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 2c13_1_A DATA FIRST_RESID 3 DATA SEQUENCE FTPANRAYPY TRLRRNRRDD FSRRLVRENV LTVDDLILPV FVLDGVNQRE DATA SEQUENCE SIPSMPGVER LSIDQLLIEA EEWVALGIPA LALFPVTPVE KKSLDAAEAY DATA SEQUENCE NPEGIAQRAT RALRERFPEL GIITDVALDP FTTHGQDGIL DDDGYVLNDV DATA SEQUENCE SIDVLVRQAL SHAEAGAQVV APSDMMDGRI GAIREALESA GHTNVRVMAY DATA SEQUENCE SAXYASAYYG PFRDAVGSAS NLGKGNKATY QMDPANSDEA LHEVAADLAE DATA SEQUENCE GADMVMVXPG MPYLDIVRRV KDEFRAPTFV YQVSGEYAMH MGAIQNGWLA DATA SEQUENCE ESVILESLTA FKRAGADGIL TYFAKQAAEQ LRRG 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 3 F HA 0.000 nan 4.527 nan 0.000 0.279 3 F C 0.000 175.800 175.800 -0.000 0.000 0.967 3 F CA 0.000 57.999 58.000 -0.002 0.000 1.383 3 F CB 0.000 38.999 39.000 -0.002 0.000 1.145 4 T N 6.143 120.217 114.554 -0.801 0.000 2.801 4 T HA 0.336 4.686 4.350 -0.000 0.000 0.306 4 T C -2.104 171.955 174.700 -1.068 0.000 1.020 4 T CA -1.037 60.643 62.100 -0.701 0.000 0.948 4 T CB 1.261 69.918 68.868 -0.352 0.000 0.962 4 T HN 0.446 nan 8.240 nan 0.000 0.465 5 P HA 0.108 nan 4.420 nan 0.000 0.226 5 P C 0.882 178.059 177.300 -0.206 0.000 1.153 5 P CA 0.447 63.296 63.100 -0.417 0.000 0.777 5 P CB -0.011 31.665 31.700 -0.041 0.000 0.794 6 A N -0.649 122.049 122.820 -0.203 0.000 2.799 6 A HA -0.287 4.033 4.320 -0.000 0.000 0.287 6 A C 0.712 178.264 177.584 -0.053 0.000 1.484 6 A CA 0.983 52.952 52.037 -0.114 0.000 0.813 6 A CB -2.760 16.176 19.000 -0.106 0.000 1.009 6 A HN 0.317 nan 8.150 nan 0.000 0.545 7 N N -2.287 116.393 118.700 -0.034 0.000 2.782 7 N HA -0.175 4.565 4.740 -0.000 0.000 0.251 7 N C -0.055 175.475 175.510 0.033 0.000 1.101 7 N CA 1.713 54.765 53.050 0.002 0.000 0.764 7 N CB -1.177 37.305 38.487 -0.008 0.000 1.122 7 N HN 0.941 nan 8.380 nan 0.000 0.561 8 R N 0.488 121.014 120.500 0.042 0.000 2.449 8 R HA 0.483 4.823 4.340 -0.000 0.000 0.296 8 R C 0.358 176.723 176.300 0.110 0.000 1.047 8 R CA 0.654 56.800 56.100 0.076 0.000 1.018 8 R CB 0.711 31.056 30.300 0.076 0.000 0.962 8 R HN 0.253 nan 8.270 nan 0.000 0.428 9 A N 3.244 126.155 122.820 0.152 0.000 2.427 9 A HA 0.229 4.549 4.320 -0.000 0.000 0.298 9 A C -1.395 176.288 177.584 0.165 0.000 1.036 9 A CA -0.763 51.377 52.037 0.172 0.000 0.701 9 A CB 0.835 19.949 19.000 0.190 0.000 1.250 9 A HN 0.736 nan 8.150 nan 0.000 0.412 10 Y N 4.703 125.005 120.300 0.004 0.000 2.597 10 Y HA 0.343 4.893 4.550 -0.000 0.000 0.336 10 Y C -1.116 174.662 175.900 -0.203 0.000 1.216 10 Y CA -0.362 57.693 58.100 -0.075 0.000 1.463 10 Y CB 0.928 39.355 38.460 -0.056 0.000 1.303 10 Y HN 0.541 nan 8.280 nan 0.000 0.576 11 P HA 0.001 nan 4.420 nan 0.000 0.261 11 P C 0.413 177.354 177.300 -0.598 0.000 1.268 11 P CA 0.625 63.006 63.100 -1.198 0.000 0.833 11 P CB 0.113 31.038 31.700 -1.292 0.000 1.231 12 Y N 1.033 121.228 120.300 -0.176 0.000 2.181 12 Y HA -0.061 4.489 4.550 -0.000 0.000 0.288 12 Y C 1.279 177.149 175.900 -0.050 0.000 1.146 12 Y CA 0.991 59.038 58.100 -0.089 0.000 1.164 12 Y CB -1.741 36.687 38.460 -0.053 0.000 0.982 12 Y HN -0.143 nan 8.280 nan 0.000 0.515 13 T N 3.118 117.734 114.554 0.104 0.000 2.733 13 T HA 0.453 4.803 4.350 -0.000 0.000 0.294 13 T C -0.145 174.603 174.700 0.080 0.000 0.956 13 T CA -0.642 61.510 62.100 0.085 0.000 0.987 13 T CB 0.387 69.318 68.868 0.105 0.000 0.920 13 T HN 0.080 nan 8.240 nan 0.000 0.470 14 R N 3.269 123.806 120.500 0.062 0.000 2.371 14 R HA 0.337 4.677 4.340 -0.000 0.000 0.312 14 R C 0.829 177.165 176.300 0.060 0.000 0.980 14 R CA -0.475 55.678 56.100 0.089 0.000 0.867 14 R CB 0.910 31.244 30.300 0.057 0.000 1.163 14 R HN 0.580 nan 8.270 nan 0.000 0.492 15 L N 1.943 123.203 121.223 0.061 0.000 2.456 15 L HA -0.070 4.270 4.340 -0.000 0.000 0.224 15 L C 1.884 178.761 176.870 0.012 0.000 1.148 15 L CA 1.125 55.984 54.840 0.032 0.000 0.825 15 L CB -0.228 41.848 42.059 0.028 0.000 0.937 15 L HN 0.409 nan 8.230 nan 0.000 0.450 16 R N -0.145 120.365 120.500 0.018 0.000 2.280 16 R HA -0.042 4.298 4.340 -0.000 0.000 0.207 16 R C 2.207 178.501 176.300 -0.011 0.000 1.043 16 R CA 0.405 56.506 56.100 0.001 0.000 1.006 16 R CB -0.129 30.177 30.300 0.010 0.000 0.885 16 R HN 0.409 nan 8.270 nan 0.000 0.467 17 R N 0.598 121.095 120.500 -0.005 0.000 2.073 17 R HA -0.067 4.273 4.340 -0.000 0.000 0.234 17 R C 1.649 177.916 176.300 -0.054 0.000 1.134 17 R CA 1.279 57.370 56.100 -0.015 0.000 0.952 17 R CB -0.308 29.992 30.300 0.000 0.000 0.850 17 R HN 0.214 nan 8.270 nan 0.000 0.433 18 N N 0.927 119.591 118.700 -0.061 0.000 2.289 18 N HA -0.118 4.622 4.740 -0.000 0.000 0.184 18 N C 1.409 176.838 175.510 -0.136 0.000 1.016 18 N CA 1.029 54.010 53.050 -0.114 0.000 0.872 18 N CB -0.122 38.315 38.487 -0.083 0.000 0.973 18 N HN 0.273 nan 8.380 nan 0.000 0.433 19 R N 0.326 120.774 120.500 -0.086 0.000 2.323 19 R HA 0.098 4.438 4.340 -0.000 0.000 0.198 19 R C 1.716 177.968 176.300 -0.081 0.000 0.988 19 R CA 0.047 56.099 56.100 -0.080 0.000 1.041 19 R CB 0.099 30.370 30.300 -0.049 0.000 0.926 19 R HN 0.017 nan 8.270 nan 0.000 0.476 20 R N 1.344 121.791 120.500 -0.089 0.000 2.081 20 R HA -0.033 4.307 4.340 -0.000 0.000 0.235 20 R C -0.168 176.101 176.300 -0.053 0.000 1.131 20 R CA 1.455 57.524 56.100 -0.052 0.000 0.960 20 R CB 0.096 30.379 30.300 -0.028 0.000 0.856 20 R HN 0.076 nan 8.270 nan 0.000 0.436 21 D N -1.504 118.820 120.400 -0.125 0.000 2.601 21 D HA 0.058 4.698 4.640 -0.000 0.000 0.230 21 D C -0.327 175.879 176.300 -0.155 0.000 1.106 21 D CA -0.424 53.526 54.000 -0.083 0.000 0.873 21 D CB 1.724 42.539 40.800 0.024 0.000 1.515 21 D HN -0.063 nan 8.370 nan 0.000 0.468 22 D N 0.457 120.842 120.400 -0.026 0.000 2.149 22 D HA -0.204 4.436 4.640 -0.000 0.000 0.198 22 D C 1.921 178.207 176.300 -0.024 0.000 0.990 22 D CA 1.441 55.433 54.000 -0.014 0.000 0.839 22 D CB -0.044 40.780 40.800 0.041 0.000 0.948 22 D HN 0.454 nan 8.370 nan 0.000 0.460 23 F N 0.753 120.704 119.950 0.002 0.000 2.134 23 F HA -0.096 4.431 4.527 -0.000 0.000 0.299 23 F C 2.360 178.161 175.800 0.003 0.000 1.097 23 F CA 1.660 59.661 58.000 0.002 0.000 1.264 23 F CB -1.224 37.777 39.000 0.003 0.000 1.001 23 F HN 0.002 nan 8.300 nan 0.000 0.479 24 S N 0.785 115.680 115.700 -1.342 0.000 2.383 24 S HA -0.113 4.357 4.470 -0.000 0.000 0.227 24 S C 2.012 176.408 174.600 -0.340 0.000 1.026 24 S CA 0.814 58.508 58.200 -0.844 0.000 0.981 24 S CB -0.807 61.850 63.200 -0.904 0.000 0.818 24 S HN 0.509 nan 8.310 nan 0.000 0.472 25 R N 1.240 121.576 120.500 -0.274 0.000 2.096 25 R HA 0.057 4.397 4.340 -0.000 0.000 0.235 25 R C 2.757 179.005 176.300 -0.086 0.000 1.127 25 R CA 1.466 57.481 56.100 -0.141 0.000 0.968 25 R CB -0.276 29.960 30.300 -0.107 0.000 0.861 25 R HN 0.457 nan 8.270 nan 0.000 0.440 26 R N 0.451 120.910 120.500 -0.068 0.000 2.075 26 R HA -0.060 4.280 4.340 -0.000 0.000 0.232 26 R C 2.371 178.667 176.300 -0.007 0.000 1.126 26 R CA 1.078 57.168 56.100 -0.017 0.000 0.963 26 R CB -0.351 29.962 30.300 0.021 0.000 0.858 26 R HN 0.181 nan 8.270 nan 0.000 0.435 27 L N 0.480 121.699 121.223 -0.008 0.000 2.042 27 L HA -0.160 4.179 4.340 -0.000 0.000 0.210 27 L C 2.298 179.166 176.870 -0.004 0.000 1.076 27 L CA 1.256 56.104 54.840 0.014 0.000 0.749 27 L CB -0.379 41.704 42.059 0.040 0.000 0.893 27 L HN 0.189 nan 8.230 nan 0.000 0.432 28 V N -2.909 116.988 119.914 -0.030 0.000 3.608 28 V HA 0.073 4.193 4.120 -0.000 0.000 0.269 28 V C 1.327 177.409 176.094 -0.020 0.000 1.245 28 V CA -0.295 61.991 62.300 -0.022 0.000 1.138 28 V CB -0.611 31.192 31.823 -0.033 0.000 0.841 28 V HN 0.288 nan 8.190 nan 0.000 0.451 29 R N 1.582 122.068 120.500 -0.024 0.000 2.486 29 R HA -0.021 4.319 4.340 -0.000 0.000 0.303 29 R C 0.959 177.250 176.300 -0.015 0.000 0.958 29 R CA 0.683 56.769 56.100 -0.023 0.000 1.077 29 R CB 0.254 30.540 30.300 -0.022 0.000 0.921 29 R HN 0.607 nan 8.270 nan 0.000 0.406 30 E N 2.661 122.851 120.200 -0.016 0.000 2.285 30 E HA -0.015 4.335 4.350 -0.000 0.000 0.194 30 E C -0.092 176.501 176.600 -0.011 0.000 0.997 30 E CA 0.592 56.985 56.400 -0.011 0.000 0.845 30 E CB 0.202 29.895 29.700 -0.013 0.000 0.782 30 E HN 0.586 nan 8.360 nan 0.000 0.491 31 N N -0.128 118.563 118.700 -0.015 0.000 2.396 31 N HA 0.330 5.069 4.740 -0.000 0.000 0.275 31 N C -1.846 173.655 175.510 -0.015 0.000 1.218 31 N CA -0.394 52.647 53.050 -0.015 0.000 0.812 31 N CB 3.133 41.609 38.487 -0.018 0.000 1.592 31 N HN -0.133 nan 8.380 nan 0.000 0.480 32 V N 1.883 121.789 119.914 -0.013 0.000 2.697 32 V HA 0.335 4.455 4.120 -0.000 0.000 0.300 32 V C -1.158 174.930 176.094 -0.010 0.000 1.115 32 V CA -0.735 61.559 62.300 -0.012 0.000 0.912 32 V CB 1.679 33.497 31.823 -0.008 0.000 1.024 32 V HN 0.596 nan 8.190 nan 0.000 0.431 33 L N 6.958 128.176 121.223 -0.008 0.000 2.453 33 L HA 0.679 5.019 4.340 -0.000 0.000 0.272 33 L C 0.579 177.447 176.870 -0.004 0.000 1.182 33 L CA 1.729 56.567 54.840 -0.003 0.000 0.858 33 L CB 1.222 43.282 42.059 0.002 0.000 1.120 33 L HN 1.041 nan 8.230 nan 0.000 0.474 34 T N 0.877 115.428 114.554 -0.006 0.000 2.864 34 T HA 0.265 4.615 4.350 -0.000 0.000 0.289 34 T C 0.627 175.324 174.700 -0.005 0.000 1.082 34 T CA -0.166 61.931 62.100 -0.004 0.000 1.009 34 T CB 1.106 69.972 68.868 -0.004 0.000 1.234 34 T HN 0.323 nan 8.240 nan 0.000 0.526 35 V N 0.717 120.631 119.914 -0.001 0.000 2.913 35 V HA -0.034 4.086 4.120 -0.000 0.000 0.260 35 V C 1.531 177.620 176.094 -0.009 0.000 1.098 35 V CA 1.936 64.234 62.300 -0.002 0.000 1.121 35 V CB -0.982 30.844 31.823 0.006 0.000 0.714 35 V HN 0.874 nan 8.190 nan 0.000 0.487 36 D N 0.295 120.690 120.400 -0.008 0.000 2.378 36 D HA -0.073 4.567 4.640 -0.000 0.000 0.222 36 D C 1.326 177.615 176.300 -0.019 0.000 0.980 36 D CA 0.898 54.893 54.000 -0.008 0.000 0.907 36 D CB -0.099 40.697 40.800 -0.006 0.000 0.899 36 D HN 0.554 nan 8.370 nan 0.000 0.527 37 D N -0.310 120.071 120.400 -0.032 0.000 2.349 37 D HA 0.074 4.714 4.640 -0.000 0.000 0.214 37 D C 0.440 176.705 176.300 -0.059 0.000 1.063 37 D CA 0.026 53.991 54.000 -0.058 0.000 0.847 37 D CB 0.914 41.681 40.800 -0.054 0.000 0.933 37 D HN 0.212 nan 8.370 nan 0.000 0.513 38 L N 1.275 122.470 121.223 -0.046 0.000 2.296 38 L HA 0.478 4.818 4.340 -0.000 0.000 0.286 38 L C -0.171 176.638 176.870 -0.102 0.000 1.023 38 L CA -0.557 54.239 54.840 -0.072 0.000 0.812 38 L CB 1.938 43.963 42.059 -0.057 0.000 1.223 38 L HN -0.325 nan 8.230 nan 0.000 0.421 39 I N 4.144 124.618 120.570 -0.160 0.000 2.436 39 I HA 0.268 4.438 4.170 -0.000 0.000 0.289 39 I C -0.711 175.214 176.117 -0.319 0.000 1.010 39 I CA -0.669 60.502 61.300 -0.216 0.000 1.098 39 I CB 2.318 40.192 38.000 -0.211 0.000 1.266 39 I HN 0.352 nan 8.210 nan 0.000 0.434 40 L N 10.011 131.022 121.223 -0.354 0.000 2.261 40 L HA 0.559 4.899 4.340 -0.000 0.000 0.289 40 L C -2.475 174.118 176.870 -0.462 0.000 1.059 40 L CA -1.777 52.781 54.840 -0.471 0.000 0.816 40 L CB 0.409 42.076 42.059 -0.653 0.000 1.191 40 L HN 0.247 nan 8.230 nan 0.000 0.431 41 P HA 0.297 nan 4.420 nan 0.000 0.278 41 P C -1.456 175.647 177.300 -0.328 0.000 1.238 41 P CA -0.275 62.654 63.100 -0.285 0.000 0.794 41 P CB 1.547 33.083 31.700 -0.273 0.000 0.955 42 V N 3.860 123.626 119.914 -0.247 0.000 2.733 42 V HA 0.540 4.660 4.120 -0.000 0.000 0.306 42 V C -1.677 174.312 176.094 -0.175 0.000 1.084 42 V CA -0.869 61.283 62.300 -0.247 0.000 0.905 42 V CB 0.962 32.696 31.823 -0.149 0.000 1.010 42 V HN 0.182 nan 8.190 nan 0.000 0.424 43 F N 5.634 125.681 119.950 0.161 0.000 2.420 43 F HA 0.620 5.147 4.527 -0.000 0.000 0.352 43 F C 0.384 176.234 175.800 0.083 0.000 1.108 43 F CA -0.491 57.575 58.000 0.109 0.000 1.162 43 F CB 1.556 40.563 