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 2cmz_1_C DATA FIRST_RESID 1 DATA SEQUENCE KFTIVFPHNQ KGNWKNVPSN YHYcPSSSDL NWHNDLIGTA IQVKMPKSHK DATA SEQUENCE AIQADGWMcH ASKWVTTcDF RWYGPKYITQ SIRSFTPSVE QcKESIEQTK DATA SEQUENCE QGTWLNPGFP PQScGYATVT DAEAVIVQVT PHHVLVDEYT GEWVDSQFIN DATA SEQUENCE GKcSNYIcPT VHNSTTWHSD YKVKGLcDSN LISMDITFFS EDGELSSLGK DATA SEQUENCE EGTGFRSNYF AYETGGKAcK MQYcKHWGVR LPSGVWFEMA DKDLFAAARF DATA SEQUENCE PEcPEGSSIS APSQTSVDVS LIQDVERILD YSLcQETWSK IRAGLPISPV DATA SEQUENCE DLSYLAPKNP GTGPAFTIIN GTLKYFETRY IRVDIAAPIL SRMVGMISGT DATA SEQUENCE TTERELWDDW APYEDVEIGP NGVLRTSSGY KFPLYMIGHG MLDSDLHLSS DATA SEQUENCE KAQVFEHP 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 1 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 176.321 176.600 -0.465 0.000 0.988 1 K CA 0.000 56.116 56.287 -0.286 0.000 0.838 1 K CB 0.000 32.286 32.500 -0.357 0.000 1.064 2 F N 2.364 122.285 119.950 -0.049 0.000 2.402 2 F HA 0.452 4.986 4.527 0.013 0.000 0.355 2 F C -0.226 175.541 175.800 -0.055 0.000 1.123 2 F CA -0.740 57.227 58.000 -0.055 0.000 1.021 2 F CB 2.154 41.104 39.000 -0.083 0.000 1.160 2 F HN -0.176 nan 8.300 nan 0.000 0.451 3 T N 5.843 120.477 114.554 0.133 0.000 2.771 3 T HA 0.641 4.999 4.350 0.013 0.000 0.291 3 T C -0.019 174.753 174.700 0.120 0.000 0.954 3 T CA -0.280 61.876 62.100 0.094 0.000 1.045 3 T CB 0.384 69.289 68.868 0.063 0.000 0.917 3 T HN 0.521 nan 8.240 nan 0.000 0.484 4 I N 0.329 120.969 120.570 0.116 0.000 3.322 4 I HA 0.896 5.074 4.170 0.013 0.000 0.313 4 I C -0.587 175.652 176.117 0.202 0.000 1.129 4 I CA -1.635 59.762 61.300 0.162 0.000 0.963 4 I CB 1.976 40.076 38.000 0.167 0.000 1.273 4 I HN 0.384 nan 8.210 nan 0.000 0.473 5 V N -0.281 119.792 119.914 0.265 0.000 2.769 5 V HA 0.727 4.855 4.120 0.013 0.000 0.312 5 V C -1.141 175.290 176.094 0.561 0.000 1.058 5 V CA -0.570 61.943 62.300 0.355 0.000 0.952 5 V CB 1.707 33.711 31.823 0.302 0.000 1.019 5 V HN 0.822 nan 8.190 nan 0.000 0.445 6 F N 2.132 122.287 119.950 0.342 0.000 2.654 6 F HA 0.741 5.275 4.527 0.011 0.000 0.308 6 F C -2.729 173.047 175.800 -0.041 0.000 1.108 6 F CA -2.096 56.036 58.000 0.221 0.000 0.957 6 F CB 2.931 42.053 39.000 0.203 0.000 1.309 6 F HN 0.410 nan 8.300 nan 0.000 0.446 7 P HA 0.001 nan 4.420 nan 0.000 0.264 7 P C 0.177 177.442 177.300 -0.059 0.000 1.183 7 P CA 0.445 63.176 63.100 -0.615 0.000 0.763 7 P CB 0.213 31.566 31.700 -0.579 0.000 0.807 8 H N 2.017 121.032 119.070 -0.091 0.000 2.529 8 H HA 0.061 4.625 4.556 0.012 0.000 0.277 8 H C 0.028 175.391 175.328 0.059 0.000 0.999 8 H CA 0.532 56.602 56.048 0.036 0.000 1.256 8 H CB -0.222 29.550 29.762 0.017 0.000 1.402 8 H HN 0.267 nan 8.280 nan 0.000 0.566 9 N N 1.606 120.033 118.700 -0.454 0.000 2.482 9 N HA -0.005 4.743 4.740 0.013 0.000 0.260 9 N C 0.703 176.169 175.510 -0.074 0.000 1.236 9 N CA 0.117 52.968 53.050 -0.331 0.000 0.938 9 N CB 1.097 39.507 38.487 -0.130 0.000 1.128 9 N HN 0.510 nan 8.380 nan 0.000 0.448 10 Q N -0.020 119.612 119.800 -0.280 0.000 2.217 10 Q HA 0.101 4.448 4.340 0.013 0.000 0.217 10 Q C -0.208 175.080 176.000 -1.188 0.000 0.844 10 Q CA 0.259 55.779 55.803 -0.473 0.000 0.957 10 Q CB 0.699 29.260 28.738 -0.295 0.000 1.127 10 Q HN 0.492 nan 8.270 nan 0.000 0.503 11 K N -0.568 119.236 120.400 -0.992 0.000 2.551 11 K HA 0.612 4.940 4.320 0.013 0.000 0.269 11 K C -0.927 175.159 176.600 -0.858 0.000 0.949 11 K CA -0.677 54.982 56.287 -1.046 0.000 0.849 11 K CB 1.624 33.719 32.500 -0.675 0.000 1.411 11 K HN -0.010 nan 8.250 nan 0.000 0.432 12 G N 0.467 108.678 108.800 -0.980 0.000 2.537 12 G HA2 0.269 4.237 3.960 0.013 0.000 0.323 12 G HA3 0.269 4.237 3.960 0.013 0.000 0.323 12 G C -1.110 172.940 174.900 -1.417 0.000 1.207 12 G CA -0.814 43.068 45.100 -2.030 0.000 0.976 12 G HN 0.652 nan 8.290 nan 0.000 0.487 13 N N 0.605 118.485 118.700 -1.368 0.000 2.817 13 N HA 0.112 4.860 4.740 0.013 0.000 0.234 13 N C -0.900 174.323 175.510 -0.478 0.000 1.066 13 N CA -0.499 52.146 53.050 -0.676 0.000 0.926 13 N CB 0.513 38.744 38.487 -0.427 0.000 1.176 13 N HN 0.406 nan 8.380 nan 0.000 0.506 14 W N 3.004 124.206 121.300 -0.164 0.000 2.308 14 W HA 0.183 4.851 4.660 0.014 0.000 0.324 14 W C 0.595 177.086 176.519 -0.048 0.000 1.387 14 W CA -0.469 56.846 57.345 -0.050 0.000 1.250 14 W CB 0.692 30.164 29.460 0.020 0.000 1.257 14 W HN 0.072 nan 8.180 nan 0.000 0.554 15 K N 2.476 122.991 120.400 0.192 0.000 2.340 15 K HA 0.286 4.614 4.320 0.013 0.000 0.244 15 K C -0.115 176.664 176.600 0.298 0.000 0.973 15 K CA -1.220 55.147 56.287 0.134 0.000 0.828 15 K CB 1.194 33.675 32.500 -0.032 0.000 1.226 15 K HN 0.296 nan 8.250 nan 0.000 0.437 16 N N 0.593 119.455 118.700 0.270 0.000 2.441 16 N HA 0.021 4.769 4.740 0.013 0.000 0.251 16 N C -0.606 175.171 175.510 0.446 0.000 1.242 16 N CA -0.007 53.227 53.050 0.307 0.000 0.898 16 N CB 0.667 39.276 38.487 0.204 0.000 1.100 16 N HN 0.156 nan 8.380 nan 0.000 0.443 17 V N 3.937 124.099 119.914 0.415 0.000 2.455 17 V HA 0.161 4.289 4.120 0.013 0.000 0.273 17 V C -1.731 174.472 176.094 0.182 0.000 1.045 17 V CA -1.258 61.234 62.300 0.321 0.000 0.976 17 V CB 0.658 32.681 31.823 0.332 0.000 0.993 17 V HN 0.579 nan 8.190 nan 0.000 0.475 18 P HA 0.071 nan 4.420 nan 0.000 0.266 18 P C 0.992 178.262 177.300 -0.049 0.000 1.195 18 P CA 0.035 63.167 63.100 0.054 0.000 0.768 18 P CB 0.588 32.307 31.700 0.033 0.000 0.838 19 S N 1.712 117.393 115.700 -0.032 0.000 2.419 19 S HA -0.198 4.280 4.470 0.013 0.000 0.235 19 S C 1.148 175.653 174.600 -0.158 0.000 1.019 19 S CA 1.284 59.452 58.200 -0.053 0.000 0.982 19 S CB -0.880 62.331 63.200 0.018 0.000 0.789 19 S HN 0.625 nan 8.310 nan 0.000 0.490 20 N N -0.218 118.398 118.700 -0.140 0.000 2.279 20 N HA 0.067 4.815 4.740 0.013 0.000 0.226 20 N C -0.676 174.723 175.510 -0.185 0.000 1.126 20 N CA -0.563 52.410 53.050 -0.129 0.000 0.846 20 N CB -0.489 37.974 38.487 -0.040 0.000 1.050 20 N HN 0.570 nan 8.380 nan 0.000 0.502 21 Y N 0.845 120.782 120.300 -0.605 0.000 2.488 21 Y HA 0.361 4.918 4.550 0.012 0.000 0.330 21 Y C -1.408 173.948 175.900 -0.908 0.000 1.013 21 Y CA -1.515 56.258 58.100 -0.545 0.000 1.304 21 Y CB 0.305 38.560 38.460 -0.342 0.000 1.098 21 Y HN 0.123 nan 8.280 nan 0.000 0.498 22 H N 5.315 123.858 119.070 -0.880 0.000 2.418 22 H HA 0.179 4.743 4.556 0.013 0.000 0.238 22 H C -1.066 173.726 175.328 -0.894 0.000 1.403 22 H CA -0.708 54.386 56.048 -1.589 0.000 1.419 22 H CB 0.033 28.787 29.762 -1.681 0.000 1.463 22 H HN 0.632 nan 8.280 nan 0.000 0.515 23 Y N 1.418 121.276 120.300 -0.736 0.000 2.811 23 Y HA 0.031 4.589 4.550 0.013 0.000 0.334 23 Y C -0.277 175.747 175.900 0.207 0.000 1.247 23 Y CA -0.004 57.971 58.100 -0.208 0.000 1.526 23 Y CB 0.298 38.694 38.460 -0.107 0.000 1.284 23 Y HN 0.535 nan 8.280 nan 0.000 0.586 24 c N 9.036 127.242 118.600 -0.657 0.000 2.547 24 c HA 0.274 4.852 4.570 0.013 0.000 0.313 24 c C -1.123 172.497 174.090 -0.783 0.000 1.191 24 c CA -1.136 54.939 56.329 -0.424 0.000 1.474 24 c CB 1.977 44.472 42.510 -0.025 0.000 2.081 24 c HN 0.725 nan 8.230 nan 0.000 0.476 25 P HA -0.151 nan 4.420 nan 0.000 0.216 25 P C 1.410 178.724 177.300 0.022 0.000 1.150 25 P CA 1.762 64.820 63.100 -0.070 0.000 0.843 25 P CB 0.018 31.768 31.700 0.082 0.000 0.787 26 S N -1.020 114.762 115.700 0.136 0.000 2.603 26 S HA -0.066 4.412 4.470 0.013 0.000 0.229 26 S C 1.824 176.722 174.600 0.496 0.000 0.972 26 S CA 0.841 59.249 58.200 0.347 0.000 0.935 26 S CB -1.454 62.086 63.200 0.567 0.000 0.769 26 S HN 0.256 nan 8.310 nan 0.000 0.536 27 S N 2.110 117.925 115.700 0.192 0.000 2.469 27 S HA -0.108 4.370 4.470 0.013 0.000 0.238 27 S C 1.765 176.456 174.600 0.152 0.000 0.998 27 S CA 1.002 59.221 58.200 0.032 0.000 0.957 27 S CB -0.832 62.242 63.200 -0.210 0.000 0.764 27 S HN 0.797 nan 8.310 nan 0.000 0.514 28 S N 0.035 115.848 115.700 0.188 0.000 2.556 28 S HA 0.155 4.633 4.470 0.013 0.000 0.216 28 S C 0.217 174.903 174.600 0.144 0.000 0.970 28 S CA -0.276 58.018 58.200 0.156 0.000 0.912 28 S CB -0.334 62.950 63.200 0.141 0.000 0.790 28 S HN 0.393 nan 8.310 nan 0.000 0.504 29 D N 1.950 122.474 120.400 0.206 0.000 2.346 29 D HA 0.153 4.801 4.640 0.013 0.000 0.260 29 D C 0.939 177.216 176.300 -0.039 0.000 1.252 29 D CA -0.125 53.895 54.000 0.033 0.000 0.895 29 D CB 0.559 41.294 40.800 -0.110 0.000 1.097 29 D HN 0.256 nan 8.370 nan 0.000 0.489 30 L N 3.737 124.834 121.223 -0.209 0.000 2.456 30 L HA -0.097 4.251 4.340 0.013 0.000 0.224 30 L C 1.975 178.430 176.870 -0.691 0.000 1.148 30 L CA 0.319 54.871 54.840 -0.481 0.000 0.825 30 L CB -0.214 41.405 42.059 -0.735 0.000 0.937 30 L HN 0.416 nan 8.230 nan 0.000 0.450 31 N N -0.167 118.236 118.700 -0.495 0.000 2.381 31 N HA -0.149 4.599 4.740 0.013 0.000 0.182 31 N C 1.085 176.454 175.510 -0.235 0.000 1.025 31 N CA 1.439 54.248 53.050 -0.403 0.000 0.888 31 N CB 0.124 38.393 38.487 -0.363 0.000 0.965 31 N HN 0.609 nan 8.380 nan 0.000 0.438 32 W N -1.199 119.869 121.300 -0.386 0.000 1.807 32 W HA 0.349 5.017 4.660 0.013 0.000 0.251 32 W C -0.368 175.798 176.519 -0.589 0.000 0.848 32 W CA -0.362 56.719 57.345 -0.441 0.000 1.157 32 W CB -1.153 28.022 29.460 -0.475 0.000 0.992 32 W HN -0.067 nan 8.180 nan 0.000 0.506 33 H N 1.981 121.188 119.070 0.229 0.000 2.551 33 H HA 0.210 4.774 4.556 0.013 0.000 0.238 33 H C 0.351 175.633 175.328 -0.077 0.000 1.345 33 H CA 0.119 56.180 56.048 0.023 0.000 1.105 33 H CB -0.641 29.141 29.762 0.034 0.000 1.805 33 H HN 0.303 nan 8.280 nan 0.000 0.553 34 N N -0.589 118.065 118.700 -0.078 0.000 2.336 34 N HA -0.064 4.684 4.740 0.013 0.000 0.189 34 N C 0.055 175.540 175.510 -0.042 0.000 1.113 34 N CA 0.075 53.032 53.050 -0.155 0.000 0.858 34 N CB 0.408 38.648 38.487 -0.410 0.000 0.970 34 N HN -0.055 nan 8.380 nan 0.000 0.471 35 D N -1.153 119.253 120.400 0.009 0.000 3.059 35 D HA -0.163 4.485 4.640 0.013 0.000 0.222 35 D C -0.828 175.492 176.300 0.034 0.000 1.185 35 D CA 1.042 55.057 54.000 0.024 0.000 0.904 35 D CB -0.892 39.919 40.800 0.018 0.000 1.122 35 D HN 0.427 nan 8.370 nan 0.000 0.410 36 L N -0.503 120.752 121.223 0.053 0.000 2.298 36 L HA 0.649 4.997 4.340 0.013 0.000 0.268 36 L C 0.407 177.380 176.870 0.171 0.000 1.010 36 L CA -1.183 53.716 54.840 0.099 0.000 0.812 36 L CB 1.276 43.408 42.059 0.122 0.000 1.331 36 L HN -0.165 nan 8.230 nan 0.000 0.450 37 I N 0.258 120.903 120.570 0.125 0.000 2.406 37 I HA 0.395 4.573 4.170 0.013 0.000 0.290 37 I C 0.302 176.369 176.117 -0.084 0.000 0.999 37 I CA -0.363 60.975 61.300 0.064 0.000 1.124 37 I CB 1.884 39.888 38.000 0.008 0.000 1.289 37 I HN 0.591 nan 8.210 nan 0.000 0.441 38 G N 3.078 111.725 108.800 -0.255 0.000 2.372 38 G HA2 0.503 4.471 3.960 0.013 0.000 0.283 38 G HA3 0.503 4.471 3.960 0.013 0.000 0.283 38 G C -0.601 174.062 174.900 -0.396 0.000 1.177 38 G CA -0.093 44.524 45.100 -0.806 0.000 0.842 38 G HN 0.478 nan 8.290 nan 0.000 0.503 39 T N -0.132 114.220 114.554 -0.337 0.000 2.900 39 T HA 0.630 4.988 4.350 0.013 0.000 0.295 39 T C 0.164 174.806 174.700 -0.097 0.000 1.044 39 T CA -0.057 61.963 62.100 -0.133 0.000 0.995 39 T CB 1.288 70.143 68.868 -0.021 0.000 1.072 39 T HN 1.015 nan 8.240 nan 0.000 0.473 40 A N 4.043 126.827 122.820 -0.060 0.000 2.440 40 A HA 0.626 4.954 4.320 0.013 0.000 0.251 40 A C -0.057 177.522 177.584 -0.008 0.000 1.089 40 A CA -0.433 51.580 52.037 -0.041 0.000 0.779 40 A CB -0.183 18.797 19.000 -0.033 0.000 1.022 40 A HN 0.864 nan 8.150 nan 0.000 0.492 41 I N 2.061 122.625 120.570 -0.010 0.000 2.478 41 I HA 0.246 4.424 4.170 0.013 0.000 0.287 41 I C -0.445 175.650 176.117 -0.037 0.000 1.042 41 I CA -0.397 60.895 61.300 -0.013 0.000 1.067 41 I CB 1.549 39.548 38.000 -0.001 0.000 1.233 41 I HN 0.799 nan 8.210 nan 0.000 0.431 42 Q N 6.625 126.409 119.800 -0.027 0.000 2.288 42 Q HA 0.492 4.840 4.340 0.013 0.000 0.258 42 Q C -1.039 174.937 176.000 -0.041 0.000 0.957 42 Q CA -0.288 55.499 55.803 -0.028 0.000 0.919 42 Q CB 1.451 30.181 28.738 -0.013 0.000 1.185 42 Q HN 0.611 nan 8.270 nan 0.000 0.408 43 V N 0.387 120.270 119.914 -0.051 0.000 3.182 43 V HA 0.677 4.805 4.120 0.013 0.000 0.308 43 V C -1.465 174.610 176.094 -0.032 0.000 1.240 43 V CA -1.119 61.148 62.300 -0.054 0.000 1.063 43 V CB 2.357 34.116 31.823 -0.106 0.000 1.076 43 V HN 0.652 nan 8.190 nan 0.000 0.446 44 K N 1.765 122.147 120.400 -0.030 0.000 2.345 44 K HA 0.726 5.054 4.320 0.013 0.000 0.255 44 K C -1.179 175.464 176.600 0.071 0.000 0.934 44 K CA -0.600 55.690 56.287 0.006 0.000 0.801 44 K CB 2.166 34.658 32.500 -0.013 0.000 1.137 44 K HN 0.696 nan 8.250 nan 0.000 0.424 45 M N 3.727 123.380 119.600 0.089 0.000 2.436 45 M HA 0.375 4.863 4.480 0.013 0.000 0.331 45 M C -2.390 173.999 176.300 0.149 0.000 1.135 45 M CA -2.239 53.150 55.300 0.148 0.000 0.987 45 M CB 2.085 34.736 32.600 0.086 0.000 1.687 45 M HN 0.291 nan 8.290 nan 0.000 0.445 46 P HA 0.068 nan 4.420 nan 0.000 0.268 46 P C -1.125 176.257 177.300 0.137 0.000 1.204 46 P CA 0.060 63.274 63.100 0.190 0.000 0.768 46 P CB 0.642 32.431 31.700 0.147 0.000 0.842 47 K N 1.849 122.326 120.400 0.129 0.000 2.174 47 K HA 0.182 4.510 4.320 0.013 0.000 0.275 47 K C 0.379 177.158 176.600 0.298 0.000 1.015 47 K CA -0.440 55.916 56.287 0.115 0.000 0.933 47 K CB 0.654 33.184 32.500 0.050 0.000 1.025 47 K HN 0.364 nan 8.250 nan 0.000 0.463 48 S N 3.446 119.259 115.700 0.189 0.000 2.563 48 S HA -0.046 4.432 4.470 0.013 0.000 0.294 48 S C -0.530 174.225 174.600 0.259 0.000 1.279 48 S CA 0.118 58.416 58.200 0.164 0.000 1.069 48 S CB -0.121 63.099 63.200 0.032 0.000 0.828 48 S HN 0.770 nan 8.310 nan 0.000 0.497 49 H N 1.438 120.590 119.070 0.136 0.000 3.003 49 H HA 0.481 5.045 4.556 0.014 0.000 0.327 49 H C -1.346 174.046 175.328 0.106 0.000 1.353 49 H CA -1.186 54.920 56.048 0.096 0.000 1.142 49 H CB 0.004 29.811 29.762 0.074 0.000 1.864 49 H HN 0.324 nan 8.280 nan 0.000 0.529 50 K N 0.821 121.279 120.400 0.097 0.000 2.355 50 K HA 0.399 4.727 4.320 0.013 0.000 0.270 50 K C 0.230 176.859 176.600 0.049 0.000 1.003 50 K CA 0.227 56.537 56.287 0.038 0.000 0.957 50 K CB 0.292 32.822 32.500 0.050 0.000 0.939 50 K HN 0.741 nan 8.250 nan 0.000 0.482 51 A N 3.785 126.614 122.820 0.015 0.000 2.583 51 A HA -0.057 