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 1j3u_1_B DATA FIRST_RESID 5 DATA SEQUENCE VRIEKDFLGE KEIPKDAYYG VQTIRATENF PITGYRIHPE LIKSLGIVKK DATA SEQUENCE SAALANMEVG LLDKEVGQYI VKAADEVIEG KWNDQFIVDP IQGGAGTSIN DATA SEQUENCE MNANEVIANR ALELMGEEKG NYSKISPNSH VNMSQSTNDA FPTATHIAVL DATA SEQUENCE SLLNQLIETT KYMQQEFMKK ADEFAGVIKM GRTHLQDAVP ILLGQEFEAY DATA SEQUENCE ARVIARDIER IANTRNNLYD INMGATAVGT GLNADPEYIS IVTEHLAKFS DATA SEQUENCE GHPLRSAQHL VDATQNTDCY TEVSSALKVC MINMSKIAND LRLMASGPRA DATA SEQUENCE GLSEIVLPAR QPGSSIMPGK VNPVMPEVMN QVAFQVFGND LTITSASEAG DATA SEQUENCE QFELNVMEPV LFFNLIQSIS IMTNVFKSFT ENCLKGIKAN EERMKEYVEK DATA SEQUENCE SIGIITAINP HVGYETAAKL AREAYLTGES IRELCIKYGV LTEEQLNEIL DATA SEQUENCE NPYEMIHPGI AG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.049 176.094 -0.075 0.000 1.182 5 V CA 0.000 62.267 62.300 -0.056 0.000 1.235 5 V CB 0.000 31.796 31.823 -0.045 0.000 1.184 6 R N -0.370 120.083 120.500 -0.078 0.000 3.061 6 R HA 0.893 5.230 4.340 -0.006 0.000 0.265 6 R C -2.367 173.879 176.300 -0.090 0.000 1.003 6 R CA 0.025 56.067 56.100 -0.097 0.000 0.871 6 R CB 1.571 31.795 30.300 -0.127 0.000 1.458 6 R HN 1.709 nan 8.270 nan 0.000 0.431 7 I N 1.199 121.705 120.570 -0.107 0.000 2.735 7 I HA 0.258 4.424 4.170 -0.006 0.000 0.287 7 I C -1.846 174.196 176.117 -0.125 0.000 1.452 7 I CA -0.334 60.907 61.300 -0.098 0.000 1.061 7 I CB 1.916 39.866 38.000 -0.083 0.000 1.383 7 I HN 0.629 nan 8.210 nan 0.000 0.425 8 E N 5.788 125.922 120.200 -0.111 0.000 2.248 8 E HA 0.438 4.784 4.350 -0.006 0.000 0.267 8 E C -0.606 175.945 176.600 -0.081 0.000 0.877 8 E CA -0.957 55.365 56.400 -0.130 0.000 0.759 8 E CB 1.805 31.433 29.700 -0.120 0.000 1.182 8 E HN 0.590 nan 8.360 nan 0.000 0.418 9 K N 2.518 122.873 120.400 -0.074 0.000 2.378 9 K HA 0.068 4.384 4.320 -0.006 0.000 0.288 9 K C -0.535 176.065 176.600 0.001 0.000 1.057 9 K CA 0.050 56.317 56.287 -0.034 0.000 0.971 9 K CB 0.252 32.739 32.500 -0.022 0.000 0.975 9 K HN 0.513 nan 8.250 nan 0.000 0.475 10 D N 2.173 122.558 120.400 -0.025 0.000 2.780 10 D HA 0.280 4.916 4.640 -0.006 0.000 0.242 10 D C 0.994 177.249 176.300 -0.076 0.000 1.135 10 D CA -0.686 53.288 54.000 -0.043 0.000 0.859 10 D CB 1.065 41.781 40.800 -0.139 0.000 1.530 10 D HN 0.354 nan 8.370 nan 0.000 0.493 11 F N 2.454 122.405 119.950 0.002 0.000 2.287 11 F HA -0.052 4.471 4.527 -0.006 0.000 0.301 11 F C 1.233 177.028 175.800 -0.008 0.000 1.069 11 F CA 0.773 58.772 58.000 -0.002 0.000 1.372 11 F CB -0.387 38.614 39.000 0.001 0.000 1.056 11 F HN 0.275 nan 8.300 nan 0.000 0.523 12 L N 0.607 121.277 121.223 -0.922 0.000 2.612 12 L HA 0.410 4.747 4.340 -0.006 0.000 0.230 12 L C 0.973 177.667 176.870 -0.295 0.000 1.140 12 L CA 0.369 54.818 54.840 -0.652 0.000 0.896 12 L CB -0.630 40.946 42.059 -0.805 0.000 1.065 12 L HN 0.616 nan 8.230 nan 0.000 0.447 13 G N 0.092 108.770 108.800 -0.204 0.000 2.384 13 G HA2 -0.122 3.834 3.960 -0.006 0.000 0.668 13 G HA3 -0.122 3.834 3.960 -0.006 0.000 0.668 13 G C -1.015 173.823 174.900 -0.104 0.000 1.280 13 G CA -0.939 44.090 45.100 -0.118 0.000 0.992 13 G HN 0.121 nan 8.290 nan 0.000 0.512 14 E N 0.909 121.063 120.200 -0.076 0.000 2.200 14 E HA 0.568 4.915 4.350 -0.006 0.000 0.283 14 E C 0.560 177.118 176.600 -0.069 0.000 1.015 14 E CA 0.065 56.424 56.400 -0.068 0.000 0.819 14 E CB 1.146 30.812 29.700 -0.058 0.000 1.081 14 E HN 0.787 nan 8.360 nan 0.000 0.397 15 K N 2.588 122.947 120.400 -0.067 0.000 2.221 15 K HA 0.385 4.701 4.320 -0.006 0.000 0.243 15 K C -0.305 176.266 176.600 -0.048 0.000 0.968 15 K CA -0.726 55.527 56.287 -0.056 0.000 0.846 15 K CB 1.039 33.508 32.500 -0.052 0.000 1.141 15 K HN 0.544 nan 8.250 nan 0.000 0.434 16 E N 1.013 121.191 120.200 -0.037 0.000 2.216 16 E HA 0.479 4.825 4.350 -0.006 0.000 0.279 16 E C -0.606 175.981 176.600 -0.022 0.000 0.997 16 E CA -0.891 55.486 56.400 -0.037 0.000 0.817 16 E CB 1.275 30.955 29.700 -0.033 0.000 1.096 16 E HN 0.437 nan 8.360 nan 0.000 0.393 17 I N 3.302 123.844 