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 2dqw_1_B DATA FIRST_RESID 15 DATA SEQUENCE RTLWLRDRAL DLDRVRLLGV LNLTPXXXXX XXXXXXPERA LERAREMVAE DATA SEQUENCE GADILDLGAE SXXXXXXXXP VEEEKRRLLP VLEAVLSLGV PVSVDTRKPE DATA SEQUENCE VAEEALKLGA HLLNDVTGLR DERMVALAAR HGVAAVVMHM PVPXXXXXXA DATA SEQUENCE HARYRDVVAE VKAFLEAQAR RALSAGVPQV VLDPGFGFGK LLEHNLALLR DATA SEQUENCE RLDEIVALGH PVLVGLSRKR TIGELSGVED PAQRVHGSVA AHLFAVMKGV DATA SEQUENCE RLLRVHDVRA HREALGVWEA LY 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 15 R HA 0.000 nan 4.340 nan 0.000 0.208 15 R C 0.000 176.323 176.300 0.038 0.000 0.893 15 R CA 0.000 56.116 56.100 0.026 0.000 0.921 15 R CB 0.000 30.314 30.300 0.023 0.000 0.687 16 T N -1.428 113.158 114.554 0.053 0.000 2.896 16 T HA 0.675 5.026 4.350 0.002 0.000 0.297 16 T C -1.544 173.213 174.700 0.096 0.000 1.108 16 T CA -0.903 61.240 62.100 0.072 0.000 1.004 16 T CB 1.795 70.718 68.868 0.092 0.000 1.159 16 T HN 0.332 nan 8.240 nan 0.000 0.499 17 L N 2.548 123.830 121.223 0.098 0.000 2.298 17 L HA 0.530 4.871 4.340 0.002 0.000 0.284 17 L C -0.526 176.442 176.870 0.163 0.000 1.013 17 L CA -0.864 54.044 54.840 0.112 0.000 0.824 17 L CB 1.160 43.249 42.059 0.051 0.000 1.221 17 L HN 0.860 nan 8.230 nan 0.000 0.418 18 W N 7.627 128.937 121.300 0.017 0.000 2.266 18 W HA 0.316 4.978 4.660 0.003 0.000 0.317 18 W C -1.201 175.337 176.519 0.032 0.000 1.310 18 W CA -0.591 56.768 57.345 0.022 0.000 1.207 18 W CB 1.045 30.520 29.460 0.025 0.000 1.199 18 W HN 0.488 nan 8.180 nan 0.000 0.544 19 L N 8.702 129.459 121.223 -0.776 0.000 2.732 19 L HA 0.171 4.512 4.340 0.002 0.000 0.246 19 L C 1.201 177.653 176.870 -0.696 0.000 1.407 19 L CA -0.306 54.205 54.840 -0.550 0.000 0.861 19 L CB 0.306 42.160 42.059 -0.341 0.000 1.161 19 L HN 0.769 nan 8.230 nan 0.000 0.510 20 R N 1.413 121.374 120.500 -0.899 0.000 1.396 20 R HA -0.303 4.039 4.340 0.002 0.000 0.053 20 R C 0.412 176.488 176.300 -0.373 0.000 0.951 20 R CA 2.739 58.616 56.100 -0.371 0.000 1.960 20 R CB -0.864 29.377 30.300 -0.099 0.000 0.309 20 R HN 0.746 nan 8.270 nan 0.000 0.719 21 D N 0.016 120.136 120.400 -0.467 0.000 2.582 21 D HA 0.179 4.820 4.640 0.002 0.000 0.246 21 D C -0.113 175.986 176.300 -0.335 0.000 1.334 21 D CA -0.373 53.483 54.000 -0.240 0.000 0.805 21 D CB 0.308 41.091 40.800 -0.028 0.000 1.087 21 D HN 0.526 nan 8.370 nan 0.000 0.499 22 R N -0.694 119.388 120.500 -0.695 0.000 2.710 22 R HA 0.818 5.160 4.340 0.002 0.000 0.270 22 R C -1.804 174.227 176.300 -0.448 0.000 1.021 22 R CA -1.133 54.732 56.100 -0.392 0.000 0.889 22 R CB 0.950 31.104 30.300 -0.244 0.000 1.243 22 R HN -0.026 nan 8.270 nan 0.000 0.464 23 A N 1.812 124.580 122.820 -0.085 0.000 2.318 23 A HA 0.585 4.907 4.320 0.002 0.000 0.317 23 A C -1.337 176.255 177.584 0.012 0.000 1.159 23 A CA -0.782 51.295 52.037 0.067 0.000 0.799 23 A CB 1.346 20.496 19.000 0.250 0.000 1.194 23 A HN 0.540 nan 8.150 nan 0.000 0.479 24 L N 2.710 123.935 121.223 0.004 0.000 2.287 24 L HA 0.419 4.761 4.340 0.002 0.000 0.287 24 L C -0.747 176.135 176.870 0.021 0.000 1.022 24 L CA -0.237 54.597 54.840 -0.009 0.000 0.814 24 L CB 1.084 43.120 42.059 -0.039 0.000 1.217 24 L HN 0.636 nan 8.230 nan 0.000 0.420 25 D N 5.461 125.873 120.400 0.020 0.000 2.389 25 D HA 0.147 4.789 4.640 0.002 0.000 0.247 25 D C 0.383 176.696 176.300 0.021 0.000 1.128 25 D CA 0.232 54.248 54.000 0.027 0.000 0.884 25 D CB 1.591 42.406 40.800 0.024 0.000 1.194 25 D HN 0.532 nan 8.370 nan 0.000 0.441 26 L N 2.067 123.305 121.223 0.025 0.000 2.912 26 L HA 0.057 4.399 4.340 0.002 0.000 0.240 26 L C 1.492 178.377 176.870 0.025 0.000 1.262 26 L CA -0.268 54.585 54.840 0.022 0.000 1.058 26 L CB -0.001 42.073 42.059 0.025 0.000 1.383 26 L HN 0.326 nan 8.230 nan 0.000 0.512 27 D N 0.943 121.359 120.400 0.026 0.000 2.317 27 D HA -0.106 4.535 4.640 0.002 0.000 0.211 27 D C 0.775 177.096 176.300 0.035 0.000 0.966 27 D CA 0.264 54.282 54.000 0.030 0.000 0.876 27 D CB 0.359 41.175 40.800 0.027 0.000 0.927 27 D HN 0.452 nan 8.370 nan 0.000 0.519 28 R N -0.626 119.893 120.500 0.032 0.000 2.799 28 R HA 0.536 4.878 4.340 0.002 0.000 0.270 28 R C -1.053 175.265 176.300 0.030 0.000 1.010 28 R CA -0.978 55.146 56.100 0.040 0.000 0.916 28 R CB 1.327 31.649 30.300 0.038 0.000 1.228 28 R HN -0.217 nan 8.270 nan 0.000 0.469 29 V N 2.609 122.544 119.914 0.036 0.000 2.585 29 V HA 0.164 4.285 4.120 0.002 0.000 0.296 29 V C 0.271 176.366 176.094 0.001 0.000 1.035 29 V CA -0.001 62.308 62.300 0.015 0.000 1.084 29 V CB 0.388 32.222 31.823 0.019 0.000 0.953 29 V HN 0.562 nan 8.190 nan 0.000 0.483 30 R N 4.886 125.374 120.500 -0.020 0.000 2.532 30 R HA 0.653 4.995 4.340 0.002 0.000 0.295 30 R C -0.880 175.383 176.300 -0.061 0.000 0.968 30 R CA -0.706 55.374 56.100 -0.032 0.000 0.916 30 R CB 1.644 31.925 30.300 -0.032 0.000 1.124 30 R HN 0.571 nan 8.270 nan 0.000 0.463 31 L N 3.231 124.415 121.223 -0.065 0.000 2.329 31 L HA 0.483 4.824 4.340 0.002 0.000 0.279 31 L C -0.534 176.276 176.870 -0.099 0.000 1.014 31 L CA -1.139 53.641 54.840 -0.101 0.000 0.814 31 L CB 1.307 43.313 42.059 -0.088 0.000 1.257 31 L HN 0.196 nan 8.230 nan 0.000 0.424 32 L N 2.747 123.895 121.223 -0.124 0.000 2.277 32 L HA 0.458 4.800 4.340 0.002 0.000 0.284 32 L C 0.658 177.455 176.870 -0.122 0.000 1.028 32 L CA 0.118 54.894 54.840 -0.106 0.000 0.835 32 L CB 1.349 43.349 42.059 -0.098 0.000 1.215 32 L HN 0.600 nan 8.230 nan 0.000 0.425 33 G N 3.418 112.161 108.800 -0.094 0.000 2.358 33 G HA2 0.428 4.390 3.960 0.002 0.000 0.273 33 G HA3 0.428 4.390 3.960 0.002 0.000 0.273 33 G C -0.179 174.666 174.900 -0.092 0.000 1.215 33 G CA -0.336 44.711 45.100 -0.090 0.000 0.910 33 G HN 0.318 nan 8.290 nan 0.000 0.467 34 V N 3.558 123.388 119.914 -0.141 0.000 2.555 34 V HA 0.224 4.345 4.120 0.002 0.000 0.286 34 V C 0.073 176.139 176.094 -0.046 0.000 1.044 34 V CA -0.384 61.832 62.300 -0.140 0.000 1.026 34 V CB 1.312 32.931 31.823 -0.339 0.000 0.981 34 V HN 0.561 nan 8.190 nan 0.000 0.480 35 L N 6.040 127.254 121.223 -0.015 0.000 2.442 35 L HA 0.466 4.807 4.340 0.002 0.000 0.261 35 L C -0.238 176.648 176.870 0.028 0.000 1.000 35 L CA -0.037 54.813 54.840 0.016 0.000 0.882 35 L CB 0.951 43.014 42.059 0.007 0.000 1.207 35 L HN 0.636 nan 8.230 nan 0.000 0.443 36 N N 5.648 124.380 118.700 0.054 0.000 2.411 36 N HA 0.291 5.033 4.740 0.002 0.000 0.259 36 N C -0.107 175.426 175.510 0.039 0.000 1.103 36 N CA -0.268 52.815 53.050 0.056 0.000 0.954 36 N CB 0.955 39.494 38.487 0.086 0.000 1.085 36 N HN 0.557 nan 8.380 nan 0.000 0.485 37 L N 2.585 123.825 121.223 0.029 0.000 3.036 37 L HA 0.152 4.494 4.340 0.002 0.000 0.237 37 L C 0.552 177.434 176.870 0.020 0.000 1.319 37 L CA -0.281 54.572 54.840 0.021 0.000 1.112 37 L CB -0.846 41.222 42.059 0.015 0.000 1.480 37 L HN 0.535 nan 8.230 nan 0.000 0.506 38 T N -3.002 111.567 114.554 0.024 0.000 2.888 38 T HA 0.662 5.014 4.350 0.002 0.000 0.284 38 T C -1.495 173.214 174.700 0.015 0.000 1.017 38 T CA -1.352 60.760 62.100 0.020 0.000 1.022 38 T CB 1.704 70.587 68.868 0.025 0.000 1.013 38 T HN 0.040 nan 8.240 nan 0.000 0.465 52 E N 0.136 120.339 120.200 0.005 0.000 2.481 52 E HA -0.048 4.303 4.350 0.002 0.000 0.195 52 E C 0.948 177.551 176.600 0.005 0.000 1.047 52 E CA 0.413 56.816 56.400 0.005 0.000 0.867 52 E CB 0.397 30.100 29.700 0.004 0.000 0.858 52 E HN 0.321 nan 8.360 nan 0.000 0.513 53 R N 0.555 121.059 120.500 0.006 0.000 2.391 53 R HA 0.222 4.563 4.340 0.002 0.000 0.249 53 R C 0.983 177.288 176.300 0.008 0.000 0.957 53 R CA 0.554 56.657 56.100 0.007 0.000 1.093 53 R CB 0.244 30.548 30.300 0.006 0.000 1.156 53 R HN 0.207 nan 8.270 nan 0.000 0.526 54 A N -0.425 122.400 122.820 0.008 0.000 2.312 54 A HA 0.072 4.393 4.320 0.002 0.000 0.215 54 A C 1.271 178.860 177.584 0.008 0.000 1.256 54 A CA -0.268 51.775 52.037 0.010 0.000 0.966 54 A CB 0.183 19.189 19.000 0.010 0.000 1.053 54 A HN 0.317 nan 8.150 nan 0.000 0.510 55 L N 0.341 121.568 121.223 0.007 0.000 2.131 55 L HA 0.108 4.450 4.340 0.002 0.000 0.206 55 L C 1.894 178.767 176.870 0.005 0.000 1.087 55 L CA 2.427 57.270 54.840 0.006 0.000 0.767 55 L CB -0.293 41.769 42.059 0.005 0.000 0.917 55 L HN 0.522 nan 8.230 nan 0.000 0.441 56 E N -0.873 119.330 120.200 0.006 0.000 2.208 56 E HA -0.248 4.104 4.350 0.002 0.000 0.193 56 E C 2.122 178.726 176.600 0.007 0.000 0.988 56 E CA 0.340 56.743 56.400 0.006 0.000 0.828 56 E CB 0.065 29.768 29.700 0.006 0.000 0.763 56 E HN 0.261 nan 8.360 nan 0.000 