4.271 4.320 0.013 0.000 0.249 51 A C 0.042 177.665 177.584 0.065 0.000 1.035 51 A CA 0.218 52.274 52.037 0.032 0.000 0.777 51 A CB -0.893 18.124 19.000 0.028 0.000 0.942 51 A HN 0.651 nan 8.150 nan 0.000 0.516 52 I N 3.783 124.401 120.570 0.080 0.000 2.505 52 I HA 0.030 4.208 4.170 0.013 0.000 0.287 52 I C 0.617 176.780 176.117 0.078 0.000 1.104 52 I CA 0.255 61.599 61.300 0.074 0.000 1.387 52 I CB 0.280 38.309 38.000 0.048 0.000 1.404 52 I HN 0.646 nan 8.210 nan 0.000 0.528 53 Q N 6.175 126.017 119.800 0.070 0.000 2.235 53 Q HA 0.788 5.136 4.340 0.013 0.000 0.256 53 Q C -0.667 175.402 176.000 0.115 0.000 0.951 53 Q CA -0.875 54.987 55.803 0.098 0.000 0.890 53 Q CB 2.497 31.270 28.738 0.059 0.000 1.279 53 Q HN 0.710 nan 8.270 nan 0.000 0.444 54 A N 1.912 124.844 122.820 0.188 0.000 2.371 54 A HA 0.457 4.784 4.320 0.013 0.000 0.311 54 A C -0.962 176.732 177.584 0.183 0.000 1.068 54 A CA -0.768 51.397 52.037 0.213 0.000 0.744 54 A CB 1.063 20.313 19.000 0.417 0.000 1.239 54 A HN 0.599 nan 8.150 nan 0.000 0.435 55 D N 0.844 121.306 120.400 0.102 0.000 2.304 55 D HA 0.593 5.241 4.640 0.013 0.000 0.250 55 D C 0.468 176.745 176.300 -0.038 0.000 1.107 55 D CA 0.986 55.000 54.000 0.023 0.000 0.885 55 D CB 1.817 42.599 40.800 -0.030 0.000 1.192 55 D HN 0.838 nan 8.370 nan 0.000 0.436 56 G N 0.737 109.426 108.800 -0.185 0.000 2.663 56 G HA2 0.545 4.513 3.960 0.013 0.000 0.299 56 G HA3 0.545 4.513 3.960 0.013 0.000 0.299 56 G C -2.003 172.451 174.900 -0.743 0.000 1.372 56 G CA -0.884 43.904 45.100 -0.518 0.000 0.781 56 G HN 0.371 nan 8.290 nan 0.000 0.491 57 W N 0.006 120.950 121.300 -0.593 0.000 2.781 57 W HA 0.613 5.281 4.660 0.014 0.000 0.333 57 W C -0.239 176.136 176.519 -0.240 0.000 1.047 57 W CA -0.853 56.306 57.345 -0.310 0.000 1.236 57 W CB 2.100 31.356 29.460 -0.340 0.000 1.394 57 W HN 0.099 nan 8.180 nan 0.000 0.466 58 M N 3.687 123.408 119.600 0.202 0.000 2.143 58 M HA 0.156 4.644 4.480 0.013 0.000 0.348 58 M C -0.197 176.162 176.300 0.098 0.000 1.375 58 M CA -0.300 55.096 55.300 0.160 0.000 1.124 58 M CB 0.433 33.084 32.600 0.086 0.000 1.669 58 M HN 0.562 nan 8.290 nan 0.000 0.469 59 c N 6.321 124.971 118.600 0.084 0.000 2.281 59 c HA 0.663 5.240 4.570 0.013 0.000 0.325 59 c C -0.508 173.617 174.090 0.058 0.000 1.282 59 c CA -0.269 56.054 56.329 -0.011 0.000 1.640 59 c CB -0.202 42.231 42.510 -0.128 0.000 2.288 59 c HN 0.928 nan 8.230 nan 0.000 0.507 60 H N 3.683 122.708 119.070 -0.076 0.000 2.771 60 H HA 0.706 5.269 4.556 0.013 0.000 0.361 60 H C -0.632 174.629 175.328 -0.111 0.000 1.108 60 H CA 0.275 56.276 56.048 -0.078 0.000 1.201 60 H CB 1.747 31.483 29.762 -0.043 0.000 1.681 60 H HN 0.952 nan 8.280 nan 0.000 0.534 61 A N 3.135 125.498 122.820 -0.762 0.000 2.380 61 A HA 0.767 5.095 4.320 0.013 0.000 0.315 61 A C -0.934 176.290 177.584 -0.600 0.000 1.101 61 A CA -0.551 51.106 52.037 -0.632 0.000 0.771 61 A CB 1.663 20.090 19.000 -0.955 0.000 1.287 61 A HN 0.622 nan 8.150 nan 0.000 0.436 62 S N -0.231 115.422 115.700 -0.078 0.000 2.595 62 S HA 0.529 5.006 4.470 0.013 0.000 0.281 62 S C -0.822 174.102 174.600 0.540 0.000 1.117 62 S CA -0.646 57.690 58.200 0.225 0.000 0.873 62 S CB 1.723 65.115 63.200 0.320 0.000 1.108 62 S HN 0.680 nan 8.310 nan 0.000 0.477 63 K N 1.387 122.090 120.400 0.506 0.000 2.240 63 K HA 0.342 4.670 4.320 0.013 0.000 0.271 63 K C -1.755 175.072 176.600 0.378 0.000 1.018 63 K CA -0.424 56.112 56.287 0.416 0.000 0.874 63 K CB 0.531 33.182 32.500 0.251 0.000 1.098 63 K HN 0.487 nan 8.250 nan 0.000 0.458 64 W N 4.187 125.512 121.300 0.042 0.000 2.316 64 W HA 0.314 4.982 4.660 0.013 0.000 0.308 64 W C -0.720 175.904 176.519 0.175 0.000 1.106 64 W CA -0.607 56.732 57.345 -0.009 0.000 1.262 64 W CB 1.288 30.532 29.460 -0.360 0.000 1.233 64 W HN 0.093 nan 8.180 nan 0.000 0.447 65 V N 3.739 123.940 119.914 0.478 0.000 2.384 65 V HA 0.414 4.542 4.120 0.013 0.000 0.287 65 V C -0.012 176.280 176.094 0.330 0.000 1.020 65 V CA -0.828 61.676 62.300 0.340 0.000 0.850 65 V CB 1.534 33.475 31.823 0.196 0.000 0.987 65 V HN 0.423 nan 8.190 nan 0.000 0.436 66 T N 3.462 118.169 114.554 0.256 0.000 2.743 66 T HA 0.335 4.693 4.350 0.013 0.000 0.292 66 T C 0.173 174.919 174.700 0.076 0.000 0.972 66 T CA -0.150 62.026 62.100 0.127 0.000 0.967 66 T CB 0.743 69.696 68.868 0.141 0.000 0.926 66 T HN 0.656 nan 8.240 nan 0.000 0.459 67 T N 2.812 117.387 114.554 0.035 0.000 2.758 67 T HA 0.298 4.656 4.350 0.013 0.000 0.285 67 T C -0.101 174.619 174.700 0.033 0.000 0.981 67 T CA -0.448 61.676 62.100 0.040 0.000 0.965 67 T CB 0.376 69.266 68.868 0.036 0.000 0.927 67 T HN 0.750 nan 8.240 nan 0.000 0.448 68 c N 5.173 123.801 118.600 0.046 0.000 2.239 68 c HA 0.397 4.974 4.570 0.013 0.000 0.325 68 c C 0.240 174.383 174.090 0.089 0.000 1.231 68 c CA -0.922 55.436 56.329 0.047 0.000 1.652 68 c CB -0.952 41.579 42.510 0.035 0.000 2.284 68 c HN 0.851 nan 8.230 nan 0.000 0.499 69 D N 4.626 125.090 120.400 0.108 0.000 2.468 69 D HA 0.120 4.768 4.640 0.013 0.000 0.218 69 D C -0.385 176.033 176.300 0.197 0.000 1.155 69 D CA -0.352 53.737 54.000 0.149 0.000 0.924 69 D CB -0.067 40.825 40.800 0.152 0.000 1.029 69 D HN 0.654 nan 8.370 nan 0.000 0.515 70 F N 5.074 125.036 119.950 0.020 0.000 2.515 70 F HA 0.222 4.757 4.527 0.013 0.000 0.353 70 F C 0.935 176.702 175.800 -0.055 0.000 1.213 70 F CA -1.192 56.803 58.000 -0.009 0.000 1.194 70 F CB 0.153 39.171 39.000 0.030 0.000 1.488 70 F HN 0.018 nan 8.300 nan 0.000 0.619 71 R N 4.626 125.251 120.500 0.209 0.000 2.758 71 R HA -0.192 4.156 4.340 0.013 0.000 0.263 71 R C 1.303 177.495 176.300 -0.180 0.000 1.010 71 R CA 0.360 56.408 56.100 -0.087 0.000 1.114 71 R CB 0.223 30.241 30.300 -0.470 0.000 0.985 71 R HN 0.829 nan 8.270 nan 0.000 0.439 72 W N 3.156 124.306 121.300 -0.250 0.000 2.595 72 W HA -0.124 4.544 4.660 0.013 0.000 0.257 72 W C 0.476 177.029 176.519 0.056 0.000 1.267 72 W CA 0.266 57.471 57.345 -0.234 0.000 1.300 72 W CB -0.377 28.991 29.460 -0.154 0.000 1.120 72 W HN 0.630 nan 8.180 nan 0.000 0.618 73 Y N 0.170 120.176 120.300 -0.491 0.000 2.756 73 Y HA 0.656 5.214 4.550 0.013 0.000 0.300 73 Y C 1.114 176.922 175.900 -0.153 0.000 1.113 73 Y CA -0.752 57.045 58.100 -0.505 0.000 1.291 73 Y CB -0.328 37.475 38.460 -1.095 0.000 1.175 73 Y HN 0.072 nan 8.280 nan 0.000 0.534 74 G N 0.239 109.006 108.800 -0.055 0.000 3.405 74 G HA2 -0.235 3.733 3.960 0.013 0.000 0.246 74 G HA3 -0.235 3.733 3.960 0.013 0.000 0.246 74 G C -2.338 172.544 174.900 -0.031 0.000 1.852 74 G CA -0.582 44.533 45.100 0.027 0.000 1.510 74 G HN 0.304 nan 8.290 nan 0.000 0.570 75 P HA 0.314 nan 4.420 nan 0.000 0.261 75 P C -0.327 176.747 177.300 -0.378 0.000 1.173 75 P CA 0.734 63.614 63.100 -0.367 0.000 0.760 75 P CB 0.386 31.803 31.700 -0.472 0.000 0.783 76 K N 2.990 123.119 120.400 -0.452 0.000 2.201 76 K HA 0.322 4.650 4.320 0.013 0.000 0.278 76 K C -0.707 175.601 176.600 -0.487 0.000 1.027 76 K CA -0.335 55.710 56.287 -0.404 0.000 0.909 76 K CB 0.620 32.846 32.500 -0.457 0.000 1.062 76 K HN 0.392 nan 8.250 nan 0.000 0.465 77 Y N 2.884 123.133 120.300 -0.086 0.000 2.356 77 Y HA 0.339 4.896 4.550 0.013 0.000 0.334 77 Y C -0.296 175.568 175.900 -0.061 0.000 0.958 77 Y CA -0.846 57.215 58.100 -0.064 0.000 1.196 77 Y CB 0.720 39.156 38.460 -0.040 0.000 1.137 77 Y HN 0.337 nan 8.280 nan 0.000 0.485 78 I N 3.747 124.343 120.570 0.043 0.000 2.339 78 I HA 0.440 4.618 4.170 0.013 0.000 0.290 78 I C 0.226 176.335 176.117 -0.014 0.000 0.994 78 I CA -0.278 61.022 61.300 -0.001 0.000 1.191 78 I CB 1.461 39.433 38.000 -0.047 0.000 1.343 78 I HN 0.603 nan 8.210 nan 0.000 0.458 79 T N 1.936 116.473 114.554 -0.028 0.000 2.940 79 T HA 0.762 5.120 4.350 0.013 0.000 0.288 79 T C -0.558 174.051 174.700 -0.152 0.000 1.045 79 T CA -0.905 61.150 62.100 -0.075 0.000 1.018 79 T CB 1.855 70.698 68.868 -0.043 0.000 1.151 79 T HN 0.400 nan 8.240 nan 0.000 0.529 80 Q N 0.572 120.228 119.800 -0.240 0.000 2.304 80 Q HA 0.620 4.968 4.340 0.013 0.000 0.270 80 Q C -1.271 174.589 176.000 -0.232 0.000 1.035 80 Q CA -0.357 55.152 55.803 -0.491 0.000 0.781 80 Q CB 2.008 30.204 28.738 -0.903 0.000 1.261 80 Q HN 1.048 nan 8.270 nan 0.000 0.444 81 S N 2.658 118.364 115.700 0.009 0.000 2.541 81 S HA 0.775 5.253 4.470 0.013 0.000 0.271 81 S C -1.111 173.605 174.600 0.193 0.000 1.133 81 S CA -0.732 57.531 58.200 0.105 0.000 0.876 81 S CB 0.913 64.143 63.200 0.050 0.000 1.105 81 S HN 0.529 nan 8.310 nan 0.000 0.470 82 I N 2.134 122.726 120.570 0.037 0.000 2.382 82 I HA 0.492 4.670 4.170 0.013 0.000 0.286 82 I C -0.075 176.031 176.117 -0.017 0.000 1.002 82 I CA -0.543 60.689 61.300 -0.113 0.000 1.135 82 I CB 1.762 39.540 38.000 -0.370 0.000 1.288 82 I HN 0.565 nan 8.210 nan 0.000 0.448 83 R N 4.144 124.672 120.500 0.047 0.000 2.288 83 R HA 0.378 4.725 4.340 0.013 0.000 0.326 83 R C -0.158 176.230 176.300 0.146 0.000 0.959 83 R CA -0.446 55.709 56.100 0.093 0.000 0.834 83 R CB 1.911 32.273 30.300 0.103 0.000 1.157 83 R HN 0.666 nan 8.270 nan 0.000 0.470 84 S N 3.428 119.203 115.700 0.125 0.000 2.576 84 S HA 0.305 4.783 4.470 0.013 0.000 0.272 84 S C -0.352 174.358 174.600 0.183 0.000 1.352 84 S CA -0.117 58.150 58.200 0.112 0.000 1.021 84 S CB 0.337 63.618 63.200 0.134 0.000 0.887 84 S HN 0.446 nan 8.310 nan 0.000 0.542 85 F N 0.383 120.309 119.950 -0.039 0.000 2.741 85 F HA 0.543 5.077 4.527 0.013 0.000 0.311 85 F C -0.853 174.912 175.800 -0.058 0.000 1.149 85 F CA -0.773 57.213 58.000 -0.024 0.000 0.930 85 F CB 1.271 40.272 39.000 0.001 0.000 1.312 85 F HN 0.474 nan 8.300 nan 0.000 0.450 86 T N 4.622 119.265 114.554 0.149 0.000 2.743 86 T HA 0.613 4.971 4.350 0.013 0.000 0.292 86 T C -2.562 172.199 174.700 0.102 0.000 0.972 86 T CA -1.619 60.474 62.100 -0.011 0.000 0.967 86 T CB 0.549 69.463 68.868 0.077 0.000 0.926 86 T HN 0.641 nan 8.240 nan 0.000 0.459 87 P HA 0.308 nan 4.420 nan 0.000 0.278 87 P C -0.366 176.992 177.300 0.098 0.000 1.266 87 P CA -0.544 62.589 63.100 0.055 0.000 0.807 87 P CB 0.706 32.335 31.700 -0.118 0.000 1.094 88 S N -0.574 115.195 115.700 0.115 0.000 2.603 88 S HA 0.119 4.597 4.470 0.013 0.000 0.268 88 S C 1.515 176.158 174.600 0.073 0.000 1.317 88 S CA -0.209 58.042 58.200 0.086 0.000 1.012 88 S CB 0.246 63.492 63.200 0.076 0.000 0.926 88 S HN 0.426 nan 8.310 nan 0.000 0.539 89 V N -0.937 119.030 119.914 0.089 0.000 2.515 89 V HA -0.107 4.021 4.120 0.013 0.000 0.250 89 V C 2.334 178.471 176.094 0.073 0.000 1.058 89 V CA 2.093 64.473 62.300 0.133 0.000 1.064 89 V CB -1.503 30.412 31.823 0.155 0.000 0.675 89 V HN 1.019 nan 8.190 nan 0.000 0.461 90 E N 0.984 121.212 120.200 0.046 0.000 2.153 90 E HA -0.246 4.112 4.350 0.013 0.000 0.194 90 E C 2.149 178.744 176.600 -0.008 0.000 0.988 90 E CA 1.881 58.291 56.400 0.017 0.000 0.811 90 E CB -0.584 29.128 29.700 0.020 0.000 0.746 90 E HN 0.760 nan 8.360 nan 0.000 0.466 91 Q N -0.475 119.327 119.800 0.003 0.000 2.083 91 Q HA -0.086 4.261 4.340 0.013 0.000 0.198 91 Q C 2.374 178.329 176.000 -0.076 0.000 0.969 91 Q CA 1.534 57.332 55.803 -0.008 0.000 0.838 91 Q CB -0.198 28.563 28.738 0.038 0.000 0.900 91 Q HN 0.416 nan 8.270 nan 0.000 0.436 92 c N 0.885 119.415 118.600 -0.116 0.000 2.432 92 c HA -0.125 4.452 4.570 0.013 0.000 0.277 92 c C 2.451 176.316 174.090 -0.375 0.000 1.249 92 c CA 0.758 56.910 56.329 -0.294 0.000 1.725 92 c CB -0.641 41.617 42.510 -0.420 0.000 2.028 92 c HN 0.474 nan 8.230 nan 0.000 0.477 93 K N 0.699 120.948 120.400 -0.252 0.000 2.063 93 K HA -0.236 4.092 4.320 0.013 0.000 0.208 93 K C 1.952 178.428 176.600 -0.207 0.000 1.048 93 K CA 2.036 58.197 56.287 -0.211 0.000 0.928 93 K CB -0.265 32.190 32.500 -0.076 0.000 0.713 93 K HN 0.567 nan 8.250 nan 0.000 0.442 94 E N 0.934 121.049 120.200 -0.142 0.000 2.038 94 E HA -0.183 4.174 4.350 0.013 0.000 0.195 94 E C 1.818 178.337 176.600 -0.135 0.000 1.000 94 E CA 2.217 58.554 56.400 -0.105 0.000 0.803 94 E CB -0.160 29.510 29.700 -0.049 0.000 0.750 94 E HN 0.088 nan 8.360 nan 0.000 0.448 95 S N -0.054 115.545 115.700 -0.169 0.000 2.370 95 S HA -0.135 4.343 4.470 0.013 0.000 0.226 95 S C 1.974 176.299 174.600 -0.459 0.000 1.033 95 S CA 1.315 59.378 58.200 -0.230 0.000 1.011 95 S CB -0.395 62.609 63.200 -0.326 0.000 0.852 95 S HN 0.302 nan 8.310 nan 0.000 0.457 96 I N 1.660 121.878 120.570 -0.586 0.000 2.163 96 I HA -0.221 3.957 4.170 0.013 0.000 0.243 96 I C 2.567 178.325 176.117 -0.599 0.000 1.085 96 I CA 1.333 62.106 61.300 -0.879 0.000 1.347 96 I CB -0.400 37.059 38.000 -0.903 0.000 1.044 96 I HN 0.331 nan 8.210 nan 0.000 0.408 97 E N 0.347 120.338 120.200 -0.349 0.000 2.077 97 E HA -0.280 4.078 4.350 0.013 0.000 0.193 97 E C 2.191 178.704 176.600 -0.146 0.000 0.989 97 E CA 1.191 57.470 56.400 -0.202 0.000 0.800 97 E CB -0.177 29.445 29.700 -0.132 0.000 0.746 97 E HN 0.610 nan 8.360 nan 0.000 0.452 98 Q N -0.160 119.567 119.800 -0.121 0.000 2.230 98 Q HA -0.076 4.272 4.340 0.013 0.000 0.202 98 Q C 1.993 177.999 176.000 0.010 0.000 0.963 98 Q CA 1.222 57.022 55.803 -0.006 0.000 0.866 98 Q CB 0.127 28.938 28.738 0.121 0.000 0.931 98 Q HN 0.198 nan 8.270 nan 0.000 0.452 99 T N 0.768 115.237 114.554 -0.143 0.000 2.814 99 T HA -0.054 4.304 4.350 0.013 0.000 0.254 99 T C 1.574 176.233 174.700 -0.068 0.000 1.037 99 T CA 0.761 62.781 62.100 -0.135 0.000 1.143 99 T CB -0.015 68.606 68.868 -0.412 0.000 0.866 99 T HN 0.146 nan 8.240 nan 0.000 0.431 100 K N 1.153 121.471 120.400 -0.136 0.000 2.127 100 K HA -0.158 4.170 4.320 0.013 0.000 0.208 100 K C 2.398 178.998 176.600 0.000 0.000 1.047 100 K CA 1.414 57.684 56.287 -0.029 0.000 0.927 100 K CB -0.122 32.344 32.500 -0.056 0.000 0.716 100 K HN 0.410 nan 8.250 nan 0.000 0.450 101 Q N -0.846 118.944 119.800 -0.017 0.000 2.436 101 Q HA -0.012 4.336 4.340 0.013 0.000 0.209 101 Q C 0.871 176.883 176.000 0.020 0.000 0.965 101 Q CA 0.643 56.447 55.803 0.001 0.000 0.910 101 Q CB 0.354 29.087 28.738 -0.008 0.000 0.980 101 Q HN 0.550 nan 8.270 nan 0.000 0.491 102 G N 0.313 109.133 108.800 0.033 0.000 2.176 102 G HA2 -0.288 3.680 3.960 0.013 0.000 0.252 102 G HA3 -0.288 3.680 3.960 0.013 0.000 0.252 102 G C 0.649 175.586 174.900 0.061 0.000 1.024 102 G CA 0.793 45.926 45.100 0.055 0.000 0.755 