120.570 -0.047 0.000 2.466 17 I HA 0.285 4.451 4.170 -0.006 0.000 0.289 17 I C -2.422 173.635 176.117 -0.101 0.000 1.026 17 I CA -3.034 58.230 61.300 -0.059 0.000 1.078 17 I CB 1.180 39.115 38.000 -0.109 0.000 1.249 17 I HN 0.177 nan 8.210 nan 0.000 0.429 18 P HA 0.056 nan 4.420 nan 0.000 0.262 18 P C 0.977 178.187 177.300 -0.150 0.000 1.182 18 P CA 0.333 63.382 63.100 -0.086 0.000 0.761 18 P CB 0.559 32.237 31.700 -0.037 0.000 0.795 19 K N 3.267 123.596 120.400 -0.118 0.000 2.281 19 K HA -0.187 4.129 4.320 -0.006 0.000 0.203 19 K C 1.176 177.670 176.600 -0.176 0.000 1.046 19 K CA 2.002 58.202 56.287 -0.145 0.000 0.938 19 K CB -1.141 31.300 32.500 -0.100 0.000 0.737 19 K HN 0.577 nan 8.250 nan 0.000 0.458 20 D N -0.381 119.945 120.400 -0.124 0.000 2.305 20 D HA 0.130 4.766 4.640 -0.006 0.000 0.206 20 D C 0.948 177.185 176.300 -0.106 0.000 0.974 20 D CA 0.659 54.616 54.000 -0.071 0.000 0.871 20 D CB 0.022 40.839 40.800 0.028 0.000 0.947 20 D HN 0.535 nan 8.370 nan 0.000 0.516 21 A N 0.143 122.828 122.820 -0.226 0.000 2.386 21 A HA 0.176 4.493 4.320 -0.006 0.000 0.248 21 A C -0.093 177.178 177.584 -0.522 0.000 1.082 21 A CA -0.028 51.775 52.037 -0.390 0.000 0.789 21 A CB 0.287 18.752 19.000 -0.893 0.000 1.025 21 A HN 0.067 nan 8.150 nan 0.000 0.490 22 Y N -0.452 119.569 120.300 -0.466 0.000 2.430 22 Y HA 0.141 4.687 4.550 -0.006 0.000 0.248 22 Y C 0.367 176.095 175.900 -0.287 0.000 1.108 22 Y CA -0.018 57.873 58.100 -0.349 0.000 1.264 22 Y CB -0.287 37.950 38.460 -0.373 0.000 1.172 22 Y HN 0.693 nan 8.280 nan 0.000 0.520 23 Y N -0.714 119.588 120.300 0.004 0.000 2.314 23 Y HA 0.675 5.222 4.550 -0.006 0.000 0.334 23 Y C 0.746 176.645 175.900 -0.002 0.000 1.266 23 Y CA -1.165 56.907 58.100 -0.047 0.000 1.391 23 Y CB 0.265 38.687 38.460 -0.064 0.000 1.306 23 Y HN -0.046 nan 8.280 nan 0.000 0.558 24 G N 0.115 109.038 108.800 0.204 0.000 2.887 24 G HA2 0.402 4.359 3.960 -0.006 0.000 0.277 24 G HA3 0.402 4.359 3.960 -0.006 0.000 0.277 24 G C 0.525 175.537 174.900 0.187 0.000 1.346 24 G CA -0.609 44.607 45.100 0.194 0.000 1.058 24 G HN 0.889 nan 8.290 nan 0.000 0.535 25 V N -1.072 118.926 119.914 0.141 0.000 2.250 25 V HA -0.349 3.768 4.120 -0.006 0.000 0.253 25 V C 2.578 178.714 176.094 0.069 0.000 1.065 25 V CA 2.670 65.018 62.300 0.080 0.000 1.039 25 V CB -1.418 30.436 31.823 0.052 0.000 0.647 25 V HN 0.703 nan 8.190 nan 0.000 0.446 26 Q N 0.303 120.157 119.800 0.090 0.000 2.077 26 Q HA -0.221 4.115 4.340 -0.006 0.000 0.206 26 Q C 2.433 178.463 176.000 0.050 0.000 0.989 26 Q CA 2.460 58.307 55.803 0.073 0.000 0.853 26 Q CB -0.722 28.064 28.738 0.079 0.000 0.907 26 Q HN 0.776 nan 8.270 nan 0.000 0.418 27 T N 1.595 116.185 114.554 0.059 0.000 2.746 27 T HA -0.108 4.239 4.350 -0.006 0.000 0.267 27 T C 1.927 176.606 174.700 -0.035 0.000 1.039 27 T CA 0.829 62.936 62.100 0.012 0.000 1.142 27 T CB -0.084 68.792 68.868 0.013 0.000 0.866 27 T HN 0.138 nan 8.240 nan 0.000 0.444 28 I N 1.196 121.770 120.570 0.006 0.000 2.163 28 I HA -0.137 4.030 4.170 -0.006 0.000 0.243 28 I C 2.644 178.722 176.117 -0.064 0.000 1.085 28 I CA 1.448 62.732 61.300 -0.026 0.000 1.347 28 I CB -0.965 37.055 38.000 0.034 0.000 1.044 28 I HN 0.102 nan 8.210 nan 0.000 0.408 29 R N 1.018 121.483 120.500 -0.059 0.000 2.096 29 R HA -0.139 4.197 4.340 -0.006 0.000 0.240 29 R C 2.376 178.586 176.300 -0.150 0.000 1.139 29 R CA 1.856 57.892 56.100 -0.106 0.000 0.952 29 R CB -0.952 29.301 30.300 -0.078 0.000 0.854 29 R HN 0.443 nan 8.270 nan 0.000 0.436 30 A N -1.036 121.735 122.820 -0.082 0.000 1.908 30 A HA -0.185 4.131 4.320 -0.006 0.000 0.218 30 A C 2.257 179.784 177.584 -0.094 0.000 1.181 30 A CA 2.189 54.196 52.037 -0.050 0.000 0.627 30 A CB -1.027 18.028 19.000 0.091 0.000 0.818 30 A HN 0.384 nan 8.150 nan 0.000 0.445 31 T N -0.075 114.428 114.554 -0.085 0.000 2.788 31 T HA -0.134 4.213 4.350 -0.006 0.000 0.268 31 T C 1.744 176.373 174.700 -0.117 0.000 1.044 31 T CA 1.793 63.841 62.100 -0.087 0.000 1.139 31 T CB -0.252 68.552 68.868 -0.107 0.000 0.867 31 T HN 0.712 nan 8.240 nan 0.000 0.454 32 E N 0.710 120.818 120.200 -0.153 0.000 2.112 32 E HA -0.040 4.306 4.350 -0.006 0.000 0.190 32 E C 2.236 178.688 176.600 -0.246 0.000 0.979 32 E CA 0.628 56.930 56.400 -0.163 0.000 0.814 32 E CB -0.066 29.546 29.700 -0.147 0.000 0.762 32 E HN 0.377 nan 8.360 nan 0.000 0.460 33 N N 0.626 119.066 118.700 -0.433 0.000 2.106 33 N HA -0.079 4.657 4.740 -0.006 0.000 0.188 33 N C 0.336 175.403 175.510 -0.739 0.000 1.029 33 N CA 1.028 53.622 53.050 -0.760 0.000 0.848 33 N CB 0.005 37.643 38.487 -1.415 0.000 1.007 33 N HN 0.113 nan 8.380 nan 0.000 0.423 34 F N 1.030 120.952 119.950 -0.047 0.000 2.471 34 F HA 0.359 4.882 4.527 -0.006 0.000 0.318 34 F C -2.143 173.612 175.800 -0.076 0.000 1.308 34 F CA -1.728 56.235 58.000 -0.061 0.000 1.162 34 F CB 1.456 40.418 39.000 -0.064 0.000 1.383 34 F HN -0.135 nan 8.300 nan 0.000 0.552 35 P HA 0.166 nan 4.420 nan 0.000 0.214 35 P C 0.569 177.846 177.300 -0.038 0.000 1.849 35 P CA -0.004 63.085 63.100 -0.019 0.000 1.022 35 P CB 0.410 32.085 31.700 -0.042 0.000 1.912 36 I N 1.160 121.700 120.570 -0.050 0.000 2.272 36 I HA -0.072 4.095 4.170 -0.006 0.000 0.235 36 I C 2.300 178.293 176.117 -0.206 0.000 1.071 36 I CA 1.832 63.069 61.300 -0.105 0.000 1.374 36 I CB -2.108 35.827 38.000 -0.108 0.000 1.121 36 I HN 0.185 nan 8.210 nan 0.000 0.420 37 T N -1.915 112.433 114.554 -0.343 0.000 3.021 37 T HA 0.316 4.662 4.350 -0.006 0.000 0.245 37 T C 1.650 176.014 174.700 -0.559 0.000 1.028 37 T CA 0.929 62.642 62.100 -0.644 0.000 1.139 37 T CB 0.262 68.415 68.868 -1.192 0.000 0.884 37 T HN 0.547 nan 8.240 nan 0.000 0.457 38 G N 0.425 109.039 108.800 -0.309 0.000 2.176 38 G HA2 -0.188 3.769 3.960 -0.006 0.000 0.232 38 G HA3 -0.188 3.769 3.960 -0.006 0.000 0.232 38 G C 0.060 175.016 174.900 0.092 0.000 0.986 38 G CA -0.032 45.015 45.100 -0.089 0.000 0.643 38 G HN 0.684 nan 8.290 nan 0.000 0.522 39 Y N 0.616 120.903 120.300 -0.021 0.000 2.299 39 Y HA 0.597 5.143 4.550 -0.007 0.000 0.335 39 Y C 1.186 177.104 175.900 0.031 0.000 1.287 39 Y CA -0.894 57.215 58.100 0.015 0.000 1.424 39 Y CB 0.581 39.049 38.460 0.012 0.000 1.326 39 Y HN -0.036 nan 8.280 nan 0.000 0.567 40 R N 2.301 122.945 120.500 0.240 0.000 2.589 40 R HA 0.362 4.698 4.340 -0.006 0.000 0.293 40 R C -0.438 175.977 176.300 0.192 0.000 0.963 40 R CA -1.044 55.163 56.100 0.178 0.000 0.905 40 R CB 1.630 32.014 30.300 0.141 0.000 1.144 40 R HN 0.740 nan 8.270 nan 0.000 0.459 41 I N -0.315 120.375 120.570 0.201 0.000 2.872 41 I HA 0.004 4.170 4.170 -0.006 0.000 0.291 41 I C 0.842 177.062 176.117 0.172 0.000 1.216 41 I CA -0.088 61.346 61.300 0.223 0.000 1.424 41 I CB 0.347 38.481 38.000 0.223 0.000 1.351 41 I HN 0.395 nan 8.210 nan 0.000 0.592 42 H N 7.953 127.088 119.070 0.108 0.000 3.064 42 H HA 0.066 4.618 4.556 -0.006 0.000 0.329 42 H C -1.681 173.646 175.328 -0.002 0.000 1.020 42 H CA -1.263 54.813 56.048 0.047 0.000 1.402 42 H CB 1.187 30.969 29.762 0.034 0.000 1.379 42 H HN 0.517 nan 8.280 nan 0.000 0.594 43 P HA -0.191 nan 4.420 nan 0.000 0.218 43 P C 1.160 178.515 177.300 0.091 0.000 1.146 43 P CA 1.305 64.353 63.100 -0.087 0.000 0.813 43 P CB 0.436 32.032 31.700 -0.174 0.000 0.778 44 E N -0.100 120.372 120.200 0.453 0.000 2.152 44 E HA -0.079 4.267 4.350 -0.006 0.000 0.192 44 E C 2.107 178.767 176.600 0.101 0.000 0.983 44 E CA 0.511 57.051 56.400 0.233 0.000 0.818 44 E CB -1.025 28.748 29.700 0.122 0.000 0.758 44 E HN 0.138 nan 8.360 nan 0.000 0.467 45 L N 0.045 121.337 121.223 0.115 0.000 2.056 45 L HA -0.112 4.224 4.340 -0.006 0.000 0.207 45 L C 2.109 178.969 176.870 -0.017 0.000 1.078 45 L CA 1.002 55.875 54.840 0.056 0.000 0.749 45 L CB -0.206 41.920 42.059 0.112 0.000 0.901 45 L HN 0.254 nan 8.230 nan 0.000 0.433 46 I N 0.120 120.613 120.570 -0.129 0.000 2.099 46 I HA -0.404 3.762 4.170 -0.006 0.000 0.239 46 I C 2.624 178.615 176.117 -0.211 0.000 1.066 46 I CA 1.733 62.777 61.300 -0.427 0.000 1.324 46 I CB -0.474 37.179 38.000 -0.578 0.000 1.037 46 I HN 0.266 nan 8.210 nan 0.000 0.401 47 K N 1.014 121.361 120.400 -0.088 0.000 2.044 47 K HA -0.217 4.099 4.320 -0.006 0.000 0.210 47 K C 2.209 178.820 176.600 0.018 0.000 1.049 47 K CA 2.215 58.493 56.287 -0.014 0.000 0.927 47 K CB -0.090 32.421 32.500 0.019 0.000 0.713 47 K HN 0.183 nan 8.250 nan 0.000 0.443 48 S N 0.870 116.589 115.700 0.030 0.000 2.383 48 S HA -0.084 4.382 4.470 -0.006 0.000 0.227 48 S C 1.714 176.356 174.600 0.070 0.000 1.026 48 S CA 0.788 59.023 58.200 0.059 0.000 0.981 48 S CB -0.165 63.070 63.200 0.057 0.000 0.818 48 S HN 0.199 nan 8.310 nan 0.000 0.472 49 L N 1.760 123.021 121.223 0.063 0.000 2.046 49 L HA -0.018 4.318 4.340 -0.006 0.000 0.208 49 L C 2.570 179.506 176.870 0.110 0.000 1.077 49 L CA 1.774 56.682 54.840 0.114 0.000 0.747 49 L CB -1.992 40.153 42.059 0.143 0.000 0.896 49 L HN 0.383 nan 8.230 nan 0.000 0.432 50 G N -0.288 108.561 108.800 0.081 0.000 2.459 50 G HA2 -0.259 3.697 3.960 -0.006 0.000 0.217 50 G HA3 -0.259 3.697 3.960 -0.006 0.000 0.217 50 G C 1.729 176.649 174.900 0.035 0.000 1.183 50 G CA 0.990 46.136 45.100 0.078 0.000 0.776 50 G HN 0.383 nan 8.290 nan 0.000 0.552 51 I N 0.404 120.992 120.570 0.030 0.000 2.163 51 I HA -0.206 3.960 4.170 -0.006 0.000 0.243 51 I C 2.824 178.968 176.117 0.045 0.000 1.085 51 I CA 0.788 62.097 61.300 0.015 0.000 1.347 51 I CB -0.500 37.546 38.000 0.078 0.000 1.044 51 I HN 0.039 nan 8.210 nan 0.000 0.408 52 V N 0.845 120.809 119.914 0.084 0.000 2.287 52 V HA -0.276 3.840 4.120 -0.006 0.000 0.248 52 V C 2.551 178.704 176.094 0.097 0.000 1.053 52 V CA 1.725 64.088 62.300 0.104 0.000 1.027 52 V CB -0.709 31.186 31.823 0.119 0.000 0.646 52 V HN 0.358 nan 8.190 nan 0.000 0.447 53 K N 0.337 120.789 120.400 0.086 0.000 2.057 53 K HA -0.157 4.159 4.320 -0.006 0.000 0.206 53 K C 2.114 178.737 176.600 0.038 0.000 1.050 53 K CA 1.460 57.793 56.287 0.078 0.000 0.935 53 K CB -0.445 32.106 32.500 0.085 0.000 0.715 53 K HN 0.510 nan 8.250 nan 0.000 0.439 54 K N 0.874 121.265 120.400 -0.016 0.000 2.002 54 K HA -0.080 4.237 4.320 -0.006 0.000 0.209 54 K C 2.094 178.635 176.600 -0.099 0.000 1.048 54 K CA 1.693 57.919 56.287 -0.102 0.000 0.930 54 K CB -0.035 32.323 32.500 -0.238 0.000 0.714 54 K HN -0.094 nan 8.250 nan 0.000 0.438 55 S N 0.364 116.040 115.700 -0.040 0.000 2.419 55 S HA -0.108 4.358 4.470 -0.006 0.000 0.233 55 S C 1.857 176.522 174.600 0.109 0.000 1.016 55 S CA 1.082 59.319 58.200 0.062 0.000 0.974 55 S CB -0.154 63.174 63.200 0.214 0.000 0.786 55 S HN 0.539 nan 8.310 nan 0.000 0.492 56 A N 1.423 124.323 122.820 0.133 0.000 1.874 56 A HA 0.338 4.655 4.320 -0.006 0.000 0.214 56 A C 2.356 180.052 177.584 0.187 0.000 1.189 56 A CA 1.275 53.453 52.037 0.235 0.000 0.615 56 A CB -1.103 18.030 19.000 0.222 0.000 0.830 56 A HN 0.474 nan 8.150 nan 0.000 0.443 57 A N -0.200 122.677 122.820 0.094 0.000 1.873 57 A HA -0.117 4.200 4.320 -0.006 0.000 0.218 57 A C 2.067 179.687 177.584 0.059 0.000 1.193 57 A CA 1.898 53.975 52.037 0.066 0.000 0.629 57 A CB -0.745 18.275 19.000 0.034 0.000 0.826 57 A HN 0.410 nan 8.150 nan 0.000 0.447 58 L N -0.410 120.814 121.223 0.003 0.000 1.956 58 L HA -0.209 4.127 4.340 -0.006 0.000 0.216 58 L C 3.054 179.975 176.870 0.085 0.000 1.073 58 L CA 2.385 57.198 54.840 -0.045 0.000 0.762 58 L CB -1.153 40.708 42.059 -0.331 0.000 0.889 58 L HN 0.418 nan 8.230 nan 0.000 0.433 59 A N -0.870 122.064 122.820 0.190 0.000 1.948 59 A HA -0.268 4.049 4.320 -0.006 0.000 0.220 59 A C 2.138 179.901 177.584 0.298 0.000 1.177 59 A CA 2.112 54.344 52.037 0.325 0.000 0.636 59 A CB -0.764 18.457 19.000 0.370 0.000 0.815 59 A HN 0.609 nan 8.150 nan 0.000 0.449 60 N N -0.520 118.326 118.700 0.243 0.000 2.166 60 N HA -0.100 4.636 4.740 -0.006 0.000 0.186 60 N C 1.772 177.333 175.510 0.086 0.000 1.019 60 N CA 1.664 54.783 53.050 0.116 0.000 0.856 60 N CB -0.350 38.162 38.487 0.042 0.000 0.993 60 N HN 0.581 nan 8.380 nan 0.000 0.426 61 M N 0.473 120.126 119.600 