0.000 2.357 311 G HA2 0.172 4.131 3.960 -0.001 0.000 0.289 311 G HA3 0.172 4.131 3.960 -0.001 0.000 0.289 311 G C -1.694 172.928 174.900 -0.463 0.000 1.302 311 G CA -0.660 44.032 45.100 -0.680 0.000 0.936 311 G HN 0.141 nan 8.290 nan 0.000 0.513 312 R N -1.572 118.860 120.500 -0.114 0.000 2.733 312 R HA 0.804 5.144 4.340 -0.001 0.000 0.272 312 R C -1.743 174.616 176.300 0.097 0.000 1.029 312 R CA -1.109 55.011 56.100 0.034 0.000 0.888 312 R CB 1.169 31.562 30.300 0.155 0.000 1.251 312 R HN 0.646 nan 8.270 nan 0.000 0.464 313 I N 0.999 121.652 120.570 0.139 0.000 2.498 313 I HA 0.200 4.370 4.170 -0.001 0.000 0.290 313 I C -1.073 175.168 176.117 0.207 0.000 1.032 313 I CA -0.917 60.465 61.300 0.137 0.000 1.073 313 I CB 2.213 40.232 38.000 0.031 0.000 1.251 313 I HN 0.623 nan 8.210 nan 0.000 0.426 314 D N 7.067 127.629 120.400 0.269 0.000 2.352 314 D HA 0.132 4.771 4.640 -0.001 0.000 0.245 314 D C 0.888 177.401 176.300 0.355 0.000 1.224 314 D CA -0.171 54.005 54.000 0.293 0.000 0.879 314 D CB 0.951 41.909 40.800 0.263 0.000 1.057 314 D HN 0.320 nan 8.370 nan 0.000 0.491 315 M N 2.323 122.111 119.600 0.314 0.000 2.374 315 M HA -0.095 4.384 4.480 -0.001 0.000 0.264 315 M C 0.835 177.300 176.300 0.276 0.000 1.067 315 M CA 0.731 56.214 55.300 0.304 0.000 1.103 315 M CB -0.479 32.286 32.600 0.274 0.000 1.402 315 M HN 0.358 nan 8.290 nan 0.000 0.444 316 D N 0.752 121.312 120.400 0.266 0.000 2.221 316 D HA -0.127 4.512 4.640 -0.001 0.000 0.204 316 D C 1.497 177.883 176.300 0.143 0.000 0.982 316 D CA 1.097 55.221 54.000 0.207 0.000 0.857 316 D CB -0.075 40.852 40.800 0.211 0.000 0.934 316 D HN 0.401 nan 8.370 nan 0.000 0.475 317 K N -1.067 119.432 120.400 0.165 0.000 2.358 317 K HA 0.093 4.413 4.320 -0.001 0.000 0.197 317 K C -0.369 176.094 176.600 -0.227 0.000 1.025 317 K CA -0.088 56.196 56.287 -0.005 0.000 1.104 317 K CB 0.745 33.244 32.500 -0.001 0.000 0.855 317 K HN 0.112 nan 8.250 nan 0.000 0.531 318 Y N 1.293 121.615 120.300 0.036 0.000 2.425 318 Y HA 0.160 4.709 4.550 -0.001 0.000 0.344 318 Y C -0.259 175.633 175.900 -0.014 0.000 0.969 318 Y CA -1.247 56.858 58.100 0.008 0.000 1.052 318 Y CB 1.697 40.180 38.460 0.039 0.000 1.215 318 Y HN 0.015 nan 8.280 nan 0.000 0.451 319 E N 0.569 120.833 120.200 0.106 0.000 2.281 319 E HA 0.741 5.090 4.350 -0.001 0.000 0.262 319 E C -1.654 174.971 176.600 0.041 0.000 0.933 319 E CA -1.197 55.238 56.400 0.058 0.000 0.809 319 E CB 2.115 31.848 29.700 0.054 0.000 1.242 319 E HN 0.238 nan 8.360 nan 0.000 0.418 320 V N 2.340 122.227 119.914 -0.045 0.000 2.461 320 V HA 0.197 4.317 4.120 -0.001 0.000 0.275 320 V C -0.270 175.839 176.094 0.024 0.000 1.047 320 V CA -0.618 61.634 62.300 -0.080 0.000 0.955 320 V CB 0.807 32.513 31.823 -0.194 0.000 0.988 320 V HN 0.582 nan 8.190 nan 0.000 0.471 321 I N 3.882 124.503 120.570 0.085 0.000 2.354 321 I HA 0.317 4.487 4.170 -0.001 0.000 0.286 321 I C -0.087 176.105 176.117 0.125 0.000 1.007 321 I CA -0.552 60.798 61.300 0.083 0.000 1.167 321 I CB 1.279 39.320 38.000 0.068 0.000 1.320 321 I HN 0.559 nan 8.210 nan 0.000 0.458 322 D N 