39.000 0.012 0.000 1.118 43 F HN 0.317 nan 8.300 nan 0.000 0.510 44 V N 5.548 125.601 119.914 0.231 0.000 2.357 44 V HA 0.384 4.504 4.120 -0.000 0.000 0.284 44 V C 0.043 176.203 176.094 0.110 0.000 1.018 44 V CA -0.820 61.567 62.300 0.145 0.000 0.841 44 V CB 1.267 33.152 31.823 0.103 0.000 0.991 44 V HN 0.577 nan 8.190 nan 0.000 0.437 45 L N 2.831 124.107 121.223 0.089 0.000 2.379 45 L HA 0.528 4.868 4.340 -0.000 0.000 0.269 45 L C 0.422 177.321 176.870 0.049 0.000 1.084 45 L CA -0.447 54.426 54.840 0.057 0.000 0.802 45 L CB 1.187 43.274 42.059 0.046 0.000 1.175 45 L HN 0.554 nan 8.230 nan 0.000 0.448 46 D N 0.237 120.659 120.400 0.036 0.000 2.371 46 D HA 0.467 5.107 4.640 -0.000 0.000 0.242 46 D C 0.434 176.749 176.300 0.025 0.000 1.218 46 D CA 1.183 55.202 54.000 0.031 0.000 0.945 46 D CB 1.183 41.999 40.800 0.026 0.000 1.137 46 D HN 0.715 nan 8.370 nan 0.000 0.464 47 G N -0.917 107.896 108.800 0.022 0.000 2.681 47 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.220 47 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.220 47 G C -1.045 173.866 174.900 0.019 0.000 1.353 47 G CA -0.157 44.954 45.100 0.017 0.000 0.872 47 G HN 0.688 nan 8.290 nan 0.000 0.557 48 V N 0.900 120.823 119.914 0.015 0.000 2.789 48 V HA 0.695 4.815 4.120 -0.000 0.000 0.311 48 V C 0.870 176.973 176.094 0.014 0.000 1.073 48 V CA 0.236 62.544 62.300 0.014 0.000 0.921 48 V CB 1.716 33.544 31.823 0.009 0.000 1.009 48 V HN 1.352 nan 8.190 nan 0.000 0.426 49 N N 2.499 121.208 118.700 0.015 0.000 2.735 49 N HA -0.146 4.594 4.740 -0.000 0.000 0.248 49 N C -0.340 175.179 175.510 0.016 0.000 1.083 49 N CA 0.438 53.496 53.050 0.013 0.000 0.703 49 N CB -0.018 38.474 38.487 0.009 0.000 1.005 49 N HN 0.714 nan 8.380 nan 0.000 0.550 50 Q N 0.705 120.518 119.800 0.022 0.000 2.322 50 Q HA 0.431 4.771 4.340 -0.000 0.000 0.265 50 Q C -0.170 175.850 176.000 0.033 0.000 0.985 50 Q CA -0.060 55.757 55.803 0.023 0.000 0.849 50 Q CB 1.691 30.443 28.738 0.023 0.000 1.274 50 Q HN 0.220 nan 8.270 nan 0.000 0.449 51 R N 1.667 122.185 120.500 0.030 0.000 2.502 51 R HA 0.414 4.754 4.340 -0.000 0.000 0.298 51 R C -0.786 175.532 176.300 0.029 0.000 1.018 51 R CA -0.393 55.730 56.100 0.039 0.000 0.899 51 R CB 1.950 32.274 30.300 0.039 0.000 1.181 51 R HN 0.505 nan 8.270 nan 0.000 0.444 52 E N 1.536 121.754 120.200 0.029 0.000 2.216 52 E HA 0.228 4.578 4.350 -0.000 0.000 0.260 52 E C -0.763 175.840 176.600 0.005 0.000 0.880 52 E CA -0.559 55.846 56.400 0.008 0.000 0.765 52 E CB 2.340 32.033 29.700 -0.011 0.000 1.174 52 E HN 0.319 nan 8.360 nan 0.000 0.417 53 S N 2.097 117.800 115.700 0.003 0.000 2.559 53 S HA 0.095 4.565 4.470 -0.000 0.000 0.282 53 S C 0.132 174.710 174.600 -0.037 0.000 1.336 53 S CA 0.147 58.346 58.200 -0.002 0.000 1.037 53 S CB 0.193 63.395 63.200 0.002 0.000 0.853 53 S HN 0.331 nan 8.310 nan 0.000 0.523 54 I N 4.990 125.532 120.570 -0.046 0.000 2.390 54 I HA 0.260 4.430 4.170 -0.000 0.000 0.283 54 I C -1.770 174.313 176.117 -0.057 0.000 1.016 54 I CA -1.995 59.248 61.300 -0.095 0.000 1.151 54 I CB 1.870 39.767 38.000 -0.171 0.000 1.293 54 I HN 0.453 nan 8.210 nan 0.000 0.458 55 P HA -0.174 nan 4.420 nan 0.000 0.216 55 P C 1.290 178.577 177.300 -0.022 0.000 1.150 55 P CA 1.209 64.290 63.100 -0.031 0.000 0.843 55 P CB 0.140 31.819 31.700 -0.035 0.000 0.787 56 S N -2.499 113.179 115.700 -0.037 0.000 2.603 56 S HA 0.142 4.612 4.470 -0.000 0.000 0.220 56 S C 0.848 175.459 174.600 0.018 0.000 0.967 56 S CA 0.190 58.381 58.200 -0.016 0.000 0.920 56 S CB -0.752 62.431 63.200 -0.028 0.000 0.773 56 S HN 0.055 nan 8.310 nan 0.000 0.529 57 M N 1.877 121.487 119.600 0.018 0.000 2.067 57 M HA 0.376 4.856 4.480 -0.000 0.000 0.214 57 M C -3.164 173.237 176.300 0.168 0.000 0.891 57 M CA -1.660 53.706 55.300 0.110 0.000 0.697 57 M CB 1.733 34.272 32.600 -0.102 0.000 1.616 57 M HN -0.168 nan 8.290 nan 0.000 0.354 58 P HA 0.141 nan 4.420 nan 0.000 0.264 58 P C 1.065 178.492 177.300 0.212 0.000 1.193 58 P CA 1.225 64.405 63.100 0.133 0.000 0.763 58 P CB 0.714 32.458 31.700 0.074 0.000 0.810 59 G N 1.269 110.160 108.800 0.153 0.000 2.199 59 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.254 59 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.254 59 G C -0.032 174.960 174.900 0.154 0.000 0.982 59 G CA -0.062 45.142 45.100 0.174 0.000 0.632 59 G HN 0.532 nan 8.290 nan 0.000 0.529 60 V N 0.942 120.918 119.914 0.104 0.000 2.472 60 V HA 0.638 4.757 4.120 -0.000 0.000 0.290 60 V C 0.139 176.285 176.094 0.086 0.000 1.037 60 V CA -0.598 61.738 62.300 0.060 0.000 0.908 60 V CB 1.725 33.511 31.823 -0.060 0.000 0.985 60 V HN 0.359 nan 8.190 nan 0.000 0.454 61 E N 3.268 123.549 120.200 0.136 0.000 2.238 61 E HA 0.516 4.866 4.350 -0.000 0.000 0.267 61 E C -0.927 175.782 176.600 0.181 0.000 0.887 61 E CA -0.958 55.517 56.400 0.125 0.000 0.769 61 E CB 2.399 32.171 29.700 0.120 0.000 1.187 61 E HN 0.551 nan 8.360 nan 0.000 0.416 62 R N 2.277 122.852 120.500 0.126 0.000 2.298 62 R HA 0.407 4.747 4.340 -0.000 0.000 0.310 62 R C -0.392 175.983 176.300 0.125 0.000 1.068 62 R CA -0.138 56.053 56.100 0.152 0.000 0.957 62 R CB 0.494 30.827 30.300 0.055 0.000 1.003 62 R HN 0.284 nan 8.270 nan 0.000 0.454 63 L N 1.968 123.281 121.223 0.149 0.000 2.386 63 L HA 0.347 4.687 4.340 -0.000 0.000 0.271 63 L C 0.392 177.322 176.870 0.100 0.000 0.993 63 L CA -0.881 54.032 54.840 0.122 0.000 0.819 63 L CB 2.219 44.372 42.059 0.156 0.000 1.294 63 L HN 0.766 nan 8.230 nan 0.000 0.414 64 S N 1.668 117.411 115.700 0.071 0.000 2.608 64 S HA 0.285 4.755 4.470 -0.000 0.000 0.261 64 S C 1.180 175.818 174.600 0.063 0.000 1.314 64 S CA -0.564 57.671 58.200 0.058 0.000 0.992 64 S CB 1.010 64.234 63.200 0.039 0.000 0.935 64 S HN 0.538 nan 8.310 nan 0.000 0.564 65 I N 1.445 122.048 120.570 0.055 0.000 2.286 65 I HA -0.201 3.969 4.170 -0.000 0.000 0.248 65 I C 2.423 178.569 176.117 0.049 0.000 1.115 65 I CA 1.687 63.022 61.300 0.058 0.000 1.392 65 I CB -0.568 37.460 38.000 0.048 0.000 1.065 65 I HN 0.839 nan 8.210 nan 0.000 0.418 66 D N 0.484 120.904 120.400 0.033 0.000 2.117 66 D HA -0.246 4.394 4.640 -0.000 0.000 0.197 66 D C 1.847 178.158 176.300 0.018 0.000 0.987 66 D CA 1.254 55.266 54.000 0.021 0.000 0.829 66 D CB -0.488 40.319 40.800 0.012 0.000 0.961 66 D HN 0.326 nan 8.370 nan 0.000 0.460 67 Q N 0.166 119.979 119.800 0.022 0.000 2.123 67 Q HA 0.001 4.341 4.340 -0.000 0.000 0.199 67 Q C 2.487 178.484 176.000 -0.006 0.000 0.966 67 Q CA 0.309 56.118 55.803 0.010 0.000 0.845 67 Q CB -0.656 28.098 28.738 0.027 0.000 0.907 67 Q HN 0.357 nan 8.270 nan 0.000 0.439 68 L N 0.462 121.710 121.223 0.041 0.000 2.042 68 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 68 L C 2.055 178.928 176.870 0.005 0.000 1.076 68 L CA 1.486 56.364 54.840 0.064 0.000 0.749 68 L CB -0.556 41.595 42.059 0.153 0.000 0.893 68 L HN 0.143 nan 8.230 nan 0.000 0.432 69 L N -0.987 120.275 121.223 0.064 0.000 2.131 69 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 69 L C 2.434 179.368 176.870 0.107 0.000 1.092 69 L CA 1.375 56.306 54.840 0.152 0.000 0.759 69 L CB -0.495 41.625 42.059 0.101 0.000 0.903 69 L HN 0.317 nan 8.230 nan 0.000 0.435 70 I N -0.854 119.703 120.570 -0.022 0.000 2.233 70 I HA -0.184 3.986 4.170 -0.000 0.000 0.243 70 I C 2.494 178.468 176.117 -0.239 0.000 1.093 70 I CA 0.828 62.085 61.300 -0.072 0.000 1.380 70 I CB -0.334 37.628 38.000 -0.063 0.000 1.067 70 I HN 0.187 nan 8.210 nan 0.000 0.413 71 E N 1.219 121.169 120.200 -0.416 0.000 2.160 71 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 71 E C 2.277 178.022 176.600 -1.425 0.000 0.991 71 E CA 1.413 57.302 56.400 -0.851 0.000 0.810 71 E CB -0.297 28.840 29.700 -0.938 0.000 0.742 71 E HN 0.514 nan 8.360 nan 0.000 0.466 72 A N 1.104 123.282 122.820 -1.070 0.000 2.066 72 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 72 A C 1.996 179.114 177.584 -0.778 0.000 1.157 72 A CA 0.999 52.535 52.037 -0.834 0.000 0.670 72 A CB -0.318 18.428 19.000 -0.424 0.000 0.804 72 A HN 0.192 nan 8.150 nan 0.000 0.453 73 E N -0.586 119.349 120.200 -0.441 0.000 2.058 73 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 73 E C 2.008 178.479 176.600 -0.216 0.000 0.997 73 E CA 1.602 57.892 56.400 -0.182 0.000 0.801 73 E CB -0.064 29.640 29.700 0.006 0.000 0.746 73 E HN 0.769 nan 8.360 nan 0.000 0.450 74 E N -0.073 119.954 120.200 -0.289 0.000 2.158 74 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 74 E C 1.590 178.158 176.600 -0.054 0.000 0.982 74 E CA 0.920 57.215 56.400 -0.173 0.000 0.823 74 E CB -0.101 29.489 29.700 -0.183 0.000 0.766 74 E HN 0.278 nan 8.360 nan 0.000 0.468 75 W N 0.234 121.457 121.300 -0.128 0.000 2.381 75 W HA -0.058 4.602 4.660 -0.000 0.000 0.301 75 W C 2.114 178.542 176.519 -0.152 0.000 1.205 75 W CA 0.627 57.892 57.345 -0.132 0.000 1.285 75 W CB -1.172 28.194 29.460 -0.157 0.000 1.133 75 W HN 0.035 nan 8.180 nan 0.000 0.521 76 V N 0.991 120.882 119.914 -0.039 0.000 2.358 76 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 76 V C 2.581 178.664 176.094 -0.018 0.000 1.047 76 V CA 2.229 64.479 62.300 -0.083 0.000 1.035 76 V CB -1.541 30.146 31.823 -0.228 0.000 0.658 76 V HN 0.115 nan 8.190 nan 0.000 0.452 77 A N -0.249 122.560 122.820 -0.018 0.000 1.940 77 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 77 A C 2.135 179.733 177.584 0.024 0.000 1.176 77 A CA 1.679 53.721 52.037 0.009 0.000 0.631 77 A CB -0.564 18.439 19.000 0.004 0.000 0.814 77 A HN 0.525 nan 8.150 nan 0.000 0.446 78 L N -1.314 119.934 121.223 0.040 0.000 2.465 78 L HA 0.082 4.422 4.340 -0.000 0.000 0.224 78 L C 1.779 178.672 176.870 0.038 0.000 1.145 78 L CA 0.667 55.538 54.840 0.050 0.000 0.834 78 L CB -0.267 41.843 42.059 0.084 0.000 0.944 78 L HN 0.616 nan 8.230 nan 0.000 0.451 79 G N 0.336 109.154 108.800 0.030 0.000 2.141 79 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.242 79 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.242 79 G C 0.277 175.184 174.900 0.011 0.000 0.982 79 G CA -0.297 44.815 45.100 0.019 0.000 0.662 79 G HN 0.265 nan 8.290 nan 0.000 0.527 80 I N 1.575 122.153 120.570 0.013 0.000 2.662 80 I HA 0.094 4.264 4.170 -0.000 0.000 0.285 80 I C -0.204 175.900 176.117 -0.023 0.000 1.161 80 I CA -1.425 59.867 61.300 -0.014 0.000 1.415 80 I CB 1.052 39.032 38.000 -0.034 0.000 1.385 80 I HN -0.044 nan 8.210 nan 0.000 0.552 81 P HA -0.017 nan 4.420 nan 0.000 0.217 81 P C -0.103 177.176 177.300 -0.035 0.000 1.151 81 P CA 0.794 63.883 63.100 -0.019 0.000 0.828 81 P CB 0.362 32.058 31.700 -0.007 0.000 0.788 82 A N -1.329 121.451 122.820 -0.067 0.000 2.606 82 A HA 0.669 4.989 4.320 -0.000 0.000 0.293 82 A C -1.559 175.936 177.584 -0.148 0.000 1.082 82 A CA -0.634 51.349 52.037 -0.090 0.000 0.685 82 A CB 0.679 19.623 19.000 -0.093 0.000 1.284 82 A HN -0.053 nan 8.150 nan 0.000 0.408 83 L N 0.706 121.840 121.223 -0.147 0.000 2.334 83 L HA 0.796 5.136 4.340 -0.000 0.000 0.273 83 L C 0.326 177.073 176.870 -0.206 0.000 1.013 83 L CA -0.873 53.843 54.840 -0.206 0.000 0.816 83 L CB 2.035 43.999 42.059 -0.159 0.000 1.278 83 L HN 0.841 nan 8.230 nan 0.000 0.431 84 A N 3.980 126.657 122.820 -0.238 0.000 2.258 84 A HA 0.686 5.006 4.320 -0.000 0.000 0.316 84 A C -0.500 176.864 177.584 -0.366 0.000 1.279 84 A CA -0.483 51.388 52.037 -0.276 0.000 0.876 84 A CB 0.402 19.298 19.000 -0.173 0.000 1.170 84 A HN 0.653 nan 8.150 nan 0.000 0.520 85 L N 2.237 123.187 121.223 -0.455 0.000 2.305 85 L HA 0.464 4.804 4.340 -0.000 0.000 0.281 85 L C -1.139 175.344 176.870 -0.645 0.000 1.085 85 L CA -0.066 54.551 54.840 -0.371 0.000 0.813 85 L CB 0.597 42.517 