0.089 0.000 2.200 61 M HA -0.089 4.388 4.480 -0.006 0.000 0.265 61 M C 2.055 178.402 176.300 0.079 0.000 1.066 61 M CA 1.077 56.420 55.300 0.071 0.000 1.127 61 M CB -0.180 32.456 32.600 0.061 0.000 1.379 61 M HN 0.141 nan 8.290 nan 0.000 0.420 62 E N 0.377 120.641 120.200 0.108 0.000 2.072 62 E HA -0.130 4.217 4.350 -0.006 0.000 0.190 62 E C 1.705 178.362 176.600 0.096 0.000 0.982 62 E CA 1.022 57.488 56.400 0.109 0.000 0.803 62 E CB 0.279 30.068 29.700 0.149 0.000 0.755 62 E HN 0.243 nan 8.360 nan 0.000 0.453 63 V N 0.187 120.168 119.914 0.112 0.000 3.305 63 V HA 0.000 4.117 4.120 -0.006 0.000 0.269 63 V C 1.365 177.493 176.094 0.056 0.000 1.157 63 V CA 1.024 63.379 62.300 0.091 0.000 1.157 63 V CB -0.288 31.606 31.823 0.118 0.000 0.772 63 V HN 0.590 nan 8.190 nan 0.000 0.498 64 G N 0.205 109.037 108.800 0.054 0.000 2.160 64 G HA2 -0.272 3.684 3.960 -0.006 0.000 0.244 64 G HA3 -0.272 3.684 3.960 -0.006 0.000 0.244 64 G C 0.554 175.464 174.900 0.017 0.000 1.022 64 G CA 0.585 45.707 45.100 0.036 0.000 0.741 64 G HN 0.494 nan 8.290 nan 0.000 0.508 65 L N -1.424 119.803 121.223 0.006 0.000 2.477 65 L HA 0.416 4.752 4.340 -0.006 0.000 0.220 65 L C 1.099 177.947 176.870 -0.037 0.000 1.106 65 L CA 0.145 54.967 54.840 -0.030 0.000 0.851 65 L CB 0.185 42.202 42.059 -0.069 0.000 0.994 65 L HN 0.323 nan 8.230 nan 0.000 0.462 66 L N 0.101 121.322 121.223 -0.003 0.000 2.341 66 L HA 0.366 4.703 4.340 -0.006 0.000 0.278 66 L C -0.397 176.504 176.870 0.052 0.000 1.005 66 L CA -0.557 54.293 54.840 0.016 0.000 0.818 66 L CB 1.324 43.406 42.059 0.039 0.000 1.259 66 L HN -0.101 nan 8.230 nan 0.000 0.418 67 D N 3.151 123.598 120.400 0.077 0.000 2.520 67 D HA -0.037 4.600 4.640 -0.006 0.000 0.243 67 D C 0.765 177.119 176.300 0.089 0.000 1.160 67 D CA 0.691 54.742 54.000 0.085 0.000 0.877 67 D CB 0.893 41.761 40.800 0.113 0.000 1.150 67 D HN 0.605 nan 8.370 nan 0.000 0.494 68 K N 2.807 123.249 120.400 0.070 0.000 2.280 68 K HA -0.184 4.132 4.320 -0.006 0.000 0.202 68 K C 1.488 178.135 176.600 0.078 0.000 1.047 68 K CA 0.991 57.317 56.287 0.065 0.000 0.942 68 K CB 0.122 32.652 32.500 0.051 0.000 0.739 68 K HN 0.547 nan 8.250 nan 0.000 0.457 69 E N 1.030 121.286 120.200 0.094 0.000 2.028 69 E HA -0.126 4.221 4.350 -0.006 0.000 0.190 69 E C 1.803 178.517 176.600 0.191 0.000 0.984 69 E CA 1.070 57.548 56.400 0.130 0.000 0.800 69 E CB 0.045 29.810 29.700 0.108 0.000 0.758 69 E HN -0.027 nan 8.360 nan 0.000 0.448 70 V N 0.609 120.609 119.914 0.143 0.000 2.283 70 V HA -0.081 4.035 4.120 -0.006 0.000 0.243 70 V C 2.408 178.592 176.094 0.149 0.000 1.039 70 V CA 1.800 64.178 62.300 0.131 0.000 1.016 70 V CB -1.096 30.763 31.823 0.060 0.000 0.650 70 V HN 0.538 nan 8.190 nan 0.000 0.449 71 G N -1.085 107.792 108.800 0.128 0.000 2.564 71 G HA2 -0.295 3.661 3.960 -0.006 0.000 0.216 71 G HA3 -0.295 3.661 3.960 -0.006 0.000 0.216 71 G C 1.465 176.406 174.900 0.068 0.000 1.124 71 G CA 0.909 46.068 45.100 0.099 0.000 0.764 71 G HN 0.514 nan 8.290 nan 0.000 0.550 72 Q N -0.919 118.927 119.800 0.076 0.000 2.123 72 Q HA 0.067 4.403 4.340 -0.006 0.000 0.196 72 Q C 1.944 177.898 176.000 -0.077 0.000 0.958 72 Q CA 0.938 56.733 55.803 -0.013 0.000 0.841 72 Q CB -0.185 28.529 28.738 -0.040 0.000 0.915 72 Q HN 0.599 nan 8.270 nan 0.000 0.455 73 Y N -0.505 119.799 120.300 0.007 0.000 2.337 73 Y HA 0.003 4.550 4.550 -0.006 0.000 0.293 73 Y C 1.831 177.731 175.900 0.000 0.000 1.123 73 Y CA 0.741 58.844 58.100 0.005 0.000 1.201 73 Y CB 0.075 38.536 38.460 0.001 0.000 1.011 73 Y HN 0.102 nan 8.280 nan 0.000 0.545 74 I N -1.037 119.618 120.570 0.142 0.000 2.208 74 I HA -0.336 3.830 4.170 -0.006 0.000 0.245 74 I C 2.094 178.233 176.117 0.036 0.000 1.097 74 I CA 1.123 62.468 61.300 0.074 0.000 1.363 74 I CB -0.497 37.540 38.000 0.062 0.000 1.051 74 I HN 0.051 nan 8.210 nan 0.000 0.413 75 V N 0.933 120.851 119.914 0.008 0.000 2.220 75 V HA -0.337 3.780 4.120 -0.006 0.000 0.246 75 V C 2.342 178.417 176.094 -0.031 0.000 1.049 75 