102 G HN 0.361 nan 8.290 nan 0.000 0.507 103 T N -1.642 112.952 114.554 0.067 0.000 2.990 103 T HA 0.180 4.538 4.350 0.013 0.000 0.249 103 T C 0.870 175.613 174.700 0.071 0.000 1.039 103 T CA 0.191 62.321 62.100 0.048 0.000 1.036 103 T CB 0.077 68.956 68.868 0.018 0.000 0.994 103 T HN 0.463 nan 8.240 nan 0.000 0.489 104 W N 3.789 125.046 121.300 -0.073 0.000 2.264 104 W HA 0.408 5.077 4.660 0.013 0.000 0.331 104 W C -0.755 175.721 176.519 -0.073 0.000 1.364 104 W CA -0.509 56.785 57.345 -0.086 0.000 1.253 104 W CB 0.261 29.657 29.460 -0.108 0.000 1.215 104 W HN 0.095 nan 8.180 nan 0.000 0.561 105 L N 4.282 125.041 121.223 -0.774 0.000 2.333 105 L HA 0.549 4.897 4.340 0.013 0.000 0.263 105 L C -0.609 175.247 176.870 -1.690 0.000 1.014 105 L CA -1.264 53.079 54.840 -0.830 0.000 0.820 105 L CB 1.369 43.168 42.059 -0.434 0.000 1.352 105 L HN 0.466 nan 8.230 nan 0.000 0.421 106 N N 0.550 118.587 118.700 -1.104 0.000 2.439 106 N HA 0.468 5.216 4.740 0.013 0.000 0.249 106 N C -1.843 173.333 175.510 -0.557 0.000 1.003 106 N CA -1.932 50.617 53.050 -0.835 0.000 0.942 106 N CB 1.084 39.333 38.487 -0.398 0.000 1.115 106 N HN 0.505 nan 8.380 nan 0.000 0.505 107 P HA 0.133 nan 4.420 nan 0.000 0.228 107 P C 0.499 177.593 177.300 -0.345 0.000 1.151 107 P CA 0.647 63.519 63.100 -0.381 0.000 0.770 107 P CB -0.241 31.248 31.700 -0.352 0.000 0.786 108 G N -0.543 107.921 108.800 -0.561 0.000 2.645 108 G HA2 -0.264 3.704 3.960 0.013 0.000 0.246 108 G HA3 -0.264 3.704 3.960 0.013 0.000 0.246 108 G C -0.377 174.321 174.900 -0.335 0.000 1.322 108 G CA -0.737 44.051 45.100 -0.520 0.000 0.898 108 G HN 0.138 nan 8.290 nan 0.000 0.573 109 F N 3.062 123.139 119.950 0.212 0.000 2.572 109 F HA 0.326 4.861 4.527 0.013 0.000 0.370 109 F C -0.411 175.446 175.800 0.096 0.000 1.103 109 F CA -0.001 58.162 58.000 0.272 0.000 1.286 109 F CB 0.268 39.433 39.000 0.276 0.000 1.105 109 F HN 0.358 nan 8.300 nan 0.000 0.583 110 P HA 0.020 nan 4.420 nan 0.000 0.270 110 P C -2.514 174.869 177.300 0.138 0.000 1.227 110 P CA -0.910 62.274 63.100 0.140 0.000 0.788 110 P CB -0.426 31.353 31.700 0.132 0.000 0.926 111 P HA 0.089 nan 4.420 nan 0.000 0.274 111 P C -0.374 176.960 177.300 0.057 0.000 1.246 111 P CA -0.201 62.933 63.100 0.057 0.000 0.795 111 P CB 0.387 32.106 31.700 0.031 0.000 1.006 112 Q N -0.236 119.585 119.800 0.035 0.000 2.373 112 Q HA 0.368 4.716 4.340 0.013 0.000 0.255 112 Q C -0.449 175.569 176.000 0.030 0.000 0.980 112 Q CA -0.456 55.363 55.803 0.027 0.000 0.882 112 Q CB 0.423 29.158 28.738 -0.004 0.000 1.249 112 Q HN 0.259 nan 8.270 nan 0.000 0.438 113 S N 1.510 117.235 115.700 0.041 0.000 2.498 113 S HA 0.463 4.941 4.470 0.013 0.000 0.317 113 S C -1.307 173.335 174.600 0.070 0.000 1.090 113 S CA -0.673 57.558 58.200 0.052 0.000 1.089 113 S CB 0.668 63.901 63.200 0.056 0.000 0.997 113 S HN 0.703 nan 8.310 nan 0.000 0.470 114 c N 4.643 123.298 118.600 0.092 0.000 2.321 114 c HA 0.755 5.333 4.570 0.013 0.000 0.323 114 c C 0.844 175.106 174.090 0.287 0.000 1.191 114 c CA -0.848 55.586 56.329 0.175 0.000 1.455 114 c CB -0.061 42.489 42.510 0.067 0.000 2.083 114 c HN 0.976 nan 8.230 nan 0.000 0.442 115 G N 1.536 110.498 108.800 0.270 0.000 2.356 115 G HA2 0.487 4.455 3.960 0.013 0.000 0.322 115 G HA3 0.487 4.455 3.960 0.013 0.000 0.322 115 G C -0.879 174.133 174.900 0.186 0.000 1.125 115 G CA -0.245 44.984 45.100 0.216 0.000 0.885 115 G HN 0.764 nan 8.290 nan 0.000 0.467 116 Y N 2.397 122.609 120.300 -0.146 0.000 2.597 116 Y HA 0.254 4.812 4.550 0.013 0.000 0.336 116 Y C 1.110 176.802 175.900 -0.347 0.000 1.216 116 Y CA 0.841 58.539 58.100 -0.670 0.000 1.463 116 Y CB 0.702 38.804 38.460 -0.597 0.000 1.303 116 Y HN 1.317 nan 8.280 nan 0.000 0.576 117 A N 2.939 125.116 122.820 -1.072 0.000 2.832 117 A HA -0.212 4.116 4.320 0.013 0.000 0.280 117 A C 0.281 177.715 177.584 -0.251 0.000 1.464 117 A CA 1.440 53.062 52.037 -0.691 0.000 0.804 117 A CB -2.587 15.888 19.000 -0.875 0.000 1.020 117 A HN 1.362 nan 8.150 nan 0.000 0.563 118 T N -3.746 110.739 114.554 -0.114 0.000 2.894 118 T HA 0.624 4.982 4.350 0.013 0.000 0.309 118 T C -0.609 174.128 174.700 0.062 0.000 1.208 118 T CA -0.238 61.854 62.100 -0.013 0.000 1.016 118 T CB 1.966 70.830 68.868 -0.008 0.000 1.192 118 T HN 1.175 nan 8.240 nan 0.000 0.491 119 V N 3.006 122.954 119.914 0.055 0.000 2.348 119 V HA 0.617 4.744 4.120 0.013 0.000 0.270 119 V C 0.764 176.895 176.094 0.062 0.000 1.037 119 V CA -0.448 61.893 62.300 0.069 0.000 0.872 119 V CB 0.486 32.342 31.823 0.056 0.000 1.002 119 V HN 1.213 nan 8.190 nan 0.000 0.464 120 T N 0.568 115.167 114.554 0.074 0.000 2.885 120 T HA 0.620 4.977 4.350 0.013 0.000 0.285 120 T C -0.895 173.843 174.700 0.062 0.000 1.019 120 T CA -0.890 61.249 62.100 0.066 0.000 1.010 120 T CB 2.175 71.088 68.868 0.076 0.000 1.022 120 T HN 0.441 nan 8.240 nan 0.000 0.466 121 D N 1.210 121.644 120.400 0.057 0.000 2.192 121 D HA 0.623 5.270 4.640 0.013 0.000 0.246 121 D C -0.686 175.654 176.300 0.066 0.000 1.042 121 D CA -0.291 53.747 54.000 0.062 0.000 0.847 121 D CB 1.880 42.715 40.800 0.058 0.000 1.186 121 D HN 0.907 nan 8.370 nan 0.000 0.461 122 A N 2.190 125.060 122.820 0.083 0.000 2.330 122 A HA 0.590 4.918 4.320 0.013 0.000 0.313 122 A C -0.453 177.202 177.584 0.118 0.000 1.124 122 A CA -0.744 51.346 52.037 0.088 0.000 0.774 122 A CB 0.814 19.867 19.000 0.088 0.000 1.198 122 A HN 0.562 nan 8.150 nan 0.000 0.465 123 E N 1.410 121.669 120.200 0.098 0.000 2.266 123 E HA 0.773 5.130 4.350 0.013 0.000 0.268 123 E C -0.721 175.934 176.600 0.091 0.000 0.879 123 E CA -1.001 55.470 56.400 0.119 0.000 0.762 123 E CB 2.173 31.930 29.700 0.095 0.000 1.199 123 E HN 0.787 nan 8.360 nan 0.000 0.422 124 A N 2.463 125.352 122.820 0.115 0.000 2.374 124 A HA 0.523 4.851 4.320 0.013 0.000 0.305 124 A C -0.955 176.681 177.584 0.087 0.000 1.053 124 A CA -0.813 51.252 52.037 0.047 0.000 0.726 124 A CB 1.782 20.759 19.000 -0.038 0.000 1.229 124 A HN 0.420 nan 8.150 nan 0.000 0.431 125 V N 3.441 123.399 119.914 0.074 0.000 2.406 125 V HA 0.354 4.482 4.120 0.013 0.000 0.272 125 V C -0.401 175.749 176.094 0.093 0.000 1.043 125 V CA 0.140 62.550 62.300 0.183 0.000 0.915 125 V CB 0.781 32.721 31.823 0.195 0.000 0.988 125 V HN 0.665 nan 8.190 nan 0.000 0.466 126 I N 5.814 126.446 120.570 0.103 0.000 2.411 126 I HA 0.353 4.531 4.170 0.013 0.000 0.284 126 I C -0.446 175.750 176.117 0.132 0.000 1.012 126 I CA -0.547 60.754 61.300 0.003 0.000 1.119 126 I CB 1.946 39.753 38.000 -0.321 0.000 1.261 126 I HN 0.245 nan 8.210 nan 0.000 0.448 127 V N 6.614 126.622 119.914 0.156 0.000 2.348 127 V HA 0.271 4.399 4.120 0.013 0.000 0.270 127 V C 0.125 176.299 176.094 0.133 0.000 1.037 127 V CA -0.376 61.972 62.300 0.080 0.000 0.872 127 V CB 1.109 32.954 31.823 0.036 0.000 1.002 127 V HN 0.752 nan 8.190 nan 0.000 0.464 128 Q N 4.265 124.083 119.800 0.030 0.000 2.257 128 Q HA 0.783 5.131 4.340 0.013 0.000 0.262 128 Q C -1.783 174.047 176.000 -0.282 0.000 0.997 128 Q CA -0.536 55.190 55.803 -0.128 0.000 0.873 128 Q CB 2.382 31.171 28.738 0.085 0.000 1.312 128 Q HN 0.493 nan 8.270 nan 0.000 0.450 129 V N 2.224 121.836 119.914 -0.503 0.000 2.668 129 V HA 0.466 4.594 4.120 0.013 0.000 0.304 129 V C -1.291 174.754 176.094 -0.083 0.000 1.071 129 V CA -0.364 61.741 62.300 -0.325 0.000 0.894 129 V CB 2.575 34.056 31.823 -0.571 0.000 1.008 129 V HN 0.974 nan 8.190 nan 0.000 0.425 130 T N 7.098 121.754 114.554 0.169 0.000 2.881 130 T HA 0.474 4.832 4.350 0.013 0.000 0.290 130 T C -2.913 171.874 174.700 0.146 0.000 1.000 130 T CA -1.471 60.730 62.100 0.168 0.000 0.978 130 T CB 2.092 71.002 68.868 0.070 0.000 0.997 130 T HN 0.338 nan 8.240 nan 0.000 0.443 131 P HA 0.151 nan 4.420 nan 0.000 0.262 131 P C -0.787 176.426 177.300 -0.144 0.000 1.182 131 P CA 0.248 63.059 63.100 -0.482 0.000 0.761 131 P CB 0.119 31.604 31.700 -0.358 0.000 0.795 132 H N 1.482 120.421 119.070 -0.218 0.000 3.275 132 H HA 0.243 4.806 4.556 0.013 0.000 0.326 132 H C -0.360 175.017 175.328 0.082 0.000 1.096 132 H CA -0.686 55.347 56.048 -0.026 0.000 1.579 132 H CB 0.308 30.141 29.762 0.118 0.000 1.834 132 H HN 0.525 nan 8.280 nan 0.000 0.510 133 H N 2.757 121.720 119.070 -0.179 0.000 2.562 133 H HA 0.529 5.093 4.556 0.013 0.000 0.352 133 H C -0.003 175.254 175.328 -0.117 0.000 1.125 133 H CA -0.331 55.669 56.048 -0.080 0.000 1.379 133 H CB 1.017 30.707 29.762 -0.120 0.000 1.464 133 H HN 0.301 nan 8.280 nan 0.000 0.563 134 V N 1.248 121.169 119.914 0.011 0.000 3.155 134 V HA 0.547 4.675 4.120 0.013 0.000 0.313 134 V C -0.545 175.596 176.094 0.079 0.000 1.162 134 V CA -1.424 60.813 62.300 -0.104 0.000 1.048 134 V CB 1.692 33.349 31.823 -0.277 0.000 1.092 134 V HN 0.754 nan 8.190 nan 0.000 0.447 135 L N 0.769 122.040 121.223 0.081 0.000 2.352 135 L HA 0.721 5.068 4.340 0.013 0.000 0.269 135 L C -0.661 176.329 176.870 0.199 0.000 1.034 135 L CA -1.001 53.914 54.840 0.125 0.000 0.806 135 L CB 1.845 43.941 42.059 0.063 0.000 1.244 135 L HN 0.490 nan 8.230 nan 0.000 0.447 136 V N 0.492 120.486 119.914 0.134 0.000 2.384 136 V HA 0.163 4.291 4.120 0.013 0.000 0.287 136 V C -0.305 175.763 176.094 -0.044 0.000 1.020 136 V CA -0.592 61.732 62.300 0.039 0.000 0.850 136 V CB 1.626 33.434 31.823 -0.025 0.000 0.987 136 V HN 0.634 nan 8.190 nan 0.000 0.436 137 D N 3.843 124.200 120.400 -0.071 0.000 2.352 137 D HA 0.115 4.763 4.640 0.013 0.000 0.245 137 D C 0.992 177.173 176.300 -0.198 0.000 1.224 137 D CA 0.071 54.027 54.000 -0.072 0.000 0.879 137 D CB 1.172 41.963 40.800 -0.016 0.000 1.057 137 D HN 0.652 nan 8.370 nan 0.000 0.491 138 E N 2.604 122.642 120.200 -0.270 0.000 2.427 138 E HA -0.134 4.224 4.350 0.013 0.000 0.196 138 E C 0.812 177.016 176.600 -0.660 0.000 1.028 138 E CA 0.427 56.506 56.400 -0.534 0.000 0.864 138 E CB 0.244 29.581 29.700 -0.605 0.000 0.813 138 E HN 0.621 nan 8.360 nan 0.000 0.514 139 Y N 0.411 120.482 120.300 -0.382 0.000 2.243 139 Y HA -0.140 4.419 4.550 0.014 0.000 0.293 139 Y C 2.855 178.568 175.900 -0.312 0.000 1.124 139 Y CA 1.590 59.497 58.100 -0.321 0.000 1.159 139 Y CB -0.003 38.281 38.460 -0.293 0.000 1.008 139 Y HN 0.102 nan 8.280 nan 0.000 0.527 140 T N -5.051 109.434 114.554 -0.114 0.000 3.014 140 T HA 0.344 4.701 4.350 0.013 0.000 0.250 140 T C 1.766 176.317 174.700 -0.249 0.000 1.060 140 T CA 0.451 62.460 62.100 -0.151 0.000 1.040 140 T CB 0.112 68.936 68.868 -0.074 0.000 0.971 140 T HN 0.415 nan 8.240 nan 0.000 0.497 141 G N 1.553 110.160 108.800 -0.322 0.000 2.148 141 G HA2 -0.242 3.726 3.960 0.013 0.000 0.254 141 G HA3 -0.242 3.726 3.960 0.013 0.000 0.254 141 G C -0.240 174.385 174.900 -0.459 0.000 0.981 141 G CA 0.229 45.084 45.100 -0.408 0.000 0.670 141 G HN 0.679 nan 8.290 nan 0.000 0.528 142 E N -0.901 119.093 120.200 -0.343 0.000 2.349 142 E HA 0.419 4.776 4.350 0.013 0.000 0.265 142 E C 0.148 176.556 176.600 -0.320 0.000 1.064 142 E CA -0.799 55.398 56.400 -0.337 0.000 0.886 142 E CB 0.575 30.185 29.700 -0.149 0.000 1.036 142 E HN 0.430 nan 8.360 nan 0.000 0.413 143 W N 1.088 122.347 121.300 -0.068 0.000 2.202 143 W HA 0.355 5.023 4.660 0.013 0.000 0.332 143 W C -0.467 176.110 176.519 0.097 0.000 1.263 143 W CA -0.688 56.652 57.345 -0.009 0.000 1.223 143 W CB 0.494 29.903 29.460 -0.086 0.000 1.128 143 W HN 0.107 nan 8.180 nan 0.000 0.573 144 V N 2.406 122.547 119.914 0.379 0.000 2.531 144 V HA 0.436 4.564 4.120 0.013 0.000 0.301 144 V C -0.959 175.171 176.094 0.061 0.000 1.034 144 V CA -0.596 61.847 62.300 0.239 0.000 0.865 144 V CB 1.489 33.378 31.823 0.111 0.000 0.995 144 V HN 0.603 nan 8.190 nan 0.000 0.424 145 D N 1.951 122.295 120.400 -0.093 0.000 2.734 145 D HA 0.275 4.923 4.640 0.013 0.000 0.224 145 D C 0.794 176.871 176.300 -0.372 0.000 1.222 145 D CA -0.296 53.427 54.000 -0.461 0.000 0.761 145 D CB 2.133 42.247 40.800 -1.142 0.000 1.569 145 D HN 0.261 nan 8.370 nan 0.000 0.477 146 S N 0.951 116.495 115.700 -0.260 0.000 2.380 146 S HA -0.248 4.230 4.470 0.013 0.000 0.229 146 S C 1.567 176.062 174.600 -0.174 0.000 1.043 146 S CA 1.402 59.504 58.200 -0.164 0.000 1.038 146 S CB -0.157 62.968 63.200 -0.125 0.000 0.872 146 S HN 0.516 nan 8.310 nan 0.000 0.456 147 Q N -0.098 119.512 119.800 -0.316 0.000 2.291 147 Q HA 0.181 4.529 4.340 0.013 0.000 0.205 147 Q C 0.093 176.027 176.000 -0.110 0.000 0.970 147 Q CA 0.642 56.293 55.803 -0.252 0.000 0.876 147 Q CB -0.231 28.262 28.738 -0.408 0.000 0.935 147 Q HN 0.558 nan 8.270 nan 0.000 0.455 148 F N 0.519 120.411 119.950 -0.096 0.000 2.459 148 F HA 0.066 4.600 4.527 0.013 0.000 0.346 148 F C 0.747 176.532 175.800 -0.024 0.000 1.128 148 F CA -1.200 56.763 58.000 -0.063 0.000 1.268 148 F CB 0.469 39.425 39.000 -0.074 0.000 1.161 148 F HN -0.115 nan 8.300 nan 0.000 0.583 149 I N 4.198 124.892 120.570 0.206 0.000 2.742 149 I HA -0.173 4.005 4.170 0.013 0.000 0.287 149 I C 0.629 176.802 176.117 0.094 0.000 1.186 149 I CA 0.301 61.665 61.300 0.107 0.000 1.417 149 I CB -0.917 37.125 38.000 0.070 0.000 1.377 149 I HN 0.712 nan 8.210 nan 0.000 0.556 150 N N 4.811 123.550 118.700 0.066 0.000 2.741 150 N HA -0.208 4.540 4.740 0.013 0.000 0.251 150 N C 1.133 176.684 175.510 0.068 0.000 1.112 150 N CA 1.189 54.269 53.050 0.051 0.000 0.750 150 N CB -1.341 37.168 38.487 0.036 0.000 1.119 150 N HN 1.070 nan 8.380 nan 0.000 0.561 151 G N -0.943 107.916 108.800 0.099 0.000 2.166 151 G HA2 -0.360 3.608 3.960 0.013 0.000 0.260 151 G HA3 -0.360 3.608 3.960 0.013 0.000 0.260 151 G C -0.019 175.008 174.900 0.212 0.000 0.986 151 G CA 1.298 46.464 45.100 0.110 0.000 0.683 151 G HN 0.586 nan 8.290 nan 0.000 0.527 152 K N -1.342 119.194 120.400 0.226 0.000 2.527 152 K HA 0.655 4.983 4.320 0.013 0.000 0.260 152 K C -1.058 175.532 176.600 -0.016 0.000 0.937 152 K CA -0.400 55.978 56.287 0.152 0.000 0.826 152 K CB 2.586 35.124 32.500 0.065 0.000 1.359 152 K HN 0.468 nan 8.250 nan 0.000 0.434 153 c N 0.680 119.182 118.600 -0.164 0.000 3.082 153 c HA 0.450 5.028 4.570 0.013 0.000 0.324 153 c C 0.272 174.288 174.090 -0.123 0.000 1.210 153 c CA -0.315 55.860 56.329 -0.258 0.000 1.366 153 c CB 1.525 43.607 42.510 -0.713 0.000 1.756 153 c HN 0.936 nan 8.230 nan 0.000 0.485 154 S N 2.853 118.505 115.700 -0.079 