7.918 128.374 120.400 0.094 0.000 2.343 322 D HA 0.353 4.992 4.640 -0.001 0.000 0.255 322 D C -0.206 176.151 176.300 0.095 0.000 1.187 322 D CA -0.071 53.998 54.000 0.116 0.000 0.875 322 D CB 0.808 41.649 40.800 0.068 0.000 1.136 322 D HN 0.520 nan 8.370 nan 0.000 0.469 323 I N -0.458 120.178 120.570 0.111 0.000 2.693 323 I HA 0.552 4.721 4.170 -0.001 0.000 0.303 323 I C 0.033 176.188 176.117 0.062 0.000 1.025 323 I CA -1.020 60.321 61.300 0.069 0.000 1.086 323 I CB 1.888 39.917 38.000 0.049 0.000 1.268 323 I HN 0.132 nan 8.210 nan 0.000 0.440 324 E N 2.360 122.584 120.200 0.041 0.000 2.374 324 E HA 0.127 4.477 4.350 -0.001 0.000 0.260 324 E C -0.917 175.699 176.600 0.026 0.000 1.101 324 E CA -0.602 55.818 56.400 0.035 0.000 0.907 324 E CB 0.711 30.426 29.700 0.025 0.000 1.014 324 E HN 0.521 nan 8.360 nan 0.000 0.427 325 D N 0.950 121.365 120.400 0.025 0.000 2.506 325 D HA 0.260 4.900 4.640 -0.001 0.000 0.234 325 D C 0.511 176.811 176.300 0.000 0.000 1.143 325 D CA 1.060 55.067 54.000 0.012 0.000 0.871 325 D CB 0.891 41.700 40.800 0.016 0.000 1.190 325 D HN 0.647 nan 8.370 nan 0.000 0.459 326 G N 1.004 109.795 108.800 -0.015 0.000 2.270 326 G HA2 -0.085 3.875 3.960 -0.001 0.000 0.268 326 G HA3 -0.085 3.875 3.960 -0.001 0.000 0.268 326 G C -0.903 173.982 174.900 -0.025 0.000 1.312 326 G CA -0.971 44.119 45.100 -0.016 0.000 1.050 326 G HN 0.563 nan 8.290 nan 0.000 0.474 327 R N 0.846 121.339 120.500 -0.012 0.000 2.248 327 R HA 0.453 4.792 4.340 -0.001 0.000 0.328 327 R C -0.507 175.797 176.300 0.006 0.000 1.067 327 R CA -0.082 56.014 56.100 -0.005 0.000 0.924 327 R CB 0.331 30.633 30.300 0.003 0.000 1.013 327 R HN 0.603 nan 8.270 nan 0.000 0.454 328 D N 2.290 122.698 120.400 0.014 0.000 2.302 328 D HA 0.026 4.665 4.640 -0.001 0.000 0.248 328 D C 0.166 176.505 176.300 0.065 0.000 1.094 328 D CA -0.269 53.755 54.000 0.040 0.000 0.897 328 D CB 1.385 42.216 40.800 0.052 0.000 1.200 328 D HN 0.458 nan 8.370 nan 0.000 0.429 329 D N 1.445 121.876 120.400 0.052 0.000 2.117 329 D HA -0.112 4.528 4.640 -0.001 0.000 0.198 329 D C 0.979 177.299 176.300 0.034 0.000 0.982 329 D CA 1.009 55.031 54.000 0.038 0.000 0.828 329 D CB 0.181 40.991 40.800 0.017 0.000 0.967 329 D HN 0.447 nan 8.370 nan 0.000 0.464 330 D N -0.550 119.873 120.400 0.038 0.000 2.117 330 D HA -0.104 4.535 4.640 -0.001 0.000 0.198 330 D C 1.635 177.795 176.300 -0.233 0.000 0.982 330 D CA 0.782 54.737 54.000 -0.075 0.000 0.828 330 D CB -0.301 40.467 40.800 -0.053 0.000 0.967 330 D HN 0.269 nan 8.370 nan 0.000 0.464 331 F N 0.301 120.177 119.950 -0.123 0.000 2.619 331 F HA 0.126 4.653 4.527 -0.000 0.000 0.293 331 F C 0.899 176.684 175.800 -0.024 0.000 1.119 331 F CA 0.015 57.922 58.000 -0.155 0.000 1.445 331 F CB -0.435 38.484 39.000 -0.134 0.000 1.119 331 F HN -0.093 nan 8.300 nan 0.000 0.573 332 N N 1.214 120.006 118.700 0.153 0.000 2.699 332 N HA -0.198 4.542 4.740 -0.001 0.000 0.256 332 N C -1.044 174.529 175.510 0.104 0.000 0.993 332 N CA -0.106 53.019 53.050 0.124 0.000 0.759 332 N CB -0.641 37.936 38.487 0.149 0.000 0.906 332 N HN 0.073 nan 