0.478 57 R N 0.536 121.041 120.500 0.009 0.000 2.148 57 R HA 0.036 4.378 4.340 0.002 0.000 0.223 57 R C 1.726 178.032 176.300 0.009 0.000 1.088 57 R CA 1.449 57.556 56.100 0.012 0.000 0.985 57 R CB -0.557 29.753 30.300 0.015 0.000 0.880 57 R HN 0.161 nan 8.270 nan 0.000 0.451 58 A N 0.565 123.389 122.820 0.006 0.000 1.872 58 A HA -0.053 4.268 4.320 0.002 0.000 0.214 58 A C 2.088 179.672 177.584 -0.000 0.000 1.187 58 A CA 1.224 53.262 52.037 0.002 0.000 0.614 58 A CB -0.321 18.680 19.000 0.001 0.000 0.826 58 A HN 0.370 nan 8.150 nan 0.000 0.442 59 R N -0.246 120.255 120.500 0.001 0.000 2.152 59 R HA -0.092 4.249 4.340 0.002 0.000 0.232 59 R C 2.120 178.422 176.300 0.002 0.000 1.117 59 R CA 1.338 57.439 56.100 0.001 0.000 0.981 59 R CB -0.233 30.068 30.300 0.002 0.000 0.870 59 R HN 0.776 nan 8.270 nan 0.000 0.451 60 E N 0.899 121.102 120.200 0.005 0.000 2.047 60 E HA -0.151 4.201 4.350 0.002 0.000 0.191 60 E C 1.892 178.497 176.600 0.008 0.000 0.987 60 E CA 1.106 57.511 56.400 0.008 0.000 0.799 60 E CB 0.095 29.802 29.700 0.011 0.000 0.752 60 E HN 0.252 nan 8.360 nan 0.000 0.449 61 M N 0.057 119.660 119.600 0.006 0.000 2.175 61 M HA -0.131 4.351 4.480 0.002 0.000 0.264 61 M C 2.290 178.588 176.300 -0.003 0.000 1.063 61 M CA 0.778 56.080 55.300 0.003 0.000 1.119 61 M CB 0.055 32.654 32.600 -0.003 0.000 1.377 61 M HN 0.076 nan 8.290 nan 0.000 0.415 62 V N 0.600 120.511 119.914 -0.006 0.000 2.343 62 V HA -0.255 3.867 4.120 0.002 0.000 0.247 62 V C 2.640 178.731 176.094 -0.005 0.000 1.051 62 V CA 2.054 64.348 62.300 -0.011 0.000 1.036 62 V CB -1.188 30.628 31.823 -0.013 0.000 0.654 62 V HN 0.521 nan 8.190 nan 0.000 0.451 63 A N -0.447 122.373 122.820 -0.000 0.000 1.969 63 A HA -0.188 4.133 4.320 0.002 0.000 0.218 63 A C 2.078 179.667 177.584 0.008 0.000 1.169 63 A CA 1.502 53.541 52.037 0.004 0.000 0.635 63 A CB -0.375 18.628 19.000 0.006 0.000 0.810 63 A HN 0.649 nan 8.150 nan 0.000 0.445 64 E N -1.603 118.604 120.200 0.010 0.000 2.481 64 E HA 0.216 4.567 4.350 0.002 0.000 0.195 64 E C 1.036 177.647 176.600 0.018 0.000 1.047 64 E CA 0.357 56.768 56.400 0.018 0.000 0.867 64 E CB -0.016 29.698 29.700 0.024 0.000 0.858 64 E HN 0.740 nan 8.360 nan 0.000 0.513 65 G N 1.015 109.821 108.800 0.009 0.000 2.183 65 G HA2 -0.178 3.783 3.960 0.002 0.000 0.168 65 G HA3 -0.178 3.783 3.960 0.002 0.000 0.168 65 G C 0.269 175.166 174.900 -0.005 0.000 1.008 65 G CA -0.218 44.886 45.100 0.006 0.000 0.677 65 G HN 0.392 nan 8.290 nan 0.000 0.498 66 A N 0.336 123.148 122.820 -0.014 0.000 2.477 66 A HA 0.546 4.868 4.320 0.002 0.000 0.246 66 A C 1.087 178.648 177.584 -0.039 0.000 1.078 66 A CA 0.847 52.866 52.037 -0.031 0.000 0.770 66 A CB 0.299 19.279 19.000 -0.034 0.000 1.011 66 A HN 0.235 nan 8.150 nan 0.000 0.494 67 D N 1.137 121.508 120.400 -0.050 0.000 2.277 67 D HA 0.163 4.805 4.640 0.002 0.000 0.209 67 D C 0.149 176.402 176.300 -0.079 0.000 0.970 67 D CA 1.224 55.189 54.000 -0.059 0.000 0.874 67 D CB 0.312 41.079 40.800 -0.055 0.000 0.982 67 D HN 0.561 nan 8.370 nan 0.000 0.504 68 I N 1.094 121.619 120.570 -0.074 0.000 2.722 68 I HA 0.232 4.404 4.170 0.002 0.000 0.295 68 I C -0.883 175.197 176.117 -0.061 0.000 1.161 68 I CA -0.705 60.548 61.300 -0.078 0.000 1.032 68 I CB 3.004 40.959 38.000 -0.075 0.000 1.244 68 I HN -0.319 nan 8.210 nan 0.000 0.421 69 L N 4.068 125.263 121.223 -0.047 0.000 2.272 69 L HA 0.387 4.729 4.340 0.002 0.000 0.289 69 L C -0.762 176.092 176.870 -0.028 0.000 1.032 69 L CA -0.322 54.498 54.840 -0.034 0.000 0.810 69 L CB 1.223 43.270 42.059 -0.020 0.000 1.205 69 L HN 0.516 nan 8.230 nan 0.000 0.422 70 D N 3.866 124.244 120.400 -0.038 0.000 2.454 70 D HA 0.445 5.086 4.640 0.002 0.000 0.225 70 D C -1.026 175.259 176.300 -0.024 0.000 1.081 70 D CA -0.301 53.678 54.000 -0.034 0.000 0.864 70 D CB 0.883 41.651 40.800 -0.054 0.000 1.040 70 D HN 0.092 nan 8.370 nan 0.000 0.517 71 L N 3.226 124.441 121.223 -0.012 0.000 2.295 71 L HA 0.773 5.114 4.340 0.002 0.000 0.285 71 L C 0.774 177.643 176.870 -0.001 0.000 1.035 71 L CA -0.426 54.412 54.840 -0.004 0.000 0.806 71 L CB 1.898 43.956 42.059 -0.002 0.000 1.214 71 L HN 0.471 nan 8.230 nan 0.000 0.426 72 G N 0.951 109.756 108.800 0.007 0.000 2.638 72 G HA2 0.628 4.589 3.960 0.002 0.000 0.302 72 G HA3 0.628 4.589 3.960 0.002 0.000 0.302 72 G C -0.295 174.617 174.900 0.019 0.000 1.365 72 G CA 0.162 45.270 45.100 0.014 0.000 0.987 72 G HN 0.714 nan 8.290 nan 0.000 0.495 73 A N 1.229 124.058 122.820 0.016 0.000 2.287 73 A HA 0.486 4.807 4.320 0.002 0.000 0.214 73 A C 0.676 178.272 177.584 0.020 0.000 1.228 73 A CA 0.311 52.358 52.037 0.016 0.000 0.939 73 A CB 0.208 19.213 19.000 0.009 0.000 0.992 73 A HN 0.584 nan 8.150 nan 0.000 0.502 74 E N 1.511 121.725 120.200 0.023 0.000 2.146 74 E HA 0.439 4.790 4.350 0.002 0.000 0.282 74 E C 0.498 177.123 176.600 0.041 0.000 0.989 74 E CA -0.039 56.377 56.400 0.027 0.000 0.799 74 E CB 0.815 30.529 29.700 0.023 0.000 1.088 74 E HN 0.414 nan 8.360 nan 0.000 0.397 85 V N -1.259 118.657 119.914 0.004 0.000 3.625 85 V HA 0.081 4.202 4.120 0.002 0.000 0.302 85 V C 1.444 177.539 176.094 0.002 0.000 1.112 85 V CA 0.574 62.876 62.300 0.003 0.000 1.173 85 V CB 0.477 32.301 31.823 0.002 0.000 1.096 85 V HN 0.819 nan 8.190 nan 0.000 0.486 86 E N -0.157 120.044 120.200 0.001 0.000 2.152 86 E HA -0.168 4.183 4.350 0.002 0.000 0.192 86 E C 1.458 178.058 176.600 -0.001 0.000 0.983 86 E CA 0.986 57.386 56.400 -0.000 0.000 0.818 86 E CB 0.057 29.757 29.700 -0.001 0.000 0.758 86 E HN 0.883 nan 8.360 nan 0.000 0.467 87 E N 1.341 121.540 120.200 -0.000 0.000 2.651 87 E HA -0.106 4.246 4.350 0.002 0.000 0.236 87 E C 0.370 176.970 176.600 -0.000 0.000 1.422 87 E CA 0.187 56.587 56.400 -0.000 0.000 1.534 87 E CB -0.493 29.207 29.700 0.000 0.000 1.381 87 E HN 0.429 nan 8.360 nan 0.000 0.435 88 E N -0.523 119.677 120.200 -0.000 0.000 2.511 88 E HA -0.101 4.250 4.350 0.002 0.000 0.196 88 E C 1.069 177.668 176.600 -0.001 0.000 1.066 88 E CA 0.215 56.615 56.400 0.001 0.000 0.871 88 E CB 0.060 29.761 29.700 0.002 0.000 0.863 88 E HN 0.188 nan 8.360 nan 0.000 0.520 89 K N 1.050 121.448 120.400 -0.003 0.000 2.147 89 K HA -0.073 4.248 4.320 0.002 0.000 0.205 89 K C 2.104 178.703 176.600 -0.003 0.000 1.049 89 K CA 1.094 57.378 56.287 -0.004 0.000 0.936 89 K CB -0.070 32.427 32.500 -0.005 0.000 0.722 89 K HN 0.116 nan 8.250 nan 0.000 0.446 90 R N 0.503 121.002 120.500 -0.001 0.000 2.148 90 R HA -0.004 4.338 4.340 0.002 0.000 0.227 90 R C 2.175 178.475 176.300 0.001 0.000 1.103 90 R CA 0.827 56.927 56.100 -0.000 0.000 0.983 90 R CB -0.000 30.300 30.300 0.001 0.000 0.874 90 R HN 0.167 nan 8.270 nan 0.000 0.451 91 R N -0.086 120.415 120.500 0.002 0.000 2.161 91 R HA -0.019 4.323 4.340 0.002 0.000 0.213 91 R C 1.742 178.044 176.300 0.003 0.000 1.055 91 R CA 0.694 56.796 56.100 0.003 0.000 0.996 91 R CB -0.026 30.276 30.300 0.005 0.000 0.901 91 R HN 0.123 nan 8.270 nan 0.000 0.456 92 L N 0.120 121.343 121.223 -0.000 0.000 2.546 92 L HA 0.114 4.456 4.340 0.002 0.000 0.185 92 L C 1.975 178.843 176.870 -0.004 0.000 1.247 92 L CA 0.910 55.748 54.840 -0.002 0.000 0.848 92 L CB -0.835 41.220 42.059 -0.005 0.000 1.133 92 L HN -0.065 nan 8.230 nan 0.000 0.504 93 L N 0.457 121.676 121.223 -0.007 0.000 2.095 93 L HA -0.300 4.041 4.340 0.002 0.000 0.229 93 L C -0.238 176.628 176.870 -0.005 0.000 1.097 93 L CA 2.237 57.072 54.840 -0.008 0.000 0.813 93 L CB -2.370 39.684 42.059 -0.008 0.000 0.907 93 L HN 0.307 nan 8.230 nan 0.000 0.445 94 P HA -0.140 nan 4.420 nan 0.000 0.215 94 P C 1.925 179.225 177.300 -0.000 0.000 1.157 94 P CA 1.275 64.374 63.100 -0.001 0.000 0.868 94 P CB 0.056 31.756 31.700 0.000 0.000 0.788 95 V N -0.762 119.152 119.914 0.001 0.000 2.379 95 V HA -0.173 3.948 4.120 0.002 0.000 0.245 95 V C 2.367 178.462 176.094 0.001 0.000 1.044 95 V CA 1.230 63.531 62.300 0.002 0.000 1.036 95 V CB -1.256 30.569 31.823 0.003 0.000 0.664 95 V HN 0.040 nan 8.190 nan 0.000 0.453 96 L N 0.744 121.966 121.223 -0.001 0.000 1.990 96 L HA -0.226 4.115 4.340 0.002 0.000 0.213 96 L C 2.456 179.325 176.870 -0.002 0.000 1.072 96 L CA 2.516 57.354 54.840 -0.003 0.000 0.755 96 L CB -0.840 41.212 42.059 -0.011 0.000 0.889 96 L HN 0.461 nan 8.230 nan 0.000 0.432 97 E N -0.807 119.390 120.200 -0.004 0.000 2.058 97 E HA -0.274 4.077 4.350 0.002 0.000 0.194 97 E C 2.051 178.652 176.600 0.002 0.000 0.997 97 E CA 1.358 57.756 56.400 -0.003 0.000 0.801 97 E CB -0.227 29.471 29.700 -0.004 0.000 0.746 97 E HN 0.646 nan 8.360 nan 0.000 0.450 98 A N 0.443 123.265 122.820 0.003 0.000 1.858 98 A HA -0.157 4.165 4.320 0.002 0.000 0.216 98 A C 2.437 180.025 177.584 0.007 0.000 1.190 98 A CA 1.619 53.658 52.037 0.004 0.000 0.617 98 A CB -0.826 18.177 19.000 0.004 0.000 0.827 98 A HN 0.232 nan 8.150 nan 0.000 0.443 99 V N 0.296 120.215 119.914 0.008 0.000 2.392 99 V HA -0.267 3.854 4.120 0.002 0.000 0.249 99 V C 2.488 178.593 176.094 0.019 0.000 1.059 99 V CA 1.912 64.219 62.300 0.010 0.000 1.051 99 V CB -0.810 31.019 31.823 0.010 0.000 0.658 99 V HN 0.565 nan 8.190 nan 0.000 0.455 100 L N 0.941 122.178 121.223 0.024 0.000 2.265 100 L HA -0.139 4.203 4.340 0.002 0.000 0.215 100 L C 2.535 179.427 176.870 0.036 0.000 1.117 100 L CA 1.557 56.424 54.840 0.044 0.000 0.782 100 L CB -0.651 41.426 42.059 0.029 0.000 0.914 100 L HN 0.573 nan 8.230 nan 0.000 0.441 101 S N -0.476 115.236 115.700 0.019 0.000 2.515 101 S HA -0.049 4.423 4.470 0.002 0.000 0.231 101 S C 1.710 176.317 174.600 0.010 0.000 0.987 101 S CA 0.429 58.637 58.200 0.014 0.000 0.936 101 S CB -0.374 62.831 63.200 0.009 0.000 0.766 101 S HN 0.445 nan 8.310 nan 0.000 0.528 102 L N 0.853 122.081 121.223 0.009 0.000 2.552 102 L HA 0.224 4.565 4.340 0.002 0.000 0.227 102 L C 2.124 178.991 176.870 -0.005 0.000 1.146 102 L CA 0.502 55.343 54.840 0.001 0.000 0.858 102 L CB -0.968 41.090 42.059 -0.003 0.000 0.969 102 L HN 0.603 nan 8.230 nan 0.000 0.451 103 G N -0.026 108.775 108.800 0.002 0.000 2.184 103 G HA2 -0.263 3.699 3.960 0.002 0.000 0.264 103 G HA3 -0.263 3.699 3.960 0.002 0.000 0.264 103 G C 0.285 175.154 174.900 -0.051 0.000 0.975 103 G CA 0.209 45.302 45.100 -0.010 0.000 0.642 103 G HN 0.147 nan 8.290 nan 0.000 0.536 104 V N 1.659 121.540 119.914 -0.055 0.000 2.567 104 V HA 0.475 4.597 4.120 0.002 0.000 0.289 104 V C -1.472 174.514 176.094 -0.181 0.000 1.049 104 V CA -1.623 60.613 62.300 -0.107 0.000 0.969 104 V CB 1.544 33.326 31.823 -0.069 0.000 0.995 104 V HN 0.078 nan 8.190 nan 0.000 0.471 105 P HA 0.122 nan 4.420 nan 0.000 0.266 105 P C -0.947 176.268 177.300 -0.142 0.000 1.195 105 P CA 0.231 62.982 63.100 -0.583 0.000 0.768 105 P CB 0.427 31.846 31.700 -0.468 0.000 0.838 106 V N 2.433 122.452 119.914 0.176 0.000 2.588 106 V HA 0.425 4.547 4.120 0.002 0.000 0.304 106 V C 0.049 176.207 176.094 0.107 0.000 1.042 106 V CA -0.475 61.905 62.300 0.133 0.000 0.877 106 V CB 1.929 33.830 31.823 0.129 0.000 0.996 106 V HN 0.488 nan 8.190 nan 0.000 0.425 107 S N 3.222 118.940 115.700 0.030 0.000 2.489 107 S HA 0.702 5.173 4.470 0.002 0.000 0.291 107 S C -0.874 173.723 174.600 -0.004 0.000 1.151 107 S CA -0.463 57.742 58.200 0.008 0.000 1.082 107 S CB 1.625 64.818 63.200 -0.012 0.000 1.019 107 S HN 0.761 nan 8.310 nan 0.000 0.492 108 V N 4.498 124.404 119.914 -0.014 0.000 2.417 108 V HA 0.518 4.639 4.120 0.002 0.000 0.291 108 V C -1.304 174.776 176.094 -0.023 0.000 1.024 108 V CA -0.669 61.619 62.300 -0.021 0.000 0.861 108 V CB 1.683 33.487 31.823 -0.032 0.000 0.985 108 V HN 0.953 nan 8.190 nan 0.000 0.436 109 D N 4.998 125.388 120.400 -0.017 0.000 2.443 109 D HA 0.408 5.049 4.640 0.002 0.000 0.221 109 D C -0.267 176.026 176.300 -0.012 0.000 1.097 109 D CA 0.234 54.225 54.000 -0.015 0.000 0.865 109 D CB 1.707 42.505 40.800 -0.005 0.000 1.034 109 D HN 0.622 nan 8.370 nan 0.000 0.511 110 T N 0.757 115.300 114.554 -0.019 0.000 2.894 110 T HA 0.308 4.659 4.350 0.002 0.000 0.309 110 T C 0.498 175.187 174.700 -0.019 0.000 1.208 110 T CA -0.538 61.553 62.100 -0.016 0.000 1.016 110 T CB 1.708 70.563 68.868 -0.021 0.000 1.192 110 T HN 0.217 nan 8.240 nan 0.000 0.491 111 R N 0.829 121.321 120.500 -0.013 0.000 2.195 111 R HA 0.256 4.598 4.340 0.002 0.000 0.197 111 R C 0.163 176.455 176.300 -0.014 0.000 0.990 111 R CA 0.181 56.273 56.100 -0.013 0.000 1.048 111 R CB 0.273 30.570 30.300 -0.006 0.000 0.997 111 R HN 0.389 nan 8.270 nan 0.000 0.502 112 K N 1.842 122.235 120.400 -0.013 0.000 2.349 112 K HA 0.117 4.438 4.320 0.002 0.000 0.288 112 K C -2.122 174.466 176.600 -0.019 0.000 1.058 112 K CA -1.522 54.757 56.287 -0.013 0.000 0.953 112 K CB 1.084 33.578 32.500 -0.009 0.000 0.997 112 K HN -0.182 nan 8.250 nan 0.000 0.477 113 P HA -0.175 nan 4.420 nan 0.000 0.219 113 P C 0.390 177.675 177.300 -0.025 0.000 1.146 113 P CA 1.142 64.228 63.100 -0.024 0.000 0.808 113 P CB 0.324 32.016 31.700 -0.013 0.000 0.779 114 E N -0.794 119.396 120.200 -0.017 0.000 2.051 114 E HA -0.123 4.229 4.350 0.002 0.000 0.192 114 E C 1.962 178.549 176.600 -0.021 0.000 0.991 114 E CA 1.105 57.496 56.400 -0.014 0.000 0.799 114 E CB -1.062 28.634 29.700 -0.008 0.000 0.748 114 E HN 0.037 nan 8.360 nan 0.000 0.449 115 V N 0.898 120.798 119.914 -0.023 0.000 2.379 115 V HA -0.219 3.903 4.120 0.002 0.000 0.245 115 V C 2.191 178.259 176.094 -0.044 0.000 1.044 115 V CA 1.648 63.931 62.300 -0.027 0.000 1.036 115 V CB -0.841 30.969 31.823 -0.021 0.000 0.664 115 V HN 0.341 nan 8.190 nan 0.000 0.453 116 A N 0.168 122.955 122.820 -0.055 0.000 1.858 116 A HA -0.305 4.016 4.320 0.002 0.000 0.216 116 A C 2.261 179.766 177.584 -0.132 0.000 1.190 116 A CA 2.164 54.149 52.037 -0.087 0.000 0.617 116 A CB -0.659 18.289 19.000 -0.087 0.000 0.827 116 A HN 0.611 nan 8.150 nan 0.000 0.443 117 E N -0.424 119.704 120.200 -0.120 0.000 2.097 117 E HA -0.255 4.096 4.350 0.002 0.000 0.196 117 E C 1.868 178.418 176.600 -0.084 0.000 1.000 117 E CA 1.664 57.983 56.400 -0.134 0.000 0.804 117 E CB -0.069 29.609 29.700 -0.037 0.000 0.740 117 E HN 0.576 nan 8.360 nan 0.000 0.454 118 E N 0.035 120.205 120.200 -0.050 0.000 2.072 118 E HA -0.150 4.201 4.350 0.002 0.000 0.191 118 E C 2.028 178.602 176.600 -0.043 0.000 0.985 118 E CA 1.047 57.430 56.400 -0.028 0.000 0.801 118 E CB -0.397 29.291 29.700 -0.020 0.000 0.750 118 E HN 0.411 nan 8.360 nan 0.000 0.452 119 A N 1.316 124.098 122.820 -0.063 0.000 1.933 119 A HA -0.115 4.206 4.320 0.002 0.000 0.218 119 A C 2.393 179.921 177.584 -0.094 0.000 1.175 119 A CA 0.990 52.985 52.037 -0.069 0.000 0.628 119 A CB -0.653 18.306 19.000 -0.068 0.000 0.814 119 A HN 0.155 nan 8.150 nan 0.000 0.444 120 L N -0.090 121.046 121.223 -0.144 0.000 2.027 120 L HA -0.197 4.145 4.340 0.002 0.000 0.206 120 L C 2.532 179.388 176.870 -0.024 0.000 1.074 120 L CA 1.889 56.625 54.840 -0.173 0.000 0.745 120 L CB -0.498 41.258 42.059 -0.506 0.000 0.898 120 L HN 0.583 nan 8.230 nan 0.000 0.433 121 K N 0.230 120.649 120.400 0.032 0.000 2.515 121 K HA -0.089 4.232 4.320 0.002 0.000 0.196 121 K C 1.695 178.306 176.600 0.019 0.000 1.038 121 K CA 0.976 57.317 56.287 0.091 0.000 0.967 121 K CB -0.059 32.505 32.500 0.106 0.000 0.780 121 K HN 0.345 nan 8.250 nan 0.000 0.483 122 L N -0.164 121.048 121.223 -0.019 0.000 2.416 122 L HA 0.169 4.511 4.340 0.002 0.000 0.216 122 L C 1.195 178.027 176.870 -0.063 0.000 1.098 122 L CA 0.780 55.601 54.840 -0.032 0.000 0.840 122 L CB 0.296 42.335 42.059 -0.034 0.000 0.981 122 L HN 0.685 nan 8.230 nan 0.000 0.462 123 G N -0.845 107.891 108.800 -0.107 0.000 2.370 123 G HA2 -0.126 3.835 3.960 0.002 0.000 0.174 123 G HA3 -0.126 3.835 3.960 0.002 0.000 0.174 123 G C 0.422 175.053 174.900 -0.448 0.000 1.002 123 G CA -0.220 44.750 45.100 -0.216 0.000 0.730 123 G HN 0.335 nan 8.290 nan 0.000 0.497 124 A N -0.005 122.643 122.820 -0.288 0.000 2.609 124 A HA 0.420 4.741 4.320 0.002 0.000 0.232 124 A C 0.891 178.246 177.584 -0.382 0.000 1.041 124 A CA 1.631 53.504 52.037 -0.272 0.000 0.753 124 A CB 0.002 18.919 19.000 -0.137 0.000 0.966 124 A HN 0.684 nan 8.150 nan 0.000 0.510 125 H N 0.344 119.373 119.070 -0.068 0.000 2.639 125 H HA 0.429 4.987 4.556 0.002 0.000 0.267 125 H C -0.257 175.018 175.328 -0.088 0.000 0.958 125 H CA 0.383 56.371 56.048 -0.100 0.000 1.221 125 H CB 0.507 30.189 29.762 -0.133 0.000 1.446 125 H HN 0.432 nan 8.280 nan 0.000 0.512 126 L N 0.827 122.076 121.223 0.044 0.000 2.493 126 L HA 0.389 4.731 4.340 0.002 0.000 0.265 126 L C -1.949 174.917 176.870 -0.006 0.000 0.954 126 L CA -1.140 53.710 54.840 0.018 0.000 0.844 126 L CB 1.983 44.050 42.059 0.013 0.000 1.302 126 L HN 0.008 nan 8.230 nan 0.000 0.405 127 L N 4.524 125.741 121.223 -0.010 0.000 2.262 127 L HA 0.502 4.843 4.340 0.002 0.000 0.288 127 L C -0.487 176.368 176.870 -0.024 0.000 1.035 127 L CA 0.204 55.028 54.840 -0.027 0.000 0.820 127 L CB 0.796 42.834 42.059 -0.036 0.000 1.204 127 L HN 0.774 nan 8.230 nan 0.000 0.424 128 N N 3.190 121.872 118.700 -0.029 0.000 2.558 128 N HA 0.097 