42.059 -0.232 0.000 1.157 85 L HN 0.636 nan 8.230 nan 0.000 0.436 86 F N 4.006 123.953 119.950 -0.005 0.000 2.513 86 F HA 0.379 4.906 4.527 -0.000 0.000 0.358 86 F C -2.061 173.788 175.800 0.082 0.000 1.118 86 F CA -2.296 55.752 58.000 0.080 0.000 1.037 86 F CB 1.358 40.454 39.000 0.160 0.000 1.276 86 F HN 0.264 nan 8.300 nan 0.000 0.446 87 P HA 0.125 nan 4.420 nan 0.000 0.275 87 P C -0.477 176.854 177.300 0.051 0.000 1.228 87 P CA -0.172 62.992 63.100 0.107 0.000 0.786 87 P CB 1.872 33.644 31.700 0.120 0.000 0.927 88 V N 3.501 123.438 119.914 0.040 0.000 2.284 88 V HA 0.098 4.218 4.120 -0.000 0.000 0.260 88 V C 0.690 176.756 176.094 -0.048 0.000 1.084 88 V CA -0.123 62.157 62.300 -0.033 0.000 0.894 88 V CB -0.262 31.545 31.823 -0.027 0.000 1.119 88 V HN 0.535 nan 8.190 nan 0.000 0.484 89 T N 7.533 122.025 114.554 -0.104 0.000 2.867 89 T HA 0.167 4.517 4.350 -0.000 0.000 0.297 89 T C -2.130 172.547 174.700 -0.039 0.000 0.989 89 T CA -0.469 61.595 62.100 -0.060 0.000 1.159 89 T CB 0.572 69.354 68.868 -0.144 0.000 0.928 89 T HN 0.399 nan 8.240 nan 0.000 0.538 90 P HA 0.064 nan 4.420 nan 0.000 0.266 90 P C 1.124 178.414 177.300 -0.016 0.000 1.195 90 P CA -0.252 62.842 63.100 -0.010 0.000 0.768 90 P CB 0.428 32.130 31.700 0.004 0.000 0.838 91 V N 3.071 122.969 119.914 -0.027 0.000 2.317 91 V HA -0.299 3.821 4.120 -0.000 0.000 0.251 91 V C 2.017 178.102 176.094 -0.016 0.000 1.065 91 V CA 1.957 64.240 62.300 -0.028 0.000 1.049 91 V CB -1.016 30.790 31.823 -0.028 0.000 0.651 91 V HN 0.669 nan 8.190 nan 0.000 0.450 92 E N -0.301 119.893 120.200 -0.009 0.000 2.204 92 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 92 E C 1.980 178.580 176.600 -0.000 0.000 0.990 92 E CA 0.964 57.361 56.400 -0.005 0.000 0.821 92 E CB -0.123 29.574 29.700 -0.004 0.000 0.750 92 E HN 0.605 nan 8.360 nan 0.000 0.477 93 K N 0.746 121.151 120.400 0.009 0.000 2.444 93 K HA 0.067 4.387 4.320 -0.000 0.000 0.193 93 K C 0.120 176.745 176.600 0.040 0.000 1.024 93 K CA 0.165 56.467 56.287 0.025 0.000 1.077 93 K CB 0.309 32.838 32.500 0.047 0.000 0.833 93 K HN -0.058 nan 8.250 nan 0.000 0.517 94 K N 1.395 121.805 120.400 0.017 0.000 2.218 94 K HA 0.159 4.479 4.320 -0.000 0.000 0.276 94 K C 0.029 176.623 176.600 -0.011 0.000 1.022 94 K CA -0.224 56.066 56.287 0.006 0.000 0.946 94 K CB 1.378 33.857 32.500 -0.035 0.000 1.000 94 K HN 0.023 nan 8.250 nan 0.000 0.468 95 S N 1.324 117.012 115.700 -0.020 0.000 2.671 95 S HA 0.297 4.767 4.470 -0.000 0.000 0.277 95 S C 0.615 175.194 174.600 -0.035 0.000 1.165 95 S CA -1.034 57.153 58.200 -0.022 0.000 0.822 95 S CB 0.662 63.853 63.200 -0.015 0.000 1.150 95 S HN 0.513 nan 8.310 nan 0.000 0.479 96 L N 0.913 122.137 121.223 0.003 0.000 2.056 96 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 96 L C 1.902 178.806 176.870 0.057 0.000 1.078 96 L CA 2.360 57.228 54.840 0.046 0.000 0.749 96 L CB -0.544 41.557 42.059 0.069 0.000 0.901 96 L HN 0.962 nan 8.230 nan 0.000 0.433 97 D N -0.678 119.743 120.400 0.035 0.000 2.349 97 D HA -0.011 4.629 4.640 -0.000 0.000 0.215 97 D C 1.068 177.385 176.300 0.027 0.000 1.016 97 D CA 0.775 54.801 54.000 0.044 0.000 0.870 97 D CB 0.099 40.926 40.800 0.046 0.000 0.917 97 D HN 0.160 nan 8.370 nan 0.000 0.524 98 A N -0.362 122.456 122.820 -0.004 0.000 2.860 98 A HA -0.171 4.149 4.320 -0.000 0.000 0.267 98 A C 1.866 179.313 177.584 -0.228 0.000 1.421 98 A CA 1.214 53.237 52.037 -0.023 0.000 0.831 98 A CB -2.284 16.747 19.000 0.052 0.000 1.041 98 A HN 0.847 nan 8.150 nan 0.000 0.623 99 A N -0.707 121.948 122.820 -0.275 0.000 2.024 99 A HA -0.042 4.278 4.320 -0.000 0.000 0.220 99 A C 1.693 178.710 177.584 -0.945 0.000 1.164 99 A CA 2.253 53.908 52.037 -0.636 0.000 0.643 99 A CB -0.303 18.523 19.000 -0.289 0.000 0.806 99 A HN 1.057 nan 8.150 nan 0.000 0.451 100 E N 0.328 120.183 120.200 -0.575 0.000 2.265 100 E HA -0.044 4.306 4.350 -0.000 0.000 0.196 100 E C 1.899 177.903 176.600 -0.993 0.000 0.996 100 E CA 1.176 57.246 56.400 -0.550 0.000 0.832 100 E CB -0.475 29.127 29.700 -0.163 0.000 0.756 100 E HN 0.514 nan 8.360 nan 0.000 0.491 101 A N 0.177 122.174 122.820 -1.372 0.000 1.917 101 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 101 A C 1.699 178.899 177.584 -0.639 0.000 1.182 101 A CA 1.852 53.068 52.037 -1.368 0.000 0.633 101 A CB -0.883 17.689 19.000 -0.714 0.000 0.819 101 A HN 0.582 nan 8.150 nan 0.000 0.448 102 Y N -1.995 118.080 120.300 -0.377 0.000 2.607 102 Y HA 0.446 4.996 4.550 -0.000 0.000 0.266 102 Y C 0.194 175.997 175.900 -0.162 0.000 1.178 102 Y CA -1.447 56.508 58.100 -0.243 0.000 1.226 102 Y CB -1.012 37.328 38.460 -0.200 0.000 1.144 102 Y HN 0.154 nan 8.280 nan 0.000 0.528 103 N N 3.718 122.253 118.700 -0.275 0.000 2.452 103 N HA 0.073 4.813 4.740 -0.000 0.000 0.266 103 N C -1.919 173.569 175.510 -0.038 0.000 1.209 103 N CA -2.135 50.833 53.050 -0.137 0.000 0.929 103 N CB 1.276 39.655 38.487 -0.181 0.000 1.063 103 N HN 0.067 nan 8.380 nan 0.000 0.472 104 P HA -0.039 nan 4.420 nan 0.000 0.228 104 P C 0.080 177.388 177.300 0.013 0.000 1.151 104 P CA 1.024 64.136 63.100 0.019 0.000 0.770 104 P CB 0.405 32.119 31.700 0.023 0.000 0.786 105 E N -0.772 119.429 120.200 0.001 0.000 2.501 105 E HA 0.207 4.557 4.350 -0.000 0.000 0.200 105 E C 1.118 177.723 176.600 0.007 0.000 1.016 105 E CA -0.108 56.295 56.400 0.005 0.000 0.921 105 E CB -0.104 29.597 29.700 0.001 0.000 1.034 105 E HN 0.100 nan 8.360 nan 0.000 0.468 106 G N 0.883 109.684 108.800 0.002 0.000 2.594 106 G HA2 0.115 4.075 3.960 -0.000 0.000 0.243 106 G HA3 0.115 4.075 3.960 -0.000 0.000 0.243 106 G C 1.265 176.201 174.900 0.059 0.000 1.229 106 G CA -0.507 44.609 45.100 0.027 0.000 0.843 106 G HN 0.083 nan 8.290 nan 0.000 0.578 107 I N 1.391 122.015 120.570 0.090 0.000 2.151 107 I HA -0.322 3.848 4.170 -0.000 0.000 0.243 107 I C 3.124 179.279 176.117 0.064 0.000 1.080 107 I CA 1.843 63.190 61.300 0.078 0.000 1.339 107 I CB -0.203 37.852 38.000 0.092 0.000 1.039 107 I HN 0.564 nan 8.210 nan 0.000 0.409 108 A N -0.029 122.842 122.820 0.085 0.000 1.908 108 A HA -0.292 4.028 4.320 -0.000 0.000 0.218 108 A C 2.191 179.761 177.584 -0.024 0.000 1.181 108 A CA 1.919 53.961 52.037 0.008 0.000 0.627 108 A CB -0.599 18.405 19.000 0.007 0.000 0.818 108 A HN 0.423 nan 8.150 nan 0.000 0.445 109 Q N -0.684 119.137 119.800 0.034 0.000 2.049 109 Q HA -0.023 4.317 4.340 -0.000 0.000 0.198 109 Q C 2.324 178.336 176.000 0.020 0.000 0.971 109 Q CA 1.502 57.328 55.803 0.039 0.000 0.833 109 Q CB -0.216 28.561 28.738 0.065 0.000 0.896 109 Q HN 0.608 nan 8.270 nan 0.000 0.434 110 R N -0.100 120.415 120.500 0.024 0.000 2.081 110 R HA -0.078 4.262 4.340 -0.000 0.000 0.235 110 R C 2.187 178.499 176.300 0.019 0.000 1.131 110 R CA 1.233 57.345 56.100 0.021 0.000 0.960 110 R CB -0.421 29.893 30.300 0.024 0.000 0.856 110 R HN 0.273 nan 8.270 nan 0.000 0.436 111 A N 0.358 123.190 122.820 0.020 0.000 1.898 111 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 111 A C 2.171 179.766 177.584 0.018 0.000 1.181 111 A CA 1.888 53.941 52.037 0.026 0.000 0.620 111 A CB -0.762 18.255 19.000 0.027 0.000 0.819 111 A HN 0.287 nan 8.150 nan 0.000 0.442 112 T N -0.008 114.540 114.554 -0.011 0.000 2.635 112 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 112 T C 2.059 176.762 174.700 0.005 0.000 1.040 112 T CA 1.675 63.764 62.100 -0.018 0.000 1.156 112 T CB -0.298 68.538 68.868 -0.054 0.000 0.863 112 T HN 0.509 nan 8.240 nan 0.000 0.430 113 R N 0.930 121.434 120.500 0.006 0.000 2.083 113 R HA -0.017 4.323 4.340 -0.000 0.000 0.237 113 R C 2.881 179.185 176.300 0.007 0.000 1.137 113 R CA 1.375 57.479 56.100 0.007 0.000 0.951 113 R CB -0.604 29.701 30.300 0.007 0.000 0.851 113 R HN 0.404 nan 8.270 nan 0.000 0.434 114 A N 1.198 124.025 122.820 0.012 0.000 1.877 114 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 114 A C 2.213 179.809 177.584 0.020 0.000 1.186 114 A CA 1.231 53.272 52.037 0.008 0.000 0.620 114 A CB -0.517 18.494 19.000 0.019 0.000 0.822 114 A HN 0.168 nan 8.150 nan 0.000 0.443 115 L N -1.064 120.200 121.223 0.068 0.000 2.093 115 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 115 L C 2.806 179.746 176.870 0.118 0.000 1.085 115 L CA 0.881 55.811 54.840 0.150 0.000 0.755 115 L CB -0.387 41.781 42.059 0.181 0.000 0.904 115 L HN 0.223 nan 8.230 nan 0.000 0.435 116 R N -0.100 120.436 120.500 0.060 0.000 2.081 116 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 116 R C 2.081 178.391 176.300 0.016 0.000 1.131 116 R CA 1.114 57.240 56.100 0.043 0.000 0.960 116 R CB -0.608 29.705 30.300 0.022 0.000 0.856 116 R HN 0.436 nan 8.270 nan 0.000 0.436 117 E N 0.670 120.862 120.200 -0.013 0.000 2.047 117 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 117 E C 1.988 178.520 176.600 -0.114 0.000 0.987 117 E CA 0.985 57.357 56.400 -0.047 0.000 0.799 117 E CB 0.090 29.762 29.700 -0.046 0.000 0.752 117 E HN 0.000 nan 8.360 nan 0.000 0.449 118 R N -0.559 119.824 120.500 -0.195 0.000 2.090 118 R HA -0.054 4.286 4.340 -0.000 0.000 0.228 118 R C 0.175 176.072 176.300 -0.672 0.000 1.110 118 R CA 1.107 56.910 56.100 -0.495 0.000 0.973 118 R CB -0.063 29.832 30.300 -0.675 0.000 0.869 118 R HN 0.010 nan 8.270 nan 0.000 0.440 119 F N -0.345 119.609 119.950 0.007 0.000 2.622 119 F HA 0.406 4.933 4.527 -0.000 0.000 0.338 119 F C -1.935 173.872 175.800 0.011 0.000 1.334 119 F CA -2.618 55.390 58.000 0.012 0.000 1.179 119 F CB 1.929 40.943 39.000 0.024 0.000 1.471 119 F HN -0.047 nan 8.300 nan 0.000 0.576 120 P HA -0.148 nan 4.420 nan 0.000 0.219 120 P C 1.312 178.659 177.300 0.078 0.000 1.146 120 P CA 1.350 64.494 63.100 0.074 0.000 0.808 120 P CB 0.424 32.148 31.700 0.040 0.000 0.779 121 E N -1.168 119.091 120.200 0.098 0.000 2.442 121 E HA 0.050 4.400 4.350 -0.000 0.000 0.195 121 E C 0.640 177.278 176.600 0.063 0.000 1.030 121 E CA -0.090 56.353 56.400 0.071 0.000 0.869 121 E CB -0.347 29.393 29.700 0.067 0.000 0.857 121 E HN 0.211 nan 8.360 nan 0.000 0.505 122 L N 1.274 122.551 121.223 0.091 0.000 2.367 122 L HA 0.301 4.641 4.340 -0.000 0.000 0.275 122 L C 0.468 177.357 176.870 0.032 0.000 1.129 122 L CA -0.046 54.828 54.840 0.055 0.000 0.839 122 L CB 1.077 43.178 42.059 0.069 0.000 1.133 122 L HN -0.062 nan 8.230 nan 0.000 0.453 123 G N 6.360 115.159 108.800 -0.002 0.000 2.380 123 G HA2 0.454 4.414 3.960 -0.000 0.000 0.262 123 G HA3 0.454 4.414 3.960 -0.000 0.000 0.262 123 G C -0.516 174.357 174.900 -0.045 0.000 1.243 123 G CA -0.494 44.591 45.100 -0.025 0.000 0.865 123 G HN 0.491 nan 8.290 nan 0.000 0.513 124 I N 3.703 124.243 120.570 -0.050 0.000 2.378 124 I HA 0.317 4.487 4.170 -0.000 0.000 0.291 124 I C -0.339 175.711 176.117 -0.112 0.000 0.992 124 I CA -1.176 60.078 61.300 -0.075 0.000 1.154 124 I CB 1.593 39.562 38.000 -0.051 0.000 1.315 124 I HN 0.250 nan 8.210 nan 0.000 0.448 125 I N 5.805 126.282 120.570 -0.155 0.000 2.405 125 I HA 0.215 4.385 4.170 -0.000 0.000 0.280 125 I C 0.690 176.669 176.117 -0.230 0.000 1.027 125 I CA -0.408 60.788 61.300 -0.173 0.000 1.161 125 I CB 1.089 38.979 38.000 -0.185 0.000 1.300 125 I HN 0.517 nan 8.210 nan 0.000 0.463 126 T N 1.138 115.557 114.554 -0.225 0.000 2.882 126 T HA 0.344 4.694 4.350 -0.000 0.000 0.287 126 T C -0.247 174.327 174.700 -0.210 0.000 1.014 126 T CA -0.625 61.269 62.100 -0.343 0.000 1.049 126 T CB 2.046 70.517 68.868 -0.661 0.000 1.001 126 T HN 0.450 nan 8.240 nan 0.000 0.525 127 D N 0.527 120.795 120.400 -0.220 0.000 2.280 127 D HA 0.396 5.036 4.640 -0.000 0.000 0.236 127 D C -0.962 175.443 176.300 0.175 0.000 1.082 127 D CA -0.538 53.434 54.000 -0.047 0.000 0.834 127 D CB 0.996 