8.380 nan 0.000 0.541 333 V N 0.669 120.626 119.914 0.073 0.000 2.971 333 V HA 0.486 4.606 4.120 -0.001 0.000 0.309 333 V C -0.241 175.821 176.094 -0.053 0.000 1.130 333 V CA -0.411 61.896 62.300 0.011 0.000 0.964 333 V CB 2.135 33.973 31.823 0.024 0.000 1.029 333 V HN 0.385 nan 8.190 nan 0.000 0.427 334 S N 5.101 120.751 115.700 -0.083 0.000 2.578 334 S HA 0.899 5.368 4.470 -0.001 0.000 0.283 334 S C -0.767 173.732 174.600 -0.167 0.000 1.195 334 S CA -0.493 57.653 58.200 -0.090 0.000 1.050 334 S CB 1.581 64.747 63.200 -0.058 0.000 1.012 334 S HN 0.644 nan 8.310 nan 0.000 0.511 335 M N 2.171 121.680 119.600 -0.153 0.000 2.470 335 M HA 0.516 4.995 4.480 -0.001 0.000 0.285 335 M C -1.579 174.662 176.300 -0.099 0.000 1.213 335 M CA -0.488 54.679 55.300 -0.222 0.000 0.901 335 M CB 2.402 34.839 32.600 -0.272 0.000 1.718 335 M HN 0.947 nan 8.290 nan 0.000 0.469 336 K N 1.325 121.689 120.400 -0.060 0.000 2.443 336 K HA 0.632 4.952 4.320 -0.001 0.000 0.251 336 K C -0.827 175.827 176.600 0.090 0.000 0.972 336 K CA -0.775 55.525 56.287 0.022 0.000 0.833 336 K CB 1.162 33.680 32.500 0.030 0.000 1.317 336 K HN 0.707 nan 8.250 nan 0.000 0.441 337 N N -0.632 118.135 118.700 0.111 0.000 2.705 337 N HA -0.221 4.519 4.740 -0.001 0.000 0.255 337 N C -1.090 174.553 175.510 0.221 0.000 1.008 337 N CA 1.268 54.417 53.050 0.166 0.000 0.742 337 N CB -1.315 37.277 38.487 0.174 0.000 0.906 337 N HN 0.782 nan 8.380 nan 0.000 0.541 338 A N 0.088 123.019 122.820 0.185 0.000 2.356 338 A HA 0.899 5.219 4.320 -0.001 0.000 0.323 338 A C -0.194 177.530 177.584 0.235 0.000 1.119 338 A CA -0.772 51.356 52.037 0.151 0.000 0.790 338 A CB 1.360 20.388 19.000 0.046 0.000 1.273 338 A HN 0.365 nan 8.150 nan 0.000 0.452 339 F N -0.968 119.048 119.950 0.109 0.000 2.685 339 F HA 0.798 5.325 4.527 -0.001 0.000 0.315 339 F C -0.681 175.185 175.800 0.110 0.000 1.126 339 F CA -1.054 56.989 58.000 0.071 0.000 0.950 339 F CB 1.429 40.454 39.000 0.041 0.000 1.360 339 F HN 0.459 nan 8.300 nan 0.000 0.469 340 K N 1.559 122.088 120.400 0.215 0.000 2.208 340 K HA 0.702 5.022 4.320 -0.001 0.000 0.247 340 K C -1.485 175.289 176.600 0.289 0.000 0.953 340 K CA -0.885 55.524 56.287 0.203 0.000 0.837 340 K CB 2.522 35.096 32.500 0.124 0.000 1.131 340 K HN 0.613 nan 8.250 nan 0.000 0.431 341 L N 2.259 123.691 121.223 0.348 0.000 2.313 341 L HA 0.331 4.671 4.340 -0.001 0.000 0.283 341 L C -0.286 176.858 176.870 0.457 0.000 1.013 341 L CA -0.653 54.375 54.840 0.313 0.000 0.816 341 L CB 1.109 43.293 42.059 0.207 0.000 1.236 341 L HN 0.579 nan 8.230 nan 0.000 0.419 342 H N 4.642 123.881 119.070 0.281 0.000 2.539 342 H HA 0.202 4.757 4.556 -0.001 0.000 0.332 342 H C -0.634 174.634 175.328 -0.099 0.000 1.031 342 H CA -0.769 55.354 56.048 0.125 0.000 1.206 342 H CB 1.662 31.451 29.762 0.045 0.000 1.446 342 H HN 0.598 nan 8.280 nan 0.000 0.496 343 N N 4.203 122.415 118.700 -0.815 0.000 2.412 343 N HA -0.080 4.660 4.740 -0.001 0.000 0.254 343 N C 0.651 175.653 175.510 -0.847 0.000 1.232 343 N CA 0.444 52.815 53.050 -1.132 0.000 0.880 343 N CB 0.970 38.954 38.487 -0.838 