V CA 2.084 64.361 62.300 -0.038 0.000 1.003 75 V CB -0.702 31.081 31.823 -0.067 0.000 0.634 75 V HN 0.378 nan 8.190 nan 0.000 0.444 76 K N 0.164 120.549 120.400 -0.025 0.000 2.218 76 K HA -0.174 4.143 4.320 -0.006 0.000 0.205 76 K C 2.114 178.747 176.600 0.055 0.000 1.046 76 K CA 1.467 57.753 56.287 -0.002 0.000 0.933 76 K CB -0.414 32.073 32.500 -0.022 0.000 0.728 76 K HN 0.541 nan 8.250 nan 0.000 0.454 77 A N 1.018 123.876 122.820 0.063 0.000 1.874 77 A HA 0.038 4.354 4.320 -0.006 0.000 0.214 77 A C 2.345 179.974 177.584 0.075 0.000 1.189 77 A CA 1.356 53.436 52.037 0.071 0.000 0.615 77 A CB -0.654 18.366 19.000 0.034 0.000 0.830 77 A HN 0.283 nan 8.150 nan 0.000 0.443 78 A N -0.159 122.687 122.820 0.043 0.000 1.972 78 A HA -0.168 4.148 4.320 -0.006 0.000 0.219 78 A C 1.754 179.365 177.584 0.045 0.000 1.169 78 A CA 1.920 53.985 52.037 0.046 0.000 0.635 78 A CB -0.524 18.479 19.000 0.004 0.000 0.810 78 A HN 0.431 nan 8.150 nan 0.000 0.446 79 D N -0.360 120.049 120.400 0.014 0.000 2.144 79 D HA -0.098 4.538 4.640 -0.006 0.000 0.200 79 D C 1.936 178.277 176.300 0.068 0.000 0.978 79 D CA 1.136 55.136 54.000 0.000 0.000 0.833 79 D CB -0.261 40.523 40.800 -0.028 0.000 0.961 79 D HN 0.615 nan 8.370 nan 0.000 0.470 80 E N -0.047 120.240 120.200 0.144 0.000 2.153 80 E HA -0.108 4.238 4.350 -0.006 0.000 0.194 80 E C 2.193 178.961 176.600 0.281 0.000 0.988 80 E CA 0.441 56.974 56.400 0.222 0.000 0.811 80 E CB 0.259 30.233 29.700 0.457 0.000 0.746 80 E HN 0.097 nan 8.360 nan 0.000 0.466 81 V N 1.405 121.534 119.914 0.358 0.000 2.307 81 V HA -0.257 3.859 4.120 -0.006 0.000 0.245 81 V C 2.251 178.444 176.094 0.166 0.000 1.045 81 V CA 1.464 63.992 62.300 0.379 0.000 1.024 81 V CB -0.353 31.661 31.823 0.317 0.000 0.651 81 V HN 0.275 nan 8.190 nan 0.000 0.449 82 I N 0.061 120.690 120.570 0.098 0.000 2.194 82 I HA -0.286 3.880 4.170 -0.006 0.000 0.246 82 I C 2.321 178.454 176.117 0.027 0.000 1.093 82 I CA 1.720 63.045 61.300 0.041 0.000 1.355 82 I CB -0.426 37.580 38.000 0.009 0.000 1.046 82 I HN 0.408 nan 8.210 nan 0.000 0.413 83 E N 0.741 120.955 120.200 0.024 0.000 2.515 83 E HA -0.018 4.328 4.350 -0.006 0.000 0.201 83 E C 1.108 177.688 176.600 -0.032 0.000 1.071 83 E CA 0.485 56.881 56.400 -0.006 0.000 0.880 83 E CB -0.126 29.564 29.700 -0.017 0.000 0.828 83 E HN 0.628 nan 8.360 nan 0.000 0.540 84 G N 2.094 110.883 108.800 -0.018 0.000 2.256 84 G HA2 -0.282 3.674 3.960 -0.006 0.000 0.272 84 G HA3 -0.282 3.674 3.960 -0.006 0.000 0.272 84 G C 0.577 175.403 174.900 -0.123 0.000 1.076 84 G CA 0.341 45.416 45.100 -0.042 0.000 0.882 84 G HN 0.073 nan 8.290 nan 0.000 0.497 85 K N -1.166 119.099 120.400 -0.226 0.000 2.373 85 K HA 0.427 4.743 4.320 -0.006 0.000 0.202 85 K C 0.464 176.470 176.600 -0.989 0.000 1.025 85 K CA -0.077 55.842 56.287 -0.614 0.000 1.115 85 K CB 0.083 32.130 32.500 -0.755 0.000 0.858 85 K HN 0.635 nan 8.250 nan 0.000 0.525 86 W N -0.292 121.040 121.300 0.055 0.000 0.996 86 W HA 0.273 4.929 4.660 -0.006 0.000 0.266 86 W C 0.336 177.022 176.519 0.278 0.000 0.852 86 W CA -0.585 56.827 57.345 0.111 0.000 1.915 86 W CB 0.103 29.615 29.460 0.088 0.000 1.130 86 W HN -0.113 nan 8.180 nan 0.000 0.457 87 N N 0.690 119.562 118.700 0.286 0.000 2.550 87 N HA -0.092 4.644 4.740 -0.006 0.000 0.186 87 N C 0.590 176.286 175.510 0.311 0.000 1.110 87 N CA 1.107 54.309 53.050 0.254 0.000 0.912 87 N CB 0.120 38.649 38.487 0.070 0.000 0.968 87 N HN 0.259 nan 8.380 nan 0.000 0.448 88 D N 0.066 120.648 120.400 0.303 0.000 2.346 88 D HA 0.012 4.648 4.640 -0.006 0.000 0.206 88 D C 1.640 178.129 176.300 0.316 0.000 1.001 88 D CA 0.386 54.542 54.000 0.261 0.000 0.871 88 D CB 0.140 41.063 40.800 0.204 0.000 0.943 88 D HN 0.040 nan 8.370 nan 0.000 0.518 89 Q N -0.404 119.629 119.800 0.388 0.000 2.378 89 Q HA 0.027 4.363 4.340 -0.006 0.000 0.205 89 Q C -0.064 175.972 176.000 0.059 0.000 0.954 89 Q CA 0.339 56.319 55.803 0.294 0.000 0.901 89 Q CB -0.086 28.753 28.738 0.168 0.000 0.981 89 Q HN 0.300 