41.725 40.800 -0.118 0.000 1.100 127 D HN 0.398 nan 8.370 nan 0.000 0.486 128 V N 3.253 123.247 119.914 0.133 0.000 2.311 128 V HA 0.826 4.946 4.120 -0.000 0.000 0.275 128 V C -0.023 176.109 176.094 0.064 0.000 1.022 128 V CA -0.199 62.178 62.300 0.128 0.000 0.830 128 V CB 0.149 32.014 31.823 0.072 0.000 1.012 128 V HN 0.816 nan 8.190 nan 0.000 0.452 129 A N 4.375 127.270 122.820 0.124 0.000 2.586 129 A HA 0.563 4.883 4.320 -0.000 0.000 0.298 129 A C -0.377 177.343 177.584 0.226 0.000 1.013 129 A CA -0.587 51.512 52.037 0.104 0.000 0.707 129 A CB 0.749 19.778 19.000 0.048 0.000 1.276 129 A HN 0.579 nan 8.150 nan 0.000 0.414 130 L N 1.204 122.534 121.223 0.179 0.000 2.567 130 L HA 0.090 4.430 4.340 -0.000 0.000 0.225 130 L C 1.918 178.887 176.870 0.166 0.000 1.119 130 L CA 0.738 55.739 54.840 0.270 0.000 0.871 130 L CB -0.333 41.817 42.059 0.152 0.000 1.036 130 L HN 0.957 nan 8.230 nan 0.000 0.459 131 D N 1.045 121.490 120.400 0.076 0.000 2.182 131 D HA -0.160 4.480 4.640 -0.000 0.000 0.201 131 D C -0.894 175.326 176.300 -0.132 0.000 0.986 131 D CA 0.922 54.928 54.000 0.010 0.000 0.847 131 D CB -1.351 39.486 40.800 0.061 0.000 0.942 131 D HN 0.283 nan 8.370 nan 0.000 0.467 132 P HA 0.057 nan 4.420 nan 0.000 0.241 132 P C 0.579 177.405 177.300 -0.791 0.000 1.191 132 P CA 0.533 63.252 63.100 -0.635 0.000 0.771 132 P CB -0.298 30.848 31.700 -0.924 0.000 0.929 133 F N -1.209 118.716 119.950 -0.042 0.000 2.724 133 F HA 0.168 4.695 4.527 -0.000 0.000 0.306 133 F C 1.187 176.913 175.800 -0.124 0.000 1.100 133 F CA -0.115 57.840 58.000 -0.076 0.000 1.255 133 F CB -0.825 38.130 39.000 -0.075 0.000 1.072 133 F HN -0.238 nan 8.300 nan 0.000 0.589 134 T N -2.354 112.157 114.554 -0.071 0.000 2.875 134 T HA 0.277 4.626 4.350 -0.000 0.000 0.284 134 T C 1.292 175.803 174.700 -0.316 0.000 0.995 134 T CA 0.024 61.949 62.100 -0.291 0.000 1.060 134 T CB 1.698 70.216 68.868 -0.584 0.000 0.967 134 T HN 0.199 nan 8.240 nan 0.000 0.476 135 T N -0.735 113.628 114.554 -0.317 0.000 2.915 135 T HA -0.170 4.180 4.350 -0.000 0.000 0.269 135 T C 1.450 176.083 174.700 -0.112 0.000 1.071 135 T CA 1.449 63.456 62.100 -0.155 0.000 1.132 135 T CB -0.825 68.004 68.868 -0.065 0.000 0.878 135 T HN 0.959 nan 8.240 nan 0.000 0.479 136 H N -0.152 118.929 119.070 0.018 0.000 2.539 136 H HA 0.543 5.099 4.556 -0.000 0.000 0.269 136 H C 1.814 177.158 175.328 0.026 0.000 0.980 136 H CA -0.298 55.763 56.048 0.021 0.000 1.152 136 H CB -0.638 29.139 29.762 0.025 0.000 1.407 136 H HN 0.427 nan 8.280 nan 0.000 0.564 137 G N 0.016 108.808 108.800 -0.013 0.000 2.168 137 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.263 137 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.263 137 G C 0.164 175.155 174.900 0.153 0.000 0.977 137 G CA 0.360 45.488 45.100 0.046 0.000 0.659 137 G HN 0.485 nan 8.290 nan 0.000 0.533 138 Q N -0.029 119.971 119.800 0.333 0.000 2.260 138 Q HA 0.346 4.686 4.340 -0.000 0.000 0.238 138 Q C 0.486 176.609 176.000 0.205 0.000 0.948 138 Q CA -0.406 55.584 55.803 0.311 0.000 0.895 138 Q CB 0.814 29.718 28.738 0.277 0.000 1.218 138 Q HN 0.214 nan 8.270 nan 0.000 0.470 139 D N 0.295 120.777 120.400 0.137 0.000 2.363 139 D HA 0.116 4.756 4.640 -0.000 0.000 0.226 139 D C 0.641 176.902 176.300 -0.064 0.000 1.020 139 D CA 0.499 54.519 54.000 0.033 0.000 0.892 139 D CB 0.300 41.132 40.800 0.055 0.000 0.900 139 D HN 0.561 nan 8.370 nan 0.000 0.531 140 G N -0.619 108.127 108.800 -0.089 0.000 2.870 140 G HA2 0.489 4.449 3.960 -0.000 0.000 0.299 140 G HA3 0.489 4.449 3.960 -0.000 0.000 0.299 140 G C -1.112 173.799 174.900 0.018 0.000 1.324 140 G CA -0.681 44.366 45.100 -0.089 0.000 0.808 140 G HN -0.092 nan 8.290 nan 0.000 0.535 141 I N 1.371 121.928 120.570 -0.022 0.000 2.395 141 I HA 0.310 4.479 4.170 -0.000 0.000 0.289 141 I C 0.245 176.322 176.117 -0.067 0.000 1.023 141 I CA -0.214 61.098 61.300 0.020 0.000 1.350 141 I CB 0.830 38.839 38.000 0.016 0.000 1.409 141 I HN 0.214 nan 8.210 nan 0.000 0.507 142 L N 5.225 126.401 121.223 -0.078 0.000 2.375 142 L HA 0.263 4.603 4.340 -0.000 0.000 0.271 142 L C 0.394 177.241 176.870 -0.038 0.000 1.107 142 L CA -0.858 53.900 54.840 -0.136 0.000 0.806 142 L CB 0.839 42.746 42.059 -0.255 0.000 1.146 142 L HN 0.590 nan 8.230 nan 0.000 0.447 143 D N -0.205 120.199 120.400 0.006 0.000 2.478 143 D HA 0.039 4.679 4.640 -0.000 0.000 0.269 143 D C 0.229 176.548 176.300 0.032 0.000 1.232 143 D CA -0.542 53.483 54.000 0.043 0.000 1.059 143 D CB 0.533 41.390 40.800 0.095 0.000 1.104 143 D HN 0.354 nan 8.370 nan 0.000 0.566 144 D N -1.178 119.242 120.400 0.033 0.000 2.371 144 D HA -0.039 4.601 4.640 -0.000 0.000 0.221 144 D C 0.267 176.583 176.300 0.027 0.000 0.986 144 D CA 0.560 54.574 54.000 0.024 0.000 0.899 144 D CB -0.076 40.737 40.800 0.020 0.000 0.902 144 D HN 0.335 nan 8.370 nan 0.000 0.530 145 D N -0.668 119.757 120.400 0.042 0.000 2.349 145 D HA 0.140 4.780 4.640 -0.000 0.000 0.214 145 D C 1.480 177.816 176.300 0.060 0.000 1.063 145 D CA 0.300 54.328 54.000 0.046 0.000 0.847 145 D CB 0.568 41.396 40.800 0.046 0.000 0.933 145 D HN 0.194 nan 8.370 nan 0.000 0.513 146 G N 1.248 110.074 108.800 0.043 0.000 2.147 146 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.244 146 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.244 146 G C -0.049 174.877 174.900 0.042 0.000 1.005 146 G CA 0.138 45.241 45.100 0.005 0.000 0.713 146 G HN 0.417 nan 8.290 nan 0.000 0.515 147 Y N 0.598 120.871 120.300 -0.045 0.000 2.310 147 Y HA 0.543 5.093 4.550 -0.000 0.000 0.326 147 Y C 0.556 176.422 175.900 -0.057 0.000 1.151 147 Y CA -0.997 57.087 58.100 -0.027 0.000 1.195 147 Y CB 1.512 39.966 38.460 -0.009 0.000 1.210 147 Y HN 0.185 nan 8.280 nan 0.000 0.483 148 V N 8.315 127.759 119.914 -0.783 0.000 2.403 148 V HA 0.006 4.126 4.120 -0.000 0.000 0.265 148 V C 0.296 175.902 176.094 -0.812 0.000 1.034 148 V CA -0.208 61.673 62.300 -0.698 0.000 1.036 148 V CB -0.555 30.849 31.823 -0.699 0.000 1.032 148 V HN 0.637 nan 8.190 nan 0.000 0.478 149 L N 4.575 125.585 121.223 -0.356 0.000 2.513 149 L HA 0.066 4.406 4.340 -0.000 0.000 0.272 149 L C 1.543 178.319 176.870 -0.157 0.000 1.187 149 L CA 0.230 54.986 54.840 -0.141 0.000 0.895 149 L CB 0.082 42.118 42.059 -0.038 0.000 1.147 149 L HN 0.639 nan 8.230 nan 0.000 0.483 150 N N 1.534 120.193 118.700 -0.070 0.000 2.081 150 N HA -0.165 4.575 4.740 -0.000 0.000 0.191 150 N C 1.154 176.635 175.510 -0.049 0.000 1.053 150 N CA 1.574 54.585 53.050 -0.066 0.000 0.846 150 N CB 0.222 38.710 38.487 0.001 0.000 1.032 150 N HN 0.620 nan 8.380 nan 0.000 0.431 151 D N -0.588 119.802 120.400 -0.017 0.000 2.183 151 D HA -0.045 4.595 4.640 -0.000 0.000 0.203 151 D C 1.978 178.264 176.300 -0.024 0.000 0.969 151 D CA 0.413 54.403 54.000 -0.017 0.000 0.842 151 D CB -0.248 40.550 40.800 -0.004 0.000 0.957 151 D HN 0.096 nan 8.370 nan 0.000 0.484 152 V N 0.707 120.608 119.914 -0.022 0.000 2.358 152 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 152 V C 2.392 178.468 176.094 -0.031 0.000 1.047 152 V CA 1.547 63.834 62.300 -0.022 0.000 1.035 152 V CB -0.429 31.387 31.823 -0.011 0.000 0.658 152 V HN 0.146 nan 8.190 nan 0.000 0.452 153 S N -0.047 115.623 115.700 -0.051 0.000 2.368 153 S HA -0.119 4.351 4.470 -0.000 0.000 0.225 153 S C 1.890 176.462 174.600 -0.047 0.000 1.030 153 S CA 1.554 59.720 58.200 -0.057 0.000 0.999 153 S CB -0.352 62.782 63.200 -0.110 0.000 0.844 153 S HN 0.504 nan 8.310 nan 0.000 0.459 154 I N 1.943 122.484 120.570 -0.050 0.000 2.264 154 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 154 I C 1.955 178.046 176.117 -0.044 0.000 1.111 154 I CA 1.085 62.360 61.300 -0.043 0.000 1.382 154 I CB -0.434 37.544 38.000 -0.036 0.000 1.060 154 I HN 0.180 nan 8.210 nan 0.000 0.418 155 D N 0.398 120.772 120.400 -0.044 0.000 2.123 155 D HA -0.148 4.492 4.640 -0.000 0.000 0.196 155 D C 2.328 178.584 176.300 -0.074 0.000 0.992 155 D CA 1.321 55.286 54.000 -0.058 0.000 0.833 155 D CB -0.306 40.462 40.800 -0.053 0.000 0.954 155 D HN 0.197 nan 8.370 nan 0.000 0.455 156 V N 0.940 120.830 119.914 -0.041 0.000 2.379 156 V HA -0.168 3.952 4.120 -0.000 0.000 0.245 156 V C 2.449 178.535 176.094 -0.012 0.000 1.044 156 V CA 0.774 63.071 62.300 -0.005 0.000 1.036 156 V CB -0.329 31.533 31.823 0.065 0.000 0.664 156 V HN 0.134 nan 8.190 nan 0.000 0.453 157 L N 0.009 121.217 121.223 -0.025 0.000 2.079 157 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 157 L C 2.436 179.263 176.870 -0.071 0.000 1.081 157 L CA 1.586 56.403 54.840 -0.038 0.000 0.752 157 L CB -1.248 40.792 42.059 -0.032 0.000 0.896 157 L HN 0.182 nan 8.230 nan 0.000 0.433 158 V N -0.570 119.299 119.914 -0.075 0.000 2.307 158 V HA -0.274 3.846 4.120 -0.000 0.000 0.245 158 V C 2.660 178.681 176.094 -0.122 0.000 1.045 158 V CA 1.505 63.753 62.300 -0.086 0.000 1.024 158 V CB -0.458 31.322 31.823 -0.073 0.000 0.651 158 V HN 0.415 nan 8.190 nan 0.000 0.449 159 R N -0.354 120.050 120.500 -0.159 0.000 2.083 159 R HA -0.247 4.093 4.340 -0.000 0.000 0.237 159 R C 2.426 178.633 176.300 -0.156 0.000 1.137 159 R CA 1.981 57.945 56.100 -0.227 0.000 0.951 159 R CB -0.448 29.545 30.300 -0.511 0.000 0.851 159 R HN 0.603 nan 8.270 nan 0.000 0.434 160 Q N 0.548 120.273 119.800 -0.124 0.000 2.030 160 Q HA -0.216 4.124 4.340 -0.000 0.000 0.204 160 Q C 2.129 177.789 176.000 -0.565 0.000 0.986 160 Q CA 2.014 57.643 55.803 -0.290 0.000 0.843 160 Q CB -0.178 28.414 28.738 -0.243 0.000 0.904 160 Q HN 0.399 nan 8.270 nan 0.000 0.420 161 A N 0.728 123.334 122.820 -0.357 0.000 1.908 161 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 161 A C 2.090 179.553 177.584 -0.202 0.000 1.181 161 A CA 1.489 53.374 52.037 -0.254 0.000 0.627 161 A CB -0.804 18.131 19.000 -0.109 0.000 0.818 161 A HN 0.485 nan 8.150 nan 0.000 0.445 162 L N 0.275 121.397 121.223 -0.169 0.000 2.046 162 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 162 L C 3.045 179.836 176.870 -0.131 0.000 1.077 162 L CA 1.632 56.395 54.840 -0.128 0.000 0.747 162 L CB -0.481 41.537 42.059 -0.067 0.000 0.896 162 L HN 0.641 nan 8.230 nan 0.000 0.432 163 S N -1.625 113.997 115.700 -0.130 0.000 2.423 163 S HA -0.201 4.269 4.470 -0.000 0.000 0.231 163 S C 1.704 176.319 174.600 0.024 0.000 1.014 163 S CA 0.913 59.081 58.200 -0.052 0.000 0.965 163 S CB -0.691 62.494 63.200 -0.024 0.000 0.785 163 S HN 0.538 nan 8.310 nan 0.000 0.495 164 H N 1.468 120.492 119.070 -0.078 0.000 2.326 164 H HA 0.159 4.715 4.556 -0.000 0.000 0.301 164 H C 2.724 177.971 175.328 -0.135 0.000 1.081 164 H CA 0.754 56.749 56.048 -0.087 0.000 1.334 164 H CB -0.296 29.420 29.762 -0.076 0.000 1.385 164 H HN 0.577 nan 8.280 nan 0.000 0.504 165 A N 1.473 124.233 122.820 -0.101 0.000 1.883 165 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 165 A C 2.088 179.495 177.584 -0.294 0.000 1.186 165 A CA 2.000 53.837 52.037 -0.335 0.000 0.624 165 A CB -0.471 18.053 19.000 -0.793 0.000 0.822 165 A HN 0.481 nan 8.150 nan 0.000 0.444 166 E N -0.370 119.704 120.200 -0.209 0.000 2.118 166 E HA -0.101 4.249 4.350 -0.000 0.000 0.195 166 E C 2.105 178.704 176.600 -0.003 0.000 0.992 166 E CA 1.007 57.383 56.400 -0.039 0.000 0.804 166 E CB -0.282 29.424 29.700 0.008 0.000 0.741 166 E HN 0.635 nan 8.360 nan 0.000 0.458 167 A N 0.015 122.833 122.820 -0.003 0.000 2.168 167 A HA 0.155 4.475 4.320 -0.000 0.000 0.215 167 A C 1.787 179.370 177.584 -0.001 0.000 1.152 167 A CA 1.076 53.118 52.037 0.009 0.000 0.716 167 A CB -0.221 18.792 19.000 0.022 0.000 0.794 167 A HN 0.371 nan 8.150 nan 0.000 0.465 168 G N -2.532 106.259 108.800 -0.015 0.000 2.154 168 G HA2 0.187 