0.000 1.076 343 N HN 0.719 nan 8.380 nan 0.000 0.458 344 K N 2.930 123.014 120.400 -0.527 0.000 2.005 344 K HA -0.046 4.273 4.320 -0.001 0.000 0.206 344 K C 0.983 177.445 176.600 -0.230 0.000 1.044 344 K CA 1.155 57.269 56.287 -0.289 0.000 0.942 344 K CB 0.092 32.497 32.500 -0.158 0.000 0.727 344 K HN 0.641 nan 8.250 nan 0.000 0.439 345 E N 0.525 120.603 120.200 -0.204 0.000 2.502 345 E HA -0.043 4.307 4.350 -0.001 0.000 0.194 345 E C 0.987 177.514 176.600 -0.123 0.000 1.062 345 E CA 0.656 56.983 56.400 -0.123 0.000 0.867 345 E CB 0.381 30.031 29.700 -0.083 0.000 0.888 345 E HN 0.389 nan 8.360 nan 0.000 0.510 346 T N -1.468 112.971 114.554 -0.191 0.000 1.930 346 T HA 0.178 4.527 4.350 -0.001 0.000 0.170 346 T C 0.310 174.886 174.700 -0.206 0.000 0.695 346 T CA 0.266 62.275 62.100 -0.152 0.000 1.111 346 T CB 0.670 69.470 68.868 -0.113 0.000 2.969 346 T HN 0.121 nan 8.240 nan 0.000 0.407 347 E N -1.036 119.032 120.200 -0.220 0.000 1.452 347 E HA 0.135 4.484 4.350 -0.001 0.000 0.199 347 E C -0.297 176.288 176.600 -0.026 0.000 0.890 347 E CA -0.463 55.919 56.400 -0.030 0.000 1.031 347 E CB -0.617 29.080 29.700 -0.006 0.000 4.262 347 E HN 0.553 nan 8.360 nan 0.000 0.686 348 E N 1.746 121.887 120.200 -0.099 0.000 2.653 348 E HA 0.117 4.466 4.350 -0.001 0.000 0.264 348 E C -0.993 175.558 176.600 -0.082 0.000 0.949 348 E CA 1.014 57.344 56.400 -0.116 0.000 0.953 348 E CB 1.579 31.250 29.700 -0.048 0.000 0.925 348 E HN 0.097 nan 8.360 nan 0.000 0.475 349 V N 5.375 125.213 119.914 -0.126 0.000 2.851 349 V HA 0.258 4.378 4.120 -0.001 0.000 0.307 349 V C -1.459 174.640 176.094 0.009 0.000 1.129 349 V CA -0.708 61.621 62.300 0.050 0.000 0.932 349 V CB 1.905 33.880 31.823 0.254 0.000 1.024 349 V HN 0.654 nan 8.190 nan 0.000 0.426 350 H N 5.600 124.871 119.070 0.335 0.000 2.569 350 H HA 0.565 5.120 4.556 -0.001 0.000 0.357 350 H C -0.756 174.520 175.328 -0.086 0.000 1.153 350 H CA -0.672 55.463 56.048 0.146 0.000 1.193 350 H CB 2.477 32.388 29.762 0.249 0.000 1.602 350 H HN 0.597 nan 8.280 nan 0.000 0.523 351 L N 2.915 123.861 121.223 -0.461 0.000 2.317 351 L HA 0.419 4.758 4.340 -0.001 0.000 0.281 351 L C -1.247 175.268 176.870 -0.592 0.000 1.024 351 L CA -0.654 53.808 54.840 -0.631 0.000 0.810 351 L CB 0.571 41.899 42.059 -1.218 0.000 1.240 351 L HN 0.370 nan 8.230 nan 0.000 0.427 352 F N 3.896 123.573 119.950 -0.456 0.000 2.563 352 F HA 0.580 5.106 4.527 -0.001 0.000 0.316 352 F C -0.346 175.233 175.800 -0.367 0.000 1.076 352 F CA -0.757 56.889 58.000 -0.590 0.000 0.921 352 F CB 1.829 40.104 39.000 -1.209 0.000 1.209 352 F HN 0.228 nan 8.300 nan 0.000 0.462 353 F N 0.182 120.033 119.950 -0.165 0.000 2.591 353 F HA 0.925 5.452 4.527 -0.001 0.000 0.309 353 F C -0.880 174.937 175.800 0.028 0.000 1.098 353 F CA -1.485 56.471 58.000 -0.073 0.000 0.937 353 F CB 1.049 40.010 39.000 -0.065 0.000 1.250 353 F HN 0.621 nan 8.300 nan 0.000 0.447 354 A N 2.744 125.682 122.820 0.197 0.000 2.325 354 A HA 0.519 4.839 4.320 -0.001 0.000 0.333 354 A C 0.717 178.416 177.584 0.192 0.000 1.155 354 A CA -0.929 51.218 52.037 0.182 