0.000 2.559 154 S HA 0.238 4.716 4.470 0.013 0.000 0.226 154 S C 0.248 174.846 174.600 -0.004 0.000 1.000 154 S CA -0.144 57.997 58.200 -0.097 0.000 0.948 154 S CB -0.154 62.997 63.200 -0.082 0.000 0.870 154 S HN 0.797 nan 8.310 nan 0.000 0.497 155 N N 0.343 119.118 118.700 0.125 0.000 2.459 155 N HA 0.298 5.046 4.740 0.013 0.000 0.288 155 N C 0.221 176.004 175.510 0.455 0.000 1.186 155 N CA -0.556 52.621 53.050 0.211 0.000 0.917 155 N CB 0.606 39.167 38.487 0.123 0.000 1.219 155 N HN 0.080 nan 8.380 nan 0.000 0.525 156 Y N 0.702 121.152 120.300 0.249 0.000 2.293 156 Y HA 0.164 4.722 4.550 0.013 0.000 0.291 156 Y C 0.074 175.997 175.900 0.038 0.000 1.137 156 Y CA 1.230 59.473 58.100 0.237 0.000 1.202 156 Y CB 0.241 38.781 38.460 0.134 0.000 0.990 156 Y HN 0.394 nan 8.280 nan 0.000 0.537 157 I N 0.465 121.047 120.570 0.021 0.000 2.433 157 I HA 0.267 4.445 4.170 0.013 0.000 0.292 157 I C -1.024 175.040 176.117 -0.089 0.000 1.001 157 I CA -0.518 60.637 61.300 -0.243 0.000 1.119 157 I CB 1.518 39.338 38.000 -0.299 0.000 1.289 157 I HN -0.119 nan 8.210 nan 0.000 0.438 158 c N 6.911 125.475 118.600 -0.060 0.000 2.455 158 c HA 0.609 5.186 4.570 0.013 0.000 0.320 158 c C -2.228 171.897 174.090 0.057 0.000 1.226 158 c CA -1.259 55.070 56.329 -0.001 0.000 1.569 158 c CB 1.722 44.175 42.510 -0.094 0.000 2.200 158 c HN 0.488 nan 8.230 nan 0.000 0.491 159 P HA 0.378 nan 4.420 nan 0.000 0.276 159 P C -0.446 176.952 177.300 0.164 0.000 1.252 159 P CA 0.262 63.417 63.100 0.092 0.000 0.802 159 P CB 0.954 32.691 31.700 0.063 0.000 1.035 160 T N -3.586 111.070 114.554 0.170 0.000 2.907 160 T HA 0.228 4.586 4.350 0.013 0.000 0.290 160 T C 1.105 175.897 174.700 0.154 0.000 1.066 160 T CA -0.723 61.492 62.100 0.192 0.000 1.012 160 T CB 0.548 69.512 68.868 0.159 0.000 1.184 160 T HN -0.008 nan 8.240 nan 0.000 0.522 161 V N 0.883 120.889 119.914 0.153 0.000 2.764 161 V HA -0.086 4.042 4.120 0.013 0.000 0.261 161 V C 0.575 176.689 176.094 0.035 0.000 1.108 161 V CA 1.833 64.196 62.300 0.105 0.000 1.129 161 V CB -1.490 30.396 31.823 0.105 0.000 0.701 161 V HN 0.827 nan 8.190 nan 0.000 0.495 162 H N -1.608 117.478 119.070 0.028 0.000 2.573 162 H HA 0.353 4.917 4.556 0.013 0.000 0.351 162 H C 1.023 176.385 175.328 0.057 0.000 1.163 162 H CA -0.388 55.681 56.048 0.035 0.000 1.205 162 H CB 0.684 30.460 29.762 0.023 0.000 1.605 162 H HN 0.012 nan 8.280 nan 0.000 0.525 163 N N 0.171 118.964 118.700 0.155 0.000 2.004 163 N HA -0.220 4.527 4.740 0.013 0.000 0.196 163 N C 1.716 177.298 175.510 0.121 0.000 1.064 163 N CA 1.494 54.612 53.050 0.113 0.000 0.855 163 N CB -0.061 38.478 38.487 0.088 0.000 1.056 163 N HN 0.455 nan 8.380 nan 0.000 0.423 164 S N 0.210 115.995 115.700 0.141 0.000 2.447 164 S HA -0.094 4.384 4.470 0.013 0.000 0.233 164 S C 0.858 175.510 174.600 0.087 0.000 1.006 164 S CA 0.862 59.095 58.200 0.056 0.000 0.957 164 S CB -0.285 62.863 63.200 -0.088 0.000 0.773 164 S HN 0.311 nan 8.310 nan 0.000 0.507 165 T N 2.031 116.703 114.554 0.197 0.000 2.771 165 T HA 0.530 4.888 4.350 0.013 0.000 0.291 165 T C -0.178 174.613 174.700 0.152 0.000 0.954 165 T CA -0.190 62.024 62.100 0.190 0.000 1.045 165 T CB 0.914 69.892 68.868 0.184 0.000 0.917 165 T HN 0.478 nan 8.240 nan 0.000 0.484 166 T N 2.280 116.931 114.554 0.162 0.000 2.930 166 T HA 0.639 4.997 4.350 0.013 0.000 0.290 166 T C -1.287 173.581 174.700 0.279 0.000 1.052 166 T CA -1.028 61.183 62.100 0.185 0.000 1.017 166 T CB 1.340 70.284 68.868 0.126 0.000 1.137 166 T HN 0.766 nan 8.240 nan 0.000 0.511 167 W N 1.775 123.105 121.300 0.050 0.000 2.587 167 W HA 0.553 5.222 4.660 0.014 0.000 0.324 167 W C -0.874 175.589 176.519 -0.092 0.000 1.040 167 W CA -0.587 56.793 57.345 0.058 0.000 1.222 167 W CB 1.066 30.590 29.460 0.105 0.000 1.381 167 W HN 0.759 nan 8.180 nan 0.000 0.483 168 H N 3.588 122.121 119.070 -0.895 0.000 2.489 168 H HA 0.330 4.894 4.556 0.013 0.000 0.343 168 H C -0.088 174.295 175.328 -1.576 0.000 1.086 168 H CA -0.727 54.749 56.048 -0.953 0.000 1.198 168 H CB 1.973 31.428 29.762 -0.511 0.000 1.490 168 H HN 0.399 nan 8.280 nan 0.000 0.504 169 S N 1.792 116.618 115.700 -1.455 0.000 2.562 169 S HA 0.038 4.516 4.470 0.013 0.000 0.275 169 S C 0.537 174.824 174.600 -0.523 0.000 1.281 169 S CA -0.675 56.828 58.200 -1.162 0.000 1.045 169 S CB 1.667 64.328 63.200 -0.898 0.000 0.962 169 S HN 0.522 nan 8.310 nan 0.000 0.503 170 D N 0.703 121.001 120.400 -0.170 0.000 2.117 170 D HA 0.071 4.718 4.640 0.013 0.000 0.198 170 D C -0.397 175.907 176.300 0.007 0.000 0.982 170 D CA 1.413 55.442 54.000 0.049 0.000 0.828 170 D CB -0.070 40.880 40.800 0.251 0.000 0.967 170 D HN 0.700 nan 8.370 nan 0.000 0.464 171 Y N -0.259 120.104 120.300 0.106 0.000 2.409 171 Y HA 0.349 4.907 4.550 0.013 0.000 0.339 171 Y C 0.307 176.440 175.900 0.389 0.000 1.033 171 Y CA -1.127 57.109 58.100 0.227 0.000 1.094 171 Y CB 1.422 40.001 38.460 0.197 0.000 1.210 171 Y HN -0.445 nan 8.280 nan 0.000 0.456 172 K N 1.773 122.451 120.400 0.463 0.000 2.312 172 K HA 0.129 4.456 4.320 0.013 0.000 0.287 172 K C 0.741 177.548 176.600 0.344 0.000 1.062 172 K CA -0.018 56.532 56.287 0.439 0.000 0.934 172 K CB 1.010 33.643 32.500 0.222 0.000 1.027 172 K HN 0.660 nan 8.250 nan 0.000 0.478 173 V N 4.748 124.836 119.914 0.290 0.000 2.439 173 V HA -0.313 3.815 4.120 0.013 0.000 0.253 173 V C 2.202 178.255 176.094 -0.068 0.000 1.074 173 V CA 1.922 64.202 62.300 -0.034 0.000 1.076 173 V CB -0.336 31.178 31.823 -0.514 0.000 0.664 173 V HN 0.832 nan 8.190 nan 0.000 0.461 174 K N 0.091 120.472 120.400 -0.033 0.000 2.015 174 K HA -0.198 4.130 4.320 0.013 0.000 0.216 174 K C 2.084 178.681 176.600 -0.006 0.000 1.052 174 K CA 2.193 58.452 56.287 -0.046 0.000 0.937 174 K CB -1.119 31.372 32.500 -0.016 0.000 0.719 174 K HN 0.594 nan 8.250 nan 0.000 0.446 175 G N 1.422 110.255 108.800 0.054 0.000 2.418 175 G HA2 -0.198 3.770 3.960 0.013 0.000 0.217 175 G HA3 -0.198 3.770 3.960 0.013 0.000 0.217 175 G C 1.833 176.759 174.900 0.044 0.000 1.158 175 G CA 0.711 45.854 45.100 0.072 0.000 0.771 175 G HN 0.262 nan 8.290 nan 0.000 0.545 176 L N 0.018 121.273 121.223 0.054 0.000 2.013 176 L HA -0.183 4.164 4.340 0.013 0.000 0.212 176 L C 3.065 179.870 176.870 -0.108 0.000 1.073 176 L CA 1.202 56.035 54.840 -0.011 0.000 0.753 176 L CB -0.766 41.310 42.059 0.029 0.000 0.890 176 L HN 0.263 nan 8.230 nan 0.000 0.432 177 c N -0.242 118.271 118.600 -0.145 0.000 2.453 177 c HA -0.134 4.444 4.570 0.013 0.000 0.277 177 c C 2.408 176.411 174.090 -0.145 0.000 1.262 177 c CA 0.593 56.786 56.329 -0.227 0.000 1.718 177 c CB -0.743 41.590 42.510 -0.296 0.000 2.031 177 c HN 0.532 nan 8.230 nan 0.000 0.480 178 D N 1.041 121.406 120.400 -0.058 0.000 2.264 178 D HA -0.074 4.574 4.640 0.013 0.000 0.208 178 D C 2.278 178.566 176.300 -0.020 0.000 0.966 178 D CA 1.471 55.474 54.000 0.005 0.000 0.864 178 D CB -0.340 40.494 40.800 0.056 0.000 0.933 178 D HN 0.616 nan 8.370 nan 0.000 0.499 179 S N -0.035 115.638 115.700 -0.045 0.000 2.442 179 S HA -0.126 4.352 4.470 0.013 0.000 0.236 179 S C 1.386 175.941 174.600 -0.075 0.000 1.007 179 S CA 0.731 58.903 58.200 -0.048 0.000 0.965 179 S CB -0.497 62.674 63.200 -0.049 0.000 0.773 179 S HN 0.226 nan 8.310 nan 0.000 0.504 180 N N 0.568 119.192 118.700 -0.127 0.000 2.322 180 N HA 0.342 5.090 4.740 0.013 0.000 0.194 180 N C -0.810 174.689 175.510 -0.017 0.000 1.126 180 N CA -0.021 52.950 53.050 -0.132 0.000 0.845 180 N CB 0.119 38.388 38.487 -0.364 0.000 0.976 180 N HN 0.371 nan 8.380 nan 0.000 0.475 181 L N 1.453 122.676 121.223 0.001 0.000 2.287 181 L HA 0.451 4.799 4.340 0.013 0.000 0.287 181 L C -0.806 176.072 176.870 0.013 0.000 1.022 181 L CA -0.537 54.327 54.840 0.041 0.000 0.814 181 L CB 1.589 43.672 42.059 0.039 0.000 1.217 181 L HN 0.117 nan 8.230 nan 0.000 0.420 182 I N 2.550 123.129 120.570 0.015 0.000 2.436 182 I HA 0.371 4.549 4.170 0.013 0.000 0.289 182 I C -0.260 175.854 176.117 -0.006 0.000 1.010 182 I CA -0.039 61.258 61.300 -0.006 0.000 1.098 182 I CB 2.039 40.024 38.000 -0.025 0.000 1.266 182 I HN 0.479 nan 8.210 nan 0.000 0.434 183 S N 9.258 124.956 115.700 -0.003 0.000 2.548 183 S HA 0.731 5.209 4.470 0.013 0.000 0.277 183 S C -0.024 174.581 174.600 0.009 0.000 1.315 183 S CA -0.462 57.737 58.200 -0.002 0.000 1.050 183 S CB 0.711 63.910 63.200 -0.002 0.000 0.918 183 S HN 0.671 nan 8.310 nan 0.000 0.497 184 M N 0.674 120.279 119.600 0.009 0.000 2.956 184 M HA 0.489 4.977 4.480 0.013 0.000 0.272 184 M C -2.402 173.904 176.300 0.010 0.000 1.132 184 M CA -0.977 54.339 55.300 0.026 0.000 0.805 184 M CB 1.257 33.892 32.600 0.059 0.000 1.639 184 M HN 0.186 nan 8.290 nan 0.000 0.520 185 D N 2.923 123.331 120.400 0.014 0.000 2.210 185 D HA 0.704 5.351 4.640 0.013 0.000 0.249 185 D C -0.262 176.036 176.300 -0.003 0.000 1.078 185 D CA -0.149 53.847 54.000 -0.006 0.000 0.875 185 D CB 1.758 42.551 40.800 -0.011 0.000 1.175 185 D HN 0.695 nan 8.370 nan 0.000 0.440 186 I N -2.197 118.355 120.570 -0.031 0.000 3.217 186 I HA 0.550 4.728 4.170 0.013 0.000 0.308 186 I C -0.259 175.832 176.117 -0.044 0.000 1.091 186 I CA -0.695 60.583 61.300 -0.036 0.000 1.013 186 I CB 1.808 39.791 38.000 -0.028 0.000 1.250 186 I HN -0.022 nan 8.210 nan 0.000 0.496 187 T N 2.565 117.085 114.554 -0.056 0.000 2.771 187 T HA 0.444 4.802 4.350 0.013 0.000 0.281 187 T C -0.916 173.705 174.700 -0.132 0.000 0.982 187 T CA -0.088 61.908 62.100 -0.172 0.000 0.978 187 T CB 0.816 69.514 68.868 -0.283 0.000 0.930 187 T HN 0.448 nan 8.240 nan 0.000 0.447 188 F N 3.673 123.391 119.950 -0.387 0.000 2.458 188 F HA 0.711 5.245 4.527 0.012 0.000 0.336 188 F C -1.647 173.869 175.800 -0.474 0.000 1.114 188 F CA -1.397 56.371 58.000 -0.386 0.000 0.987 188 F CB 0.788 39.638 39.000 -0.250 0.000 1.130 188 F HN 0.442 nan 8.300 nan 0.000 0.458 189 F N 4.100 123.385 119.950 -1.108 0.000 2.467 189 F HA 0.572 5.107 4.527 0.014 0.000 0.336 189 F C -0.111 175.110 175.800 -0.964 0.000 1.123 189 F CA -0.455 57.109 58.000 -0.726 0.000 0.964 189 F CB 1.944 40.781 39.000 -0.271 0.000 1.136 189 F HN 0.544 nan 8.300 nan 0.000 0.447 190 S N 0.926 116.363 115.700 -0.438 0.000 2.661 190 S HA 0.332 4.809 4.470 0.013 0.000 0.285 190 S C 0.649 175.209 174.600 -0.067 0.000 1.138 190 S CA -0.847 57.200 58.200 -0.255 0.000 0.855 190 S CB 1.781 64.873 63.200 -0.182 0.000 1.136 190 S HN 0.738 nan 8.310 nan 0.000 0.484 191 E N 0.345 120.536 120.200 -0.016 0.000 2.114 191 E HA -0.249 4.109 4.350 0.013 0.000 0.199 191 E C 0.065 176.671 176.600 0.011 0.000 1.008 191 E CA 1.937 58.343 56.400 0.010 0.000 0.810 191 E CB -0.110 29.602 29.700 0.020 0.000 0.739 191 E HN 0.689 nan 8.360 nan 0.000 0.456 192 D N -1.648 118.758 120.400 0.011 0.000 2.431 192 D HA 0.153 4.801 4.640 0.013 0.000 0.213 192 D C 0.313 176.618 176.300 0.008 0.000 1.130 192 D CA 0.689 54.697 54.000 0.013 0.000 0.834 192 D CB 0.947 41.760 40.800 0.021 0.000 0.985 192 D HN 0.309 nan 8.370 nan 0.000 0.504 193 G N 2.028 110.822 108.800 -0.009 0.000 2.333 193 G HA2 -0.287 3.681 3.960 0.013 0.000 0.296 193 G HA3 -0.287 3.681 3.960 0.013 0.000 0.296 193 G C -0.306 174.620 174.900 0.043 0.000 1.059 193 G CA -0.081 45.011 45.100 -0.015 0.000 1.050 193 G HN 0.305 nan 8.290 nan 0.000 0.508 194 E N -0.668 119.587 120.200 0.092 0.000 2.145 194 E HA 0.497 4.854 4.350 0.013 0.000 0.270 194 E C 1.505 178.254 176.600 0.248 0.000 0.906 194 E CA -0.919 55.557 56.400 0.127 0.000 0.761 194 E CB 1.382 31.138 29.700 0.093 0.000 1.116 194 E HN 0.180 nan 8.360 nan 0.000 0.408 195 L N 1.756 123.089 121.223 0.182 0.000 2.127 195 L HA -0.211 4.137 4.340 0.013 0.000 0.211 195 L C 2.288 179.181 176.870 0.039 0.000 1.089 195 L CA 1.421 56.321 54.840 0.101 0.000 0.757 195 L CB -0.418 41.650 42.059 0.015 0.000 0.899 195 L HN 0.549 nan 8.230 nan 0.000 0.434 196 S N -1.884 113.855 115.700 0.065 0.000 2.528 196 S HA -0.126 4.352 4.470 0.013 0.000 0.244 196 S C 1.795 176.436 174.600 0.069 0.000 0.982 196 S CA 1.218 59.442 58.200 0.040 0.000 0.953 196 S CB -0.286 62.935 63.200 0.035 0.000 0.754 196 S HN 0.326 nan 8.310 nan 0.000 0.529 197 S N 0.886 116.689 115.700 0.171 0.000 2.558 197 S HA 0.301 4.779 4.470 0.013 0.000 0.217 197 S C 0.427 175.204 174.600 0.295 0.000 0.975 197 S CA -0.422 57.920 58.200 0.236 0.000 0.912 197 S CB -0.416 62.956 63.200 0.288 0.000 0.776 197 S HN 0.432 nan 8.310 nan 0.000 0.526 198 L N 2.211 123.495 121.223 0.100 0.000 2.615 198 L HA 0.151 4.499 4.340 0.013 0.000 0.284 198 L C 1.446 178.329 176.870 0.022 0.000 1.237 198 L CA 1.439 56.249 54.840 -0.050 0.000 0.905 198 L CB -0.863 41.072 42.059 -0.207 0.000 1.149 198 L HN 0.443 nan 8.230 nan 0.000 0.499 199 G N 3.074 111.991 108.800 0.194 0.000 2.176 199 G HA2 -0.277 3.691 3.960 0.013 0.000 0.253 199 G HA3 -0.277 3.691 3.960 0.013 0.000 0.253 199 G C 0.604 175.572 174.900 0.113 0.000 0.979 199 G CA 0.437 45.564 45.100 0.045 0.000 0.641 199 G HN 0.581 nan 8.290 nan 0.000 0.530 200 K N 0.712 121.210 120.400 0.164 0.000 2.098 200 K HA 0.487 4.815 4.320 0.013 0.000 0.257 200 K C 0.434 177.133 176.600 0.165 0.000 0.999 200 K CA -0.843 55.525 56.287 0.135 0.000 0.924 200 K CB 0.721 33.291 32.500 0.116 0.000 1.028 200 K HN 0.092 nan 8.250 nan 0.000 0.466 201 E N 0.236 120.511 120.200 0.125 0.000 2.459 201 E HA -0.042 4.316 4.350 0.013 0.000 0.264 201 E C 0.785 177.448 176.600 0.104 0.000 1.055 201 E CA 0.882 57.352 56.400 0.116 0.000 0.957 201 E CB 0.266 30.019 29.700 0.087 0.000 0.952 201 E HN 0.827 nan 8.360 nan 0.000 0.448 202 G N 1.813 110.672 108.800 0.099 0.000 2.249 202 G HA2 -0.264 3.703 3.960 0.013 0.000 0.273 202 G HA3 -0.264 3.703 3.960 0.013 0.000 0.273 202 G C 0.330 175.266 174.900 0.059 0.000 1.036 202 G CA 0.987 46.134 45.100 0.078 0.000 0.824 202 G HN 0.704 nan 8.290 nan 0.000 0.504 203 T N -2.837 111.763 114.554 0.076 0.000 2.907 203 T HA 0.920 5.278 4.350 0.013 0.000 0.290 203 T C 0.205 174.890 174.700 -0.024 0.000 1.066 203 T CA 0.045 62.130 62.100 -0.025 0.000 1.012 203 T CB 2.864 71.769 68.868 0.062 0.000 1.184 203 T HN 1.666 nan 8.240 nan 0.000 0.522 204 G N -0.125 108.540 108.800 -0.226 0.000 2.695 204 G HA2 0.682 4.650 3.960 0.013 0.000 0.290 204 G HA3 0.682 4.650 3.960 