4.147 3.960 -0.000 0.000 0.186 168 G HA3 0.187 4.147 3.960 -0.000 0.000 0.186 168 G C 0.305 175.194 174.900 -0.018 0.000 1.000 168 G CA 0.054 45.150 45.100 -0.008 0.000 0.664 168 G HN 1.496 nan 8.290 nan 0.000 0.513 169 A N -0.103 122.696 122.820 -0.035 0.000 2.492 169 A HA 0.587 4.907 4.320 -0.000 0.000 0.254 169 A C 1.238 178.797 177.584 -0.041 0.000 1.091 169 A CA 1.161 53.169 52.037 -0.047 0.000 0.768 169 A CB 0.306 19.267 19.000 -0.064 0.000 1.028 169 A HN 0.489 nan 8.150 nan 0.000 0.498 170 Q N 1.011 120.788 119.800 -0.038 0.000 2.331 170 Q HA 0.163 4.503 4.340 -0.000 0.000 0.203 170 Q C -0.244 175.730 176.000 -0.044 0.000 0.944 170 Q CA 0.841 56.626 55.803 -0.030 0.000 0.892 170 Q CB 0.247 28.971 28.738 -0.023 0.000 0.983 170 Q HN 0.521 nan 8.270 nan 0.000 0.482 171 V N 0.733 120.610 119.914 -0.062 0.000 2.686 171 V HA 0.469 4.589 4.120 -0.000 0.000 0.306 171 V C -0.787 175.270 176.094 -0.061 0.000 1.065 171 V CA -1.202 61.052 62.300 -0.076 0.000 0.894 171 V CB 1.933 33.685 31.823 -0.118 0.000 1.004 171 V HN 0.002 nan 8.190 nan 0.000 0.424 172 V N 1.383 121.278 119.914 -0.032 0.000 2.513 172 V HA 1.008 5.128 4.120 -0.000 0.000 0.299 172 V C 0.104 176.211 176.094 0.021 0.000 1.035 172 V CA -0.595 61.714 62.300 0.016 0.000 0.889 172 V CB 1.635 33.496 31.823 0.064 0.000 0.988 172 V HN 1.235 nan 8.190 nan 0.000 0.440 173 A N 5.589 128.446 122.820 0.062 0.000 2.536 173 A HA 0.834 5.154 4.320 -0.000 0.000 0.329 173 A C -2.853 174.839 177.584 0.181 0.000 1.321 173 A CA -1.730 50.400 52.037 0.155 0.000 0.804 173 A CB 0.805 19.940 19.000 0.225 0.000 1.126 173 A HN 0.750 nan 8.150 nan 0.000 0.480 174 P HA 0.126 nan 4.420 nan 0.000 0.276 174 P C 0.789 178.060 177.300 -0.048 0.000 1.264 174 P CA 0.181 63.303 63.100 0.036 0.000 0.769 174 P CB 1.173 32.894 31.700 0.034 0.000 0.840 175 S N 1.316 116.799 115.700 -0.363 0.000 2.540 175 S HA -0.031 4.439 4.470 -0.000 0.000 0.218 175 S C 1.207 175.614 174.600 -0.321 0.000 0.977 175 S CA -0.183 57.514 58.200 -0.838 0.000 0.918 175 S CB -0.464 61.935 63.200 -1.333 0.000 0.806 175 S HN 0.420 nan 8.310 nan 0.000 0.496 176 D N 1.524 121.841 120.400 -0.138 0.000 2.219 176 D HA -0.152 4.488 4.640 -0.000 0.000 0.205 176 D C 0.787 177.113 176.300 0.043 0.000 0.970 176 D CA 0.514 54.489 54.000 -0.042 0.000 0.851 176 D CB -0.453 40.316 40.800 -0.052 0.000 0.943 176 D HN 0.241 nan 8.370 nan 0.000 0.488 177 M N -0.284 119.342 119.600 0.044 0.000 2.576 177 M HA -0.157 4.323 4.480 -0.000 0.000 0.200 177 M C -0.510 175.833 176.300 0.071 0.000 0.487 177 M CA 0.642 56.000 55.300 0.096 0.000 0.553 177 M CB -1.560 31.142 32.600 0.170 0.000 2.042 177 M HN 0.221 nan 8.290 nan 0.000 0.758 178 M N 0.224 119.818 119.600 -0.011 0.000 2.235 178 M HA 0.230 4.710 4.480 -0.000 0.000 0.351 178 M C 0.650 176.949 176.300 -0.002 0.000 1.178 178 M CA -0.024 55.253 55.300 -0.038 0.000 1.143 178 M CB 0.353 32.907 32.600 -0.076 0.000 1.530 178 M HN 0.051 nan 8.290 nan 0.000 0.461 179 D N 1.593 121.999 120.400 0.010 0.000 2.443 179 D HA 0.266 4.906 4.640 -0.000 0.000 0.239 179 D C 1.312 177.616 176.300 0.006 0.000 1.136 179 D CA 1.002 55.013 54.000 0.017 0.000 0.879 179 D CB 0.583 41.400 40.800 0.028 0.000 1.195 179 D HN 0.921 nan 8.370 nan 0.000 0.443 180 G N 2.376 111.181 108.800 0.007 0.000 2.196 180 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.268 180 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.268 180 G C 1.359 176.257 174.900 -0.003 0.000 0.975 180 G CA 0.856 45.958 45.100 0.003 0.000 0.648 180 G HN 0.579 nan 8.290 nan 0.000 0.538 181 R N 0.627 121.123 120.500 -0.006 0.000 2.148 181 R HA 0.065 4.405 4.340 -0.000 0.000 0.223 181 R C 2.208 178.504 176.300 -0.007 0.000 1.088 181 R CA 1.670 57.763 56.100 -0.011 0.000 0.985 181 R CB -0.599 29.691 30.300 -0.017 0.000 0.880 181 R HN 0.426 nan 8.270 nan 0.000 0.451 182 I N 1.745 122.313 120.570 -0.002 0.000 2.163 182 I HA -0.132 4.038 4.170 -0.000 0.000 0.243 182 I C 2.523 178.637 176.117 -0.005 0.000 1.085 182 I CA 1.756 63.055 61.300 -0.002 0.000 1.347 182 I CB -1.773 36.224 38.000 -0.004 0.000 1.044 182 I HN 0.369 nan 8.210 nan 0.000 0.408 183 G N 0.237 109.034 108.800 -0.005 0.000 2.403 183 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.216 183 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.216 183 G C 1.859 176.756 174.900 -0.006 0.000 1.154 183 G CA 0.833 45.930 45.100 -0.004 0.000 0.784 183 G HN 0.490 nan 8.290 nan 0.000 0.538 184 A N 0.691 123.506 122.820 -0.009 0.000 1.902 184 A HA 0.079 4.399 4.320 -0.000 0.000 0.217 184 A C 2.374 179.948 177.584 -0.016 0.000 1.181 184 A CA 1.189 53.218 52.037 -0.014 0.000 0.623 184 A CB -0.308 18.681 19.000 -0.018 0.000 0.818 184 A HN 0.369 nan 8.150 nan 0.000 0.443 185 I N -1.276 119.285 120.570 -0.015 0.000 2.286 185 I HA -0.180 3.990 4.170 -0.000 0.000 0.245 185 I C 2.624 178.737 176.117 -0.006 0.000 1.104 185 I CA 1.393 62.683 61.300 -0.016 0.000 1.397 185 I CB -0.209 37.782 38.000 -0.015 0.000 1.072 185 I HN 0.298 nan 8.210 nan 0.000 0.417 186 R N 1.598 122.097 120.500 -0.003 0.000 2.094 186 R HA -0.269 4.071 4.340 -0.000 0.000 0.239 186 R C 2.093 178.396 176.300 0.005 0.000 1.137 186 R CA 2.147 58.248 56.100 0.003 0.000 0.943 186 R CB -0.554 29.746 30.300 0.001 0.000 0.850 186 R HN 0.265 nan 8.270 nan 0.000 0.433 187 E N -0.183 120.017 120.200 0.000 0.000 2.110 187 E HA -0.065 4.285 4.350 -0.000 0.000 0.193 187 E C 1.731 178.331 176.600 -0.000 0.000 0.988 187 E CA 1.667 58.066 56.400 -0.001 0.000 0.804 187 E CB -0.438 29.259 29.700 -0.005 0.000 0.745 187 E HN 0.430 nan 8.360 nan 0.000 0.458 188 A N 0.365 123.184 122.820 -0.001 0.000 1.902 188 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 188 A C 2.295 179.898 177.584 0.033 0.000 1.181 188 A CA 1.362 53.401 52.037 0.003 0.000 0.623 188 A CB -0.677 18.316 19.000 -0.012 0.000 0.818 188 A HN 0.342 nan 8.150 nan 0.000 0.443 189 L N -0.745 120.505 121.223 0.045 0.000 2.027 189 L HA -0.160 4.180 4.340 -0.000 0.000 0.206 189 L C 2.737 179.655 176.870 0.080 0.000 1.074 189 L CA 1.242 56.144 54.840 0.103 0.000 0.745 189 L CB -0.537 41.569 42.059 0.077 0.000 0.898 189 L HN 0.346 nan 8.230 nan 0.000 0.433 190 E N -0.240 119.981 120.200 0.034 0.000 2.038 190 E HA -0.253 4.097 4.350 -0.000 0.000 0.195 190 E C 2.344 178.936 176.600 -0.013 0.000 1.000 190 E CA 1.764 58.170 56.400 0.009 0.000 0.803 190 E CB -0.405 29.297 29.700 0.004 0.000 0.750 190 E HN 0.346 nan 8.360 nan 0.000 0.448 191 S N 0.256 115.950 115.700 -0.010 0.000 2.419 191 S HA -0.092 4.378 4.470 -0.000 0.000 0.233 191 S C 1.776 176.352 174.600 -0.041 0.000 1.016 191 S CA 1.174 59.361 58.200 -0.022 0.000 0.974 191 S CB -0.012 63.178 63.200 -0.016 0.000 0.786 191 S HN 0.258 nan 8.310 nan 0.000 0.492 192 A N -0.455 122.339 122.820 -0.043 0.000 2.307 192 A HA 0.556 4.876 4.320 -0.000 0.000 0.218 192 A C 1.594 179.009 177.584 -0.282 0.000 1.228 192 A CA 0.635 52.608 52.037 -0.106 0.000 0.857 192 A CB -1.017 17.980 19.000 -0.004 0.000 0.897 192 A HN 1.401 nan 8.150 nan 0.000 0.495 193 G N -0.706 107.974 108.800 -0.200 0.000 2.148 193 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.254 193 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.254 193 G C 0.134 174.879 174.900 -0.259 0.000 0.981 193 G CA 0.356 45.326 45.100 -0.217 0.000 0.670 193 G HN 0.687 nan 8.290 nan 0.000 0.528 194 H N 1.239 120.303 119.070 -0.010 0.000 2.768 194 H HA 0.296 4.852 4.556 -0.000 0.000 0.219 194 H C 1.760 177.084 175.328 -0.007 0.000 1.898 194 H CA 0.679 56.723 56.048 -0.007 0.000 1.313 194 H CB -0.098 29.660 29.762 -0.007 0.000 1.701 194 H HN 0.257 nan 8.280 nan 0.000 0.534 195 T N 0.321 114.908 114.554 0.055 0.000 2.759 195 T HA -0.125 4.225 4.350 -0.000 0.000 0.269 195 T C 1.662 176.384 174.700 0.036 0.000 1.042 195 T CA 1.100 63.218 62.100 0.031 0.000 1.140 195 T CB 0.220 69.094 68.868 0.009 0.000 0.864 195 T HN 0.498 nan 8.240 nan 0.000 0.455 196 N N 0.734 119.461 118.700 0.045 0.000 2.205 196 N HA 0.137 4.877 4.740 -0.000 0.000 0.201 196 N C -0.335 175.191 175.510 0.026 0.000 1.128 196 N CA 0.030 53.098 53.050 0.031 0.000 0.867 196 N CB 0.615 39.118 38.487 0.026 0.000 0.996 196 N HN 0.201 nan 8.380 nan 0.000 0.503 197 V N 2.555 122.493 119.914 0.040 0.000 2.446 197 V HA 0.064 4.184 4.120 -0.000 0.000 0.276 197 V C 0.773 176.866 176.094 -0.002 0.000 1.030 197 V CA -0.150 62.158 62.300 0.014 0.000 1.033 197 V CB 0.038 31.864 31.823 0.006 0.000 0.993 197 V HN 0.051 nan 8.190 nan 0.000 0.477 198 R N 3.384 123.871 120.500 -0.022 0.000 2.594 198 R HA 0.425 4.765 4.340 -0.000 0.000 0.272 198 R C -0.622 175.651 176.300 -0.044 0.000 1.074 198 R CA -0.188 55.889 56.100 -0.038 0.000 1.105 198 R CB 0.852 31.113 30.300 -0.065 0.000 1.008 198 R HN 0.534 nan 8.270 nan 0.000 0.472 199 V N 4.322 124.210 119.914 -0.042 0.000 2.347 199 V HA 0.240 4.360 4.120 -0.000 0.000 0.280 199 V C -0.102 175.952 176.094 -0.068 0.000 1.021 199 V CA -0.479 61.798 62.300 -0.037 0.000 0.847 199 V CB 1.339 33.152 31.823 -0.016 0.000 0.990 199 V HN 0.716 nan 8.190 nan 0.000 0.444 200 M N 5.606 125.153 119.600 -0.088 0.000 2.206 200 M HA 0.588 5.068 4.480 -0.000 0.000 0.353 200 M C 0.323 176.599 176.300 -0.040 0.000 1.242 200 M CA -0.431 54.777 55.300 -0.154 0.000 1.179 200 M CB 0.428 32.861 32.600 -0.278 0.000 1.374 200 M HN 0.725 nan 8.290 nan 0.000 0.427 201 A N 4.326 127.132 122.820 -0.023 0.000 2.450 201 A HA 0.232 4.552 4.320 -0.000 0.000 0.255 201 A C -1.165 176.467 177.584 0.080 0.000 1.096 201 A CA -0.111 51.958 52.037 0.053 0.000 0.778 201 A CB -0.089 18.918 19.000 0.013 0.000 1.031 201 A HN 0.768 nan 8.150 nan 0.000 0.494 202 Y N 3.099 123.393 120.300 -0.011 0.000 2.640 202 Y HA 0.149 4.699 4.550 -0.000 0.000 0.355 202 Y C 1.528 177.416 175.900 -0.019 0.000 1.088 202 Y CA 0.304 58.405 58.100 0.002 0.000 1.443 202 Y CB 0.500 38.964 38.460 0.005 0.000 1.224 202 Y HN 0.743 nan 8.280 nan 0.000 0.516 203 S N 1.467 117.210 115.700 0.070 0.000 2.355 203 S HA 0.267 4.737 4.470 -0.000 0.000 0.216 203 S C 1.023 175.610 174.600 -0.022 0.000 1.037 203 S CA 0.567 58.774 58.200 0.012 0.000 0.955 203 S CB 0.082 63.264 63.200 -0.030 0.000 0.877 203 S HN 0.609 nan 8.310 nan 0.000 0.488 207 A N 2.185 125.086 122.820 0.136 0.000 2.899 207 A HA 0.446 4.766 4.320 -0.000 0.000 0.287 207 A C 0.257 177.861 177.584 0.033 0.000 1.715 207 A CA 0.515 52.592 52.037 0.066 0.000 1.393 207 A CB -0.498 18.504 19.000 0.004 0.000 1.070 207 A HN 0.460 nan 8.150 nan 0.000 0.587 208 S N 0.996 116.629 115.700 -0.112 0.000 2.651 208 S HA 0.611 5.081 4.470 -0.000 0.000 0.291 208 S C 1.017 175.422 174.600 -0.324 0.000 1.141 208 S CA 0.039 58.084 58.200 -0.259 0.000 1.027 208 S CB 1.452 64.316 63.200 -0.560 0.000 1.043 208 S HN 1.110 nan 8.310 nan 0.000 0.530 209 A N 2.526 125.204 122.820 -0.237 0.000 2.275 209 A HA 0.263 4.583 4.320 -0.000 0.000 0.212 209 A C 0.641 178.057 177.584 -0.280 0.000 1.201 209 A CA 0.237 52.125 52.037 -0.248 0.000 0.843 209 A CB -0.485 18.358 19.000 -0.261 0.000 0.873 209 A HN 0.853 nan 8.150 nan 0.000 0.492 210 Y N -1.754 118.389 120.300 -0.260 0.000 2.490 210 Y HA 0.026 4.576 4.550 -0.000 0.000 0.281 210 Y C 0.975 176.849 175.900 -0.044 0.000 1.174 210 Y CA 0.406 58.429 58.100 -0.128 0.000 1.295 210 Y CB -0.128 38.293 38.460 -0.066 0.000 1.062 210 Y HN 0.467 nan 8.280 nan 0.000 0.522 211 Y N -1.241 119.136 120.300 0.128 0.000 2.529 211 Y HA 0.152 4.702 4.550 -0.000 0.000 0.290 211 Y C 2.168 178.123 175.900 0.092 0.000 1.177 211 Y CA -0.330 57.807 58.100 0.060 0.000 1.305 211 Y CB -1.099 37.352 38.460 -0.014 0.000 1.047 211 Y HN 