0.000 0.814 354 A CB 1.347 20.507 19.000 0.267 0.000 1.206 354 A HN 0.957 nan 8.150 nan 0.000 0.482 355 K N 0.067 120.561 120.400 0.156 0.000 2.209 355 K HA -0.082 4.237 4.320 -0.001 0.000 0.204 355 K C -0.022 176.652 176.600 0.123 0.000 1.048 355 K CA 1.288 57.658 56.287 0.139 0.000 0.940 355 K CB -0.067 32.499 32.500 0.111 0.000 0.729 355 K HN 0.572 nan 8.250 nan 0.000 0.451 356 K N 0.044 120.521 120.400 0.128 0.000 2.477 356 K HA 0.210 4.530 4.320 -0.001 0.000 0.255 356 K C 0.468 177.137 176.600 0.115 0.000 0.952 356 K CA -0.434 55.916 56.287 0.105 0.000 0.826 356 K CB 2.150 34.700 32.500 0.083 0.000 1.331 356 K HN -0.180 nan 8.250 nan 0.000 0.437 357 L N 1.675 122.952 121.223 0.091 0.000 2.012 357 L HA -0.237 4.103 4.340 -0.001 0.000 0.210 357 L C 1.571 178.485 176.870 0.074 0.000 1.073 357 L CA 1.985 56.876 54.840 0.085 0.000 0.748 357 L CB -0.031 42.063 42.059 0.059 0.000 0.891 357 L HN 0.772 nan 8.230 nan 0.000 0.431 358 E N -0.467 119.765 120.200 0.053 0.000 2.097 358 E HA -0.321 4.028 4.350 -0.001 0.000 0.196 358 E C 1.978 178.595 176.600 0.029 0.000 1.000 358 E CA 1.770 58.185 56.400 0.025 0.000 0.804 358 E CB 0.014 29.724 29.700 0.018 0.000 0.740 358 E HN 0.385 nan 8.360 nan 0.000 0.454 359 E N 0.931 121.181 120.200 0.084 0.000 2.076 359 E HA -0.142 4.208 4.350 -0.001 0.000 0.190 359 E C 1.792 178.527 176.600 0.225 0.000 0.979 359 E CA 1.077 57.557 56.400 0.133 0.000 0.807 359 E CB 0.001 29.818 29.700 0.195 0.000 0.761 359 E HN 0.088 nan 8.360 nan 0.000 0.454 360 K N 0.267 120.819 120.400 0.253 0.000 2.074 360 K HA -0.180 4.140 4.320 -0.001 0.000 0.209 360 K C 2.028 178.704 176.600 0.127 0.000 1.048 360 K CA 1.802 58.263 56.287 0.290 0.000 0.926 360 K CB -0.309 32.348 32.500 0.261 0.000 0.713 360 K HN 0.185 nan 8.250 nan 0.000 0.444 361 I N 0.615 121.208 120.570 0.040 0.000 2.286 361 I HA -0.254 3.916 4.170 -0.001 0.000 0.248 361 I C 2.507 178.530 176.117 -0.156 0.000 1.115 361 I CA 1.225 62.500 61.300 -0.042 0.000 1.392 361 I CB -0.153 37.823 38.000 -0.039 0.000 1.065 361 I HN 0.162 nan 8.210 nan 0.000 0.418 362 R N -0.522 119.834 120.500 -0.241 0.000 2.090 362 R HA -0.135 4.205 4.340 -0.001 0.000 0.228 362 R C 2.089 177.905 176.300 -0.806 0.000 1.110 362 R CA 1.480 57.242 56.100 -0.562 0.000 0.973 362 R CB -0.294 29.601 30.300 -0.676 0.000 0.869 362 R HN 0.356 nan 8.270 nan 0.000 0.440 363 W N 0.904 121.917 121.300 -0.479 0.000 2.358 363 W HA -0.107 4.553 4.660 -0.001 0.000 0.303 363 W C 1.825 178.002 176.519 -0.570 0.000 1.208 363 W CA 0.653 57.654 57.345 -0.573 0.000 1.274 363 W CB -0.195 29.060 29.460 -0.341 0.000 1.138 363 W HN 0.022 nan 8.180 nan 0.000 0.515 364 L N -0.235 120.898 121.223 -0.151 0.000 2.083 364 L HA -0.184 4.156 4.340 -0.001 0.000 0.209 364 L C 2.718 179.525 176.870 -0.105 0.000 1.083 364 L CA 1.175 55.960 54.840 -0.092 0.000 0.752 364 L CB -0.857 41.149 42.059 -0.089 0.000 0.899 364 L HN -0.027 nan 8.230 nan 0.000 0.433 365 R N 0.416 120.797 120.500 -0.198 0.000 2.073 365 R HA -0.187 4.153 4.340 -0.001 0.000 0.234 365 R C 2.338 178.483 176.300 -0.257 0.000 1.134 