4.838 4.740 0.002 0.000 0.233 128 N C -0.970 174.515 175.510 -0.042 0.000 1.038 128 N CA -0.362 52.667 53.050 -0.034 0.000 0.934 128 N CB 0.351 38.818 38.487 -0.033 0.000 1.175 128 N HN 0.574 nan 8.380 nan 0.000 0.512 129 D N 3.751 124.125 120.400 -0.044 0.000 2.339 129 D HA 0.037 4.679 4.640 0.002 0.000 0.241 129 D C 1.202 177.461 176.300 -0.068 0.000 1.183 129 D CA -0.327 53.646 54.000 -0.045 0.000 0.859 129 D CB 1.500 42.279 40.800 -0.035 0.000 1.067 129 D HN 0.204 nan 8.370 nan 0.000 0.484 130 V N 3.426 123.292 119.914 -0.080 0.000 2.427 130 V HA -0.193 3.928 4.120 0.002 0.000 0.248 130 V C 2.263 178.277 176.094 -0.133 0.000 1.051 130 V CA 2.113 64.326 62.300 -0.144 0.000 1.048 130 V CB -0.807 30.949 31.823 -0.112 0.000 0.666 130 V HN 0.780 nan 8.190 nan 0.000 0.456 131 T N -1.241 113.274 114.554 -0.065 0.000 3.439 131 T HA 0.267 4.619 4.350 0.002 0.000 0.251 131 T C 1.376 176.088 174.700 0.020 0.000 1.108 131 T CA 0.462 62.539 62.100 -0.037 0.000 0.982 131 T CB -0.499 68.359 68.868 -0.016 0.000 1.024 131 T HN 0.901 nan 8.240 nan 0.000 0.573 132 G N 1.844 110.660 108.800 0.027 0.000 2.341 132 G HA2 -0.284 3.678 3.960 0.002 0.000 0.292 132 G HA3 -0.284 3.678 3.960 0.002 0.000 0.292 132 G C 0.465 175.400 174.900 0.059 0.000 1.021 132 G CA 0.104 45.279 45.100 0.125 0.000 0.905 132 G HN 0.908 nan 8.290 nan 0.000 0.508 133 L N -2.884 118.343 121.223 0.007 0.000 3.737 133 L HA -0.279 4.063 4.340 0.002 0.000 0.418 133 L C 2.197 179.064 176.870 -0.004 0.000 1.216 133 L CA 1.244 56.074 54.840 -0.016 0.000 0.915 133 L CB -0.908 41.120 42.059 -0.050 0.000 1.834 133 L HN 0.588 nan 8.230 nan 0.000 0.943 134 R N -0.310 120.210 120.500 0.033 0.000 2.236 134 R HA -0.004 4.338 4.340 0.002 0.000 0.208 134 R C 0.821 177.132 176.300 0.018 0.000 1.036 134 R CA 0.314 56.440 56.100 0.045 0.000 1.001 134 R CB 0.072 30.418 30.300 0.076 0.000 0.896 134 R HN 0.313 nan 8.270 nan 0.000 0.464 135 D N 1.304 121.709 120.400 0.008 0.000 2.339 135 D HA 0.009 4.651 4.640 0.002 0.000 0.241 135 D C 0.378 176.676 176.300 -0.003 0.000 1.183 135 D CA 0.099 54.100 54.000 0.002 0.000 0.859 135 D CB 0.995 41.794 40.800 -0.002 0.000 1.067 135 D HN 0.082 nan 8.370 nan 0.000 0.484 136 E N 2.549 122.748 120.200 -0.001 0.000 2.209 136 E HA -0.200 4.152 4.350 0.002 0.000 0.196 136 E C 1.616 178.216 176.600 -0.000 0.000 0.993 136 E CA 0.833 57.231 56.400 -0.003 0.000 0.819 136 E CB 0.332 30.031 29.700 -0.001 0.000 0.745 136 E HN 0.452 nan 8.360 nan 0.000 0.477 137 R N -0.121 120.379 120.500 0.000 0.000 2.092 137 R HA -0.045 4.297 4.340 0.002 0.000 0.231 137 R C 2.280 178.579 176.300 -0.000 0.000 1.119 137 R CA 0.987 57.088 56.100 0.003 0.000 0.970 137 R CB -0.061 30.239 30.300 0.001 0.000 0.864 137 R HN 0.168 nan 8.270 nan 0.000 0.440 138 M N 0.097 119.693 119.600 -0.007 0.000 2.175 138 M HA -0.094 4.387 4.480 0.002 0.000 0.264 138 M C 2.319 178.614 176.300 -0.010 0.000 1.063 138 M CA 1.282 56.573 55.300 -0.015 0.000 1.119 138 M CB -0.476 32.112 32.600 -0.019 0.000 1.377 138 M HN -0.015 nan 8.290 nan 0.000 0.415 139 V N 0.679 120.589 119.914 -0.007 0.000 2.261 139 V HA -0.243 3.879 4.120 0.002 0.000 0.246 139 V C 2.738 178.839 176.094 0.012 0.000 1.047 139 V CA 1.957 64.255 62.300 -0.004 0.000 1.015 139 V CB -1.454 30.362 31.823 -0.011 0.000 0.642 139 V HN 0.475 nan 8.190 nan 0.000 0.446 140 A N -0.339 122.490 122.820 0.015 0.000 1.917 140 A HA -0.216 4.105 4.320 0.002 0.000 0.219 140 A C 2.256 179.875 177.584 0.059 0.000 1.182 140 A CA 2.099 54.154 52.037 0.030 0.000 0.633 140 A CB -0.645 18.370 19.000 0.025 0.000 0.819 140 A HN 0.493 nan 8.150 nan 0.000 0.448 141 L N -0.904 120.350 121.223 0.052 0.000 1.989 141 L HA -0.255 4.087 4.340 0.002 0.000 0.211 141 L C 3.157 180.095 176.870 0.113 0.000 1.071 141 L CA 1.363 56.249 54.840 0.077 0.000 0.749 141 L CB -0.553 41.491 42.059 -0.024 0.000 0.890 141 L HN 0.457 nan 8.230 nan 0.000 0.431 142 A N -0.368 122.479 122.820 0.045 0.000 1.908 142 A HA -0.203 4.119 4.320 0.002 0.000 0.218 142 A C 2.466 180.114 177.584 0.108 0.000 1.181 142 A CA 1.851 53.924 52.037 0.060 0.000 0.627 142 A CB -0.770 18.249 19.000 0.031 0.000 0.818 142 A HN 0.455 nan 8.150 nan 0.000 0.445 143 A N -0.340 122.530 122.820 0.082 0.000 1.898 143 A HA -0.142 4.179 4.320 0.002 0.000 0.216 143 A C 2.241 179.873 177.584 0.080 0.000 1.181 143 A CA 1.696 53.773 52.037 0.068 0.000 0.620 143 A CB -0.464 18.559 19.000 0.038 0.000 0.819 143 A HN 0.571 nan 8.150 nan 0.000 0.442 144 R N -1.361 119.203 120.500 0.106 0.000 2.115 144 R HA -0.148 4.193 4.340 0.002 0.000 0.230 144 R C 1.198 177.501 176.300 0.006 0.000 1.111 144 R CA 1.686 57.823 56.100 0.061 0.000 0.976 144 R CB -0.253 30.093 30.300 0.076 0.000 0.870 144 R HN 0.629 nan 8.270 nan 0.000 0.445 145 H N -1.269 117.817 119.070 0.028 0.000 2.551 145 H HA 0.284 4.842 4.556 0.002 0.000 0.271 145 H C 0.615 175.987 175.328 0.073 0.000 0.984 145 H CA 0.570 56.639 56.048 0.035 0.000 1.164 145 H CB 1.050 30.823 29.762 0.017 0.000 1.437 145 H HN 0.464 nan 8.280 nan 0.000 0.550 146 G N 0.935 109.844 108.800 0.182 0.000 2.295 146 G HA2 -0.244 3.718 3.960 0.002 0.000 0.287 146 G HA3 -0.244 3.718 3.960 0.002 0.000 0.287 146 G C -0.356 174.733 174.900 0.314 0.000 1.055 146 G CA 0.514 45.739 45.100 0.207 0.000 0.922 146 G HN 0.268 nan 8.290 nan 0.000 0.503 147 V N -0.079 119.976 119.914 0.235 0.000 2.628 147 V HA 0.844 4.966 4.120 0.002 0.000 0.306 147 V C 0.823 177.028 176.094 0.184 0.000 1.045 147 V CA -0.517 61.908 62.300 0.208 0.000 0.905 147 V CB 1.796 33.679 31.823 0.100 0.000 0.997 147 V HN 1.136 nan 8.190 nan 0.000 0.436 148 A N 3.055 125.999 122.820 0.206 0.000 2.386 148 A HA 0.807 5.128 4.320 0.002 0.000 0.248 148 A C 0.251 177.879 177.584 0.073 0.000 1.082 148 A CA 0.320 52.449 52.037 0.154 0.000 0.789 148 A CB 0.462 19.566 19.000 0.173 0.000 1.025 148 A HN 1.507 nan 8.150 nan 0.000 0.490 149 A N 1.003 123.849 122.820 0.043 0.000 2.386 149 A HA 0.627 4.949 4.320 0.002 0.000 0.311 149 A C -0.704 176.874 177.584 -0.009 0.000 1.068 149 A CA -0.483 51.559 52.037 0.008 0.000 0.743 149 A CB 1.294 20.291 19.000 -0.005 0.000 1.258 149 A HN 1.049 nan 8.150 nan 0.000 0.429 150 V N 2.048 121.950 119.914 -0.020 0.000 2.465 150 V HA 0.345 4.467 4.120 0.002 0.000 0.279 150 V C -0.163 175.905 176.094 -0.044 0.000 1.045 150 V CA -0.374 61.908 62.300 -0.030 0.000 0.938 150 V CB 1.383 33.189 31.823 -0.030 0.000 0.986 150 V HN 0.589 nan 8.190 nan 0.000 0.467 151 V N 6.711 126.592 119.914 -0.054 0.000 2.311 151 V HA 0.398 4.520 4.120 0.002 0.000 0.275 151 V C 0.042 176.132 176.094 -0.006 0.000 1.022 151 V CA -0.190 62.081 62.300 -0.050 0.000 0.830 151 V CB 1.230 32.983 31.823 -0.116 0.000 1.012 151 V HN 0.882 nan 8.190 nan 0.000 0.452 152 M N 4.905 124.504 119.600 -0.000 0.000 2.363 152 M HA 0.478 4.959 4.480 0.002 0.000 0.343 152 M C -0.416 175.922 176.300 0.063 0.000 1.165 152 M CA -0.582 54.702 55.300 -0.027 0.000 1.046 152 M CB 1.256 33.748 32.600 -0.181 0.000 1.648 152 M HN 0.789 nan 8.290 nan 0.000 0.452 153 H N 6.977 126.041 119.070 -0.009 0.000 2.548 153 H HA 0.596 5.153 4.556 0.002 0.000 0.331 153 H C -1.425 173.811 175.328 -0.153 0.000 1.093 153 H CA 0.041 56.062 56.048 -0.045 0.000 1.367 153 H CB 0.932 30.676 29.762 -0.029 0.000 1.455 153 H HN 0.862 nan 8.280 nan 0.000 0.519 154 M N 3.154 122.137 119.600 -1.028 0.000 2.523 154 M HA 0.391 4.873 4.480 0.002 0.000 0.287 154 M C -3.320 172.556 176.300 -0.706 0.000 1.160 154 M CA -1.998 52.971 55.300 -0.552 0.000 0.902 154 M CB 2.200 34.675 32.600 -0.209 0.000 1.752 154 M HN 0.216 nan 8.290 nan 0.000 0.504 155 P HA -0.041 nan 4.420 nan 0.000 0.264 155 P C 1.126 178.285 177.300 -0.235 0.000 1.179 155 P CA -0.084 62.868 63.100 -0.246 0.000 0.763 155 P CB 0.689 32.325 31.700 -0.106 0.000 0.806 156 V N 4.255 124.045 119.914 -0.208 0.000 2.311 156 V HA -0.202 3.920 4.120 0.002 0.000 0.256 156 V C -1.079 174.969 176.094 -0.077 0.000 1.077 156 V CA 1.911 64.132 62.300 -0.131 0.000 1.067 156 V CB -2.142 29.637 31.823 -0.073 0.000 0.659 156 V HN 0.644 nan 8.190 nan 0.000 0.451 165 H N 1.333 120.362 119.070 -0.069 0.000 2.886 165 H HA 0.394 4.952 4.556 0.003 0.000 0.329 165 H C 1.000 176.247 175.328 -0.135 0.000 1.044 165 H CA 1.327 57.326 56.048 -0.083 0.000 1.456 165 H CB 1.277 30.977 29.762 -0.104 0.000 1.464 165 H HN 0.846 nan 8.280 nan 0.000 0.573 166 A N 4.468 127.320 122.820 0.053 0.000 3.078 166 A HA 0.303 4.624 4.320 0.002 0.000 0.279 166 A