0.091 nan 8.280 nan 0.000 0.522 212 G N 1.928 110.834 108.800 0.176 0.000 2.628 212 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 212 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 212 G C -0.394 174.556 174.900 0.084 0.000 1.240 212 G CA 1.026 46.187 45.100 0.102 0.000 0.792 212 G HN 0.273 nan 8.290 nan 0.000 0.593 213 P HA -0.148 nan 4.420 nan 0.000 0.216 213 P C 1.668 178.934 177.300 -0.057 0.000 1.153 213 P CA 1.029 64.127 63.100 -0.002 0.000 0.858 213 P CB -0.179 31.530 31.700 0.016 0.000 0.789 214 F N 0.779 120.655 119.950 -0.123 0.000 2.171 214 F HA -0.172 4.355 4.527 -0.000 0.000 0.300 214 F C 2.081 177.763 175.800 -0.196 0.000 1.090 214 F CA 1.476 59.375 58.000 -0.167 0.000 1.293 214 F CB -0.366 38.594 39.000 -0.066 0.000 1.013 214 F HN -0.262 nan 8.300 nan 0.000 0.486 215 R N 0.244 120.789 120.500 0.076 0.000 2.115 215 R HA -0.133 4.207 4.340 -0.000 0.000 0.230 215 R C 1.813 178.009 176.300 -0.174 0.000 1.111 215 R CA 1.432 57.514 56.100 -0.031 0.000 0.976 215 R CB -0.540 29.810 30.300 0.084 0.000 0.870 215 R HN 0.337 nan 8.270 nan 0.000 0.445 216 D N 0.809 121.106 120.400 -0.172 0.000 2.097 216 D HA -0.111 4.529 4.640 -0.000 0.000 0.197 216 D C 1.871 177.959 176.300 -0.354 0.000 0.984 216 D CA 1.509 55.384 54.000 -0.208 0.000 0.826 216 D CB -0.264 40.438 40.800 -0.163 0.000 0.973 216 D HN 0.217 nan 8.370 nan 0.000 0.460 217 A N 0.922 123.407 122.820 -0.559 0.000 1.902 217 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 217 A C 2.379 179.451 177.584 -0.853 0.000 1.181 217 A CA 2.052 53.533 52.037 -0.928 0.000 0.623 217 A CB -0.697 17.243 19.000 -1.765 0.000 0.818 217 A HN 0.253 nan 8.150 nan 0.000 0.443 218 V N -3.621 115.819 119.914 -0.791 0.000 3.541 218 V HA 0.468 4.588 4.120 -0.000 0.000 0.267 218 V C 1.420 177.321 176.094 -0.322 0.000 1.213 218 V CA 0.895 62.890 62.300 -0.507 0.000 1.149 218 V CB -0.885 30.600 31.823 -0.563 0.000 0.822 218 V HN 1.612 nan 8.190 nan 0.000 0.462 219 G N 1.297 109.918 108.800 -0.299 0.000 2.147 219 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.244 219 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.244 219 G C 0.813 175.618 174.900 -0.157 0.000 1.005 219 G CA 1.003 45.985 45.100 -0.197 0.000 0.713 219 G HN 1.346 nan 8.290 nan 0.000 0.515 220 S N -1.319 114.285 115.700 -0.160 0.000 2.524 220 S HA 0.534 5.004 4.470 -0.000 0.000 0.216 220 S C 2.451 177.020 174.600 -0.051 0.000 0.987 220 S CA 1.035 59.177 58.200 -0.097 0.000 0.909 220 S CB 0.317 63.474 63.200 -0.071 0.000 0.781 220 S HN 1.610 nan 8.310 nan 0.000 0.521 221 A N 2.742 125.526 122.820 -0.059 0.000 1.902 221 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 221 A C 2.507 180.079 177.584 -0.020 0.000 1.181 221 A CA 2.000 54.021 52.037 -0.027 0.000 0.623 221 A CB -1.247 17.730 19.000 -0.040 0.000 0.818 221 A HN 0.822 nan 8.150 nan 0.000 0.443 222 S N 0.077 115.757 115.700 -0.034 0.000 2.428 222 S HA -0.125 4.345 4.470 -0.000 0.000 0.230 222 S C 1.524 176.118 174.600 -0.011 0.000 1.014 222 S CA 1.264 59.451 58.200 -0.023 0.000 0.957 222 S CB -0.695 62.486 63.200 -0.031 0.000 0.784 222 S HN 0.619 nan 8.310 nan 0.000 0.499 223 N N 1.572 120.261 118.700 -0.017 0.000 2.142 223 N HA 0.066 4.806 4.740 -0.000 0.000 0.186 223 N C 1.609 177.138 175.510 0.030 0.000 1.023 223 N CA 1.138 54.185 53.050 -0.005 0.000 0.852 223 N CB -0.426 38.041 38.487 -0.033 0.000 0.998 223 N HN 0.281 nan 8.380 nan 0.000 0.424 224 L N 0.117 121.361 121.223 0.035 0.000 2.056 224 L HA 0.092 4.432 4.340 -0.000 0.000 0.207 224 L C 1.347 178.248 176.870 0.052 0.000 1.078 224 L CA 1.625 56.502 54.840 0.062 0.000 0.749 224 L CB -1.026 41.071 42.059 0.063 0.000 0.901 224 L HN 0.336 nan 8.230 nan 0.000 0.433 225 G N -0.605 108.214 108.800 0.032 0.000 2.591 225 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.298 225 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.298 225 G C 0.906 175.822 174.900 0.026 0.000 1.195 225 G CA 0.420 45.535 45.100 0.025 0.000 0.989 225 G HN 0.230 nan 8.290 nan 0.000 0.551 226 K N 2.354 122.769 120.400 0.025 0.000 2.444 226 K HA 0.222 4.542 4.320 -0.000 0.000 0.193 226 K C 1.582 178.200 176.600 0.029 0.000 1.024 226 K CA 0.784 57.084 56.287 0.022 0.000 1.077 226 K CB -0.196 32.314 32.500 0.017 0.000 0.833 226 K HN 0.778 nan 8.250 nan 0.000 0.517 227 G N 2.103 110.928 108.800 0.041 0.000 2.664 227 G HA2 0.084 4.044 3.960 -0.000 0.000 0.242 227 G HA3 0.084 4.044 3.960 -0.000 0.000 0.242 227 G C 0.025 174.952 174.900 0.044 0.000 1.225 227 G CA -0.296 44.833 45.100 0.049 0.000 0.849 227 G HN 0.415 nan 8.290 nan 0.000 0.581 228 N N -2.043 116.680 118.700 0.039 0.000 2.697 228 N HA 0.479 5.219 4.740 -0.000 0.000 0.272 228 N C -0.465 175.027 175.510 -0.029 0.000 1.381 228 N CA -1.034 52.022 53.050 0.010 0.000 0.797 228 N CB 1.845 40.335 38.487 0.005 0.000 1.523 228 N HN 0.336 nan 8.380 nan 0.000 0.518 229 K N -0.501 119.812 120.400 -0.145 0.000 2.646 229 K HA 0.362 4.682 4.320 -0.000 0.000 0.206 229 K C 0.169 176.495 176.600 -0.457 0.000 1.069 229 K CA -0.256 55.737 56.287 -0.491 0.000 1.067 229 K CB 0.949 33.007 32.500 -0.736 0.000 0.807 229 K HN 0.588 nan 8.250 nan 0.000 0.482 230 A N 1.239 123.967 122.820 -0.153 0.000 2.172 230 A HA -0.099 4.220 4.320 -0.000 0.000 0.216 230 A C 2.075 179.662 177.584 0.005 0.000 1.154 230 A CA 1.581 53.581 52.037 -0.061 0.000 0.701 230 A CB -0.597 18.404 19.000 0.001 0.000 0.789 230 A HN 0.368 nan 8.150 nan 0.000 0.465 231 T N -3.946 110.652 114.554 0.074 0.000 3.129 231 T HA 0.125 4.475 4.350 -0.000 0.000 0.251 231 T C 1.099 175.978 174.700 0.298 0.000 1.117 231 T CA 1.051 63.294 62.100 0.237 0.000 1.034 231 T CB -0.396 68.726 68.868 0.422 0.000 0.968 231 T HN 0.763 nan 8.240 nan 0.000 0.526 232 Y N -0.784 119.538 120.300 0.036 0.000 2.965 232 Y HA 0.492 5.042 4.550 -0.000 0.000 0.242 232 Y C 0.688 176.587 175.900 -0.003 0.000 1.078 232 Y CA -1.164 56.940 58.100 0.006 0.000 1.288 232 Y CB -0.102 38.337 38.460 -0.034 0.000 1.459 232 Y HN 0.041 nan 8.280 nan 0.000 0.438 233 Q N 2.144 121.780 119.800 -0.273 0.000 2.395 233 Q HA 0.227 4.567 4.340 -0.000 0.000 0.271 233 Q C -0.455 175.488 176.000 -0.096 0.000 1.026 233 Q CA 0.152 55.857 55.803 -0.164 0.000 0.900 233 Q CB 0.936 29.551 28.738 -0.204 0.000 1.266 233 Q HN 0.354 nan 8.270 nan 0.000 0.430 234 M N 1.538 121.055 119.600 -0.137 0.000 2.242 234 M HA 0.022 4.502 4.480 -0.000 0.000 0.344 234 M C 0.066 176.411 176.300 0.075 0.000 1.140 234 M CA -0.306 54.906 55.300 -0.148 0.000 1.160 234 M CB 0.548 32.809 32.600 -0.565 0.000 1.491 234 M HN 0.533 nan 8.290 nan 0.000 0.459 235 D N 3.603 124.087 120.400 0.140 0.000 2.401 235 D HA 0.087 4.727 4.640 -0.000 0.000 0.254 235 D C -1.842 174.707 176.300 0.414 0.000 1.192 235 D CA -1.671 52.457 54.000 0.213 0.000 0.885 235 D CB 1.169 42.056 40.800 0.144 0.000 1.147 235 D HN 0.222 nan 8.370 nan 0.000 0.478 236 P HA -0.159 nan 4.420 nan 0.000 0.217 236 P C 0.748 178.169 177.300 0.202 0.000 1.148 236 P CA 1.524 64.810 63.100 0.310 0.000 0.834 236 P CB 0.170 31.998 31.700 0.214 0.000 0.783 237 A N -2.005 120.923 122.820 0.180 0.000 2.209 237 A HA -0.044 4.276 4.320 -0.000 0.000 0.212 237 A C 0.718 178.399 177.584 0.161 0.000 1.158 237 A CA 0.745 52.857 52.037 0.124 0.000 0.742 237 A CB -0.767 18.289 19.000 0.094 0.000 0.790 237 A HN 0.179 nan 8.150 nan 0.000 0.472 238 N N -0.839 118.021 118.700 0.266 0.000 2.424 238 N HA 0.377 5.117 4.740 -0.000 0.000 0.271 238 N C 0.400 176.111 175.510 0.335 0.000 0.985 238 N CA 0.149 53.355 53.050 0.261 0.000 0.921 238 N CB 1.729 40.353 38.487 0.227 0.000 1.149 238 N HN 0.113 nan 8.380 nan 0.000 0.492 239 S N 1.434 117.276 115.700 0.237 0.000 2.748 239 S HA 0.034 4.504 4.470 -0.000 0.000 0.241 239 S C 0.833 175.557 174.600 0.206 0.000 1.064 239 S CA 0.278 58.618 58.200 0.233 0.000 0.892 239 S CB -0.001 63.294 63.200 0.159 0.000 0.810 239 S HN 0.396 nan 8.310 nan 0.000 0.555 240 D N 1.807 122.312 120.400 0.175 0.000 2.158 240 D HA -0.134 4.506 4.640 -0.000 0.000 0.197 240 D C 1.789 178.248 176.300 0.265 0.000 0.995 240 D CA 1.148 55.259 54.000 0.185 0.000 0.846 240 D CB -0.370 40.539 40.800 0.182 0.000 0.941 240 D HN 0.656 nan 8.370 nan 0.000 0.456 241 E N 0.257 120.609 120.200 0.253 0.000 2.204 241 E HA -0.143 4.206 4.350 -0.000 0.000 0.195 241 E C 1.913 178.640 176.600 0.211 0.000 0.990 241 E CA 0.830 57.382 56.400 0.253 0.000 0.821 241 E CB 0.040 29.830 29.700 0.149 0.000 0.750 241 E HN 0.186 nan 8.360 nan 0.000 0.477 242 A N 0.914 123.844 122.820 0.183 0.000 1.972 242 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 242 A C 2.123 179.797 177.584 0.150 0.000 1.169 242 A CA 0.955 53.075 52.037 0.138 0.000 0.635 242 A CB -0.488 18.637 19.000 0.208 0.000 0.810 242 A HN 0.299 nan 8.150 nan 0.000 0.446 243 L N -1.487 119.846 121.223 0.183 0.000 2.093 243 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 243 L C 2.562 179.507 176.870 0.124 0.000 1.085 243 L CA 1.126 56.106 54.840 0.234 0.000 0.755 243 L CB -0.806 41.311 42.059 0.097 0.000 0.904 243 L HN 0.474 nan 8.230 nan 0.000 0.435 244 H N -0.246 118.917 119.070 0.155 0.000 2.423 244 H HA -0.095 4.461 4.556 -0.000 0.000 0.297 244 H C 2.148 177.496 175.328 0.034 0.000 1.075 244 H CA 1.021 57.129 56.048 0.100 0.000 1.342 244 H CB 0.234 30.041 29.762 0.077 0.000 1.395 244 H HN 0.340 nan 8.280 nan 0.000 0.530 245 E N 0.601 120.871 120.200 0.116 0.000 2.028 245 E HA -0.087 4.263 4.350 -0.000 0.000 0.191 245 E C 2.580 179.144 176.600 -0.060 0.000 0.988 245 E CA 0.506 56.921 56.400 0.026 0.000 0.799 245 E CB -0.232 29.468 29.700 0.001 0.000 0.755 245 E HN 0.183 nan 8.360 nan 0.000 0.447 246 V N 1.640 121.471 119.914 -0.137 0.000 2.358 246 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 246 V C 2.461 178.244 176.094 -0.518 0.000 1.047 246 V CA 1.709 63.798 62.300 -0.351 0.000 1.035 246 V CB -0.850 30.665 31.823 -0.513 0.000 0.658 246 V HN 0.241 nan 8.190 nan 0.000 0.452 247 A N 0.071 122.611 122.820 -0.468 0.000 1.908 247 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 247 A C 2.405 179.922 177.584 -0.112 0.000 1.181 247 A CA 2.286 54.166 52.037 -0.262 0.000 0.627 247 A CB -0.760 18.296 19.000 0.093 0.000 0.818 247 A HN 0.583 nan 8.150 nan 0.000 0.445 248 A N -0.350 122.436 122.820 -0.057 0.000 1.930 248 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 248 A C 1.747 179.305 177.584 -0.043 0.000 1.175 248 A CA 1.764 53.790 52.037 -0.018 0.000 0.627 248 A CB -0.466 18.543 19.000 0.015 0.000 0.815 248 A HN 0.443 nan 8.150 nan 0.000 0.443 249 D N -0.008 120.346 120.400 -0.077 0.000 2.183 249 D HA -0.055 4.585 4.640 -0.000 0.000 0.203 249 D C 1.938 178.195 176.300 -0.072 0.000 0.969 249 D CA 0.720 54.682 54.000 -0.065 0.000 0.842 249 D CB -0.241 40.518 40.800 -0.068 0.000 0.957 249 D HN 0.438 nan 8.370 nan 0.000 0.484 250 L N 0.675 121.829 121.223 -0.116 0.000 2.027 250 L HA -0.137 4.203 4.340 -0.000 0.000 0.206 250 L C 2.540 179.389 176.870 -0.035 0.000 1.074 250 L CA 1.183 55.973 54.840 -0.085 0.000 0.745 250 L CB -0.459 41.523 42.059 -0.129 0.000 0.898 250 L HN -0.023 nan 8.230 nan 0.000 0.433 251 A N -0.032 122.772 122.820 -0.026 0.000 1.908 251 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 251 A C 2.073 179.656 177.584 -0.002 0.000 1.181 251 A CA 1.858 53.895 52.037 -0.000 0.000 0.627 251 A CB -0.506 18.502 19.000 0.012 0.000 0.818 251 A HN 0.504 nan 8.150 nan 0.000 0.445 252 E N -1.932 118.262 120.200 -0.010 0.000 2.482 252 E HA 0.215 4.565 4.350 -0.000 0.000 0.196 252 E C 1.091 177.687 176.600 -0.007 0.000 1.047 252 E CA 0.350 56.746 56.400 -0.006 0.000 