nan 8.270 nan 0.000 0.483 90 F N 1.368 121.418 119.950 0.168 0.000 2.406 90 F HA 0.187 4.710 4.527 -0.006 0.000 0.358 90 F C 1.445 177.274 175.800 0.049 0.000 1.161 90 F CA -0.509 57.554 58.000 0.105 0.000 1.185 90 F CB 0.054 39.126 39.000 0.120 0.000 1.421 90 F HN -0.050 nan 8.300 nan 0.000 0.576 91 I N 0.195 120.785 120.570 0.032 0.000 4.057 91 I HA 0.188 4.354 4.170 -0.006 0.000 0.334 91 I C 0.471 176.581 176.117 -0.012 0.000 1.308 91 I CA -0.224 61.058 61.300 -0.029 0.000 1.125 91 I CB -0.248 37.620 38.000 -0.220 0.000 1.034 91 I HN 0.162 nan 8.210 nan 0.000 0.401 92 V N 0.169 120.094 119.914 0.018 0.000 3.178 92 V HA 0.127 4.244 4.120 -0.006 0.000 0.306 92 V C 0.143 176.276 176.094 0.066 0.000 1.107 92 V CA -0.094 62.232 62.300 0.043 0.000 1.195 92 V CB 0.475 32.339 31.823 0.068 0.000 0.993 92 V HN 0.204 nan 8.190 nan 0.000 0.493 93 D N 2.931 123.364 120.400 0.055 0.000 2.256 93 D HA 0.334 4.970 4.640 -0.006 0.000 0.250 93 D C -1.760 174.528 176.300 -0.020 0.000 1.093 93 D CA -1.857 52.148 54.000 0.008 0.000 0.882 93 D CB 1.985 42.776 40.800 -0.015 0.000 1.185 93 D HN 0.392 nan 8.370 nan 0.000 0.437 94 P HA -0.037 nan 4.420 nan 0.000 0.216 94 P C 0.203 177.434 177.300 -0.115 0.000 1.150 94 P CA 1.006 64.089 63.100 -0.029 0.000 0.837 94 P CB 0.222 31.852 31.700 -0.118 0.000 0.786 95 I N 0.595 121.020 120.570 -0.242 0.000 2.282 95 I HA 0.145 4.311 4.170 -0.006 0.000 0.290 95 I C 0.389 176.361 176.117 -0.242 0.000 1.090 95 I CA -0.308 60.856 61.300 -0.227 0.000 1.231 95 I CB 0.006 37.852 38.000 -0.257 0.000 1.434 95 I HN 0.052 nan 8.210 nan 0.000 0.487 96 Q N 4.657 124.237 119.800 -0.366 0.000 2.456 96 Q HA 0.742 5.078 4.340 -0.006 0.000 0.284 96 Q C -0.438 174.958 176.000 -1.008 0.000 1.061 96 Q CA -1.082 54.223 55.803 -0.830 0.000 0.799 96 Q CB 1.939 30.323 28.738 -0.590 0.000 1.445 96 Q HN 0.461 nan 8.270 nan 0.000 0.411 97 G N -0.769 106.902 108.800 -1.881 0.000 2.557 97 G HA2 0.476 4.432 3.960 -0.006 0.000 0.292 97 G HA3 0.476 4.432 3.960 -0.006 0.000 0.292 97 G C 0.657 175.259 174.900 -0.497 0.000 1.237 97 G CA -0.400 44.201 45.100 -0.830 0.000 0.978 97 G HN 1.493 nan 8.290 nan 0.000 0.498 98 G N -1.782 106.920 108.800 -0.164 0.000 2.137 98 G HA2 0.168 4.124 3.960 -0.006 0.000 0.237 98 G HA3 0.168 4.124 3.960 -0.006 0.000 0.237 98 G C 1.039 175.874 174.900 -0.109 0.000 1.002 98 G CA 1.060 46.120 45.100 -0.067 0.000 0.702 98 G HN 2.428 nan 8.290 nan 0.000 0.515 99 A N -1.264 121.479 122.820 -0.129 0.000 2.744 99 A HA 0.328 4.644 4.320 -0.006 0.000 0.300 99 A C 2.521 180.015 177.584 -0.151 0.000 1.512 99 A CA 1.950 53.935 52.037 -0.085 0.000 0.851 99 A CB -1.285 17.715 19.000 0.001 0.000 0.987 99 A HN 2.875 nan 8.150 nan 0.000 0.507 100 G N -4.237 104.343 108.800 -0.367 0.000 2.176 100 G HA2 -0.172 3.784 3.960 -0.006 0.000 0.232 100 G HA3 -0.172 3.784 3.960 -0.006 0.000 0.232 100 G C 1.066 175.604 174.900 -0.604 0.000 0.986 100 G CA 1.084 45.647 45.100 -0.894 0.000 0.643 100 G HN 1.351 nan 8.290 nan 0.000 0.522 101 T N 1.052 115.451 114.554 -0.258 0.000 2.759 101 T HA -0.086 4.260 4.350 -0.006 0.000 0.269 101 T C 2.568 177.218 174.700 -0.083 0.000 1.042 101 T CA 2.122 64.152 62.100 -0.115 0.000 1.140 101 T CB -0.220 68.633 68.868 -0.025 0.000 0.864 101 T HN 0.428 nan 8.240 nan 0.000 0.455 102 S N 0.697 116.356 115.700 -0.069 0.000 2.428 102 S HA 0.108 4.574 4.470 -0.006 0.000 0.230 102 S C 1.959 176.548 174.600 -0.018 0.000 1.014 102 S CA 0.577 58.779 58.200 0.002 0.000 0.957 102 S CB -0.262 62.993 63.200 0.092 0.000 0.784 102 S HN 0.456 nan 8.310 nan 0.000 0.499 103 I N 1.764 122.268 120.570 -0.111 0.000 2.353 103 I HA -0.128 4.038 4.170 -0.006 0.000 0.248 103 I C 2.406 178.565 176.117 0.071 0.000 1.119 103 I CA 0.796 62.090 61.300 -0.010 0.000 1.417 103 I CB -0.342 37.599 38.000 -0.099 0.000 1.078 103 I HN 0.258 nan 8.210 nan 0.000 0.421 104 N N 1.206 119.896 118.700 -0.016 0.000 2.080 104 N HA -0.177 4.559 4.740 -0.006 0.000 0.189 104 N C 1.864 177.417 175.510 