C 0.376 177.963 177.584 0.006 0.000 1.594 166 A CA -0.312 51.770 52.037 0.076 0.000 1.301 166 A CB -0.637 18.535 19.000 0.287 0.000 1.162 166 A HN 0.629 nan 8.150 nan 0.000 0.585 167 R N 0.883 121.157 120.500 -0.377 0.000 2.502 167 R HA 0.644 4.986 4.340 0.002 0.000 0.300 167 R C -1.967 173.975 176.300 -0.597 0.000 0.984 167 R CA -0.361 55.581 56.100 -0.263 0.000 0.882 167 R CB 0.705 30.917 30.300 -0.147 0.000 1.180 167 R HN 0.466 nan 8.270 nan 0.000 0.444 168 Y N 1.769 122.028 120.300 -0.068 0.000 2.553 168 Y HA 0.411 4.963 4.550 0.002 0.000 0.347 168 Y C 0.956 176.853 175.900 -0.004 0.000 1.019 168 Y CA -1.104 56.956 58.100 -0.067 0.000 1.032 168 Y CB 2.166 40.536 38.460 -0.150 0.000 1.284 168 Y HN 0.437 nan 8.280 nan 0.000 0.466 169 R N 0.171 120.765 120.500 0.156 0.000 2.080 169 R HA 0.027 4.368 4.340 0.002 0.000 0.222 169 R C -0.467 175.897 176.300 0.106 0.000 1.107 169 R CA 1.205 57.366 56.100 0.102 0.000 0.980 169 R CB 0.418 30.759 30.300 0.068 0.000 0.879 169 R HN 0.519 nan 8.270 nan 0.000 0.439 170 D N -0.121 120.345 120.400 0.111 0.000 2.351 170 D HA -0.007 4.635 4.640 0.002 0.000 0.235 170 D C 0.417 176.721 176.300 0.006 0.000 1.331 170 D CA -0.144 53.893 54.000 0.062 0.000 0.959 170 D CB 1.379 42.205 40.800 0.043 0.000 1.432 170 D HN -0.153 nan 8.370 nan 0.000 0.544 171 V N 3.499 123.369 119.914 -0.074 0.000 2.324 171 V HA -0.236 3.885 4.120 0.002 0.000 0.250 171 V C 1.950 177.855 176.094 -0.316 0.000 1.060 171 V CA 2.218 64.272 62.300 -0.409 0.000 1.042 171 V CB 0.002 31.456 31.823 -0.615 0.000 0.650 171 V HN 0.500 nan 8.190 nan 0.000 0.450 172 V N 0.313 120.131 119.914 -0.160 0.000 2.307 172 V HA -0.190 3.931 4.120 0.002 0.000 0.245 172 V C 2.787 178.831 176.094 -0.083 0.000 1.045 172 V CA 2.103 64.334 62.300 -0.116 0.000 1.024 172 V CB -1.284 30.514 31.823 -0.042 0.000 0.651 172 V HN 0.651 nan 8.190 nan 0.000 0.449 173 A N -0.355 122.439 122.820 -0.043 0.000 1.902 173 A HA -0.241 4.081 4.320 0.002 0.000 0.217 173 A C 2.177 179.759 177.584 -0.004 0.000 1.181 173 A CA 1.927 53.958 52.037 -0.010 0.000 0.623 173 A CB -0.451 18.556 19.000 0.012 0.000 0.818 173 A HN 0.637 nan 8.150 nan 0.000 0.443 174 E N -0.522 119.668 120.200 -0.016 0.000 2.072 174 E HA -0.089 4.262 4.350 0.002 0.000 0.191 174 E C 1.969 178.567 176.600 -0.004 0.000 0.985 174 E CA 1.148 57.566 56.400 0.029 0.000 0.801 174 E CB -0.204 29.553 29.700 0.095 0.000 0.750 174 E HN 0.390 nan 8.360 nan 0.000 0.452 175 V N 1.697 121.494 119.914 -0.196 0.000 2.358 175 V HA -0.240 3.882 4.120 0.002 0.000 0.246 175 V C 2.365 178.442 176.094 -0.029 0.000 1.047 175 V CA 1.633 63.758 62.300 -0.291 0.000 1.035 175 V CB -0.365 31.134 31.823 -0.539 0.000 0.658 175 V HN 0.193 nan 8.190 nan 0.000 0.452 176 K N 0.337 120.716 120.400 -0.035 0.000 2.026 176 K HA -0.199 4.122 4.320 0.002 0.000 0.208 176 K C 2.219 178.846 176.600 0.044 0.000 1.048 176 K CA 1.673 57.965 56.287 0.008 0.000 0.929 176 K CB -0.344 32.158 32.500 0.003 0.000 0.713 176 K HN 0.413 nan 8.250 nan 0.000 0.439 177 A N 0.839 123.696 122.820 0.061 0.000 1.883 177 A HA -0.188 4.133 4.320 0.002 0.000 0.217 177 A C 2.025 179.670 177.584 0.102 0.000 1.186 177 A CA 1.540 53.622 52.037 0.075 0.000 0.624 177 A CB -0.872 18.178 19.000 0.084 0.000 0.822 177 A HN 0.536 nan 8.150 nan 0.000 0.444 178 F N 0.597 120.569 119.950 0.035 0.000 2.102 178 F HA -0.141 4.387 4.527 0.002 0.000 0.298 178 F C 1.937 177.755 175.800 0.030 0.000 1.105 178 F CA 1.787 59.825 58.000 0.064 0.000 1.239 178 F CB -0.350 38.759 39.000 0.182 0.000 0.991 178 F HN 0.143 nan 8.300 nan 0.000 0.474 179 L N 0.017 121.255 121.223 0.025 0.000 2.012 179 L HA -0.224 4.118 4.340 0.002 0.000 0.210 179 L C 2.491 179.236 176.870 -0.208 0.000 1.073 179 L CA 1.924 56.692 54.840 -0.119 0.000 0.748 179 L CB -0.822 41.242 42.059 0.008 0.000 0.891 179 L HN 0.184 nan 8.230 nan 0.000 0.431 180 E N 0.358 120.494 120.200 -0.106 0.000 2.051 180 E HA -0.195 4.156 4.350 0.002 0.000 0.192 180 E C 2.118 178.647 176.600 -0.118 0.000 0.991 180 E CA 1.484 57.840 56.400 -0.074 0.000 0.799 180 E CB -0.119 29.587 29.700 0.012 0.000 0.748 180 E HN 0.366 nan 8.360 nan 0.000 0.449 181 A N 0.417 123.154 122.820 -0.138 0.000 1.902 181 A HA -0.204 4.117 4.320 0.002 0.000 0.217 181 A C 2.134 179.585 177.584 -0.222 0.000 1.181 181 A CA 1.598 53.550 52.037 -0.143 0.000 0.623 181 A CB -0.537 18.397 19.000 -0.110 0.000 0.818 181 A HN 0.242 nan 8.150 nan 0.000 0.443 182 Q N -0.545 119.019 119.800 -0.392 0.000 2.119 182 Q HA -0.035 4.307 4.340 0.002 0.000 0.201 182 Q C 2.415 178.252 176.000 -0.271 0.000 0.972 182 Q CA 1.470 57.032 55.803 -0.402 0.000 0.847 182 Q CB -0.745 27.595 28.738 -0.663 0.000 0.903 182 Q HN 0.654 nan 8.270 nan 0.000 0.433 183 A N 1.274 123.919 122.820 -0.290 0.000 1.877 183 A HA -0.210 4.111 4.320 0.002 0.000 0.216 183 A C 2.201 179.695 177.584 -0.150 0.000 1.186 183 A CA 1.673 53.535 52.037 -0.292 0.000 0.620 183 A CB -0.544 18.101 19.000 -0.592 0.000 0.822 183 A HN 0.296 nan 8.150 nan 0.000 0.443 184 R N -0.326 120.114 120.500 -0.101 0.000 2.096 184 R HA -0.141 4.200 4.340 0.002 0.000 0.235 184 R C 2.353 178.626 176.300 -0.046 0.000 1.127 184 R CA 1.639 57.718 56.100 -0.036 0.000 0.968 184 R CB -0.232 30.055 30.300 -0.023 0.000 0.861 184 R HN 0.556 nan 8.270 nan 0.000 0.440 185 R N -0.175 120.281 120.500 -0.074 0.000 2.075 185 R HA -0.059 4.283 4.340 0.002 0.000 0.232 185 R C 2.390 178.660 176.300 -0.050 0.000 1.126 185 R CA 1.375 57.439 56.100 -0.060 0.000 0.963 185 R CB -0.364 29.890 30.300 -0.077 0.000 0.858 185 R HN 0.251 nan 8.270 nan 0.000 0.435 186 A N 1.374 124.154 122.820 -0.066 0.000 1.873 186 A HA -0.097 4.224 4.320 0.002 0.000 0.215 186 A C 2.209 179.778 177.584 -0.025 0.000 1.186 186 A CA 1.088 53.096 52.037 -0.047 0.000 0.616 186 A CB -0.520 18.442 19.000 -0.064 0.000 0.823 186 A HN 0.155 nan 8.150 nan 0.000 0.442 187 L N 0.466 121.677 121.223 -0.021 0.000 2.056 187 L HA -0.163 4.179 4.340 0.002 0.000 0.207 187 L C 2.907 179.773 176.870 -0.005 0.000 1.078 187 L CA 1.597 56.437 54.840 -0.000 0.000 0.749 187 L CB -0.484 41.590 42.059 0.025 0.000 0.901 187 L HN 0.604 nan 8.230 nan 0.000 0.433 188 S N -0.282 115.413 115.700 -0.010 0.000 2.481 188 S HA -0.017 4.454 4.470 0.002 0.000 0.231 188 S C 1.811 176.405 174.600 -0.011 0.000 0.996 188 S CA 0.612 58.806 58.200 -0.010 0.000 0.942 188 S CB -0.117 63.076 63.200 -0.012 0.000 0.768 188 S HN 0.327 nan 8.310 nan 0.000 0.520 189 A N 0.411 123.224 122.820 -0.011 0.000 2.238 189 A HA 0.633 4.954 4.320 0.002 0.000 0.210 189 A C 1.700 179.282 177.584 -0.002 0.000 1.179 189 A CA 0.504 52.536 52.037 -0.007 0.000 0.827 189 A CB -0.590 18.405 19.000 -0.009 0.000 0.856 189 A HN 1.374 nan 8.150 nan 0.000 0.488 190 G N -1.786 107.012 108.800 -0.003 0.000 2.255 190 G HA2 -0.164 3.797 3.960 0.002 0.000 0.196 190 G HA3 -0.164 3.797 3.960 0.002 0.000 0.196 190 G C 0.172 175.076 174.900 0.007 0.000 0.998 190 G CA -0.116 44.984 45.100 -0.001 0.000 0.656 190 G HN 0.660 nan 8.290 nan 0.000 0.490 191 V N 3.655 123.576 119.914 0.012 0.000 2.493 191 V HA 0.149 4.271 4.120 0.002 0.000 0.292 191 V C 0.371 176.478 176.094 0.020 0.000 1.016 191 V CA 0.037 62.353 62.300 0.026 0.000 1.097 191 V CB 1.079 32.914 31.823 0.019 0.000 0.947 191 V HN 0.300 nan 8.190 nan 0.000 0.479 192 P HA -0.169 nan 4.420 nan 0.000 0.215 192 P C 0.339 177.643 177.300 0.007 0.000 1.153 192 P CA 1.231 64.317 63.100 -0.024 0.000 0.853 192 P CB 0.631 32.293 31.700 -0.063 0.000 0.788 193 Q N -1.372 118.472 119.800 0.074 0.000 2.435 193 Q HA 0.489 4.831 4.340 0.002 0.000 0.282 193 Q C -2.111 173.942 176.000 0.087 0.000 1.020 193 Q CA -0.732 55.130 55.803 0.098 0.000 0.820 193 Q CB 2.715 31.538 28.738 0.141 0.000 1.436 193 Q HN -0.259 nan 8.270 nan 0.000 0.395 194 V N 2.256 122.219 119.914 0.082 0.000 2.656 194 V HA 0.535 4.657 4.120 0.002 0.000 0.307 194 V C -0.655 175.449 176.094 0.017 0.000 1.051 194 V CA -0.710 61.593 62.300 0.004 0.000 0.893 194 V CB 1.933 33.684 31.823 -0.119 0.000 0.999 194 V HN 0.620 nan 8.190 nan 0.000 0.426 195 V N 5.776 125.690 119.914 -0.001 0.000 2.435 195 V HA 0.479 4.600 4.120 0.002 0.000 0.290 195 V C -0.148 175.931 176.094 -0.025 0.000 1.030 195 V CA -0.533 61.775 62.300 0.014 0.000 0.881 195 V CB 1.664 33.498 31.823 0.018 0.000 0.983 195 V HN 0.609 nan 8.190 nan 0.000 0.445 196 L N 4.202 125.420 121.223 -0.009 0.000 2.289 196 L HA 0.611 4.953 4.340 0.002 0.000 0.285 196 L C -0.553 176.317 