0.869 252 E CB -0.079 29.617 29.700 -0.007 0.000 0.836 252 E HN 0.790 nan 8.360 nan 0.000 0.520 253 G N 0.694 109.488 108.800 -0.010 0.000 2.183 253 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.168 253 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.168 253 G C 0.289 175.183 174.900 -0.011 0.000 1.008 253 G CA -0.244 44.852 45.100 -0.007 0.000 0.677 253 G HN 0.410 nan 8.290 nan 0.000 0.498 254 A N 0.280 123.088 122.820 -0.020 0.000 2.498 254 A HA 0.512 4.832 4.320 -0.000 0.000 0.239 254 A C 1.132 178.703 177.584 -0.022 0.000 1.068 254 A CA 0.974 52.996 52.037 -0.026 0.000 0.766 254 A CB 0.298 19.277 19.000 -0.035 0.000 1.003 254 A HN 0.224 nan 8.150 nan 0.000 0.497 255 D N 0.722 121.105 120.400 -0.029 0.000 2.301 255 D HA 0.141 4.781 4.640 -0.000 0.000 0.206 255 D C -0.145 176.149 176.300 -0.009 0.000 0.979 255 D CA 1.221 55.210 54.000 -0.018 0.000 0.874 255 D CB 0.171 40.954 40.800 -0.029 0.000 0.968 255 D HN 0.583 nan 8.370 nan 0.000 0.510 256 M N 0.039 119.611 119.600 -0.045 0.000 2.531 256 M HA 0.279 4.759 4.480 -0.000 0.000 0.286 256 M C -0.913 175.375 176.300 -0.021 0.000 1.232 256 M CA -0.981 54.309 55.300 -0.016 0.000 0.877 256 M CB 3.475 35.899 32.600 -0.294 0.000 1.726 256 M HN -0.272 nan 8.290 nan 0.000 0.463 257 V N -0.366 119.591 119.914 0.072 0.000 2.656 257 V HA 0.836 4.956 4.120 -0.000 0.000 0.307 257 V C -0.996 175.144 176.094 0.077 0.000 1.051 257 V CA -0.640 61.676 62.300 0.026 0.000 0.893 257 V CB 2.031 33.838 31.823 -0.027 0.000 0.999 257 V HN 1.012 nan 8.190 nan 0.000 0.426 258 M N 4.035 123.638 119.600 0.005 0.000 2.395 258 M HA 0.753 5.233 4.480 -0.000 0.000 0.307 258 M C -1.391 174.913 176.300 0.006 0.000 1.091 258 M CA -0.496 54.796 55.300 -0.014 0.000 0.919 258 M CB 2.253 34.722 32.600 -0.218 0.000 1.662 258 M HN 0.721 nan 8.290 nan 0.000 0.440 262 G N -0.458 108.529 108.800 0.311 0.000 2.651 262 G HA2 0.044 4.003 3.960 -0.000 0.000 0.226 262 G HA3 0.044 4.003 3.960 -0.000 0.000 0.226 262 G C 1.086 176.307 174.900 0.535 0.000 1.542 262 G CA 0.602 45.947 45.100 0.407 0.000 0.868 262 G HN 0.565 nan 8.290 nan 0.000 0.588 263 M N 1.353 121.232 119.600 0.464 0.000 2.082 263 M HA -0.041 4.439 4.480 -0.000 0.000 0.258 263 M C -0.615 175.678 176.300 -0.012 0.000 1.069 263 M CA 1.657 57.036 55.300 0.131 0.000 1.102 263 M CB -0.708 31.916 32.600 0.041 0.000 1.336 263 M HN 0.106 nan 8.290 nan 0.000 0.404 264 P HA -0.078 nan 4.420 nan 0.000 0.239 264 P C -0.484 176.382 177.300 -0.722 0.000 1.184 264 P CA 1.236 64.105 63.100 -0.385 0.000 0.760 264 P CB -0.238 31.175 31.700 -0.477 0.000 0.884 265 Y N -2.301 117.975 120.300 -0.040 0.000 2.742 265 Y HA 0.277 4.827 4.550 -0.000 0.000 0.248 265 Y C 1.551 177.481 175.900 0.051 0.000 1.132 265 Y CA -0.311 57.766 58.100 -0.039 0.000 1.142 265 Y CB -0.361 38.065 38.460 -0.057 0.000 1.222 265 Y HN -0.219 nan 8.280 nan 0.000 0.575 266 L N 0.617 121.909 121.223 0.114 0.000 2.131 266 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 266 L C 2.086 179.010 176.870 0.091 0.000 1.092 266 L CA 1.706 56.617 54.840 0.120 0.000 0.759 266 L CB -0.185 41.896 42.059 0.037 0.000 0.903 266 L HN 0.439 nan 8.230 nan 0.000 0.435 267 D N 0.367 120.801 120.400 0.056 0.000 2.178 267 D HA -0.208 4.431 4.640 -0.000 0.000 0.201 267 D C 2.020 178.382 176.300 0.103 0.000 0.980 267 D CA 1.110 55.142 54.000 0.054 0.000 0.842 267 D CB -0.179 40.635 40.800 0.023 0.000 0.948 267 D HN 0.237 nan 8.370 nan 0.000 0.472 268 I N 1.282 121.949 120.570 0.162 0.000 2.202 268 I HA -0.184 3.986 4.170 -0.000 0.000 0.242 268 I C 2.837 179.065 176.117 0.186 0.000 1.091 268 I CA 0.398 61.828 61.300 0.216 0.000 1.368 268 I CB -1.236 36.965 38.000 0.336 0.000 1.058 268 I HN -0.038 nan 8.210 nan 0.000 0.410 269 V N 1.332 121.354 119.914 0.180 0.000 2.252 269 V HA -0.327 3.793 4.120 -0.000 0.000 0.249 269 V C 2.790 178.951 176.094 0.113 0.000 1.056 269 V CA 2.268 64.656 62.300 0.146 0.000 1.022 269 V CB -0.941 30.976 31.823 0.156 0.000 0.641 269 V HN 0.317 nan 8.190 nan 0.000 0.445 270 R N 0.521 121.077 120.500 0.094 0.000 2.080 270 R HA -0.153 4.187 4.340 -0.000 0.000 0.236 270 R C 2.434 178.771 176.300 0.063 0.000 1.137 270 R CA 1.888 58.025 56.100 0.062 0.000 0.943 270 R CB -0.588 29.736 30.300 0.039 0.000 0.846 270 R HN 0.467 nan 8.270 nan 0.000 0.431 271 R N -0.587 119.958 120.500 0.076 0.000 2.091 271 R HA -0.106 4.234 4.340 -0.000 0.000 0.238 271 R C 2.262 178.620 176.300 0.097 0.000 1.136 271 R CA 1.683 57.825 56.100 0.069 0.000 0.959 271 R CB -0.576 29.776 30.300 0.087 0.000 0.856 271 R HN 0.123 nan 8.270 nan 0.000 0.437 272 V N 1.433 121.447 119.914 0.168 0.000 2.307 272 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 272 V C 2.318 178.561 176.094 0.248 0.000 1.045 272 V CA 1.865 64.337 62.300 0.287 0.000 1.024 272 V CB -0.429 31.536 31.823 0.237 0.000 0.651 272 V HN 0.194 nan 8.190 nan 0.000 0.449 273 K N 0.680 121.164 120.400 0.140 0.000 2.032 273 K HA -0.209 4.111 4.320 -0.000 0.000 0.209 273 K C 1.757 178.392 176.600 0.058 0.000 1.048 273 K CA 2.034 58.377 56.287 0.093 0.000 0.927 273 K CB -0.716 31.816 32.500 0.053 0.000 0.712 273 K HN 0.439 nan 8.250 nan 0.000 0.441 274 D N -0.024 120.392 120.400 0.027 0.000 2.097 274 D HA -0.152 4.488 4.640 -0.000 0.000 0.195 274 D C 1.876 178.130 176.300 -0.078 0.000 0.989 274 D CA 1.342 55.333 54.000 -0.015 0.000 0.827 274 D CB -0.183 40.606 40.800 -0.019 0.000 0.966 274 D HN 0.360 nan 8.370 nan 0.000 0.456 275 E N -0.486 119.619 120.200 -0.157 0.000 2.028 275 E HA -0.075 4.275 4.350 -0.000 0.000 0.190 275 E C 1.610 177.912 176.600 -0.498 0.000 0.984 275 E CA 1.069 57.206 56.400 -0.438 0.000 0.800 275 E CB -0.271 28.958 29.700 -0.786 0.000 0.758 275 E HN 0.248 nan 8.360 nan 0.000 0.448 276 F N -0.044 119.912 119.950 0.010 0.000 2.656 276 F HA 0.367 4.894 4.527 -0.000 0.000 0.291 276 F C 0.509 176.317 175.800 0.014 0.000 1.122 276 F CA 0.212 58.219 58.000 0.011 0.000 1.427 276 F CB 0.098 39.107 39.000 0.015 0.000 1.125 276 F HN -0.180 nan 8.300 nan 0.000 0.583 277 R N 0.104 120.692 120.500 0.146 0.000 3.322 277 R HA -0.153 4.187 4.340 -0.000 0.000 0.253 277 R C -0.270 176.092 176.300 0.104 0.000 0.987 277 R CA 0.321 56.476 56.100 0.092 0.000 0.666 277 R CB -2.018 28.314 30.300 0.052 0.000 1.072 277 R HN 0.257 nan 8.270 nan 0.000 0.447 278 A N 0.350 123.248 122.820 0.131 0.000 2.322 278 A HA 0.739 5.059 4.320 -0.000 0.000 0.327 278 A C -2.448 175.190 177.584 0.090 0.000 1.134 278 A CA -1.940 50.161 52.037 0.107 0.000 0.831 278 A CB 0.892 19.958 19.000 0.110 0.000 1.288 278 A HN -0.077 nan 8.150 nan 0.000 0.472 279 P HA 0.170 nan 4.420 nan 0.000 0.261 279 P C -0.613 176.803 177.300 0.193 0.000 1.203 279 P CA 0.834 64.022 63.100 0.146 0.000 0.767 279 P CB 0.336 32.188 31.700 0.254 0.000 0.785 280 T N 4.527 119.074 114.554 -0.011 0.000 2.807 280 T HA 0.597 4.947 4.350 -0.000 0.000 0.279 280 T C -0.473 174.064 174.700 -0.271 0.000 0.993 280 T CA -0.094 62.010 62.100 0.006 0.000 0.970 280 T CB 0.392 69.263 68.868 0.004 0.000 0.950 280 T HN 0.020 nan 8.240 nan 0.000 0.441 281 F N 1.357 121.259 119.950 -0.078 0.000 2.561 281 F HA 0.778 5.305 4.527 -0.000 0.000 0.321 281 F C -0.099 175.609 175.800 -0.153 0.000 1.065 281 F CA -1.057 56.860 58.000 -0.138 0.000 0.934 281 F CB 1.874 40.765 39.000 -0.182 0.000 1.215 281 F HN 0.277 nan 8.300 nan 0.000 0.471 282 V N 2.434 122.288 119.914 -0.100 0.000 2.808 282 V HA 0.469 4.589 4.120 -0.000 0.000 0.308 282 V C -2.016 173.920 176.094 -0.262 0.000 1.099 282 V CA -0.691 61.504 62.300 -0.175 0.000 0.920 282 V CB 1.949 33.617 31.823 -0.259 0.000 1.014 282 V HN 0.596 nan 8.190 nan 0.000 0.425 283 Y N 4.717 124.878 120.300 -0.233 0.000 2.367 283 Y HA 0.439 4.989 4.550 -0.000 0.000 0.342 283 Y C 0.428 176.235 175.900 -0.154 0.000 0.979 283 Y CA -0.075 57.907 58.100 -0.197 0.000 1.161 283 Y CB 1.478 39.883 38.460 -0.093 0.000 1.155 283 Y HN 0.712 nan 8.280 nan 0.000 0.503 284 Q N 6.590 126.432 119.800 0.069 0.000 2.423 284 Q HA 0.397 4.737 4.340 -0.000 0.000 0.235 284 Q C -0.570 175.732 176.000 0.504 0.000 1.100 284 Q CA -0.609 55.349 55.803 0.257 0.000 0.908 284 Q CB 0.227 29.126 28.738 0.269 0.000 1.312 284 Q HN 0.672 nan 8.270 nan 0.000 0.497 285 V N 1.263 121.457 119.914 0.468 0.000 3.319 285 V HA 0.133 4.253 4.120 -0.000 0.000 0.303 285 V C 1.470 177.874 176.094 0.516 0.000 1.094 285 V CA 0.458 63.032 62.300 0.456 0.000 1.106 285 V CB 1.107 33.090 31.823 0.267 0.000 1.099 285 V HN 0.898 nan 8.190 nan 0.000 0.476 286 S N 1.599 117.555 115.700 0.426 0.000 2.380 286 S HA -0.164 4.306 4.470 -0.000 0.000 0.229 286 S C 1.883 176.628 174.600 0.240 0.000 1.043 286 S CA 1.744 60.026 58.200 0.136 0.000 1.038 286 S CB -1.541 61.687 63.200 0.048 0.000 0.872 286 S HN 1.620 nan 8.310 nan 0.000 0.456 287 G N 1.163 110.140 108.800 0.295 0.000 2.422 287 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.218 287 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.218 287 G C 1.374 176.494 174.900 0.366 0.000 1.140 287 G CA 0.701 45.997 45.100 0.327 0.000 0.775 287 G HN 0.678 nan 8.290 nan 0.000 0.545 288 E N -0.665 119.752 120.200 0.361 0.000 2.077 288 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 288 E C 2.042 178.952 176.600 0.518 0.000 0.989 288 E CA 1.035 57.669 56.400 0.390 0.000 0.800 288 E CB -0.265 29.653 29.700 0.364 0.000 0.746 288 E HN 0.585 nan 8.360 nan 0.000 0.452 289 Y N 1.349 121.828 120.300 0.299 0.000 2.114 289 Y HA -0.223 4.327 4.550 -0.000 0.000 0.284 289 Y C 2.288 178.273 175.900 0.142 0.000 1.143 289 Y CA 1.598 59.767 58.100 0.116 0.000 1.135 289 Y CB -0.446 37.944 38.460 -0.116 0.000 0.980 289 Y HN -0.012 nan 8.280 nan 0.000 0.499 290 A N 1.621 124.583 122.820 0.237 0.000 1.908 290 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 290 A C 2.398 180.024 177.584 0.070 0.000 1.181 290 A CA 2.468 54.578 52.037 0.121 0.000 0.627 290 A CB -1.144 17.947 19.000 0.153 0.000 0.818 290 A HN 0.761 nan 8.150 nan 0.000 0.445 291 M N -1.878 117.807 119.600 0.141 0.000 2.175 291 M HA -0.155 4.325 4.480 -0.000 0.000 0.264 291 M C 1.934 178.248 176.300 0.023 0.000 1.063 291 M CA 2.332 57.682 55.300 0.083 0.000 1.119 291 M CB -0.931 31.729 32.600 0.100 0.000 1.377 291 M HN 0.395 nan 8.290 nan 0.000 0.415 292 H N 0.256 119.387 119.070 0.102 0.000 2.326 292 H HA -0.034 4.522 4.556 -0.000 0.000 0.301 292 H C 2.052 177.406 175.328 0.044 0.000 1.081 292 H CA 2.344 58.454 56.048 0.104 0.000 1.334 292 H CB -0.246 29.639 29.762 0.204 0.000 1.385 292 H HN 0.364 nan 8.280 nan 0.000 0.504 293 M N 0.223 119.875 119.600 0.088 0.000 2.175 293 M HA -0.003 4.477 4.480 -0.000 0.000 0.264 293 M C 2.322 178.590 176.300 -0.054 0.000 1.063 293 M CA 1.568 56.842 55.300 -0.043 0.000 1.119 293 M CB -0.534 31.862 32.600 -0.341 0.000 1.377 293 M HN 0.296 nan 8.290 nan 0.000 0.415 294 G N -0.906 107.856 108.800 -0.063 0.000 2.404 294 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.215 294 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.215 294 G C 1.550 176.326 174.900 -0.206 0.000 1.174 294 G CA 0.909 45.938 45.100 -0.118 0.000 0.780 294 G HN 0.633 nan 8.290 nan 0.000 0.537 295 A N 0.619 123.375 122.820 -0.106 0.000 1.933 295 A HA 0.076 4.396 4.320 -0.000 0.000 0.218 295 A C 2.397 179.927 177.584 -0.090 0.000 1.175 295 A CA 1.236 53.229 52.037 -0.072 0.000 0.628 295 A CB -0.333 18.738 19.000 0.119 0.000 0.814 295 A HN 0.374 nan 8.150 nan 0.000 0.444 296 I N -0.510 120.037 120.570 -0.038 0.000 2.179 296 I HA -0.313 3.857 4.170 -0.000 0.000 0.242 296 I C 2.749 178.820 176.117 -0.076 0.000 1.088 296 I CA 1.540 62.825 