0.013 0.000 0.290 204 G C -2.051 172.609 174.900 -0.400 0.000 1.410 204 G CA -0.960 43.984 45.100 -0.260 0.000 0.844 204 G HN 0.588 nan 8.290 nan 0.000 0.478 205 F N -0.396 119.520 119.950 -0.057 0.000 2.576 205 F HA 0.813 5.348 4.527 0.012 0.000 0.313 205 F C 0.355 176.171 175.800 0.027 0.000 1.078 205 F CA -0.864 57.257 58.000 0.202 0.000 0.921 205 F CB 2.862 42.112 39.000 0.417 0.000 1.232 205 F HN 0.442 nan 8.300 nan 0.000 0.459 206 R N 0.873 121.520 120.500 0.244 0.000 2.707 206 R HA 0.757 5.105 4.340 0.013 0.000 0.272 206 R C -1.574 174.446 176.300 -0.467 0.000 1.011 206 R CA -0.523 55.505 56.100 -0.119 0.000 0.893 206 R CB 2.370 32.823 30.300 0.255 0.000 1.233 206 R HN 0.775 nan 8.270 nan 0.000 0.464 207 S N 0.149 115.330 115.700 -0.865 0.000 2.618 207 S HA 0.163 4.641 4.470 0.013 0.000 0.277 207 S C 0.490 174.887 174.600 -0.338 0.000 1.138 207 S CA -0.797 57.097 58.200 -0.510 0.000 0.844 207 S CB 1.291 64.198 63.200 -0.489 0.000 1.127 207 S HN 0.829 nan 8.310 nan 0.000 0.474 208 N N 1.496 120.042 118.700 -0.256 0.000 2.430 208 N HA -0.164 4.584 4.740 0.013 0.000 0.186 208 N C 0.880 176.174 175.510 -0.361 0.000 1.032 208 N CA 1.579 54.435 53.050 -0.323 0.000 0.893 208 N CB -0.418 37.827 38.487 -0.403 0.000 0.957 208 N HN 0.743 nan 8.380 nan 0.000 0.442 209 Y N -0.264 119.998 120.300 -0.063 0.000 2.478 209 Y HA 0.238 4.795 4.550 0.013 0.000 0.261 209 Y C 0.243 176.245 175.900 0.170 0.000 1.127 209 Y CA -0.398 57.738 58.100 0.060 0.000 1.288 209 Y CB 0.306 38.846 38.460 0.133 0.000 1.084 209 Y HN 0.075 nan 8.280 nan 0.000 0.530 210 F N -2.096 117.946 119.950 0.153 0.000 2.650 210 F HA 0.808 5.343 4.527 0.013 0.000 0.310 210 F C -0.789 175.071 175.800 0.100 0.000 1.112 210 F CA -2.289 55.779 58.000 0.114 0.000 0.986 210 F CB 0.376 39.446 39.000 0.116 0.000 1.285 210 F HN -0.253 nan 8.300 nan 0.000 0.440 211 A N 2.599 125.597 122.820 0.295 0.000 2.498 211 A HA 0.210 4.538 4.320 0.013 0.000 0.239 211 A C -0.719 177.019 177.584 0.257 0.000 1.068 211 A CA -0.191 51.966 52.037 0.200 0.000 0.766 211 A CB -0.233 18.879 19.000 0.186 0.000 1.003 211 A HN 0.983 nan 8.150 nan 0.000 0.497 212 Y N 1.561 121.904 120.300 0.071 0.000 2.944 212 Y HA 0.114 4.671 4.550 0.012 0.000 0.340 212 Y C 0.821 176.823 175.900 0.171 0.000 1.275 212 Y CA 1.799 59.944 58.100 0.075 0.000 1.590 212 Y CB 0.240 38.654 38.460 -0.077 0.000 1.218 212 Y HN 0.777 nan 8.280 nan 0.000 0.576 213 E N 2.985 123.041 120.200 -0.239 0.000 2.383 213 E HA 0.426 4.784 4.350 0.013 0.000 0.275 213 E C -1.169 175.364 176.600 -0.111 0.000 0.918 213 E CA -0.946 55.438 56.400 -0.026 0.000 0.764 213 E CB 1.264 31.056 29.700 0.154 0.000 1.252 213 E HN 0.524 nan 8.360 nan 0.000 0.449 214 T N -0.011 114.605 114.554 0.104 0.000 2.926 214 T HA 0.467 4.825 4.350 0.013 0.000 0.307 214 T C 0.746 175.613 174.700 0.279 0.000 1.059 214 T CA -0.084 62.116 62.100 0.166 0.000 1.122 214 T CB 1.051 70.035 68.868 0.194 0.000 0.972 214 T HN 0.624 nan 8.240 nan 0.000 0.545 215 G N -0.573 108.421 108.800 0.323 0.000 2.537 215 G HA2 0.587 4.555 3.960 0.013 0.000 0.297 215 G HA3 0.587 4.555 3.960 0.013 0.000 0.297 215 G C 0.834 175.931 174.900 0.329 0.000 1.310 215 G CA -0.444 44.948 45.100 0.487 0.000 1.027 215 G HN 1.729 nan 8.290 nan 0.000 0.505 216 G N -0.807 108.202 108.800 0.348 0.000 2.561 216 G HA2 -0.205 3.763 3.960 0.013 0.000 0.203 216 G HA3 -0.205 3.763 3.960 0.013 0.000 0.203 216 G C 1.046 176.079 174.900 0.222 0.000 1.101 216 G CA 0.487 45.733 45.100 0.243 0.000 0.711 216 G HN 0.593 nan 8.290 nan 0.000 0.511 217 K N 1.647 122.174 120.400 0.212 0.000 2.437 217 K HA 0.645 4.973 4.320 0.013 0.000 0.205 217 K C 1.021 177.724 176.600 0.172 0.000 1.026 217 K CA 0.580 56.970 56.287 0.172 0.000 1.153 217 K CB 1.067 33.646 32.500 0.132 0.000 0.863 217 K HN 0.717 nan 8.250 nan 0.000 0.502 218 A N 1.192 124.148 122.820 0.226 0.000 2.406 218 A HA 0.297 4.625 4.320 0.013 0.000 0.243 218 A C 0.658 178.340 177.584 0.164 0.000 1.082 218 A CA -0.368 51.747 52.037 0.129 0.000 0.786 218 A CB 0.078 19.131 19.000 0.089 0.000 1.029 218 A HN 0.509 nan 8.150 nan 0.000 0.495 219 c N 0.050 118.656 118.600 0.010 0.000 3.154 219 c HA 0.894 5.472 4.570 0.013 0.000 0.312 219 c C -0.518 173.558 174.090 -0.024 0.000 1.349 219 c CA -1.149 55.230 56.329 0.083 0.000 1.518 219 c CB 1.182 43.766 42.510 0.123 0.000 1.934 219 c HN 1.014 nan 8.230 nan 0.000 0.462 220 K N 1.451 121.952 120.400 0.168 0.000 2.206 220 K HA 0.815 5.142 4.320 0.013 0.000 0.264 220 K C -0.681 176.228 176.600 0.514 0.000 0.967 220 K CA -0.375 56.114 56.287 0.336 0.000 0.844 220 K CB 1.355 34.142 32.500 0.477 0.000 1.099 220 K HN 1.022 nan 8.250 nan 0.000 0.441 221 M N -0.137 119.769 119.600 0.510 0.000 2.683 221 M HA 0.324 4.812 4.480 0.013 0.000 0.274 221 M C -1.439 174.906 176.300 0.074 0.000 1.272 221 M CA -1.113 54.358 55.300 0.285 0.000 0.833 221 M CB 2.106 34.817 32.600 0.184 0.000 1.708 221 M HN 0.470 nan 8.290 nan 0.000 0.463 222 Q N 0.978 120.464 119.800 -0.524 0.000 2.261 222 Q HA 0.437 4.785 4.340 0.013 0.000 0.252 222 Q C -1.948 173.832 176.000 -0.367 0.000 0.915 222 Q CA -0.370 55.090 55.803 -0.571 0.000 0.915 222 Q CB 1.890 30.092 28.738 -0.894 0.000 1.204 222 Q HN 0.660 nan 8.270 nan 0.000 0.421 223 Y N 0.622 120.544 120.300 -0.631 0.000 2.361 223 Y HA 0.188 4.746 4.550 0.013 0.000 0.337 223 Y C -0.359 175.176 175.900 -0.608 0.000 0.965 223 Y CA -0.956 56.589 58.100 -0.925 0.000 1.091 223 Y CB 1.163 38.555 38.460 -1.780 0.000 1.182 223 Y HN 0.885 nan 8.280 nan 0.000 0.450 224 c N 6.702 124.584 118.600 -1.197 0.000 3.899 224 c HA -0.264 4.313 4.570 0.013 0.000 0.297 224 c C 0.988 174.737 174.090 -0.569 0.000 1.371 224 c CA 1.484 57.253 56.329 -0.934 0.000 2.088 224 c CB -2.356 39.471 42.510 -1.137 0.000 1.346 224 c HN 1.086 nan 8.230 nan 0.000 0.658 225 K N -1.798 118.306 120.400 -0.492 0.000 3.349 225 K HA -0.208 4.120 4.320 0.013 0.000 0.310 225 K C -0.007 176.339 176.600 -0.423 0.000 1.267 225 K CA 1.424 57.458 56.287 -0.422 0.000 0.920 225 K CB -0.988 31.275 32.500 -0.395 0.000 1.240 225 K HN 0.812 nan 8.250 nan 0.000 0.453 226 H N -0.877 118.106 119.070 -0.144 0.000 2.505 226 H HA 0.183 4.747 4.556 0.013 0.000 0.338 226 H C -0.315 175.112 175.328 0.164 0.000 1.057 226 H CA -0.616 55.477 56.048 0.075 0.000 1.202 226 H CB 0.578 30.455 29.762 0.190 0.000 1.466 226 H HN 0.067 nan 8.280 nan 0.000 0.499 227 W N 2.382 123.888 121.300 0.345 0.000 2.304 227 W HA 0.404 5.072 4.660 0.012 0.000 0.313 227 W C 0.866 177.474 176.519 0.147 0.000 1.323 227 W CA 0.293 57.855 57.345 0.363 0.000 1.223 227 W CB 0.988 30.709 29.460 0.435 0.000 1.237 227 W HN 0.671 nan 8.180 nan 0.000 0.535 228 G N 0.869 109.890 108.800 0.368 0.000 3.086 228 G HA2 0.641 4.609 3.960 0.013 0.000 0.282 228 G HA3 0.641 4.609 3.960 0.013 0.000 0.282 228 G C -1.746 172.739 174.900 -0.692 0.000 1.343 228 G CA -0.874 43.812 45.100 -0.690 0.000 0.895 228 G HN 0.148 nan 8.290 nan 0.000 0.557 229 V N 0.725 119.785 119.914 -1.425 0.000 2.370 229 V HA 0.527 4.654 4.120 0.013 0.000 0.283 229 V C 0.224 175.615 176.094 -1.172 0.000 1.023 229 V CA -0.683 60.852 62.300 -1.274 0.000 0.857 229 V CB 1.226 32.047 31.823 -1.670 0.000 0.985 229 V HN 0.635 nan 8.190 nan 0.000 0.443 230 R N 3.985 124.173 120.500 -0.520 0.000 2.229 230 R HA 0.502 4.849 4.340 0.013 0.000 0.328 230 R C -1.030 175.100 176.300 -0.283 0.000 1.009 230 R CA -0.756 55.194 56.100 -0.250 0.000 0.864 230 R CB 0.937 31.256 30.300 0.032 0.000 1.085 230 R HN 0.473 nan 8.270 nan 0.000 0.453 231 L N 6.500 127.550 121.223 -0.289 0.000 2.456 231 L HA 0.318 4.666 4.340 0.013 0.000 0.257 231 L C -1.454 175.376 176.870 -0.066 0.000 1.162 231 L CA -2.359 52.374 54.840 -0.177 0.000 0.808 231 L CB 0.845 42.776 42.059 -0.213 0.000 1.136 231 L HN 0.565 nan 8.230 nan 0.000 0.466 232 P HA -0.106 nan 4.420 nan 0.000 0.222 232 P C 1.379 178.689 177.300 0.017 0.000 1.147 232 P CA 1.086 64.201 63.100 0.026 0.000 0.790 232 P CB 0.241 31.977 31.700 0.060 0.000 0.780 233 S N -2.068 113.634 115.700 0.004 0.000 2.447 233 S HA 0.098 4.575 4.470 0.013 0.000 0.233 233 S C 1.801 176.384 174.600 -0.028 0.000 1.006 233 S CA 1.179 59.378 58.200 -0.001 0.000 0.957 233 S CB -1.039 62.163 63.200 0.004 0.000 0.773 233 S HN 0.290 nan 8.310 nan 0.000 0.507 234 G N 0.018 108.789 108.800 -0.048 0.000 2.352 234 G HA2 -0.205 3.763 3.960 0.013 0.000 0.204 234 G HA3 -0.205 3.763 3.960 0.013 0.000 0.204 234 G C 0.052 174.902 174.900 -0.083 0.000 1.004 234 G CA -0.270 44.800 45.100 -0.049 0.000 0.648 234 G HN 0.629 nan 8.290 nan 0.000 0.491 235 V N 1.114 120.934 119.914 -0.158 0.000 2.583 235 V HA 0.312 4.440 4.120 0.013 0.000 0.302 235 V C 0.284 176.259 176.094 -0.199 0.000 1.033 235 V CA 1.163 63.306 62.300 -0.260 0.000 1.194 235 V CB 0.331 31.801 31.823 -0.587 0.000 0.879 235 V HN 0.435 nan 8.190 nan 0.000 0.482 236 W N 8.497 129.602 121.300 -0.324 0.000 2.736 236 W HA 0.729 5.396 4.660 0.012 0.000 0.335 236 W C -0.998 175.373 176.519 -0.246 0.000 1.059 236 W CA -1.148 55.970 57.345 -0.379 0.000 1.226 236 W CB 1.660 30.930 29.460 -0.316 0.000 1.416 236 W HN 0.504 nan 8.180 nan 0.000 0.505 237 F N 2.555 121.911 119.950 -0.991 0.000 2.631 237 F HA 0.493 5.027 4.527 0.013 0.000 0.308 237 F C -0.975 173.931 175.800 -1.491 0.000 1.097 237 F CA -1.551 55.876 58.000 -0.955 0.000 0.952 237 F CB 1.524 40.244 39.000 -0.467 0.000 1.307 237 F HN 0.339 nan 8.300 nan 0.000 0.450 238 E N 3.677 123.350 120.200 -0.877 0.000 2.109 238 E HA 0.355 4.713 4.350 0.013 0.000 0.278 238 E C -0.936 175.488 176.600 -0.294 0.000 0.954 238 E CA -0.682 55.316 56.400 -0.670 0.000 0.779 238 E CB 1.083 30.579 29.700 -0.340 0.000 1.093 238 E HN 0.763 nan 8.360 nan 0.000 0.401 239 M N 3.097 122.505 119.600 -0.321 0.000 2.238 239 M HA 0.113 4.601 4.480 0.013 0.000 0.347 239 M C 1.083 177.327 176.300 -0.093 0.000 1.173 239 M CA 0.006 55.233 55.300 -0.122 0.000 1.147 239 M CB 1.306 33.861 32.600 -0.075 0.000 1.547 239 M HN 0.712 nan 8.290 nan 0.000 0.455 240 A N 1.558 124.355 122.820 -0.038 0.000 1.897 240 A HA -0.087 4.241 4.320 0.013 0.000 0.215 240 A C 0.921 178.514 177.584 0.015 0.000 1.181 240 A CA 1.200 53.226 52.037 -0.017 0.000 0.620 240 A CB -0.179 18.815 19.000 -0.011 0.000 0.821 240 A HN 0.808 nan 8.150 nan 0.000 0.443 241 D N -0.448 119.972 120.400 0.033 0.000 2.453 241 D HA 0.281 4.929 4.640 0.013 0.000 0.223 241 D C 0.749 177.116 176.300 0.112 0.000 1.183 241 D CA -0.094 53.942 54.000 0.060 0.000 0.933 241 D CB 0.776 41.606 40.800 0.051 0.000 1.038 241 D HN -0.038 nan 8.370 nan 0.000 0.513 242 K N 1.597 122.070 120.400 0.122 0.000 2.209 242 K HA -0.084 4.244 4.320 0.013 0.000 0.204 242 K C 1.120 177.834 176.600 0.190 0.000 1.048 242 K CA 0.866 57.273 56.287 0.200 0.000 0.940 242 K CB 0.172 32.771 32.500 0.166 0.000 0.729 242 K HN 0.375 nan 8.250 nan 0.000 0.451 243 D N 0.097 120.565 120.400 0.113 0.000 2.144 243 D HA -0.165 4.483 4.640 0.013 0.000 0.199 243 D C 1.770 178.114 176.300 0.073 0.000 0.984 243 D CA 0.792 54.836 54.000 0.072 0.000 0.834 243 D CB -0.010 40.817 40.800 0.045 0.000 0.955 243 D HN 0.147 nan 8.370 nan 0.000 0.465 244 L N -0.218 121.067 121.223 0.102 0.000 2.109 244 L HA -0.067 4.281 4.340 0.013 0.000 0.207 244 L C 2.284 179.250 176.870 0.159 0.000 1.086 244 L CA 0.566 55.460 54.840 0.090 0.000 0.760 244 L CB -0.233 41.872 42.059 0.077 0.000 0.910 244 L HN -0.015 nan 8.230 nan 0.000 0.437 245 F N 0.576 120.575 119.950 0.082 0.000 2.095 245 F HA -0.320 4.215 4.527 0.012 0.000 0.298 245 F C 2.396 178.267 175.800 0.119 0.000 1.104 245 F CA 1.653 59.758 58.000 0.174 0.000 1.232 245 F CB -0.005 39.084 39.000 0.148 0.000 0.987 245 F HN 0.096 nan 8.300 nan 0.000 0.475 246 A N 0.382 123.139 122.820 -0.105 0.000 1.898 246 A HA -0.057 4.271 4.320 0.013 0.000 0.216 246 A C 2.309 179.776 177.584 -0.195 0.000 1.181 246 A CA 1.425 53.316 52.037 -0.244 0.000 0.620 246 A CB -1.487 17.430 19.000 -0.137 0.000 0.819 246 A HN 0.519 nan 8.150 nan 0.000 0.442 247 A N -0.058 122.693 122.820 -0.114 0.000 1.978 247 A HA 0.122 4.450 4.320 0.013 0.000 0.220 247 A C 2.392 179.865 177.584 -0.186 0.000 1.170 247 A CA 1.982 53.950 52.037 -0.114 0.000 0.636 247 A CB -0.865 18.098 19.000 -0.062 0.000 0.810 247 A HN 1.085 nan 8.150 nan 0.000 0.448 248 A N -0.919 121.739 122.820 -0.270 0.000 2.067 248 A HA 0.012 4.340 4.320 0.013 0.000 0.219 248 A C 1.252 178.477 177.584 -0.598 0.000 1.158 248 A CA 0.851 52.577 52.037 -0.519 0.000 0.661 248 A CB -0.392 18.052 19.000 -0.927 0.000 0.801 248 A HN 0.562 nan 8.150 nan 0.000 0.452 249 R N -1.938 118.299 120.500 -0.438 0.000 3.188 249 R HA -0.179 4.169 4.340 0.013 0.000 0.247 249 R C -1.268 174.872 176.300 -0.268 0.000 0.918 249 R CA 0.464 56.383 56.100 -0.302 0.000 0.629 249 R CB -2.472 27.710 30.300 -0.197 0.000 1.087 249 R HN 0.488 nan 8.270 nan 0.000 0.462 250 F N 2.033 121.903 119.950 -0.133 0.000 2.572 250 F HA 0.108 4.642 4.527 0.013 0.000 0.370 250 F C -0.757 175.018 175.800 -0.041 0.000 1.103 250 F CA -1.433 56.538 58.000 -0.048 0.000 1.286 250 F CB 0.180 39.175 39.000 -0.007 0.000 1.105 250 F HN 0.071 nan 8.300 nan 0.000 0.583 251 P HA 0.060 nan 4.420 nan 0.000 0.275 251 P C -0.774 176.624 177.300 0.164 0.000 1.228 251 P CA -0.412 62.765 63.100 0.129 0.000 0.786 251 P CB 0.595 32.362 31.700 0.113 0.000 0.927 252 E N 0.585 120.871 120.200 0.142 0.000 2.452 252 E HA 0.031 4.389 4.350 0.013 0.000 0.261 252 E C -0.022 176.684 176.600 0.176 0.000 0.987 252 E CA -0.078 56.445 56.400 0.205 0.000 0.926 252 E CB 0.215 30.031 29.700 0.194 0.000 0.934 252 E HN 0.455 nan 8.360 nan 0.000 0.452 253 c N 5.529 124.244 118.600 0.192 0.000 2.641 253 c HA 0.048 4.626 4.570 0.013 0.000 0.412 253 c C -1.656 172.500 174.090 0.109 0.000 1.312 253 c CA -1.298 55.112 56.329 0.136 0.000 1.838 253 c CB -1.070 41.521 42.510 0.135 0.000 2.682 253 c HN 0.592 nan 8.230 nan 0.000 0.627 254 P HA 0.064 nan 4.420 nan 0.000 0.266 254 P C 0.462 177.783 177.300 0.036 0.000 1.195 254 P CA 0.354 63.485 63.100 0.052 0.000 0.768 254 P CB 0.454 32.176 31.700 0.036 0.000 0.838 255 E N 2.377 122.590 120.200 0.021 0.000 2.208 255 E HA -0.202 4.156 4.350 0.013 0.000 0.202 255 E C 2.160 