365 R CA 1.611 57.584 56.100 -0.211 0.000 0.952 365 R CB -0.279 29.863 30.300 -0.263 0.000 0.850 365 R HN 0.358 nan 8.270 nan 0.000 0.433 366 A N 0.228 122.786 122.820 -0.436 0.000 1.940 366 A HA -0.161 4.159 4.320 -0.001 0.000 0.219 366 A C 2.020 179.425 177.584 -0.298 0.000 1.176 366 A CA 1.301 53.068 52.037 -0.450 0.000 0.631 366 A CB -0.749 17.837 19.000 -0.690 0.000 0.814 366 A HN 0.391 nan 8.150 nan 0.000 0.446 367 F N -0.504 119.391 119.950 -0.091 0.000 2.234 367 F HA -0.133 4.393 4.527 -0.001 0.000 0.299 367 F C 2.641 178.406 175.800 -0.058 0.000 1.087 367 F CA 0.888 58.854 58.000 -0.057 0.000 1.340 367 F CB -0.054 38.889 39.000 -0.094 0.000 1.031 367 F HN 0.062 nan 8.300 nan 0.000 0.500 368 R N 0.721 121.263 120.500 0.070 0.000 2.092 368 R HA -0.107 4.233 4.340 -0.001 0.000 0.231 368 R C 1.957 178.253 176.300 -0.007 0.000 1.119 368 R CA 1.122 57.236 56.100 0.023 0.000 0.970 368 R CB -0.824 29.468 30.300 -0.013 0.000 0.864 368 R HN 0.389 nan 8.270 nan 0.000 0.440 369 E N 0.423 120.593 120.200 -0.049 0.000 2.077 369 E HA -0.171 4.178 4.350 -0.001 0.000 0.193 369 E C 1.893 178.471 176.600 -0.037 0.000 0.989 369 E CA 0.717 57.080 56.400 -0.062 0.000 0.800 369 E CB 0.021 29.656 29.700 -0.108 0.000 0.746 369 E HN 0.270 nan 8.360 nan 0.000 0.452 370 E N 0.944 121.136 120.200 -0.013 0.000 2.077 370 E HA -0.212 4.138 4.350 -0.001 0.000 0.193 370 E C 2.031 178.633 176.600 0.003 0.000 0.989 370 E CA 0.911 57.316 56.400 0.010 0.000 0.800 370 E CB 0.166 29.911 29.700 0.076 0.000 0.746 370 E HN 0.057 nan 8.360 nan 0.000 0.452 371 R N 0.640 121.158 120.500 0.030 0.000 2.075 371 R HA -0.033 4.306 4.340 -0.001 0.000 0.232 371 R C 2.294 178.593 176.300 -0.001 0.000 1.126 371 R CA 0.708 56.820 56.100 0.020 0.000 0.963 371 R CB -0.395 29.929 30.300 0.041 0.000 0.858 371 R HN 0.116 nan 8.270 nan 0.000 0.435 372 K N 0.476 120.872 120.400 -0.007 0.000 2.097 372 K HA -0.096 4.224 4.320 -0.001 0.000 0.206 372 K C 2.019 178.601 176.600 -0.030 0.000 1.049 372 K CA 0.973 57.250 56.287 -0.017 0.000 0.933 372 K CB -0.215 32.272 32.500 -0.022 0.000 0.717 372 K HN 0.209 nan 8.250 nan 0.000 0.442 373 M N 0.580 120.159 119.600 -0.036 0.000 2.132 373 M HA -0.132 4.348 4.480 -0.001 0.000 0.263 373 M C 1.950 178.227 176.300 -0.038 0.000 1.065 373 M CA 1.197 56.473 55.300 -0.041 0.000 1.122 373 M CB 0.120 32.699 32.600 -0.035 0.000 1.365 373 M HN -0.158 nan 8.290 nan 0.000 0.411 374 V N 0.465 120.342 119.914 -0.062 0.000 2.427 374 V HA -0.282 3.838 4.120 -0.001 0.000 0.248 374 V C 2.299 178.390 176.094 -0.005 0.000 1.051 374 V CA 2.087 64.340 62.300 -0.078 0.000 1.048 374 V CB -0.740 30.966 31.823 -0.195 0.000 0.666 374 V HN 0.614 nan 8.190 nan 0.000 0.456 375 Q N -0.273 119.522 119.800 -0.009 0.000 2.079 375 Q HA -0.269 4.070 4.340 -0.001 0.000 0.200 375 Q C 2.251 178.233 176.000 -0.029 0.000 0.974 375 Q CA 2.020 57.822 55.803 -0.002 0.000 0.840 375 Q CB 0.010 28.748 28.738 -0.000 0.000 0.898 375 Q HN 0.688 nan 8.270 nan 0.000 0.430 376 E N 0.691 120.859 120.200 -0.053 0.000 2.072 376 E HA -0.182 4.167 4.350 -0.001 0.000 0.191 