61.300 -0.024 0.000 1.357 296 I CB -0.400 37.607 38.000 0.011 0.000 1.051 296 I HN 0.410 nan 8.210 nan 0.000 0.409 297 Q N 0.371 120.107 119.800 -0.107 0.000 2.170 297 Q HA -0.182 4.158 4.340 -0.000 0.000 0.203 297 Q C 1.565 177.438 176.000 -0.212 0.000 0.976 297 Q CA 1.159 56.887 55.803 -0.125 0.000 0.858 297 Q CB -0.206 28.469 28.738 -0.105 0.000 0.907 297 Q HN 0.488 nan 8.270 nan 0.000 0.433 298 N N -0.507 117.956 118.700 -0.395 0.000 2.515 298 N HA -0.004 4.736 4.740 -0.000 0.000 0.185 298 N C 0.815 176.073 175.510 -0.420 0.000 1.109 298 N CA 0.998 53.659 53.050 -0.649 0.000 0.903 298 N CB 0.424 37.946 38.487 -1.608 0.000 0.969 298 N HN 0.395 nan 8.380 nan 0.000 0.450 299 G N -0.580 108.107 108.800 -0.189 0.000 2.153 299 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.252 299 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.252 299 G C 0.525 175.545 174.900 0.200 0.000 0.994 299 G CA 0.350 45.456 45.100 0.010 0.000 0.698 299 G HN 0.300 nan 8.290 nan 0.000 0.521 300 W N -1.175 120.123 121.300 -0.003 0.000 2.640 300 W HA 0.595 5.255 4.660 -0.000 0.000 0.268 300 W C 0.734 177.246 176.519 -0.013 0.000 1.263 300 W CA -0.141 57.198 57.345 -0.010 0.000 1.344 300 W CB -0.121 29.330 29.460 -0.014 0.000 1.093 300 W HN 0.194 nan 8.180 nan 0.000 0.603 301 L N -0.551 120.791 121.223 0.200 0.000 2.388 301 L HA 0.634 4.974 4.340 -0.000 0.000 0.264 301 L C 0.215 177.124 176.870 0.065 0.000 0.998 301 L CA -1.857 53.048 54.840 0.110 0.000 0.817 301 L CB 0.894 43.010 42.059 0.095 0.000 1.338 301 L HN -0.196 nan 8.230 nan 0.000 0.414 302 A N 1.474 124.319 122.820 0.042 0.000 2.386 302 A HA 0.278 4.598 4.320 -0.000 0.000 0.248 302 A C 1.001 178.585 177.584 0.001 0.000 1.082 302 A CA -0.148 51.901 52.037 0.020 0.000 0.789 302 A CB 0.130 19.137 19.000 0.011 0.000 1.025 302 A HN 0.805 nan 8.150 nan 0.000 0.490 303 E N 0.994 121.187 120.200 -0.011 0.000 2.463 303 E HA -0.138 4.212 4.350 -0.000 0.000 0.201 303 E C 1.946 178.503 176.600 -0.072 0.000 1.045 303 E CA 1.244 57.620 56.400 -0.041 0.000 0.872 303 E CB -0.070 29.615 29.700 -0.025 0.000 0.797 303 E HN 0.836 nan 8.360 nan 0.000 0.538 304 S N 0.045 115.716 115.700 -0.049 0.000 2.481 304 S HA -0.105 4.365 4.470 -0.000 0.000 0.231 304 S C 2.211 176.767 174.600 -0.074 0.000 0.996 304 S CA 0.936 59.101 58.200 -0.058 0.000 0.942 304 S CB -0.624 62.555 63.200 -0.035 0.000 0.768 304 S HN 0.197 nan 8.310 nan 0.000 0.520 305 V N 0.163 120.043 119.914 -0.056 0.000 2.594 305 V HA -0.078 4.042 4.120 -0.000 0.000 0.253 305 V C 2.147 178.142 176.094 -0.164 0.000 1.069 305 V CA 1.349 63.626 62.300 -0.037 0.000 1.082 305 V CB -1.215 30.667 31.823 0.098 0.000 0.680 305 V HN 0.523 nan 8.190 nan 0.000 0.469 306 I N -0.212 120.184 120.570 -0.290 0.000 2.113 306 I HA -0.200 3.970 4.170 -0.000 0.000 0.238 306 I C 2.528 178.446 176.117 -0.332 0.000 1.070 306 I CA 2.087 63.064 61.300 -0.539 0.000 1.332 306 I CB -0.480 37.089 38.000 -0.718 0.000 1.044 306 I HN 0.381 nan 8.210 nan 0.000 0.402 307 L N 1.014 122.114 121.223 -0.205 0.000 2.017 307 L HA -0.240 4.100 4.340 -0.000 0.000 0.208 307 L C 2.469 179.268 176.870 -0.117 0.000 1.073 307 L CA 1.935 56.700 54.840 -0.125 0.000 0.745 307 L CB -0.720 41.288 42.059 -0.084 0.000 0.894 307 L HN 0.247 nan 8.230 nan 0.000 0.432 308 E N -0.759 119.370 120.200 -0.119 0.000 2.070 308 E HA -0.274 4.076 4.350 -0.000 0.000 0.197 308 E C 2.206 178.711 176.600 -0.158 0.000 1.004 308 E CA 1.707 58.041 56.400 -0.110 0.000 0.805 308 E CB -0.183 29.471 29.700 -0.078 0.000 0.744 308 E HN 0.729 nan 8.360 nan 0.000 0.451 309 S N 0.026 115.607 115.700 -0.197 0.000 2.399 309 S HA -0.121 4.349 4.470 -0.000 0.000 0.231 309 S C 2.000 176.379 174.600 -0.368 0.000 1.022 309 S CA 0.886 58.914 58.200 -0.286 0.000 0.983 309 S CB -0.322 62.666 63.200 -0.353 0.000 0.803 309 S HN 0.305 nan 8.310 nan 0.000 0.480 310 L N 0.669 121.797 121.223 -0.157 0.000 2.249 310 L HA 0.033 4.373 4.340 -0.000 0.000 0.207 310 L C 2.864 179.735 176.870 0.002 0.000 1.090 310 L CA 1.164 56.032 54.840 0.047 0.000 0.802 310 L CB -0.946 41.167 42.059 0.090 0.000 0.947 310 L HN 0.318 nan 8.230 nan 0.000 0.453 311 T N 0.273 114.783 114.554 -0.074 0.000 2.788 311 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 311 T C 2.051 176.690 174.700 -0.101 0.000 1.044 311 T CA 1.286 63.348 62.100 -0.064 0.000 1.139 311 T CB -0.185 68.643 68.868 -0.067 0.000 0.867 311 T HN 0.427 nan 8.240 nan 0.000 0.454 312 A N 1.223 123.914 122.820 -0.215 0.000 1.917 312 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 312 A C 1.921 179.376 177.584 -0.215 0.000 1.182 312 A CA 1.627 53.501 52.037 -0.271 0.000 0.633 312 A CB -1.026 17.717 19.000 -0.428 0.000 0.819 312 A HN 0.474 nan 8.150 nan 0.000 0.448 313 F N 0.404 120.340 119.950 -0.024 0.000 2.134 313 F HA -0.131 4.395 4.527 -0.000 0.000 0.299 313 F C 2.351 178.124 175.800 -0.046 0.000 1.097 313 F CA 1.464 59.448 58.000 -0.028 0.000 1.264 313 F CB -0.450 38.532 39.000 -0.031 0.000 1.001 313 F HN 0.060 nan 8.300 nan 0.000 0.479 314 K N 0.411 120.886 120.400 0.125 0.000 2.009 314 K HA -0.191 4.129 4.320 -0.000 0.000 0.210 314 K C 2.183 178.791 176.600 0.014 0.000 1.049 314 K CA 1.292 57.602 56.287 0.039 0.000 0.929 314 K CB -0.920 31.587 32.500 0.012 0.000 0.714 314 K HN 0.208 nan 8.250 nan 0.000 0.440 315 R N 0.678 121.175 120.500 -0.004 0.000 2.103 315 R HA -0.127 4.213 4.340 -0.000 0.000 0.242 315 R C 2.066 178.363 176.300 -0.004 0.000 1.142 315 R CA 1.616 57.706 56.100 -0.017 0.000 0.960 315 R CB -0.232 30.044 30.300 -0.040 0.000 0.858 315 R HN 0.230 nan 8.270 nan 0.000 0.439 316 A N -0.946 121.882 122.820 0.014 0.000 2.119 316 A HA 0.089 4.409 4.320 -0.000 0.000 0.217 316 A C 1.465 179.075 177.584 0.043 0.000 1.153 316 A CA 1.345 53.403 52.037 0.034 0.000 0.692 316 A CB -0.069 18.974 19.000 0.071 0.000 0.799 316 A HN 0.625 nan 8.150 nan 0.000 0.458 317 G N -2.932 105.888 108.800 0.034 0.000 2.227 317 G HA2 0.238 4.198 3.960 -0.000 0.000 0.168 317 G HA3 0.238 4.198 3.960 -0.000 0.000 0.168 317 G C 0.299 175.194 174.900 -0.008 0.000 1.006 317 G CA 0.044 45.154 45.100 0.017 0.000 0.684 317 G HN 1.389 nan 8.290 nan 0.000 0.489 318 A N 0.291 123.108 122.820 -0.005 0.000 2.425 318 A HA 0.594 4.914 4.320 -0.000 0.000 0.249 318 A C 1.036 178.502 177.584 -0.197 0.000 1.084 318 A CA 0.688 52.662 52.037 -0.105 0.000 0.781 318 A CB 0.396 19.349 19.000 -0.080 0.000 1.019 318 A HN 0.158 nan 8.150 nan 0.000 0.490 319 D N 1.193 121.357 120.400 -0.394 0.000 2.277 319 D HA 0.151 4.791 4.640 -0.000 0.000 0.209 319 D C 0.867 176.838 176.300 -0.548 0.000 0.970 319 D CA 1.521 55.257 54.000 -0.440 0.000 0.874 319 D CB 0.439 40.946 40.800 -0.488 0.000 0.982 319 D HN 0.675 nan 8.370 nan 0.000 0.504 320 G N 0.201 108.471 108.800 -0.882 0.000 2.659 320 G HA2 0.611 4.571 3.960 -0.000 0.000 0.296 320 G HA3 0.611 4.571 3.960 -0.000 0.000 0.296 320 G C -1.382 173.324 174.900 -0.323 0.000 1.369 320 G CA -0.559 44.221 45.100 -0.533 0.000 0.937 320 G HN -0.020 nan 8.290 nan 0.000 0.485 321 I N 0.883 121.337 120.570 -0.194 0.000 2.468 321 I HA 0.250 4.420 4.170 -0.000 0.000 0.285 321 I C -0.920 175.014 176.117 -0.305 0.000 1.039 321 I CA -0.657 60.467 61.300 -0.294 0.000 1.074 321 I CB 2.147 39.991 38.000 -0.261 0.000 1.228 321 I HN 0.113 nan 8.210 nan 0.000 0.436 322 L N 5.674 126.620 121.223 -0.463 0.000 2.325 322 L HA 0.444 4.784 4.340 -0.000 0.000 0.284 322 L C 0.431 176.884 176.870 -0.695 0.000 1.089 322 L CA 0.489 54.901 54.840 -0.714 0.000 0.836 322 L CB 0.632 41.935 42.059 -1.260 0.000 1.184 322 L HN 0.578 nan 8.230 nan 0.000 0.444 323 T N 1.579 115.826 114.554 -0.513 0.000 2.971 323 T HA 0.362 4.712 4.350 -0.000 0.000 0.304 323 T C 0.761 175.235 174.700 -0.377 0.000 1.038 323 T CA -0.378 61.535 62.100 -0.312 0.000 1.007 323 T CB 0.477 69.343 68.868 -0.003 0.000 1.055 323 T HN 0.390 nan 8.240 nan 0.000 0.451 324 Y N 3.030 123.242 120.300 -0.146 0.000 2.483 324 Y HA 0.099 4.649 4.550 -0.000 0.000 0.291 324 Y C 1.356 177.121 175.900 -0.226 0.000 1.143 324 Y CA 0.601 58.490 58.100 -0.351 0.000 1.289 324 Y CB -0.402 37.587 38.460 -0.785 0.000 0.983 324 Y HN 0.645 nan 8.280 nan 0.000 0.556 325 F N -0.645 119.451 119.950 0.242 0.000 2.816 325 F HA 0.149 4.676 4.527 -0.000 0.000 0.302 325 F C 2.052 177.891 175.800 0.065 0.000 1.178 325 F CA -0.012 58.120 58.000 0.220 0.000 1.421 325 F CB -0.750 38.371 39.000 0.202 0.000 1.114 325 F HN 0.035 nan 8.300 nan 0.000 0.573 326 A N -0.112 122.764 122.820 0.093 0.000 1.969 326 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 326 A C 2.408 180.001 177.584 0.016 0.000 1.169 326 A CA 1.432 53.468 52.037 -0.001 0.000 0.635 326 A CB -0.417 18.493 19.000 -0.149 0.000 0.810 326 A HN 0.341 nan 8.150 nan 0.000 0.445 327 K N -0.316 120.100 120.400 0.027 0.000 2.001 327 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 327 K C 2.257 178.942 176.600 0.141 0.000 1.048 327 K CA 1.470 57.819 56.287 0.103 0.000 0.932 327 K CB -0.270 32.338 32.500 0.179 0.000 0.715 327 K HN 0.621 nan 8.250 nan 0.000 0.437 328 Q N 0.129 120.043 119.800 0.189 0.000 2.062 328 Q HA -0.225 4.115 4.340 -0.000 0.000 0.209 328 Q C 2.191 178.260 176.000 0.114 0.000 0.996 328 Q CA 1.872 57.782 55.803 0.178 0.000 0.859 328 Q CB -0.358 28.540 28.738 0.267 0.000 0.920 328 Q HN 0.419 nan 8.270 nan 0.000 0.415 329 A N 1.387 124.275 122.820 0.114 0.000 1.865 329 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 329 A C 2.408 180.019 177.584 0.044 0.000 1.191 329 A CA 1.865 53.936 52.037 0.056 0.000 0.623 329 A CB -1.011 18.024 19.000 0.059 0.000 0.826 329 A HN 0.431 nan 8.150 nan 0.000 0.444 330 A N -0.334 122.517 122.820 0.051 0.000 1.908 330 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 330 A C 1.907 179.520 177.584 0.049 0.000 1.181 330 A CA 1.867 53.930 52.037 0.043 0.000 0.627 330 A CB -0.646 18.382 19.000 0.047 0.000 0.818 330 A HN 0.660 nan 8.150 nan 0.000 0.445 331 E N -0.646 119.593 120.200 0.064 0.000 2.038 331 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 331 E C 2.348 178.973 176.600 0.041 0.000 1.000 331 E CA 1.450 57.885 56.400 0.059 0.000 0.803 331 E CB -0.220 29.525 29.700 0.075 0.000 0.750 331 E HN 0.670 nan 8.360 nan 0.000 0.448 332 Q N 0.292 120.113 119.800 0.035 0.000 2.077 332 Q HA -0.217 4.123 4.340 -0.000 0.000 0.206 332 Q C 2.394 178.404 176.000 0.017 0.000 0.989 332 Q CA 1.245 57.060 55.803 0.020 0.000 0.853 332 Q CB -0.156 28.586 28.738 0.006 0.000 0.907 332 Q HN 0.342 nan 8.270 nan 0.000 0.418 333 L N -0.526 120.708 121.223 0.018 0.000 1.948 333 L HA -0.250 4.090 4.340 -0.000 0.000 0.212 333 L C 2.098 178.977 176.870 0.015 0.000 1.074 333 L CA 1.073 55.921 54.840 0.014 0.000 0.753 333 L CB -0.508 41.559 42.059 0.013 0.000 0.888 333 L HN 0.318 nan 8.230 nan 0.000 0.432 334 R N -0.494 120.017 120.500 0.018 0.000 2.596 334 R HA -0.346 3.994 4.340 -0.000 0.000 0.204 334 R C 1.994 178.306 176.300 0.020 0.000 0.897 334 R CA 2.690 58.803 56.100 0.022 0.000 1.038 334 R CB -1.290 29.027 30.300 0.029 0.000 0.574 334 R HN 0.321 nan 8.270 nan 0.000 0.452 335 R N 0.872 121.383 120.500 0.020 0.000 2.339 335 R HA 0.075 4.415 4.340 -0.000 0.000 0.199 335 R C 1.042 177.350 176.300 0.014 0.000 1.018 335 R CA 0.769 56.879 56.100 0.017 0.000 1.036 335 R CB 0.165 30.476 30.300 0.018 0.000 0.899 335 R HN 0.552 nan 8.270 nan 0.000 0.473 336 G N 0.000 108.808 108.800 0.013 0.000 5.446 336 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 336 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 336 G CA 0.000 nan 45.100 nan 0.000 0.502 336 G HN 0.000 nan 8.290 nan 0.000 0.925