178.725 176.600 -0.057 0.000 1.014 255 E CA 2.241 58.637 56.400 -0.007 0.000 0.819 255 E CB -0.862 28.828 29.700 -0.017 0.000 0.735 255 E HN 0.737 nan 8.360 nan 0.000 0.469 256 G N -0.580 108.183 108.800 -0.061 0.000 2.509 256 G HA2 -0.142 3.826 3.960 0.013 0.000 0.218 256 G HA3 -0.142 3.826 3.960 0.013 0.000 0.218 256 G C 0.500 175.339 174.900 -0.101 0.000 1.124 256 G CA 0.430 45.464 45.100 -0.109 0.000 0.776 256 G HN 0.165 nan 8.290 nan 0.000 0.547 257 S N 0.563 116.241 115.700 -0.036 0.000 2.552 257 S HA 0.357 4.835 4.470 0.013 0.000 0.289 257 S C 0.586 175.198 174.600 0.020 0.000 1.304 257 S CA -0.022 58.184 58.200 0.010 0.000 1.063 257 S CB 1.062 64.295 63.200 0.054 0.000 0.848 257 S HN 0.558 nan 8.310 nan 0.000 0.499 258 S N 2.190 117.926 115.700 0.060 0.000 2.593 258 S HA 0.794 5.272 4.470 0.013 0.000 0.297 258 S C -0.220 174.504 174.600 0.207 0.000 1.112 258 S CA -1.049 57.245 58.200 0.157 0.000 1.043 258 S CB 0.725 63.988 63.200 0.105 0.000 1.054 258 S HN 0.718 nan 8.310 nan 0.000 0.516 259 I N -0.759 119.983 120.570 0.287 0.000 2.910 259 I HA 0.863 5.041 4.170 0.013 0.000 0.310 259 I C -0.275 175.766 176.117 -0.126 0.000 1.043 259 I CA -0.914 60.407 61.300 0.033 0.000 1.053 259 I CB 2.262 40.193 38.000 -0.116 0.000 1.242 259 I HN 0.797 nan 8.210 nan 0.000 0.452 260 S N 2.362 117.933 115.700 -0.215 0.000 2.638 260 S HA 0.951 5.429 4.470 0.013 0.000 0.302 260 S C -0.524 173.852 174.600 -0.373 0.000 1.096 260 S CA -0.553 57.413 58.200 -0.389 0.000 0.953 260 S CB 1.684 64.741 63.200 -0.239 0.000 1.107 260 S HN 1.219 nan 8.310 nan 0.000 0.503 261 A N 1.169 123.711 122.820 -0.462 0.000 2.365 261 A HA 0.850 5.178 4.320 0.013 0.000 0.318 261 A C -3.096 174.411 177.584 -0.129 0.000 1.091 261 A CA -2.297 49.616 52.037 -0.208 0.000 0.763 261 A CB 0.543 19.475 19.000 -0.114 0.000 1.248 261 A HN 0.625 nan 8.150 nan 0.000 0.442 262 P HA 0.103 nan 4.420 nan 0.000 0.262 262 P C 0.052 177.362 177.300 0.017 0.000 1.182 262 P CA 0.470 63.597 63.100 0.046 0.000 0.761 262 P CB 0.657 32.439 31.700 0.136 0.000 0.795 263 S N 1.735 117.444 115.700 0.016 0.000 2.722 263 S HA 0.216 4.693 4.470 0.013 0.000 0.292 263 S C 1.278 175.907 174.600 0.048 0.000 1.135 263 S CA -0.619 57.587 58.200 0.009 0.000 1.003 263 S CB 1.277 64.462 63.200 -0.025 0.000 1.067 263 S HN 0.539 nan 8.310 nan 0.000 0.546 264 Q N 0.386 120.209 119.800 0.039 0.000 2.077 264 Q HA -0.212 4.136 4.340 0.013 0.000 0.206 264 Q C 1.969 177.989 176.000 0.034 0.000 0.989 264 Q CA 2.454 58.284 55.803 0.045 0.000 0.853 264 Q CB -0.822 27.933 28.738 0.030 0.000 0.907 264 Q HN 0.974 nan 8.270 nan 0.000 0.418 265 T N -1.563 113.001 114.554 0.016 0.000 3.055 265 T HA -0.037 4.321 4.350 0.013 0.000 0.265 265 T C 1.888 176.596 174.700 0.013 0.000 1.111 265 T CA 1.251 63.356 62.100 0.007 0.000 1.118 265 T CB -0.244 68.620 68.868 -0.007 0.000 0.909 265 T HN 0.442 nan 8.240 nan 0.000 0.501 266 S N 0.604 116.320 115.700 0.026 0.000 2.406 266 S HA -0.011 4.467 4.470 0.013 0.000 0.228 266 S C 2.000 176.639 174.600 0.065 0.000 1.020 266 S CA 0.899 59.126 58.200 0.044 0.000 0.965 266 S CB -0.825 62.406 63.200 0.052 0.000 0.798 266 S HN 0.349 nan 8.310 nan 0.000 0.488 267 V N 2.599 122.562 119.914 0.081 0.000 2.295 267 V HA -0.169 3.959 4.120 0.013 0.000 0.246 267 V C 2.663 178.761 176.094 0.006 0.000 1.049 267 V CA 2.334 64.668 62.300 0.057 0.000 1.024 267 V CB -1.015 30.864 31.823 0.092 0.000 0.648 267 V HN 0.510 nan 8.190 nan 0.000 0.447 268 D N -0.083 120.323 120.400 0.009 0.000 2.144 268 D HA -0.144 4.504 4.640 0.013 0.000 0.199 268 D C 2.051 178.342 176.300 -0.015 0.000 0.984 268 D CA 1.224 55.219 54.000 -0.008 0.000 0.834 268 D CB -0.127 40.670 40.800 -0.005 0.000 0.955 268 D HN 0.209 nan 8.370 nan 0.000 0.465 269 V N -0.050 119.861 119.914 -0.006 0.000 2.282 269 V HA -0.266 3.862 4.120 0.013 0.000 0.249 269 V C 2.575 178.658 176.094 -0.019 0.000 1.057 269 V CA 1.974 64.269 62.300 -0.008 0.000 1.032 269 V CB -0.673 31.154 31.823 0.007 0.000 0.645 269 V HN 0.201 nan 8.190 nan 0.000 0.447 270 S N -0.429 115.261 115.700 -0.016 0.000 2.399 270 S HA -0.076 4.402 4.470 0.013 0.000 0.231 270 S C 1.825 176.386 174.600 -0.065 0.000 1.022 270 S CA 1.329 59.507 58.200 -0.037 0.000 0.983 270 S CB -0.293 62.887 63.200 -0.034 0.000 0.803 270 S HN 0.473 nan 8.310 nan 0.000 0.480 271 L N 0.896 122.083 121.223 -0.061 0.000 2.027 271 L HA -0.082 4.266 4.340 0.013 0.000 0.206 271 L C 2.219 179.052 176.870 -0.063 0.000 1.074 271 L CA 0.838 55.639 54.840 -0.065 0.000 0.745 271 L CB -0.578 41.447 42.059 -0.055 0.000 0.898 271 L HN 0.289 nan 8.230 nan 0.000 0.433 272 I N 0.051 120.589 120.570 -0.054 0.000 2.163 272 I HA -0.313 3.865 4.170 0.013 0.000 0.243 272 I C 2.634 178.707 176.117 -0.074 0.000 1.085 272 I CA 1.692 62.958 61.300 -0.057 0.000 1.347 272 I CB -1.062 36.909 38.000 -0.049 0.000 1.044 272 I HN 0.450 nan 8.210 nan 0.000 0.408 273 Q N 0.246 119.999 119.800 -0.078 0.000 2.181 273 Q HA -0.229 4.118 4.340 0.013 0.000 0.205 273 Q C 1.777 177.690 176.000 -0.145 0.000 0.980 273 Q CA 1.470 57.211 55.803 -0.103 0.000 0.862 273 Q CB -0.155 28.529 28.738 -0.090 0.000 0.905 273 Q HN 0.521 nan 8.270 nan 0.000 0.429 274 D N -0.002 120.316 120.400 -0.136 0.000 2.117 274 D HA -0.117 4.530 4.640 0.013 0.000 0.197 274 D C 1.965 178.187 176.300 -0.131 0.000 0.987 274 D CA 0.905 54.809 54.000 -0.160 0.000 0.829 274 D CB -0.069 40.660 40.800 -0.118 0.000 0.961 274 D HN 0.053 nan 8.370 nan 0.000 0.460 275 V N 0.851 120.714 119.914 -0.086 0.000 2.379 275 V HA -0.168 3.959 4.120 0.013 0.000 0.245 275 V C 2.449 178.519 176.094 -0.040 0.000 1.044 275 V CA 1.461 63.730 62.300 -0.051 0.000 1.036 275 V CB -0.366 31.435 31.823 -0.037 0.000 0.664 275 V HN 0.195 nan 8.190 nan 0.000 0.453 276 E N 0.927 121.092 120.200 -0.060 0.000 2.097 276 E HA -0.313 4.045 4.350 0.013 0.000 0.196 276 E C 2.369 178.970 176.600 0.002 0.000 1.000 276 E CA 1.983 58.359 56.400 -0.040 0.000 0.804 276 E CB -0.074 29.569 29.700 -0.095 0.000 0.740 276 E HN 0.727 nan 8.360 nan 0.000 0.454 277 R N 0.934 121.378 120.500 -0.093 0.000 2.093 277 R HA -0.062 4.286 4.340 0.013 0.000 0.224 277 R C 2.622 178.944 176.300 0.037 0.000 1.101 277 R CA 1.482 57.502 56.100 -0.134 0.000 0.979 277 R CB -0.953 29.019 30.300 -0.546 0.000 0.877 277 R HN 0.375 nan 8.270 nan 0.000 0.441 278 I N -0.579 120.013 120.570 0.036 0.000 2.353 278 I HA -0.089 4.089 4.170 0.013 0.000 0.248 278 I C 2.194 178.423 176.117 0.187 0.000 1.119 278 I CA 0.822 62.244 61.300 0.203 0.000 1.417 278 I CB -0.391 37.699 38.000 0.150 0.000 1.078 278 I HN 0.128 nan 8.210 nan 0.000 0.421 279 L N 2.273 123.563 121.223 0.111 0.000 1.970 279 L HA -0.221 4.127 4.340 0.013 0.000 0.212 279 L C 2.063 178.988 176.870 0.092 0.000 1.071 279 L CA 2.141 57.034 54.840 0.088 0.000 0.751 279 L CB -1.060 41.054 42.059 0.093 0.000 0.889 279 L HN 0.188 nan 8.230 nan 0.000 0.432 280 D N -1.346 119.163 120.400 0.181 0.000 2.133 280 D HA -0.301 4.347 4.640 0.013 0.000 0.192 280 D C 2.073 178.453 176.300 0.133 0.000 1.001 280 D CA 2.128 56.244 54.000 0.194 0.000 0.844 280 D CB -0.467 40.502 40.800 0.282 0.000 0.944 280 D HN 0.581 nan 8.370 nan 0.000 0.447 281 Y N 1.357 121.734 120.300 0.129 0.000 2.242 281 Y HA -0.238 4.320 4.550 0.013 0.000 0.291 281 Y C 2.522 178.441 175.900 0.031 0.000 1.137 281 Y CA 2.050 60.231 58.100 0.135 0.000 1.181 281 Y CB -0.090 38.545 38.460 0.292 0.000 0.989 281 Y HN 0.019 nan 8.280 nan 0.000 0.527 282 S N 0.044 115.753 115.700 0.015 0.000 2.368 282 S HA -0.206 4.272 4.470 0.013 0.000 0.224 282 S C 1.927 176.381 174.600 -0.243 0.000 1.029 282 S CA 1.495 59.630 58.200 -0.109 0.000 0.988 282 S CB -1.030 62.162 63.200 -0.013 0.000 0.838 282 S HN 0.535 nan 8.310 nan 0.000 0.462 283 L N 0.787 121.814 121.223 -0.327 0.000 2.056 283 L HA -0.077 4.271 4.340 0.013 0.000 0.207 283 L C 3.098 179.727 176.870 -0.402 0.000 1.078 283 L CA 1.237 55.732 54.840 -0.576 0.000 0.749 283 L CB -0.879 40.463 42.059 -1.195 0.000 0.901 283 L HN 0.571 nan 8.230 nan 0.000 0.433 284 c N 0.002 118.423 118.600 -0.298 0.000 2.413 284 c HA -0.175 4.403 4.570 0.013 0.000 0.276 284 c C 2.962 176.912 174.090 -0.233 0.000 1.248 284 c CA 0.888 57.082 56.329 -0.226 0.000 1.742 284 c CB -0.625 41.808 42.510 -0.128 0.000 2.017 284 c HN 0.518 nan 8.230 nan 0.000 0.481 285 Q N 0.387 120.012 119.800 -0.292 0.000 2.224 285 Q HA -0.117 4.230 4.340 0.013 0.000 0.203 285 Q C 1.952 177.868 176.000 -0.140 0.000 0.970 285 Q CA 1.555 57.234 55.803 -0.206 0.000 0.865 285 Q CB -0.543 27.965 28.738 -0.384 0.000 0.922 285 Q HN 0.798 nan 8.270 nan 0.000 0.445 286 E N 0.332 120.427 120.200 -0.175 0.000 2.107 286 E HA -0.091 4.267 4.350 0.013 0.000 0.191 286 E C 1.723 178.246 176.600 -0.128 0.000 0.982 286 E CA 1.541 57.865 56.400 -0.128 0.000 0.809 286 E CB -0.152 29.471 29.700 -0.129 0.000 0.756 286 E HN 0.199 nan 8.360 nan 0.000 0.459 287 T N -0.270 114.167 114.554 -0.194 0.000 2.652 287 T HA -0.181 4.177 4.350 0.013 0.000 0.267 287 T C 1.381 175.889 174.700 -0.320 0.000 1.039 287 T CA 1.807 63.719 62.100 -0.312 0.000 1.153 287 T CB -0.650 67.925 68.868 -0.487 0.000 0.863 287 T HN 0.382 nan 8.240 nan 0.000 0.428 288 W N 1.531 122.737 121.300 -0.157 0.000 2.342 288 W HA -0.150 4.518 4.660 0.012 0.000 0.297 288 W C 3.049 179.476 176.519 -0.153 0.000 1.213 288 W CA 0.852 58.099 57.345 -0.162 0.000 1.251 288 W CB -0.532 28.781 29.460 -0.246 0.000 1.136 288 W HN 0.306 nan 8.180 nan 0.000 0.526 289 S N 0.394 116.115 115.700 0.034 0.000 2.402 289 S HA -0.155 4.323 4.470 0.013 0.000 0.229 289 S C 1.707 176.303 174.600 -0.007 0.000 1.021 289 S CA 1.211 59.408 58.200 -0.005 0.000 0.974 289 S CB -0.286 62.893 63.200 -0.035 0.000 0.800 289 S HN 0.265 nan 8.310 nan 0.000 0.484 290 K N 0.688 121.071 120.400 -0.029 0.000 2.002 290 K HA 0.024 4.352 4.320 0.013 0.000 0.209 290 K C 2.088 178.683 176.600 -0.008 0.000 1.048 290 K CA 1.787 58.055 56.287 -0.032 0.000 0.930 290 K CB -0.489 31.972 32.500 -0.066 0.000 0.714 290 K HN 0.428 nan 8.250 nan 0.000 0.438 291 I N 0.780 121.353 120.570 0.005 0.000 2.151 291 I HA -0.335 3.843 4.170 0.013 0.000 0.243 291 I C 2.691 178.860 176.117 0.086 0.000 1.080 291 I CA 1.277 62.615 61.300 0.063 0.000 1.339 291 I CB -0.240 37.842 38.000 0.137 0.000 1.039 291 I HN 0.187 nan 8.210 nan 0.000 0.409 292 R N 1.098 121.649 120.500 0.085 0.000 2.096 292 R HA -0.156 4.192 4.340 0.013 0.000 0.235 292 R C 2.079 178.399 176.300 0.034 0.000 1.127 292 R CA 1.565 57.700 56.100 0.058 0.000 0.968 292 R CB -0.170 30.142 30.300 0.020 0.000 0.861 292 R HN 0.380 nan 8.270 nan 0.000 0.440 293 A N -0.393 122.440 122.820 0.020 0.000 2.218 293 A HA 0.209 4.536 4.320 0.013 0.000 0.209 293 A C 1.285 178.877 177.584 0.012 0.000 1.168 293 A CA 0.680 52.723 52.037 0.010 0.000 0.804 293 A CB -0.089 18.911 19.000 -0.001 0.000 0.834 293 A HN 0.559 nan 8.150 nan 0.000 0.482 294 G N -0.867 107.945 108.800 0.020 0.000 2.176 294 G HA2 -0.216 3.751 3.960 0.013 0.000 0.252 294 G HA3 -0.216 3.751 3.960 0.013 0.000 0.252 294 G C 0.019 174.924 174.900 0.008 0.000 1.024 294 G CA 0.426 45.536 45.100 0.018 0.000 0.755 294 G HN 0.446 nan 8.290 nan 0.000 0.507 295 L N 0.283 121.507 121.223 0.001 0.000 2.399 295 L HA 0.475 4.822 4.340 0.013 0.000 0.266 295 L C -1.472 175.392 176.870 -0.011 0.000 1.114 295 L CA -2.249 52.587 54.840 -0.008 0.000 0.804 295 L CB 0.721 42.772 42.059 -0.014 0.000 1.146 295 L HN -0.081 nan 8.230 nan 0.000 0.451 296 P HA 0.161 nan 4.420 nan 0.000 0.269 296 P C -0.849 176.439 177.300 -0.021 0.000 1.209 296 P CA -0.073 63.022 63.100 -0.008 0.000 0.776 296 P CB 0.410 32.106 31.700 -0.007 0.000 0.876 297 I N -1.235 119.323 120.570 -0.021 0.000 2.648 297 I HA 0.745 4.923 4.170 0.013 0.000 0.304 297 I C 0.013 176.119 176.117 -0.019 0.000 1.009 297 I CA -0.874 60.389 61.300 -0.061 0.000 1.114 297 I CB 2.275 40.205 38.000 -0.118 0.000 1.293 297 I HN 0.332 nan 8.210 nan 0.000 0.449 298 S N 2.281 117.935 115.700 -0.076 0.000 2.806 298 S HA 0.644 5.122 4.470 0.013 0.000 0.315 298 S C -2.244 172.230 174.600 -0.211 0.000 1.127 298 S CA -1.404 56.764 58.200 -0.054 0.000 0.918 298 S CB 1.514 64.696 63.200 -0.030 0.000 1.240 298 S HN 0.517 nan 8.310 nan 0.000 0.552 299 P HA -0.079 nan 4.420 nan 0.000 0.217 299 P C 1.499 178.631 177.300 -0.279 0.000 1.148 299 P CA 0.893 63.824 63.100 -0.281 0.000 0.828 299 P CB -0.210 31.348 31.700 -0.237 0.000 0.783 300 V N 0.408 120.149 119.914 -0.287 0.000 2.295 300 V HA -0.241 3.887 4.120 0.013 0.000 0.246 300 V C 1.985 177.575 176.094 -0.840 0.000 1.049 300 V CA 2.108 64.135 62.300 -0.454 0.000 1.024 300 V CB -1.232 30.410 31.823 -0.302 0.000 0.648 300 V HN 0.150 nan 8.190 nan 0.000 0.447 301 D N 0.175 120.229 120.400 -0.576 0.000 2.117 301 D HA -0.139 4.509 4.640 0.013 0.000 0.197 301 D C 2.097 178.063 176.300 -0.556 0.000 0.987 301 D CA 1.045 54.706 54.000 -0.566 0.000 0.829 301 D CB -0.148 40.455 40.800 -0.329 0.000 0.961 301 D HN 0.254 nan 8.370 nan 0.000 0.460 302 L N 1.470 122.432 121.223 -0.436 0.000 2.042 302 L HA -0.176 4.172 4.340 0.013 0.000 0.210 302 L C 2.632 179.340 176.870 -0.270 0.000 1.076 302 L CA 1.451 56.088 54.840 -0.339 0.000 0.749 302 L CB -1.229 40.692 42.059 -0.231 0.000 0.893 302 L HN 0.056 nan 8.230 nan 0.000 0.432 303 S N -2.029 113.483 115.700 -0.315 0.000 2.447 303 S HA -0.191 4.287 4.470 0.013 0.000 0.233 303 S C 2.006 176.574 174.600 -0.053 0.000 1.006 303 S CA 0.767 58.880 58.200 -0.145 0.000 0.957 303 S CB -0.838 62.307 63.200 -0.091 0.000 0.773 303 S HN 0.567 nan 8.310 nan 0.000 0.507 304 Y N 1.000 121.177 120.300 -0.204 0.000 2.457 304 Y HA 0.257 4.815 4.550 0.013 0.000 0.292 304 Y C 2.150 177.928 175.900 -0.203 0.000 1.125 304 Y CA 0.054 57.991 58.100 -0.270 0.000 1.254 304 Y CB -0.156 38.068 38.460 -0.395 0.000 1.012 304 Y HN 0.242 nan 8.280 nan 0.000 0.555 305 L N -0.321 120.827 121.223 -0.125 0.000 2.270 305 L HA 0.107 4.455 4.340 0.013 0.000 0.210 305 L C 1.315 178.314 176.870 0.215 0.000 1.104 305 L CA -0.284 54.466 54.840 -0.149 0.000 0.804 305 L CB -0.342 41.268 42.059 -0.749 0.000 0.937 305 L HN 0.045 nan 8.230 nan 0.000 0.450 306 A N 0.695 123.629 122.820 0.190 0.000 2.440 