176.870 0.001 0.000 1.049 196 L CA -0.263 54.563 54.840 -0.023 0.000 0.804 196 L CB 1.454 43.504 42.059 -0.016 0.000 1.195 196 L HN 0.578 nan 8.230 nan 0.000 0.428 197 D N 4.286 124.682 120.400 -0.006 0.000 2.620 197 D HA 0.308 4.950 4.640 0.002 0.000 0.252 197 D C -2.137 174.140 176.300 -0.039 0.000 1.207 197 D CA -1.949 52.046 54.000 -0.008 0.000 0.884 197 D CB 2.789 43.578 40.800 -0.018 0.000 1.262 197 D HN 0.099 nan 8.370 nan 0.000 0.552 198 P HA 0.093 nan 4.420 nan 0.000 0.225 198 P C 0.546 177.690 177.300 -0.259 0.000 1.148 198 P CA 0.921 63.851 63.100 -0.285 0.000 0.779 198 P CB 0.187 31.509 31.700 -0.630 0.000 0.780 199 G N -1.162 107.549 108.800 -0.149 0.000 2.298 199 G HA2 -0.274 3.687 3.960 0.002 0.000 0.287 199 G HA3 -0.274 3.687 3.960 0.002 0.000 0.287 199 G C -0.156 174.872 174.900 0.214 0.000 1.075 199 G CA -0.635 44.464 45.100 -0.002 0.000 0.960 199 G HN 0.187 nan 8.290 nan 0.000 0.502 200 F N -0.100 120.013 119.950 0.271 0.000 2.623 200 F HA 0.322 4.851 4.527 0.003 0.000 0.383 200 F C 1.872 177.834 175.800 0.271 0.000 1.077 200 F CA 1.955 60.091 58.000 0.226 0.000 1.268 200 F CB 0.850 39.942 39.000 0.153 0.000 1.053 200 F HN 0.854 nan 8.300 nan 0.000 0.571 201 G N 2.591 111.594 108.800 0.337 0.000 2.241 201 G HA2 -0.316 3.646 3.960 0.002 0.000 0.244 201 G HA3 -0.316 3.646 3.960 0.002 0.000 0.244 201 G C -0.022 174.843 174.900 -0.059 0.000 0.998 201 G CA -0.547 44.610 45.100 0.095 0.000 0.621 201 G HN 0.451 nan 8.290 nan 0.000 0.519 202 F N 1.839 121.855 119.950 0.109 0.000 2.368 202 F HA 0.515 5.043 4.527 0.002 0.000 0.362 202 F C 1.474 177.333 175.800 0.098 0.000 1.137 202 F CA 0.293 58.337 58.000 0.074 0.000 1.161 202 F CB 1.148 40.172 39.000 0.040 0.000 1.265 202 F HN 0.778 nan 8.300 nan 0.000 0.530 203 G N 2.722 111.626 108.800 0.173 0.000 2.273 203 G HA2 -0.295 3.666 3.960 0.002 0.000 0.280 203 G HA3 -0.295 3.666 3.960 0.002 0.000 0.280 203 G C -0.209 174.865 174.900 0.291 0.000 1.047 203 G CA -0.227 44.977 45.100 0.173 0.000 0.869 203 G HN 0.564 nan 8.290 nan 0.000 0.502 204 K N -0.624 119.941 120.400 0.275 0.000 2.513 204 K HA 0.592 4.913 4.320 0.002 0.000 0.251 204 K C 0.350 177.167 176.600 0.362 0.000 0.939 204 K CA -0.929 55.595 56.287 0.395 0.000 0.793 204 K CB 1.991 34.656 32.500 0.275 0.000 1.241 204 K HN 0.132 nan 8.250 nan 0.000 0.431 205 L N 2.623 124.153 121.223 0.510 0.000 2.469 205 L HA 0.239 4.580 4.340 0.002 0.000 0.253 205 L C 1.608 178.483 176.870 0.007 0.000 1.143 205 L CA -0.577 54.332 54.840 0.116 0.000 0.804 205 L CB 0.226 42.252 42.059 -0.054 0.000 1.214 205 L HN 0.571 nan 8.230 nan 0.000 0.476 206 L N 1.059 122.261 121.223 -0.035 0.000 2.021 206 L HA -0.268 4.073 4.340 0.002 0.000 0.215 206 L C 2.554 179.382 176.870 -0.069 0.000 1.074 206 L CA 2.132 56.950 54.840 -0.037 0.000 0.760 206 L CB -0.774 41.256 42.059 -0.049 0.000 0.889 206 L HN 0.804 nan 8.230 nan 0.000 0.433 207 E N -1.808 118.291 120.200 -0.168 0.000 2.118 207 E HA -0.304 4.047 4.350 0.002 0.000 0.195 207 E C 1.944 178.477 176.600 -0.112 0.000 0.992 207 E CA 1.998 58.296 56.400 -0.170 0.000 0.804 207 E CB -0.834 28.726 29.700 -0.234 0.000 0.741 207 E HN 0.737 nan 8.360 nan 0.000 0.458 208 H N 0.805 119.896 119.070 0.035 0.000 2.363 208 H HA 0.043 4.600 4.556 0.002 0.000 0.301 208 H C 2.062 177.407 175.328 0.028 0.000 1.074 208 H CA 1.099 57.142 56.048 -0.008 0.000 1.354 208 H CB 0.004 29.751 29.762 -0.024 0.000 1.397 208 H HN 0.158 nan 8.280 nan 0.000 0.516 209 N N 0.725 119.551 118.700 0.210 0.000 2.166 209 N HA -0.114 4.628 4.740 0.002 0.000 0.186 209 N C 1.908 177.556 175.510 0.230 0.000 1.019 209 N CA 0.780 54.019 53.050 0.314 0.000 0.856 209 N CB -0.071 38.587 38.487 0.285 0.000 0.993 209 N HN 0.321 nan 8.380 nan 0.000 0.426 210 L N 0.869 122.141 121.223 0.082 0.000 2.056 210 L HA -0.099 4.242 4.340 0.002 0.000 0.207 210 L C 2.513 179.415 176.870 0.053 0.000 1.078 210 L CA 1.009 55.857 54.840 0.012 0.000 0.749 210 L CB -0.472 41.567 42.059 -0.034 0.000 0.901 210 L HN 0.103 nan 8.230 nan 0.000 0.433 211 A N 0.076 122.937 122.820 0.067 0.000 1.902 211 A HA -0.189 4.132 4.320 0.002 0.000 0.217 211 A C 2.231 179.873 177.584 0.096 0.000 1.181 211 A CA 1.497 53.574 52.037 0.067 0.000 0.623 211 A CB -0.725 18.306 19.000 0.052 0.000 0.818 211 A HN 0.353 nan 8.150 nan 0.000 0.443 212 L N -0.846 120.453 121.223 0.127 0.000 2.046 212 L HA -0.167 4.175 4.340 0.002 0.000 0.208 212 L C 2.587 179.635 176.870 0.295 0.000 1.077 212 L CA 1.003 55.928 54.840 0.142 0.000 0.747 212 L CB -0.443 41.634 42.059 0.030 0.000 0.896 212 L HN 0.375 nan 8.230 nan 0.000 0.432 213 L N -0.753 120.696 121.223 0.377 0.000 2.027 213 L HA -0.195 4.146 4.340 0.002 0.000 0.206 213 L C 2.767 179.852 176.870 0.357 0.000 1.074 213 L CA 1.278 56.313 54.840 0.325 0.000 0.745 213 L CB -0.378 41.696 42.059 0.024 0.000 0.898 213 L HN 0.163 nan 8.230 nan 0.000 0.433 214 R N -0.280 120.360 120.500 0.233 0.000 2.152 214 R HA -0.086 4.255 4.340 0.002 0.000 0.232 214 R C 1.327 177.765 176.300 0.230 0.000 1.117 214 R CA 0.950 57.214 56.100 0.274 0.000 0.981 214 R CB -0.062 30.325 30.300 0.143 0.000 0.870 214 R HN 0.306 nan 8.270 nan 0.000 0.451 215 R N 0.044 120.649 120.500 0.174 0.000 2.652 215 R HA 0.098 4.439 4.340 0.002 0.000 0.372 215 R C 0.847 177.216 176.300 0.115 0.000 1.104 215 R CA -0.280 55.892 56.100 0.120 0.000 1.072 215 R CB 0.378 30.725 30.300 0.079 0.000 1.367 215 R HN 0.018 nan 8.270 nan 0.000 0.577 216 L N 2.221 123.543 121.223 0.164 0.000 2.187 216 L HA -0.204 4.138 4.340 0.002 0.000 0.213 216 L C 1.816 178.740 176.870 0.090 0.000 1.100 216 L CA 1.922 56.853 54.840 0.152 0.000 0.765 216 L CB -0.278 41.915 42.059 0.224 0.000 0.904 216 L HN 0.296 nan 8.230 nan 0.000 0.437 217 D N -1.164 119.276 120.400 0.067 0.000 2.182 217 D HA -0.270 4.371 4.640 0.002 0.000 0.201 217 D C 1.572 177.897 176.300 0.041 0.000 0.986 217 D CA 1.437 55.462 54.000 0.040 0.000 0.847 217 D CB -0.338 40.478 40.800 0.027 0.000 0.942 217 D HN 0.546 nan 8.370 nan 0.000 0.467 218 E N 0.166 120.393 120.200 0.046 0.000 2.208 218 E HA -0.007 4.345 4.350 0.002 0.000 0.193 218 E C 2.353 178.976 176.600 0.037 0.000 0.988 218 E CA 0.326 56.749 56.400 0.038 0.000 0.828 218 E CB 0.089 29.810 29.700 0.035 0.000 0.763 218 E HN 0.415 nan 8.360 nan 0.000 0.478 219 I N 0.270 120.865 120.570 0.043 0.000 2.584 219 I HA -0.161 4.011 4.170 0.002 0.000 0.255 219 I C 2.106 178.256 176.117 0.055 0.000 1.145 219 I CA 0.436 61.762 61.300 0.043 0.000 1.462 219 I CB 0.098 38.118 38.000 0.034 0.000 1.102 219 I HN -0.031 nan 8.210 nan 0.000 0.433 220 V N 1.280 121.225 119.914 0.051 0.000 2.626 220 V HA -0.191 3.931 4.120 0.002 0.000 0.252 220 V C 2.485 178.600 176.094 0.035 0.000 1.067 220 V CA 1.703 64.030 62.300 0.046 0.000 1.081 220 V CB -0.750 31.095 31.823 0.037 0.000 0.686 220 V HN 0.476 nan 8.190 nan 0.000 0.468 221 A N -0.582 122.256 122.820 0.031 0.000 2.239 221 A HA 0.095 4.417 4.320 0.002 0.000 0.209 221 A C 1.921 179.513 177.584 0.013 0.000 1.171 221 A CA 0.649 52.698 52.037 0.019 0.000 0.768 221 A CB -0.436 18.576 19.000 0.020 0.000 0.790 221 A HN 0.552 nan 8.150 nan 0.000 0.478 222 L N -1.840 119.403 121.223 0.033 0.000 2.554 222 L HA 0.153 4.495 4.340 0.002 0.000 0.226 222 L C 2.001 178.832 176.870 -0.065 0.000 1.137 222 L CA 0.661 55.527 54.840 0.042 0.000 0.863 222 L CB -0.201 41.947 42.059 0.148 0.000 0.985 222 L HN 0.559 nan 8.230 nan 0.000 0.451 223 G N -1.178 107.579 108.800 -0.072 0.000 2.420 223 G HA2 -0.242 3.719 3.960 0.002 0.000 0.221 223 G HA3 -0.242 3.719 3.960 0.002 0.000 0.221 223 G C 0.405 175.209 174.900 -0.159 0.000 1.117 223 G CA -0.156 44.849 45.100 -0.159 0.000 0.657 223 G HN 0.394 nan 8.290 nan 0.000 0.512 224 H N 2.381 121.454 119.070 0.003 0.000 2.757 224 H HA 0.323 4.881 4.556 0.002 0.000 0.370 224 H C -2.170 173.165 175.328 0.012 0.000 1.172 224 H CA -0.400 55.651 56.048 0.006 0.000 1.426 224 H CB 0.058 29.820 29.762 -0.000 0.000 1.438 224 H HN 0.213 nan 8.280 nan 0.000 0.612 225 P HA 0.030 nan 4.420 nan 0.000 0.271 225 P C -0.524 176.824 177.300 0.080 0.000 1.216 225 P CA -0.061 63.090 63.100 0.085 0.000 0.776 225 P CB 0.701 32.446 31.700 0.074 0.000 0.881 226 V N 4.255 124.205 119.914 0.059 0.000 2.513 226 V HA 0.461 4.582 4.120 0.002 0.000 0.299 226 V C -0.111 176.007 176.094 0.040 0.000 1.035 226 V CA -0.563 61.769 62.300 0.053 0.000 0.889 226 V CB 1.570 33.430 31.823 0.061 0.000 0.988 226 V HN 0.359 nan 8.190 nan 0.000 0.440 