376 E C 1.368 177.882 176.600 -0.144 0.000 0.985 376 E CA 1.690 58.021 56.400 -0.116 0.000 0.801 376 E CB -0.078 29.549 29.700 -0.122 0.000 0.750 376 E HN 0.368 nan 8.360 nan 0.000 0.452 377 D N 0.291 120.659 120.400 -0.054 0.000 2.149 377 D HA -0.216 4.423 4.640 -0.001 0.000 0.198 377 D C 1.767 178.084 176.300 0.028 0.000 0.990 377 D CA 1.565 55.589 54.000 0.040 0.000 0.839 377 D CB -0.282 40.625 40.800 0.179 0.000 0.948 377 D HN 0.599 nan 8.370 nan 0.000 0.460 378 E N 0.763 120.972 120.200 0.015 0.000 2.158 378 E HA -0.152 4.198 4.350 -0.001 0.000 0.191 378 E C 1.896 178.482 176.600 -0.024 0.000 0.982 378 E CA 0.681 57.094 56.400 0.022 0.000 0.823 378 E CB 0.055 29.785 29.700 0.050 0.000 0.766 378 E HN 0.016 nan 8.360 nan 0.000 0.468 379 K N 0.662 121.014 120.400 -0.079 0.000 2.097 379 K HA -0.055 4.265 4.320 -0.001 0.000 0.206 379 K C 1.974 178.413 176.600 -0.270 0.000 1.049 379 K CA 1.341 57.558 56.287 -0.118 0.000 0.933 379 K CB -0.052 32.378 32.500 -0.117 0.000 0.717 379 K HN 0.205 nan 8.250 nan 0.000 0.442 380 I N -0.504 119.797 120.570 -0.447 0.000 2.546 380 I HA -0.039 4.131 4.170 -0.001 0.000 0.255 380 I C 1.103 177.176 176.117 -0.073 0.000 1.163 380 I CA 0.884 61.856 61.300 -0.547 0.000 1.457 380 I CB 0.011 37.667 38.000 -0.572 0.000 1.092 380 I HN 0.510 nan 8.210 nan 0.000 0.434 381 G N 1.273 110.070 108.800 -0.005 0.000 2.149 381 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.235 381 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.235 381 G C 0.090 175.056 174.900 0.110 0.000 1.018 381 G CA -0.270 44.868 45.100 0.064 0.000 0.728 381 G HN 0.275 nan 8.290 nan 0.000 0.508 382 F N 2.156 122.091 119.950 -0.026 0.000 2.420 382 F HA 0.636 5.162 4.527 -0.000 0.000 0.352 382 F C 0.351 176.164 175.800 0.021 0.000 1.108 382 F CA -0.486 57.513 58.000 -0.001 0.000 1.162 382 F CB 0.752 39.738 39.000 -0.024 0.000 1.118 382 F HN 0.489 nan 8.300 nan 0.000 0.510 383 E N 5.604 125.335 120.200 -0.782 0.000 2.423 383 E HA 0.368 4.718 4.350 -0.001 0.000 0.280 383 E C -1.630 174.525 176.600 -0.742 0.000 1.030 383 E CA -1.129 54.788 56.400 -0.804 0.000 0.812 383 E CB 1.413 30.934 29.700 -0.299 0.000 1.313 383 E HN 0.317 nan 8.360 nan 0.000 0.456 384 I N 2.297 122.559 120.570 -0.514 0.000 2.588 384 I HA 0.070 4.239 4.170 -0.001 0.000 0.283 384 I C 0.913 176.933 176.117 -0.162 0.000 1.119 384 I CA -0.030 61.109 61.300 -0.268 0.000 1.419 384 I CB 0.621 38.534 38.000 -0.146 0.000 1.394 384 I HN 0.688 nan 8.210 nan 0.000 0.562 385 S N 4.615 120.253 115.700 -0.103 0.000 2.580 385 S HA 0.181 4.651 4.470 -0.001 0.000 0.274 385 S C 0.929 175.501 174.600 -0.046 0.000 1.329 385 S CA -0.474 57.688 58.200 -0.062 0.000 1.036 385 S CB 1.097 64.275 63.200 -0.035 0.000 0.919 385 S HN 0.575 nan 8.310 nan 0.000 0.515 386 E N 1.994 122.172 120.200 -0.036 0.000 2.118 386 E HA -0.190 4.159 4.350 -0.001 0.000 0.195 386 E C 1.639 178.224 176.600 -0.025 0.000 0.992 386 E CA 1.232 57.614 56.400 -0.030 0.000 0.804 386 E CB -0.199 29.488 29.700 -0.023 0.000 0.741 386 E HN 0.618 nan 8.360 nan 0.000 0.458 387 N N 0.984 119.672 