306 A HA 0.363 4.691 4.320 0.013 0.000 0.251 306 A C -2.204 175.441 177.584 0.102 0.000 1.089 306 A CA -1.189 50.985 52.037 0.228 0.000 0.779 306 A CB -0.340 18.760 19.000 0.166 0.000 1.022 306 A HN -0.061 nan 8.150 nan 0.000 0.492 307 P HA -0.007 nan 4.420 nan 0.000 0.266 307 P C 0.197 177.355 177.300 -0.237 0.000 1.186 307 P CA 0.322 63.281 63.100 -0.235 0.000 0.767 307 P CB 0.415 31.625 31.700 -0.817 0.000 0.820 308 K N 0.914 121.246 120.400 -0.114 0.000 2.374 308 K HA 0.249 4.576 4.320 0.013 0.000 0.202 308 K C 0.002 176.612 176.600 0.017 0.000 1.040 308 K CA 0.412 56.660 56.287 -0.064 0.000 1.085 308 K CB 0.198 32.603 32.500 -0.157 0.000 0.873 308 K HN 0.422 nan 8.250 nan 0.000 0.539 309 N N 1.188 119.884 118.700 -0.005 0.000 2.312 309 N HA 0.360 5.108 4.740 0.013 0.000 0.296 309 N C -2.739 172.804 175.510 0.055 0.000 1.193 309 N CA -1.508 51.568 53.050 0.044 0.000 0.773 309 N CB 2.124 40.646 38.487 0.057 0.000 1.435 309 N HN -0.137 nan 8.380 nan 0.000 0.484 310 P HA 0.333 nan 4.420 nan 0.000 0.272 310 P C 0.253 177.629 177.300 0.126 0.000 1.230 310 P CA 0.315 63.500 63.100 0.142 0.000 0.788 310 P CB 0.567 32.334 31.700 0.113 0.000 0.949 311 G N -0.191 108.704 108.800 0.159 0.000 2.371 311 G HA2 -0.025 3.943 3.960 0.013 0.000 0.663 311 G HA3 -0.025 3.943 3.960 0.013 0.000 0.663 311 G C -0.701 174.305 174.900 0.177 0.000 1.311 311 G CA -0.768 44.409 45.100 0.127 0.000 0.985 311 G HN 0.593 nan 8.290 nan 0.000 0.566 312 T N 0.253 114.880 114.554 0.122 0.000 2.903 312 T HA 0.585 4.943 4.350 0.013 0.000 0.314 312 T C 0.885 175.665 174.700 0.134 0.000 1.078 312 T CA 1.670 63.839 62.100 0.114 0.000 1.114 312 T CB 0.902 69.810 68.868 0.067 0.000 0.987 312 T HN 2.274 nan 8.240 nan 0.000 0.548 313 G N 2.269 111.127 108.800 0.096 0.000 2.347 313 G HA2 0.401 4.369 3.960 0.013 0.000 0.303 313 G HA3 0.401 4.369 3.960 0.013 0.000 0.303 313 G C -3.495 171.365 174.900 -0.066 0.000 1.481 313 G CA -1.085 44.002 45.100 -0.023 0.000 0.914 313 G HN 0.517 nan 8.290 nan 0.000 0.638 314 P HA 0.562 nan 4.420 nan 0.000 0.281 314 P C -0.286 176.744 177.300 -0.450 0.000 1.249 314 P CA -0.103 62.742 63.100 -0.425 0.000 0.810 314 P CB 1.871 33.246 31.700 -0.542 0.000 1.008 315 A N 2.618 125.025 122.820 -0.688 0.000 2.325 315 A HA 0.765 5.093 4.320 0.013 0.000 0.333 315 A C -1.017 176.349 177.584 -0.364 0.000 1.155 315 A CA -0.533 51.219 52.037 -0.475 0.000 0.814 315 A CB 0.394 18.980 19.000 -0.690 0.000 1.206 315 A HN 0.414 nan 8.150 nan 0.000 0.482 316 F N -0.015 120.063 119.950 0.212 0.000 2.546 316 F HA 0.757 5.292 4.527 0.013 0.000 0.320 316 F C 0.718 176.488 175.800 -0.050 0.000 1.076 316 F CA -0.187 57.934 58.000 0.202 0.000 0.928 316 F CB 2.838 41.869 39.000 0.051 0.000 1.189 316 F HN 0.628 nan 8.300 nan 0.000 0.465 317 T N 1.827 116.310 114.554 -0.120 0.000 2.754 317 T HA 0.701 5.059 4.350 0.013 0.000 0.296 317 T C -1.571 172.958 174.700 -0.286 0.000 1.205 317 T CA -0.530 61.315 62.100 -0.425 0.000 1.009 317 T CB 1.202 69.461 68.868 -1.015 0.000 1.368 317 T HN 0.397 nan 8.240 nan 0.000 0.509 318 I N 2.314 122.719 120.570 -0.275 0.000 2.389 318 I HA 0.529 4.707 4.170 0.013 0.000 0.288 318 I C -0.738 175.316 176.117 -0.105 0.000 0.999 318 I CA -0.548 60.672 61.300 -0.133 0.000 1.129 318 I CB 1.526 39.498 38.000 -0.047 0.000 1.288 318 I HN 0.436 nan 8.210 nan 0.000 0.444 319 I N 6.210 126.732 120.570 -0.080 0.000 2.436 319 I HA 0.327 4.504 4.170 0.013 0.000 0.289 319 I C -0.048 176.079 176.117 0.016 0.000 1.010 319 I CA -0.633 60.642 61.300 -0.040 0.000 1.098 319 I CB 1.422 39.371 38.000 -0.086 0.000 1.266 319 I HN 0.572 nan 8.210 nan 0.000 0.434 320 N N 5.069 123.789 118.700 0.033 0.000 2.714 320 N HA -0.205 4.543 4.740 0.013 0.000 0.252 320 N C 0.964 176.492 175.510 0.030 0.000 1.014 320 N CA 1.316 54.383 53.050 0.028 0.000 0.735 320 N CB -0.715 37.787 38.487 0.025 0.000 0.924 320 N HN 1.174 nan 8.380 nan 0.000 0.540 321 G N -1.924 106.902 108.800 0.044 0.000 2.220 321 G HA2 -0.354 3.614 3.960 0.013 0.000 0.269 321 G HA3 -0.354 3.614 3.960 0.013 0.000 0.269 321 G C 0.236 175.162 174.900 0.044 0.000 0.977 321 G CA 1.512 46.637 45.100 0.043 0.000 0.634 321 G HN 1.254 nan 8.290 nan 0.000 0.539 322 T N -1.306 113.274 114.554 0.043 0.000 2.855 322 T HA 0.673 5.031 4.350 0.013 0.000 0.281 322 T C 0.338 175.069 174.700 0.052 0.000 1.007 322 T CA -0.804 61.328 62.100 0.054 0.000 1.009 322 T CB 2.103 71.013 68.868 0.069 0.000 0.983 322 T HN 0.654 nan 8.240 nan 0.000 0.455 323 L N 3.351 124.619 121.223 0.076 0.000 2.455 323 L HA 0.356 4.703 4.340 0.013 0.000 0.272 323 L C -0.027 176.970 176.870 0.212 0.000 1.174 323 L CA 0.120 55.026 54.840 0.112 0.000 0.869 323 L CB 0.305 42.438 42.059 0.123 0.000 1.130 323 L HN 0.759 nan 8.230 nan 0.000 0.474 324 K N 4.925 125.462 120.400 0.230 0.000 2.400 324 K HA 0.533 4.861 4.320 0.013 0.000 0.246 324 K C -1.262 175.713 176.600 0.625 0.000 0.995 324 K CA -0.559 55.950 56.287 0.371 0.000 0.840 324 K CB 2.623 35.243 32.500 0.200 0.000 1.293 324 K HN 0.529 nan 8.250 nan 0.000 0.445 325 Y N -0.939 119.686 120.300 0.541 0.000 2.638 325 Y HA 0.739 5.297 4.550 0.013 0.000 0.335 325 Y C -1.555 174.553 175.900 0.348 0.000 1.155 325 Y CA -1.800 56.507 58.100 0.345 0.000 1.046 325 Y CB 1.104 39.509 38.460 -0.093 0.000 1.303 325 Y HN 0.577 nan 8.280 nan 0.000 0.460 326 F N -0.332 119.329 119.950 -0.482 0.000 2.686 326 F HA 0.757 5.291 4.527 0.012 0.000 0.311 326 F C -1.443 174.139 175.800 -0.364 0.000 1.128 326 F CA -1.270 56.304 58.000 -0.710 0.000 0.946 326 F CB 1.790 40.368 39.000 -0.703 0.000 1.336 326 F HN 0.552 nan 8.300 nan 0.000 0.457 327 E N 1.481 121.503 120.200 -0.298 0.000 2.200 327 E HA 0.531 4.888 4.350 0.013 0.000 0.283 327 E C -0.667 175.789 176.600 -0.240 0.000 1.015 327 E CA 0.025 56.290 56.400 -0.226 0.000 0.819 327 E CB 1.410 31.082 29.700 -0.048 0.000 1.081 327 E HN 0.885 nan 8.360 nan 0.000 0.397 328 T N 2.864 117.227 114.554 -0.319 0.000 2.645 328 T HA 0.562 4.920 4.350 0.013 0.000 0.273 328 T C -1.264 173.408 174.700 -0.047 0.000 0.960 328 T CA -0.820 61.164 62.100 -0.193 0.000 1.051 328 T CB 0.795 69.397 68.868 -0.443 0.000 1.366 328 T HN 0.430 nan 8.240 nan 0.000 0.536 329 R N 0.830 121.358 120.500 0.046 0.000 2.480 329 R HA 0.524 4.872 4.340 0.013 0.000 0.306 329 R C -1.646 174.660 176.300 0.009 0.000 0.958 329 R CA -0.541 55.589 56.100 0.050 0.000 0.861 329 R CB 0.678 30.919 30.300 -0.098 0.000 1.171 329 R HN 0.601 nan 8.270 nan 0.000 0.445 330 Y N 4.761 125.085 120.300 0.040 0.000 2.299 330 Y HA 0.353 4.910 4.550 0.012 0.000 0.326 330 Y C 0.508 176.458 175.900 0.084 0.000 1.164 330 Y CA -0.362 57.777 58.100 0.066 0.000 1.234 330 Y CB 1.115 39.604 38.460 0.049 0.000 1.219 330 Y HN 0.448 nan 8.280 nan 0.000 0.497 331 I N -0.123 120.598 120.570 0.251 0.000 2.689 331 I HA 0.636 4.814 4.170 0.013 0.000 0.299 331 I C -0.603 175.650 176.117 0.226 0.000 1.059 331 I CA -1.418 60.002 61.300 0.200 0.000 1.055 331 I CB 2.015 40.119 38.000 0.175 0.000 1.243 331 I HN 0.358 nan 8.210 nan 0.000 0.425 332 R N 3.094 123.691 120.500 0.162 0.000 2.347 332 R HA 0.588 4.936 4.340 0.013 0.000 0.304 332 R C -0.780 175.596 176.300 0.128 0.000 1.072 332 R CA -0.311 55.874 56.100 0.141 0.000 0.980 332 R CB 1.263 31.616 30.300 0.088 0.000 0.986 332 R HN 0.684 nan 8.270 nan 0.000 0.448 333 V N -0.224 119.768 119.914 0.130 0.000 2.925 333 V HA 0.464 4.591 4.120 0.013 0.000 0.311 333 V C -1.056 175.067 176.094 0.048 0.000 1.104 333 V CA -1.217 61.136 62.300 0.087 0.000 0.954 333 V CB 2.546 34.423 31.823 0.091 0.000 1.022 333 V HN 0.541 nan 8.190 nan 0.000 0.427 334 D N 4.291 124.704 120.400 0.022 0.000 2.233 334 D HA 0.615 5.263 4.640 0.013 0.000 0.240 334 D C 0.056 176.341 176.300 -0.024 0.000 1.074 334 D CA 0.100 54.104 54.000 0.007 0.000 0.838 334 D CB 2.126 42.928 40.800 0.004 0.000 1.124 334 D HN 0.898 nan 8.370 nan 0.000 0.475 335 I N -2.127 118.417 120.570 -0.043 0.000 2.822 335 I HA 0.662 4.840 4.170 0.013 0.000 0.312 335 I C 0.883 177.017 176.117 0.028 0.000 1.011 335 I CA -1.043 60.204 61.300 -0.088 0.000 1.105 335 I CB 1.995 39.788 38.000 -0.345 0.000 1.291 335 I HN 0.233 nan 8.210 nan 0.000 0.474 336 A N 3.201 126.039 122.820 0.029 0.000 2.067 336 A HA 0.655 4.983 4.320 0.013 0.000 0.217 336 A C 1.039 178.744 177.584 0.202 0.000 1.156 336 A CA 1.048 53.135 52.037 0.083 0.000 0.683 336 A CB -0.382 18.649 19.000 0.052 0.000 0.808 336 A HN 1.240 nan 8.150 nan 0.000 0.455 337 A N -2.353 120.577 122.820 0.183 0.000 2.567 337 A HA 0.575 4.903 4.320 0.013 0.000 0.291 337 A C -2.687 174.825 177.584 -0.120 0.000 1.048 337 A CA -0.586 51.539 52.037 0.147 0.000 0.661 337 A CB -0.246 18.825 19.000 0.119 0.000 1.288 337 A HN -0.104 nan 8.150 nan 0.000 0.424 338 P HA 0.110 nan 4.420 nan 0.000 0.226 338 P C -0.153 177.196 177.300 0.081 0.000 1.153 338 P CA 1.094 64.073 63.100 -0.203 0.000 0.777 338 P CB 0.028 31.584 31.700 -0.241 0.000 0.794 339 I N -0.391 120.230 120.570 0.085 0.000 2.447 339 I HA 0.258 4.436 4.170 0.013 0.000 0.287 339 I C -0.422 175.795 176.117 0.166 0.000 1.023 339 I CA -0.784 60.612 61.300 0.160 0.000 1.083 339 I CB 1.972 40.025 38.000 0.088 0.000 1.245 339 I HN -0.291 nan 8.210 nan 0.000 0.434 340 L N 4.463 125.844 121.223 0.263 0.000 2.342 340 L HA 0.447 4.795 4.340 0.013 0.000 0.271 340 L C 1.195 178.234 176.870 0.281 0.000 1.008 340 L CA -0.474 54.510 54.840 0.240 0.000 0.818 340 L CB 2.149 44.362 42.059 0.257 0.000 1.296 340 L HN 0.673 nan 8.230 nan 0.000 0.427 341 S N 0.738 116.557 115.700 0.199 0.000 2.414 341 S HA 0.089 4.567 4.470 0.013 0.000 0.227 341 S C 0.765 175.542 174.600 0.294 0.000 1.022 341 S CA 0.238 58.557 58.200 0.199 0.000 0.958 341 S CB -0.001 63.266 63.200 0.112 0.000 0.797 341 S HN 0.618 nan 8.310 nan 0.000 0.493 342 R N 0.007 120.625 120.500 0.198 0.000 2.686 342 R HA 0.470 4.818 4.340 0.013 0.000 0.286 342 R C -1.058 175.164 176.300 -0.131 0.000 0.969 342 R CA -0.762 55.381 56.100 0.071 0.000 0.898 342 R CB 1.131 31.461 30.300 0.050 0.000 1.183 342 R HN 0.115 nan 8.270 nan 0.000 0.456 343 M N 3.624 122.931 119.600 -0.490 0.000 3.596 343 M HA 0.156 4.644 4.480 0.013 0.000 0.212 343 M C -1.360 174.874 176.300 -0.110 0.000 1.519 343 M CA 0.006 55.040 55.300 -0.444 0.000 1.670 343 M CB -0.306 31.944 32.600 -0.584 0.000 1.113 343 M HN 0.337 nan 8.290 nan 0.000 0.565 344 V N 1.760 121.649 119.914 -0.042 0.000 2.962 344 V HA 1.021 5.148 4.120 0.013 0.000 0.313 344 V C -0.140 175.944 176.094 -0.017 0.000 1.099 344 V CA -0.131 62.160 62.300 -0.015 0.000 0.971 344 V CB 2.242 34.063 31.823 -0.002 0.000 1.028 344 V HN 0.666 nan 8.190 nan 0.000 0.430 345 G N 4.494 113.285 108.800 -0.014 0.000 2.692 345 G HA2 0.581 4.549 3.960 0.013 0.000 0.291 345 G HA3 0.581 4.549 3.960 0.013 0.000 0.291 345 G C -1.524 173.379 174.900 0.005 0.000 1.423 345 G CA -0.903 44.184 45.100 -0.022 0.000 0.843 345 G HN 0.625 nan 8.290 nan 0.000 0.486 346 M N 1.598 121.202 119.600 0.008 0.000 2.268 346 M HA 0.334 4.822 4.480 0.013 0.000 0.344 346 M C 0.116 176.436 176.300 0.033 0.000 1.106 346 M CA -0.759 54.553 55.300 0.020 0.000 1.010 346 M CB 1.905 34.514 32.600 0.014 0.000 1.649 346 M HN 0.627 nan 8.290 nan 0.000 0.443 347 I N 1.166 121.762 120.570 0.044 0.000 2.668 347 I HA 0.117 4.294 4.170 0.013 0.000 0.285 347 I C 0.223 176.366 176.117 0.044 0.000 1.168 347 I CA 0.538 61.871 61.300 0.056 0.000 1.424 347 I CB 0.509 38.546 38.000 0.063 0.000 1.377 347 I HN 0.558 nan 8.210 nan 0.000 0.560 348 S N 5.411 121.139 115.700 0.047 0.000 2.552 348 S HA 0.385 4.863 4.470 0.013 0.000 0.289 348 S C 1.262 175.879 174.600 0.028 0.000 1.304 348 S CA 0.587 58.808 58.200 0.035 0.000 1.063 348 S CB 0.283 63.504 63.200 0.035 0.000 0.848 348 S HN 1.491 nan 8.310 nan 0.000 0.499 349 G N 2.251 111.065 108.800 0.023 0.000 2.195 349 G HA2 -0.240 3.728 3.960 0.013 0.000 0.246 349 G HA3 -0.240 3.728 3.960 0.013 0.000 0.246 349 G C 0.162 175.074 174.900 0.019 0.000 0.984 349 G CA 0.228 45.341 45.100 0.022 0.000 0.633 349 G HN 1.180 nan 8.290 nan 0.000 0.525 350 T N -2.666 111.900 114.554 0.020 0.000 2.900 350 T HA 0.611 4.969 4.350 0.013 0.000 0.295 350 T C 1.025 175.735 174.700 0.016 0.000 1.044 350 T CA 0.692 62.803 62.100 0.018 0.000 0.995 350 T CB 1.629 70.510 68.868 0.022 0.000 1.072 350 T HN 0.889 nan 8.240 nan 0.000 0.473 351 T N -1.573 112.989 114.554 0.013 0.000 3.160 351 T HA 0.089 4.447 4.350 0.013 0.000 0.257 351 T C 0.833 175.542 174.700 0.014 0.000 1.147 351 T CA 0.083 62.190 62.100 0.012 0.000 1.064 351 T CB -0.618 68.255 68.868 0.009 0.000 0.949 351 T HN 0.641 nan 8.240 nan 0.000 0.526 352 T N 3.889 118.454 114.554 0.017 0.000 2.775 352 T HA 0.161 4.518 4.350 0.013 0.000 0.281 352 T C 0.363 175.077 174.700 0.023 0.000 0.908 352 T CA -0.329 61.783 62.100 0.020 0.000 1.123 352 T CB -0.019 68.863 68.868 0.022 0.000 0.879 352 T HN 0.683 nan 8.240 nan 0.000 0.547 353 E N 4.271 124.483 120.200 0.020 0.000 2.254 353 E HA 0.688 5.046 4.350 0.013 0.000 0.261 353 E C -0.024 176.590 176.600 0.024 0.000 1.051 353 E CA -1.239 55.173 56.400 0.021 0.000 0.902 353 E CB 1.474 31.183 29.700 0.016 0.000 1.168 353 E HN 0.607 nan 8.360 nan 0.000 0.423 354 R N 0.220 120.735 120.500 0.026 0.000 2.692 354 R HA 0.277 4.625 4.340 0.013 0.000 0.269 354 R C -1.212 175.105 176.300 0.028 0.000 1.030 354 R CA -0.839 55.279 56.100 0.030 0.000 0.882 354 R CB 1.390 31.717 30.300 0.045 0.000 1.250 354 R HN 0.660 nan 8.270 nan 0.000 0.465 355 E N 1.964 122.181 120.200 0.027 0.000 2.316 355 E HA 0.095 4.452 4.350 0.013 0.000 0.275 355 E C 0.314 176.951 176.600 0.062 0.000 1.029 355 E CA -0.153 56.266 56.400 0.030 0.000 0.871 355 E CB 0.934 30.648 29.700 0.023 0.000 1.022 355 E HN 0.567 nan 8.360 nan 0.000 0.418 356 L N 4.310 125.581 121.223 0.080 0.000 2.221 356 L HA 0.228 4.576 4.340 0.013 0.000 0.202 356 L C 0.847 177.966 176.870 0.415 0.000 1.074 356 L CA 0.115 55.051 54.840 0.161 0.000 0.795 356 L CB 0.187 42.159 42.059 -0.146 0.000 0.960 356 L HN 0.517 nan 8.230 nan 0.000 0.458 357 W N -0.136 121.207 121.300 0.070 0.000 3.256 357 W HA 0.188 4.854 4.660 0.010 0.000 0.324 357 W C -0.927 175.584 176.519 -0.013 0.000 1.196 357 W CA -0.371 56.983 