227 L N 6.622 127.867 121.223 0.038 0.000 2.365 227 L HA 0.921 5.262 4.340 0.002 0.000 0.273 227 L C -0.593 176.318 176.870 0.068 0.000 1.000 227 L CA -0.271 54.585 54.840 0.026 0.000 0.819 227 L CB 2.030 44.093 42.059 0.006 0.000 1.284 227 L HN 0.582 nan 8.230 nan 0.000 0.418 228 V N 0.913 120.873 119.914 0.076 0.000 2.962 228 V HA 1.055 5.176 4.120 0.002 0.000 0.313 228 V C -0.310 175.860 176.094 0.127 0.000 1.099 228 V CA -0.031 62.389 62.300 0.200 0.000 0.971 228 V CB 1.616 33.631 31.823 0.320 0.000 1.028 228 V HN 1.069 nan 8.190 nan 0.000 0.430 229 G N 2.041 111.003 108.800 0.269 0.000 2.738 229 G HA2 0.586 4.548 3.960 0.002 0.000 0.281 229 G HA3 0.586 4.548 3.960 0.002 0.000 0.281 229 G C -0.695 174.408 174.900 0.339 0.000 1.527 229 G CA -0.339 44.907 45.100 0.244 0.000 1.132 229 G HN 0.862 nan 8.290 nan 0.000 0.569 230 L N 1.225 122.696 121.223 0.414 0.000 2.808 230 L HA 0.213 4.554 4.340 0.002 0.000 0.246 230 L C 1.177 178.066 176.870 0.032 0.000 1.153 230 L CA -0.103 54.789 54.840 0.088 0.000 0.956 230 L CB 0.651 42.584 42.059 -0.209 0.000 1.270 230 L HN 0.376 nan 8.230 nan 0.000 0.528 231 S N 1.305 117.120 115.700 0.191 0.000 2.629 231 S HA 0.021 4.493 4.470 0.002 0.000 0.302 231 S C 0.860 175.581 174.600 0.201 0.000 1.244 231 S CA 0.113 58.453 58.200 0.233 0.000 1.098 231 S CB -0.006 63.434 63.200 0.399 0.000 0.858 231 S HN 0.400 nan 8.310 nan 0.000 0.502 232 R N 0.079 120.618 120.500 0.065 0.000 4.000 232 R HA -0.187 4.155 4.340 0.002 0.000 0.348 232 R C -0.168 176.124 176.300 -0.014 0.000 1.204 232 R CA 1.035 57.126 56.100 -0.015 0.000 0.987 232 R CB -1.419 28.814 30.300 -0.110 0.000 1.446 232 R HN 0.550 nan 8.270 nan 0.000 0.555 233 K N 0.912 121.316 120.400 0.007 0.000 2.219 233 K HA 0.066 4.387 4.320 0.002 0.000 0.258 233 K C 1.283 177.865 176.600 -0.029 0.000 1.008 233 K CA -0.405 55.881 56.287 -0.001 0.000 0.928 233 K CB 0.424 32.941 32.500 0.029 0.000 0.983 233 K HN 0.114 nan 8.250 nan 0.000 0.484 234 R N 0.922 121.403 120.500 -0.032 0.000 2.117 234 R HA -0.178 4.163 4.340 0.002 0.000 0.243 234 R C 1.551 177.829 176.300 -0.036 0.000 1.143 234 R CA 2.145 58.224 56.100 -0.035 0.000 0.968 234 R CB -0.261 30.019 30.300 -0.034 0.000 0.863 234 R HN 0.652 nan 8.270 nan 0.000 0.444 235 T N 1.544 116.079 114.554 -0.031 0.000 2.699 235 T HA -0.139 4.212 4.350 0.002 0.000 0.268 235 T C 1.757 176.412 174.700 -0.075 0.000 1.036 235 T CA 1.415 63.487 62.100 -0.047 0.000 1.147 235 T CB -0.084 68.754 68.868 -0.049 0.000 0.862 235 T HN 0.155 nan 8.240 nan 0.000 0.446 236 I N 1.392 121.912 120.570 -0.084 0.000 2.252 236 I HA -0.036 4.135 4.170 0.002 0.000 0.245 236 I C 2.886 178.961 176.117 -0.069 0.000 1.102 236 I CA 1.231 62.474 61.300 -0.095 0.000 1.385 236 I CB -1.880 36.058 38.000 -0.102 0.000 1.064 236 I HN 0.301 nan 8.210 nan 0.000 0.414 237 G N 0.662 109.429 108.800 -0.055 0.000 2.418 237 G HA2 -0.221 3.740 3.960 0.002 0.000 0.217 237 G HA3 -0.221 3.740 3.960 0.002 0.000 0.217 237 G C 1.573 176.447 174.900 -0.043 0.000 1.158 237 G CA 0.467 45.541 45.100 -0.045 0.000 0.771 237 G HN 0.433 nan 8.290 nan 0.000 0.545 238 E N 0.004 120.177 120.200 -0.045 0.000 2.077 238 E HA -0.043 4.308 4.350 0.002 0.000 0.193 238 E C 2.515 179.086 176.600 -0.048 0.000 0.989 238 E CA 0.703 57.078 56.400 -0.042 0.000 0.800 238 E CB -0.168 29.507 29.700 -0.042 0.000 0.746 238 E HN 0.398 nan 8.360 nan 0.000 0.452 239 L N 0.480 121.667 121.223 -0.060 0.000 2.209 239 L HA -0.044 4.297 4.340 0.002 0.000 0.207 239 L C 2.466 179.303 176.870 -0.056 0.000 1.094 239 L CA 0.994 55.794 54.840 -0.066 0.000 0.790 239 L CB -0.154 41.850 42.059 -0.091 0.000 0.932 239 L HN 0.158 nan 8.230 nan 0.000 0.447 240 S N -0.948 114.721 115.700 -0.051 0.000 2.524 240 S HA 0.151 4.622 4.470 0.002 0.000 0.216 240 S C 1.502 176.086 174.600 -0.027 0.000 0.987 240 S CA 0.366 58.544 58.200 -0.037 0.000 0.909 240 S CB 0.469 63.651 63.200 -0.031 0.000 0.781 240 S HN 0.459 nan 8.310 nan 0.000 0.521 241 G N 0.702 109.485 108.800 -0.029 0.000 2.198 241 G HA2 -0.206 3.756 3.960 0.002 0.000 0.257 241 G HA3 -0.206 3.756 3.960 0.002 0.000 0.257 241 G C -0.129 174.760 174.900 -0.019 0.000 1.042 241 G CA 0.122 45.208 45.100 -0.024 0.000 0.791 241 G HN 0.766 nan 8.290 nan 0.000 0.502 242 V N 0.539 120.440 119.914 -0.021 0.000 2.311 242 V HA 0.322 4.443 4.120 0.002 0.000 0.275 242 V C 1.429 177.509 176.094 -0.024 0.000 1.022 242 V CA 0.371 62.660 62.300 -0.018 0.000 0.830 242 V CB 1.431 33.245 31.823 -0.014 0.000 1.012 242 V HN 0.549 nan 8.190 nan 0.000 0.452 243 E N 3.097 123.285 120.200 -0.021 0.000 2.058 243 E HA -0.197 4.155 4.350 0.002 0.000 0.194 243 E C 0.788 177.371 176.600 -0.028 0.000 0.997 243 E CA 1.048 57.434 56.400 -0.023 0.000 0.801 243 E CB 0.239 29.927 29.700 -0.019 0.000 0.746 243 E HN 0.770 nan 8.360 nan 0.000 0.450 244 D N -0.305 120.079 120.400 -0.028 0.000 2.325 244 D HA 0.054 4.695 4.640 0.002 0.000 0.251 244 D C -1.909 174.363 176.300 -0.045 0.000 1.196 244 D CA -2.287 51.693 54.000 -0.034 0.000 0.866 244 D CB 1.489 42.271 40.800 -0.030 0.000 1.101 244 D HN -0.070 nan 8.370 nan 0.000 0.476 245 P HA -0.114 nan 4.420 nan 0.000 0.218 245 P C 0.816 178.060 177.300 -0.092 0.000 1.148 245 P CA 1.259 64.316 63.100 -0.072 0.000 0.822 245 P CB 0.206 31.859 31.700 -0.078 0.000 0.784 246 A N -0.725 122.042 122.820 -0.087 0.000 2.172 246 A HA -0.158 4.163 4.320 0.002 0.000 0.216 246 A C 1.708 179.247 177.584 -0.075 0.000 1.154 246 A CA 1.195 53.176 52.037 -0.094 0.000 0.701 246 A CB -0.842 18.114 19.000 -0.073 0.000 0.789 246 A HN 0.274 nan 8.150 nan 0.000 0.465 247 Q N -1.114 118.649 119.800 -0.061 0.000 2.175 247 Q HA 0.196 4.538 4.340 0.002 0.000 0.225 247 Q C 0.383 176.349 176.000 -0.057 0.000 0.837 247 Q CA -0.186 55.586 55.803 -0.052 0.000 1.032 247 Q CB 0.511 29.233 28.738 -0.026 0.000 1.137 247 Q HN 0.536 nan 8.270 nan 0.000 0.483 248 R N 0.098 120.557 120.500 -0.070 0.000 2.480 248 R HA 0.076 4.418 4.340 0.002 0.000 0.277 248 R C 1.650 177.894 176.300 -0.093 0.000 1.008 248 R CA -0.061 56.000 56.100 -0.066 0.000 1.090 248 R CB 0.299 30.564 30.300 -0.059 0.000 1.234 248 R HN 0.056 nan 8.270 nan 0.000 0.549 249 V N 0.312 120.128 119.914 -0.163 0.000 2.343 249 V HA -0.307 3.814 4.120 0.002 0.000 0.247 249 V C 1.551 177.495 176.094 -0.251 0.000 1.051 249 V CA 2.046 64.219 62.300 -0.212 0.000 1.036 249 V CB -0.124 31.515 31.823 -0.307 0.000 0.654 249 V HN 0.464 nan 8.190 nan 0.000 0.451 250 H N -0.147 118.888 119.070 -0.058 0.000 2.357 250 H HA 0.008 4.565 4.556 0.002 0.000 0.301 250 H C 2.258 177.531 175.328 -0.092 0.000 1.082 250 H CA 1.473 57.477 56.048 -0.073 0.000 1.342 250 H CB -0.540 29.191 29.762 -0.052 0.000 1.389 250 H HN 0.533 nan 8.280 nan 0.000 0.511 251 G N -0.519 108.288 108.800 0.011 0.000 2.421 251 G HA2 -0.208 3.754 3.960 0.002 0.000 0.217 251 G HA3 -0.208 3.754 3.960 0.002 0.000 0.217 251 G C 1.739 176.560 174.900 -0.130 0.000 1.143 251 G CA 0.831 45.897 45.100 -0.056 0.000 0.784 251 G HN 0.295 nan 8.290 nan 0.000 0.541 252 S N 0.071 115.687 115.700 -0.140 0.000 2.355 252 S HA -0.090 4.382 4.470 0.002 0.000 0.222 252 S C 2.494 176.941 174.600 -0.256 0.000 1.031 252 S CA 1.019 59.076 58.200 -0.239 0.000 0.993 252 S CB -0.259 62.887 63.200 -0.091 0.000 0.859 252 S HN 0.162 nan 8.310 nan 0.000 0.453 253 V N 2.167 121.979 119.914 -0.169 0.000 2.332 253 V HA -0.231 3.890 4.120 0.002 0.000 0.248 253 V C 2.653 178.661 176.094 -0.144 0.000 1.055 253 V CA 1.744 63.910 62.300 -0.223 0.000 1.038 253 V CB -1.206 30.435 31.823 -0.303 0.000 0.651 253 V HN 0.538 nan 8.190 nan 0.000 0.450 254 A N -0.056 122.687 122.820 -0.128 0.000 1.883 254 A HA -0.164 4.158 4.320 0.002 0.000 0.217 254 A C 2.436 179.946 177.584 -0.123 0.000 1.186 254 A CA 2.262 54.230 52.037 -0.115 0.000 0.624 254 A CB -0.861 18.090 19.000 -0.080 0.000 0.822 254 A HN 0.588 nan 8.150 nan 0.000 0.444 255 A N -0.914 121.800 122.820 -0.176 0.000 1.902 255 A HA -0.189 4.133 4.320 0.002 0.000 0.217 255 A C 1.937 179.489 177.584 -0.055 0.000 1.181 255 A CA 1.732 53.656 52.037 -0.189 0.000 0.623 255 A CB -0.994 17.811 19.000 -0.326 0.000 0.818 255 A HN 0.772 nan 8.150 nan 0.000 0.443 256 H N -0.706 118.333 119.070 -0.051 0.000 2.389 256 H HA 0.044 4.601 4.556 0.002 0.000 0.299 256 H C 1.931 177.173 175.328 -0.144 0.000 1.081 256 H CA 1.029 57.054 56.048 -0.038 0.000 1.345 256 H CB -0.073 29.744 29.762 0.091 0.000 1.393 256 H HN 0.355 nan 8.280 nan 0.000 0.520 257 