118.700 -0.020 0.000 2.043 387 N HA -0.185 4.555 4.740 -0.001 0.000 0.193 387 N C 1.764 177.263 175.510 -0.019 0.000 1.037 387 N CA 1.291 54.331 53.050 -0.016 0.000 0.851 387 N CB -0.151 38.330 38.487 -0.011 0.000 1.027 387 N HN 0.260 nan 8.380 nan 0.000 0.422 388 Q N 0.509 120.297 119.800 -0.019 0.000 2.112 388 Q HA -0.127 4.213 4.340 -0.001 0.000 0.206 388 Q C 1.909 177.897 176.000 -0.020 0.000 0.987 388 Q CA 1.378 57.172 55.803 -0.016 0.000 0.858 388 Q CB -0.059 28.672 28.738 -0.013 0.000 0.905 388 Q HN 0.388 nan 8.270 nan 0.000 0.420 389 K N 0.322 120.705 120.400 -0.029 0.000 2.057 389 K HA -0.141 4.179 4.320 -0.001 0.000 0.207 389 K C 2.136 178.715 176.600 -0.034 0.000 1.049 389 K CA 1.071 57.339 56.287 -0.033 0.000 0.931 389 K CB -0.107 32.370 32.500 -0.038 0.000 0.714 389 K HN 0.137 nan 8.250 nan 0.000 0.440 390 R N 0.889 121.372 120.500 -0.030 0.000 2.066 390 R HA -0.128 4.211 4.340 -0.001 0.000 0.232 390 R C 2.527 178.809 176.300 -0.029 0.000 1.131 390 R CA 1.279 57.361 56.100 -0.030 0.000 0.955 390 R CB -0.200 30.085 30.300 -0.025 0.000 0.851 390 R HN 0.285 nan 8.270 nan 0.000 0.432 391 Q N 0.406 120.191 119.800 -0.024 0.000 2.112 391 Q HA -0.208 4.132 4.340 -0.001 0.000 0.206 391 Q C 1.946 177.931 176.000 -0.024 0.000 0.987 391 Q CA 1.927 57.717 55.803 -0.022 0.000 0.858 391 Q CB -0.075 28.653 28.738 -0.017 0.000 0.905 391 Q HN 0.386 nan 8.270 nan 0.000 0.420 392 A N 0.508 123.314 122.820 -0.023 0.000 1.898 392 A HA -0.032 4.288 4.320 -0.001 0.000 0.216 392 A C 2.170 179.730 177.584 -0.040 0.000 1.181 392 A CA 1.474 53.496 52.037 -0.025 0.000 0.620 392 A CB -0.746 18.242 19.000 -0.020 0.000 0.819 392 A HN 0.519 nan 8.150 nan 0.000 0.442 393 A N -2.108 120.683 122.820 -0.048 0.000 2.209 393 A HA 0.159 4.478 4.320 -0.001 0.000 0.212 393 A C 1.772 179.321 177.584 -0.058 0.000 1.158 393 A CA 1.471 53.470 52.037 -0.064 0.000 0.742 393 A CB -0.323 18.636 19.000 -0.068 0.000 0.790 393 A HN 0.384 nan 8.150 nan 0.000 0.472 394 M N -1.929 117.644 119.600 -0.045 0.000 2.414 394 M HA 0.124 4.604 4.480 -0.001 0.000 0.251 394 M C 1.745 178.023 176.300 -0.037 0.000 1.116 394 M CA 0.831 56.107 55.300 -0.040 0.000 1.056 394 M CB -0.687 31.893 32.600 -0.033 0.000 1.388 394 M HN 0.228 nan 8.290 nan 0.000 0.487 395 T N -0.075 114.457 114.554 -0.036 0.000 2.977 395 T HA 0.030 4.380 4.350 -0.001 0.000 0.271 395 T C 0.467 175.143 174.700 -0.039 0.000 1.105 395 T CA 0.558 62.638 62.100 -0.032 0.000 1.116 395 T CB -0.159 68.694 68.868 -0.025 0.000 0.878 395 T HN 0.012 nan 8.240 nan 0.000 0.509 396 V N 2.879 122.762 119.914 -0.052 0.000 2.339 396 V HA 0.396 4.515 4.120 -0.001 0.000 0.261 396 V C 0.407 176.466 176.094 -0.057 0.000 1.058 396 V CA -0.495 61.767 62.300 -0.063 0.000 0.897 396 V CB 0.561 32.331 31.823 -0.089 0.000 1.052 396 V HN 0.133 nan 8.190 nan 0.000 0.480 397 R N 0.000 120.471 120.500 -0.049 0.000 2.786 397 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 397 R CA 0.000 56.075 56.100 -0.041 0.000 0.921 397 R CB 0.000 30.280 30.300 -0.034 0.000 0.687 397 R HN 0.000 nan 8.270 nan 0.000 0.535