57.345 0.015 0.000 1.206 357 W CB 2.271 31.706 29.460 -0.042 0.000 1.385 357 W HN -0.151 nan 8.180 nan 0.000 0.522 358 D N 1.628 121.598 120.400 -0.717 0.000 2.514 358 D HA 0.034 4.682 4.640 0.013 0.000 0.225 358 D C -0.695 175.348 176.300 -0.429 0.000 1.159 358 D CA 0.423 54.227 54.000 -0.327 0.000 0.823 358 D CB 0.447 41.097 40.800 -0.250 0.000 1.097 358 D HN 0.299 nan 8.370 nan 0.000 0.519 359 D N 0.360 120.148 120.400 -1.020 0.000 2.477 359 D HA 0.214 4.862 4.640 0.013 0.000 0.239 359 D C -1.110 175.130 176.300 -0.100 0.000 1.102 359 D CA -0.430 53.291 54.000 -0.466 0.000 0.901 359 D CB 0.097 40.580 40.800 -0.529 0.000 1.026 359 D HN -0.058 nan 8.370 nan 0.000 0.515 360 W N 2.929 124.416 121.300 0.311 0.000 2.570 360 W HA 0.741 5.408 4.660 0.012 0.000 0.337 360 W C -0.054 176.580 176.519 0.191 0.000 1.067 360 W CA -1.141 56.388 57.345 0.306 0.000 1.229 360 W CB 1.709 31.316 29.460 0.245 0.000 1.355 360 W HN 0.350 nan 8.180 nan 0.000 0.555 361 A N 3.039 126.090 122.820 0.384 0.000 2.355 361 A HA 0.770 5.098 4.320 0.013 0.000 0.317 361 A C -2.712 174.996 177.584 0.206 0.000 1.094 361 A CA -2.015 50.152 52.037 0.217 0.000 0.764 361 A CB 0.893 19.948 19.000 0.093 0.000 1.230 361 A HN 0.368 nan 8.150 nan 0.000 0.448 362 P HA 0.172 nan 4.420 nan 0.000 0.264 362 P C -1.326 176.073 177.300 0.165 0.000 1.193 362 P CA 0.794 63.971 63.100 0.128 0.000 0.763 362 P CB -0.027 31.718 31.700 0.075 0.000 0.810 363 Y N 3.025 123.333 120.300 0.013 0.000 2.322 363 Y HA 0.242 4.800 4.550 0.014 0.000 0.324 363 Y C 0.824 176.714 175.900 -0.017 0.000 1.027 363 Y CA -0.440 57.656 58.100 -0.007 0.000 1.179 363 Y CB 0.767 39.222 38.460 -0.009 0.000 1.136 363 Y HN 0.584 nan 8.280 nan 0.000 0.449 364 E N 1.304 121.259 120.200 -0.409 0.000 3.289 364 E HA -0.352 4.006 4.350 0.013 0.000 0.386 364 E C 0.028 176.552 176.600 -0.126 0.000 1.526 364 E CA 2.195 58.413 56.400 -0.304 0.000 1.519 364 E CB -0.594 28.864 29.700 -0.402 0.000 1.657 364 E HN 0.872 nan 8.360 nan 0.000 0.479 365 D N 1.118 121.463 120.400 -0.091 0.000 2.336 365 D HA 0.224 4.872 4.640 0.013 0.000 0.228 365 D C 0.244 176.526 176.300 -0.030 0.000 1.120 365 D CA 0.178 54.147 54.000 -0.052 0.000 0.839 365 D CB 0.365 41.135 40.800 -0.050 0.000 0.932 365 D HN 0.084 nan 8.370 nan 0.000 0.509 366 V N -0.765 119.148 119.914 -0.001 0.000 3.069 366 V HA 0.430 4.558 4.120 0.013 0.000 0.312 366 V C -0.920 175.208 176.094 0.056 0.000 1.369 366 V CA -0.991 61.315 62.300 0.010 0.000 1.047 366 V CB 2.422 34.262 31.823 0.028 0.000 1.098 366 V HN -0.079 nan 8.190 nan 0.000 0.473 367 E N 0.415 120.637 120.200 0.037 0.000 2.256 367 E HA 0.614 4.972 4.350 0.013 0.000 0.267 367 E C -1.331 175.388 176.600 0.199 0.000 0.892 367 E CA -0.479 55.997 56.400 0.127 0.000 0.775 367 E CB 2.988 32.730 29.700 0.071 0.000 1.207 367 E HN 0.488 nan 8.360 nan 0.000 0.420 368 I N 1.143 121.881 120.570 0.280 0.000 2.603 368 I HA 0.636 4.814 4.170 0.013 0.000 0.300 368 I C -0.055 176.250 176.117 0.315 0.000 1.017 368 I CA -0.274 61.136 61.300 0.184 0.000 1.098 368 I CB 1.480 39.394 38.000 -0.143 0.000 1.279 368 I HN 0.659 nan 8.210 nan 0.000 0.437 369 G N 5.214 114.110 108.800 0.159 0.000 3.262 369 G HA2 0.606 4.574 3.960 0.013 0.000 0.229 369 G HA3 0.606 4.574 3.960 0.013 0.000 0.229 369 G C -3.008 171.661 174.900 -0.384 0.000 1.280 369 G CA -1.105 43.833 45.100 -0.270 0.000 0.951 369 G HN 0.329 nan 8.290 nan 0.000 0.589 370 P HA 0.208 nan 4.420 nan 0.000 0.275 370 P C -0.455 176.707 177.300 -0.229 0.000 1.227 370 P CA -0.132 62.714 63.100 -0.423 0.000 0.781 370 P CB 0.529 31.725 31.700 -0.840 0.000 0.906 371 N N 1.992 120.644 118.700 -0.080 0.000 2.708 371 N HA -0.207 4.541 4.740 0.013 0.000 0.251 371 N C 0.932 176.407 175.510 -0.058 0.000 1.123 371 N CA 1.836 54.885 53.050 -0.003 0.000 0.739 371 N CB -1.881 36.642 38.487 0.059 0.000 1.113 371 N HN 0.883 nan 8.380 nan 0.000 0.561 372 G N -2.640 106.082 108.800 -0.130 0.000 2.175 372 G HA2 -0.300 3.667 3.960 0.013 0.000 0.244 372 G HA3 -0.300 3.667 3.960 0.013 0.000 0.244 372 G C 0.060 174.882 174.900 -0.130 0.000 0.982 372 G CA 0.104 45.101 45.100 -0.172 0.000 0.641 372 G HN 0.510 nan 8.290 nan 0.000 0.527 373 V N 1.407 121.261 119.914 -0.100 0.000 2.763 373 V HA 0.411 4.539 4.120 0.013 0.000 0.306 373 V C 1.044 177.157 176.094 0.032 0.000 1.059 373 V CA 0.371 62.595 62.300 -0.127 0.000 1.138 373 V CB 1.305 32.990 31.823 -0.230 0.000 0.940 373 V HN 0.348 nan 8.190 nan 0.000 0.489 374 L N 5.077 126.289 121.223 -0.017 0.000 2.329 374 L HA 0.599 4.947 4.340 0.013 0.000 0.279 374 L C 0.224 176.981 176.870 -0.189 0.000 1.014 374 L CA -0.552 54.271 54.840 -0.029 0.000 0.814 374 L CB 1.649 43.669 42.059 -0.064 0.000 1.257 374 L HN 0.604 nan 8.230 nan 0.000 0.424 375 R N 2.049 122.303 120.500 -0.410 0.000 2.198 375 R HA 0.480 4.828 4.340 0.013 0.000 0.339 375 R C -0.582 175.395 176.300 -0.539 0.000 1.020 375 R CA -0.173 55.409 56.100 -0.863 0.000 0.864 375 R CB 1.026 30.507 30.300 -1.365 0.000 1.105 375 R HN 0.802 nan 8.270 nan 0.000 0.463 376 T N -0.248 113.996 114.554 -0.515 0.000 2.888 376 T HA 0.191 4.549 4.350 0.013 0.000 0.288 376 T C 1.046 175.564 174.700 -0.304 0.000 1.063 376 T CA -0.363 61.554 62.100 -0.304 0.000 1.010 376 T CB 1.583 70.342 68.868 -0.182 0.000 1.214 376 T HN 0.477 nan 8.240 nan 0.000 0.533 377 S N 0.054 115.640 115.700 -0.189 0.000 2.547 377 S HA 0.004 4.482 4.470 0.013 0.000 0.235 377 S C 1.484 176.011 174.600 -0.121 0.000 0.980 377 S CA 0.555 58.667 58.200 -0.147 0.000 0.941 377 S CB -0.624 62.518 63.200 -0.096 0.000 0.763 377 S HN 0.621 nan 8.310 nan 0.000 0.532 378 S N 0.586 116.211 115.700 -0.125 0.000 2.524 378 S HA 0.607 5.085 4.470 0.013 0.000 0.215 378 S C 0.900 175.452 174.600 -0.079 0.000 0.986 378 S CA 0.063 58.215 58.200 -0.080 0.000 0.911 378 S CB 0.542 63.708 63.200 -0.056 0.000 0.805 378 S HN 1.014 nan 8.310 nan 0.000 0.501 379 G N 0.641 109.343 108.800 -0.164 0.000 2.334 379 G HA2 0.076 4.044 3.960 0.013 0.000 0.315 379 G HA3 0.076 4.044 3.960 0.013 0.000 0.315 379 G C -1.886 172.829 174.900 -0.308 0.000 1.284 379 G CA -1.158 43.853 45.100 -0.149 0.000 0.985 379 G HN 0.129 nan 8.290 nan 0.000 0.504 380 Y N 1.634 121.926 120.300 -0.013 0.000 2.404 380 Y HA 0.532 5.092 4.550 0.016 0.000 0.344 380 Y C 0.974 176.899 175.900 0.042 0.000 0.970 380 Y CA -0.320 57.754 58.100 -0.045 0.000 1.180 380 Y CB 1.363 39.827 38.460 0.006 0.000 1.138 380 Y HN 0.255 nan 8.280 nan 0.000 0.510 381 K N 4.384 124.815 120.400 0.052 0.000 2.234 381 K HA 0.366 4.694 4.320 0.013 0.000 0.277 381 K C -1.282 175.340 176.600 0.037 0.000 1.038 381 K CA -0.520 55.822 56.287 0.092 0.000 0.888 381 K CB 0.848 33.361 32.500 0.022 0.000 1.091 381 K HN 0.371 nan 8.250 nan 0.000 0.467 382 F N 3.485 123.462 119.950 0.047 0.000 2.404 382 F HA 0.269 4.804 4.527 0.014 0.000 0.345 382 F C -1.787 174.025 175.800 0.020 0.000 1.110 382 F CA -2.575 55.456 58.000 0.051 0.000 1.130 382 F CB 0.611 39.632 39.000 0.035 0.000 1.129 382 F HN 0.323 nan 8.300 nan 0.000 0.500 383 P HA 0.044 nan 4.420 nan 0.000 0.265 383 P C 0.903 178.280 177.300 0.129 0.000 1.193 383 P CA 0.210 63.369 63.100 0.098 0.000 0.765 383 P CB 0.594 32.324 31.700 0.050 0.000 0.823 384 L N 2.046 123.328 121.223 0.099 0.000 2.191 384 L HA -0.200 4.148 4.340 0.013 0.000 0.212 384 L C 2.039 178.993 176.870 0.140 0.000 1.103 384 L CA 1.411 56.303 54.840 0.085 0.000 0.769 384 L CB -0.604 41.493 42.059 0.064 0.000 0.908 384 L HN 0.475 nan 8.230 nan 0.000 0.438 385 Y N 0.765 121.123 120.300 0.096 0.000 2.224 385 Y HA -0.327 4.231 4.550 0.013 0.000 0.289 385 Y C 2.734 178.738 175.900 0.172 0.000 1.146 385 Y CA 1.981 60.182 58.100 0.167 0.000 1.182 385 Y CB 0.002 38.623 38.460 0.268 0.000 0.983 385 Y HN 0.166 nan 8.280 nan 0.000 0.524 386 M N -0.902 118.829 119.600 0.219 0.000 2.229 386 M HA -0.147 4.341 4.480 0.013 0.000 0.264 386 M C 1.379 177.747 176.300 0.114 0.000 1.063 386 M CA 1.629 57.031 55.300 0.168 0.000 1.114 386 M CB -0.253 32.480 32.600 0.221 0.000 1.387 386 M HN 0.194 nan 8.290 nan 0.000 0.420 387 I N 1.153 121.763 120.570 0.068 0.000 2.202 387 I HA -0.109 4.069 4.170 0.013 0.000 0.242 387 I C 2.726 178.865 176.117 0.038 0.000 1.091 387 I CA 1.744 63.039 61.300 -0.007 0.000 1.368 387 I CB -2.028 35.865 38.000 -0.179 0.000 1.058 387 I HN 0.475 nan 8.210 nan 0.000 0.410 388 G N -0.579 108.220 108.800 -0.001 0.000 2.403 388 G HA2 -0.237 3.731 3.960 0.013 0.000 0.216 388 G HA3 -0.237 3.731 3.960 0.013 0.000 0.216 388 G C 1.682 176.544 174.900 -0.062 0.000 1.154 388 G CA 0.318 45.404 45.100 -0.024 0.000 0.784 388 G HN 0.383 nan 8.290 nan 0.000 0.538 389 H N 1.159 120.091 119.070 -0.230 0.000 2.389 389 H HA -0.053 4.510 4.556 0.012 0.000 0.299 389 H C 2.733 178.028 175.328 -0.055 0.000 1.081 389 H CA 1.542 57.466 56.048 -0.207 0.000 1.345 389 H CB -0.332 29.270 29.762 -0.265 0.000 1.393 389 H HN 0.318 nan 8.280 nan 0.000 0.520 390 G N 0.316 109.209 108.800 0.156 0.000 2.408 390 G HA2 -0.200 3.768 3.960 0.013 0.000 0.217 390 G HA3 -0.200 3.768 3.960 0.013 0.000 0.217 390 G C 1.903 176.862 174.900 0.099 0.000 1.150 390 G CA 0.612 45.798 45.100 0.144 0.000 0.776 390 G HN 0.323 nan 8.290 nan 0.000 0.542 391 M N -0.310 119.350 119.600 0.100 0.000 2.132 391 M HA 0.038 4.526 4.480 0.013 0.000 0.263 391 M C 2.440 178.749 176.300 0.016 0.000 1.065 391 M CA 0.955 56.302 55.300 0.078 0.000 1.122 391 M CB -0.444 32.223 32.600 0.111 0.000 1.365 391 M HN 0.274 nan 8.290 nan 0.000 0.411 392 L N 1.113 122.315 121.223 -0.035 0.000 1.989 392 L HA -0.218 4.130 4.340 0.013 0.000 0.211 392 L C 1.772 178.604 176.870 -0.064 0.000 1.071 392 L CA 2.127 56.916 54.840 -0.084 0.000 0.749 392 L CB -0.895 41.048 42.059 -0.192 0.000 0.890 392 L HN 0.193 nan 8.230 nan 0.000 0.431 393 D N -0.926 119.437 120.400 -0.063 0.000 2.123 393 D HA -0.194 4.454 4.640 0.013 0.000 0.196 393 D C 2.358 178.689 176.300 0.052 0.000 0.992 393 D CA 1.531 55.528 54.000 -0.004 0.000 0.833 393 D CB -0.293 40.532 40.800 0.042 0.000 0.954 393 D HN 0.488 nan 8.370 nan 0.000 0.455 394 S N 0.391 116.123 115.700 0.053 0.000 2.348 394 S HA -0.165 4.313 4.470 0.013 0.000 0.221 394 S C 1.507 176.149 174.600 0.071 0.000 1.033 394 S CA 1.398 59.643 58.200 0.075 0.000 1.010 394 S CB -0.198 63.032 63.200 0.050 0.000 0.891 394 S HN 0.008 nan 8.310 nan 0.000 0.442 395 D N 1.277 121.694 120.400 0.030 0.000 2.158 395 D HA -0.088 4.560 4.640 0.013 0.000 0.197 395 D C 1.945 178.255 176.300 0.015 0.000 0.995 395 D CA 0.993 55.001 54.000 0.012 0.000 0.846 395 D CB -0.456 40.341 40.800 -0.005 0.000 0.941 395 D HN 0.396 nan 8.370 nan 0.000 0.456 396 L N -0.285 120.952 121.223 0.025 0.000 2.056 396 L HA -0.193 4.155 4.340 0.013 0.000 0.207 396 L C 2.430 179.332 176.870 0.053 0.000 1.078 396 L CA 1.131 55.986 54.840 0.025 0.000 0.749 396 L CB -0.338 41.731 42.059 0.016 0.000 0.901 396 L HN 0.145 nan 8.230 nan 0.000 0.433 397 H N 0.094 119.163 119.070 -0.002 0.000 2.333 397 H HA -0.104 4.459 4.556 0.012 0.000 0.302 397 H C 2.137 177.468 175.328 0.004 0.000 1.075 397 H CA 1.506 57.559 56.048 0.008 0.000 1.348 397 H CB -0.034 29.738 29.762 0.016 0.000 1.393 397 H HN 0.139 nan 8.280 nan 0.000 0.509 398 L N -0.461 120.703 121.223 -0.100 0.000 2.191 398 L HA -0.103 4.245 4.340 0.013 0.000 0.212 398 L C 2.096 178.896 176.870 -0.116 0.000 1.103 398 L CA 1.272 56.030 54.840 -0.137 0.000 0.769 398 L CB -0.198 41.842 42.059 -0.033 0.000 0.908 398 L HN 0.280 nan 8.230 nan 0.000 0.438 399 S N -0.975 114.679 115.700 -0.076 0.000 2.503 399 S HA -0.009 4.469 4.470 0.013 0.000 0.217 399 S C 1.129 175.694 174.600 -0.058 0.000 0.999 399 S CA 0.244 58.410 58.200 -0.056 0.000 0.914 399 S CB 0.126 63.307 63.200 -0.031 0.000 0.782 399 S HN 0.464 nan 8.310 nan 0.000 0.520 400 S N 2.284 117.942 115.700 -0.070 0.000 3.517 400 S HA 0.407 4.885 4.470 0.013 0.000 0.284 400 S C -0.562 173.994 174.600 -0.073 0.000 1.260 400 S CA -0.474 57.696 58.200 -0.050 0.000 0.975 400 S CB -0.212 62.978 63.200 -0.017 0.000 1.540 400 S HN -0.040 nan 8.310 nan 0.000 0.506 401 K N 2.297 122.658 120.400 -0.065 0.000 2.483 401 K HA 0.689 5.016 4.320 0.013 0.000 0.256 401 K C 0.060 176.619 176.600 -0.068 0.000 0.961 401 K CA -0.206 56.036 56.287 -0.074 0.000 0.873 401 K CB 1.590 34.043 32.500 -0.079 0.000 1.107 401 K HN 0.623 nan 8.250 nan 0.000 0.432 402 A N 2.066 124.840 122.820 -0.076 0.000 2.249 402 A HA 0.275 4.603 4.320 0.013 0.000 0.281 402 A C -0.408 177.076 177.584 -0.167 0.000 1.127 402 A CA -0.370 51.608 52.037 -0.099 0.000 0.833 402 A CB 0.285 19.229 19.000 -0.095 0.000 1.140 402 A HN 0.670 nan 8.150 nan 0.000 0.502 403 Q N 0.463 120.116 119.800 -0.245 0.000 2.307 403 Q HA 0.378 4.725 4.340 0.013 0.000 0.261 403 Q C -1.324 174.341 176.000 -0.559 0.000 1.051 403 Q CA -0.192 55.391 55.803 -0.367 0.000 0.911 403 Q CB 0.425 28.919 28.738 -0.406 0.000 1.227 403 Q HN 0.449 nan 8.270 nan 0.000 0.418 404 V N 6.445 126.127 119.914 -0.388 0.000 2.368 404 V HA 0.158 4.286 4.120 0.013 0.000 0.266 404 V C -0.154 175.771 176.094 -0.282 0.000 1.045 404 V CA -0.336 61.762 62.300 -0.337 0.000 0.899 404 V CB -0.128 31.611 31.823 -0.141 0.000 1.006 404 V HN 0.588 nan 8.190 nan 0.000 0.470 405 F N 3.377 123.285 119.950 -0.070 0.000 2.553 405 F HA 0.292 4.827 4.527 0.014 0.000 0.356 405 F C 0.800 176.679 175.800 0.131 0.000 1.142 405 F CA -0.076 57.895 58.000 -0.048 0.000 1.322 405 F CB 0.236 39.095 39.000 -0.235 0.000 1.126 405 F HN 0.451 nan 8.300 nan 0.000 0.599 406 E N 0.296 120.682 120.200 0.309 0.000 2.263 406 E HA 0.290 4.648 4.350 0.013 0.000 0.264 406 E C -0.972 175.742 176.600 0.190 0.000 0.923 406 E CA -0.793 55.748 56.400 0.235 0.000 0.802 406 E CB 1.036 30.821 29.700 0.141 0.000 1.228 406 E HN 0.433 nan 8.360 nan 0.000 0.417 407 H N 2.124 121.259 119.070 0.107 0.000 2.723 407 H HA 0.226 4.790 4.556 0.013 0.000 0.294 407 H C -1.739 173.613 175.328 0.040 0.000 1.079 407 H CA -1.796 54.292 56.048 0.066 0.000 1.411 407 H CB 0.268 29.996 29.762 -0.058 0.000 1.439 407 H HN 0.350 nan 8.280 nan 0.000 0.474 408 P HA 0.000 nan 4.420 nan 0.000 0.216 408 P CA 0.000 63.146 63.100 0.077 0.000 0.800 408 P CB 0.000 31.735 31.700 0.058 0.000 0.726