L N -0.295 120.836 121.223 -0.154 0.000 2.093 257 L HA -0.174 4.168 4.340 0.002 0.000 0.208 257 L C 2.210 178.772 176.870 -0.513 0.000 1.085 257 L CA 0.814 55.300 54.840 -0.588 0.000 0.755 257 L CB -0.316 41.192 42.059 -0.918 0.000 0.904 257 L HN 0.272 nan 8.230 nan 0.000 0.435 258 F N 0.901 120.640 119.950 -0.352 0.000 2.134 258 F HA -0.210 4.319 4.527 0.002 0.000 0.299 258 F C 2.451 178.170 175.800 -0.135 0.000 1.097 258 F CA 1.282 59.158 58.000 -0.206 0.000 1.264 258 F CB -0.146 38.774 39.000 -0.133 0.000 1.001 258 F HN -0.008 nan 8.300 nan 0.000 0.479 259 A N -0.317 122.563 122.820 0.099 0.000 1.933 259 A HA -0.125 4.196 4.320 0.002 0.000 0.218 259 A C 2.278 179.820 177.584 -0.070 0.000 1.175 259 A CA 1.862 53.937 52.037 0.063 0.000 0.628 259 A CB -1.345 17.729 19.000 0.123 0.000 0.814 259 A HN 0.269 nan 8.150 nan 0.000 0.444 260 V N -0.252 119.579 119.914 -0.138 0.000 2.343 260 V HA -0.300 3.822 4.120 0.002 0.000 0.247 260 V C 2.564 178.536 176.094 -0.203 0.000 1.051 260 V CA 2.193 64.401 62.300 -0.153 0.000 1.036 260 V CB -0.643 31.062 31.823 -0.197 0.000 0.654 260 V HN 0.722 nan 8.190 nan 0.000 0.451 261 M N -0.567 118.850 119.600 -0.306 0.000 2.213 261 M HA -0.157 4.325 4.480 0.002 0.000 0.263 261 M C 1.914 178.034 176.300 -0.301 0.000 1.062 261 M CA 1.632 56.695 55.300 -0.394 0.000 1.105 261 M CB -0.133 32.278 32.600 -0.316 0.000 1.385 261 M HN 0.113 nan 8.290 nan 0.000 0.417 262 K N -0.081 120.154 120.400 -0.275 0.000 2.525 262 K HA 0.123 4.444 4.320 0.002 0.000 0.192 262 K C 1.190 177.749 176.600 -0.068 0.000 1.029 262 K CA 1.011 57.198 56.287 -0.165 0.000 1.029 262 K CB 0.124 32.548 32.500 -0.126 0.000 0.814 262 K HN 0.652 nan 8.250 nan 0.000 0.503 263 G N 0.408 109.165 108.800 -0.070 0.000 2.192 263 G HA2 -0.208 3.754 3.960 0.002 0.000 0.193 263 G HA3 -0.208 3.754 3.960 0.002 0.000 0.193 263 G C 0.081 174.977 174.900 -0.007 0.000 0.999 263 G CA -0.107 44.978 45.100 -0.024 0.000 0.659 263 G HN 0.073 nan 8.290 nan 0.000 0.503 264 V N 1.789 121.698 119.914 -0.009 0.000 2.614 264 V HA 0.465 4.586 4.120 0.002 0.000 0.291 264 V C 1.257 177.346 176.094 -0.009 0.000 1.049 264 V CA 0.050 62.354 62.300 0.007 0.000 1.038 264 V CB 1.425 33.264 31.823 0.026 0.000 0.980 264 V HN 0.302 nan 8.190 nan 0.000 0.481 265 R N 3.720 124.219 120.500 -0.002 0.000 2.565 265 R HA 0.422 4.763 4.340 0.002 0.000 0.347 265 R C -0.813 175.475 176.300 -0.021 0.000 1.010 265 R CA 0.008 56.104 56.100 -0.006 0.000 1.126 265 R CB 0.438 30.743 30.300 0.008 0.000 1.331 265 R HN 0.525 nan 8.270 nan 0.000 0.552 266 L N 1.707 122.911 121.223 -0.032 0.000 2.406 266 L HA 0.541 4.882 4.340 0.002 0.000 0.272 266 L C -0.893 175.918 176.870 -0.098 0.000 0.980 266 L CA -0.516 54.292 54.840 -0.053 0.000 0.831 266 L CB 2.083 44.125 42.059 -0.028 0.000 1.253 266 L HN -0.199 nan 8.230 nan 0.000 0.406 267 L N 3.567 124.692 121.223 -0.164 0.000 2.385 267 L HA 0.586 4.928 4.340 0.002 0.000 0.273 267 L C -0.270 176.426 176.870 -0.290 0.000 0.990 267 L CA -0.598 54.059 54.840 -0.305 0.000 0.821 267 L CB 2.408 44.179 42.059 -0.480 0.000 1.279 267 L HN 0.548 nan 8.230 nan 0.000 0.412 268 R N 3.259 123.602 120.500 -0.262 0.000 2.207 268 R HA 0.637 4.979 4.340 0.002 0.000 0.334 268 R C -0.990 175.156 176.300 -0.257 0.000 1.013 268 R CA -0.395 55.585 56.100 -0.200 0.000 0.858 268 R CB 1.074 31.313 30.300 -0.102 0.000 1.094 268 R HN 0.558 nan 8.270 nan 0.000 0.457 269 V N 1.099 120.833 119.914 -0.300 0.000 3.040 269 V HA 0.439 4.561 4.120 0.002 0.000 0.312 269 V C -0.256 175.683 176.094 -0.258 0.000 1.115 269 V CA -0.633 61.489 62.300 -0.298 0.000 0.998 269 V CB 2.072 33.550 31.823 -0.575 0.000 1.042 269 V HN 0.882 nan 8.190 nan 0.000 0.433 270 H N -0.205 118.857 119.070 -0.014 0.000 2.361 270 H HA 0.284 4.841 4.556 0.002 0.000 0.308 270 H C 0.512 175.858 175.328 0.029 0.000 1.053 270 H CA 1.240 57.295 56.048 0.012 0.000 1.377 270 H CB 0.437 30.215 29.762 0.026 0.000 1.434 270 H HN 0.751 nan 8.280 nan 0.000 0.548 271 D N 1.172 121.699 120.400 0.212 0.000 2.468 271 D HA 0.036 4.678 4.640 0.002 0.000 0.218 271 D C 1.063 177.489 176.300 0.210 0.000 1.155 271 D CA 0.018 54.124 54.000 0.177 0.000 0.924 271 D CB 0.881 41.775 40.800 0.156 0.000 1.029 271 D HN 0.026 nan 8.370 nan 0.000 0.515 272 V N 4.569 124.548 119.914 0.107 0.000 2.261 272 V HA -0.221 3.901 4.120 0.002 0.000 0.246 272 V C 2.639 178.799 176.094 0.111 0.000 1.047 272 V CA 1.662 64.011 62.300 0.081 0.000 1.015 272 V CB -0.474 31.367 31.823 0.029 0.000 0.642 272 V HN 0.512 nan 8.190 nan 0.000 0.446 273 R N 0.455 121.004 120.500 0.082 0.000 2.083 273 R HA -0.198 4.143 4.340 0.002 0.000 0.237 273 R C 2.297 178.638 176.300 0.069 0.000 1.137 273 R CA 1.856 57.995 56.100 0.065 0.000 0.951 273 R CB -0.562 29.765 30.300 0.045 0.000 0.851 273 R HN 0.474 nan 8.270 nan 0.000 0.434 274 A N 0.079 122.940 122.820 0.068 0.000 1.908 274 A HA -0.214 4.108 4.320 0.002 0.000 0.218 274 A C 1.833 179.400 177.584 -0.028 0.000 1.181 274 A CA 1.927 53.969 52.037 0.007 0.000 0.627 274 A CB -0.813 18.162 19.000 -0.041 0.000 0.818 274 A HN 0.562 nan 8.150 nan 0.000 0.445 275 H N -1.121 117.968 119.070 0.032 0.000 2.395 275 H HA 0.041 4.598 4.556 0.002 0.000 0.299 275 H C 2.354 177.701 175.328 0.033 0.000 1.070 275 H CA 1.349 57.418 56.048 0.034 0.000 1.356 275 H CB 0.048 29.826 29.762 0.027 0.000 1.401 275 H HN 0.241 nan 8.280 nan 0.000 0.524 276 R N 0.820 121.402 120.500 0.137 0.000 2.092 276 R HA -0.100 4.241 4.340 0.002 0.000 0.231 276 R C 1.918 178.263 176.300 0.074 0.000 1.119 276 R CA 1.214 57.367 56.100 0.090 0.000 0.970 276 R CB -0.159 30.180 30.300 0.066 0.000 0.864 276 R HN 0.579 nan 8.270 nan 0.000 0.440 277 E N 0.204 120.440 120.200 0.061 0.000 2.047 277 E HA -0.113 4.239 4.350 0.002 0.000 0.191 277 E C 2.011 178.651 176.600 0.065 0.000 0.987 277 E CA 1.174 57.607 56.400 0.055 0.000 0.799 277 E CB -0.111 29.615 29.700 0.043 0.000 0.752 277 E HN 0.291 nan 8.360 nan 0.000 0.449 278 A N 1.156 124.006 122.820 0.049 0.000 1.902 278 A HA -0.147 4.174 4.320 0.002 0.000 0.217 278 A C 2.183 179.849 177.584 0.136 0.000 1.181 278 A CA 1.051 53.128 52.037 0.067 0.000 0.623 278 A CB -0.608 18.381 19.000 -0.019 0.000 0.818 278 A HN 0.131 nan 8.150 nan 0.000 0.443 279 L N -0.684 120.613 121.223 0.123 0.000 2.141 279 L HA -0.086 4.255 4.340 0.002 0.000 0.209 279 L C 2.770 179.741 176.870 0.169 0.000 1.094 279 L CA 0.791 55.733 54.840 0.169 0.000 0.763 279 L CB -0.653 41.481 42.059 0.126 0.000 0.908 279 L HN 0.496 nan 8.230 nan 0.000 0.437 280 G N -0.406 108.466 108.800 0.120 0.000 2.440 280 G HA2 -0.199 3.762 3.960 0.002 0.000 0.218 280 G HA3 -0.199 3.762 3.960 0.002 0.000 0.218 280 G C 1.554 176.516 174.900 0.103 0.000 1.154 280 G CA 1.014 46.171 45.100 0.095 0.000 0.767 280 G HN 0.196 nan 8.290 nan 0.000 0.552 281 V N -0.339 119.651 119.914 0.127 0.000 2.302 281 V HA -0.061 4.061 4.120 0.002 0.000 0.243 281 V C 2.283 178.470 176.094 0.154 0.000 1.036 281 V CA 1.429 63.803 62.300 0.122 0.000 1.020 281 V CB -0.631 31.271 31.823 0.132 0.000 0.657 281 V HN 0.605 nan 8.190 nan 0.000 0.453 282 W N 1.430 122.759 121.300 0.049 0.000 2.335 282 W HA -0.199 4.462 4.660 0.002 0.000 0.311 282 W C 2.276 178.845 176.519 0.083 0.000 1.213 282 W CA 2.204 59.589 57.345 0.066 0.000 1.274 282 W CB -0.135 29.355 29.460 0.050 0.000 1.148 282 W HN 0.391 nan 8.180 nan 0.000 0.498 283 E N -0.162 120.185 120.200 0.245 0.000 2.338 283 E HA -0.114 4.238 4.350 0.002 0.000 0.197 283 E C 2.151 178.781 176.600 0.050 0.000 1.007 283 E CA 0.836 57.326 56.400 0.150 0.000 0.849 283 E CB -0.211 29.584 29.700 0.158 0.000 0.774 283 E HN 0.222 nan 8.360 nan 0.000 0.506 284 A N 0.494 123.329 122.820 0.025 0.000 2.072 284 A HA 0.028 4.350 4.320 0.002 0.000 0.216 284 A C 1.984 179.533 177.584 -0.059 0.000 1.156 284 A CA 0.453 52.487 52.037 -0.006 0.000 0.701 284 A CB -0.015 18.989 19.000 0.006 0.000 0.816 284 A HN 0.097 nan 8.150 nan 0.000 0.458 285 L N -2.723 118.426 121.223 -0.124 0.000 2.286 285 L HA 0.181 4.523 4.340 0.002 0.000 0.203 285 L C 1.444 178.156 176.870 -0.264 0.000 1.068 285 L CA 0.139 54.856 54.840 -0.204 0.000 0.811 285 L CB -0.490 41.406 42.059 -0.272 0.000 0.989 285 L HN 0.417 nan 8.230 nan 0.000 0.467 286 Y N 0.000 120.016 120.300 -0.473 0.000 2.660 286 Y HA 0.000 4.551 4.550 0.002 0.000 0.201 286 Y CA 0.000 57.864 58.100 -0.393 0.000 1.940 286 Y CB 0.000 38.138 38.460 -0.537 0.000 1.050 286 Y HN 0.000 nan 8.280 nan 0.000 0.758