0.072 0.000 1.036 104 N CA 1.719 54.813 53.050 0.073 0.000 0.846 104 N CB -0.042 38.471 38.487 0.044 0.000 1.015 104 N HN -0.009 nan 8.380 nan 0.000 0.423 105 M N 0.636 120.256 119.600 0.032 0.000 2.159 105 M HA -0.086 4.391 4.480 -0.006 0.000 0.263 105 M C 1.928 178.232 176.300 0.006 0.000 1.063 105 M CA 1.102 56.414 55.300 0.019 0.000 1.110 105 M CB -1.788 30.826 32.600 0.022 0.000 1.374 105 M HN 0.383 nan 8.290 nan 0.000 0.411 106 N N 0.143 118.852 118.700 0.016 0.000 2.104 106 N HA -0.115 4.621 4.740 -0.006 0.000 0.190 106 N C 1.629 177.037 175.510 -0.169 0.000 1.024 106 N CA 1.417 54.433 53.050 -0.057 0.000 0.853 106 N CB 0.117 38.597 38.487 -0.012 0.000 1.008 106 N HN 0.323 nan 8.380 nan 0.000 0.424 107 A N 0.629 123.478 122.820 0.049 0.000 1.897 107 A HA -0.066 4.251 4.320 -0.006 0.000 0.215 107 A C 1.971 179.583 177.584 0.047 0.000 1.181 107 A CA 0.984 53.121 52.037 0.167 0.000 0.620 107 A CB -0.473 18.798 19.000 0.452 0.000 0.821 107 A HN 0.349 nan 8.150 nan 0.000 0.443 108 N N 0.320 119.038 118.700 0.030 0.000 2.120 108 N HA -0.154 4.582 4.740 -0.006 0.000 0.188 108 N C 1.596 177.050 175.510 -0.093 0.000 1.024 108 N CA 1.691 54.731 53.050 -0.016 0.000 0.852 108 N CB -0.377 38.099 38.487 -0.019 0.000 1.003 108 N HN 0.672 nan 8.380 nan 0.000 0.424 109 E N 0.134 120.266 120.200 -0.114 0.000 2.152 109 E HA -0.035 4.312 4.350 -0.006 0.000 0.192 109 E C 1.934 178.463 176.600 -0.119 0.000 0.983 109 E CA 0.460 56.766 56.400 -0.158 0.000 0.818 109 E CB 0.153 29.805 29.700 -0.081 0.000 0.758 109 E HN 0.070 nan 8.360 nan 0.000 0.467 110 V N 1.332 121.162 119.914 -0.139 0.000 2.379 110 V HA -0.192 3.924 4.120 -0.006 0.000 0.245 110 V C 2.131 178.120 176.094 -0.175 0.000 1.044 110 V CA 1.295 63.492 62.300 -0.171 0.000 1.036 110 V CB -0.204 31.407 31.823 -0.353 0.000 0.664 110 V HN 0.254 nan 8.190 nan 0.000 0.453 111 I N 0.075 120.578 120.570 -0.112 0.000 2.546 111 I HA -0.135 4.031 4.170 -0.006 0.000 0.255 111 I C 2.485 178.562 176.117 -0.066 0.000 1.163 111 I CA 1.070 62.326 61.300 -0.073 0.000 1.457 111 I CB -0.344 37.658 38.000 0.003 0.000 1.092 111 I HN 0.283 nan 8.210 nan 0.000 0.434 112 A N 0.991 123.758 122.820 -0.089 0.000 1.855 112 A HA -0.132 4.185 4.320 -0.006 0.000 0.213 112 A C 2.042 179.585 177.584 -0.068 0.000 1.195 112 A CA 1.324 53.298 52.037 -0.105 0.000 0.610 112 A CB -0.478 18.391 19.000 -0.218 0.000 0.837 112 A HN 0.335 nan 8.150 nan 0.000 0.444 113 N N -0.442 118.232 118.700 -0.044 0.000 2.244 113 N HA -0.132 4.604 4.740 -0.006 0.000 0.183 113 N C 1.827 177.350 175.510 0.022 0.000 1.016 113 N CA 1.382 54.420 53.050 -0.019 0.000 0.866 113 N CB -0.363 38.078 38.487 -0.076 0.000 0.980 113 N HN 0.442 nan 8.380 nan 0.000 0.430 114 R N 1.441 121.987 120.500 0.077 0.000 2.075 114 R HA 0.109 4.445 4.340 -0.006 0.000 0.232 114 R C 1.945 178.267 176.300 0.037 0.000 1.126 114 R CA 1.458 57.590 56.100 0.055 0.000 0.963 114 R CB -0.822 29.285 30.300 -0.320 0.000 0.858 114 R HN 0.142 nan 8.270 nan 0.000 0.435 115 A N 0.437 123.265 122.820 0.013 0.000 1.933 115 A HA -0.097 4.220 4.320 -0.006 0.000 0.218 115 A C 2.253 179.828 177.584 -0.014 0.000 1.175 115 A CA 1.469 53.537 52.037 0.051 0.000 0.628 115 A CB -0.592 18.431 19.000 0.039 0.000 0.814 115 A HN 0.362 nan 8.150 nan 0.000 0.444 116 L N -1.073 120.122 121.223 -0.047 0.000 2.027 116 L HA -0.172 4.164 4.340 -0.006 0.000 0.206 116 L C 2.688 179.501 176.870 -0.096 0.000 1.074 116 L CA 1.752 56.536 54.840 -0.092 0.000 0.745 116 L CB -0.441 41.579 42.059 -0.064 0.000 0.898 116 L HN 0.585 nan 8.230 nan 0.000 0.433 117 E N 0.526 120.700 120.200 -0.044 0.000 2.110 117 E HA -0.236 4.110 4.350 -0.006 0.000 0.193 117 E C 2.367 178.966 176.600 -0.002 0.000 0.988 117 E CA 1.028 57.415 56.400 -0.021 0.000 0.804 117 E CB -0.012 29.713 29.700 0.041 0.000 0.745 117 E HN 0.447 nan 8.360 nan 0.000 0.458 118 L N 0.531 121.774 121.223 0.035 0.000 2.131 118 L HA -0.143 4.193 4.340 -0.006 0.000 0.210 118 L C 2.311 179.151 176.870 -0.050 0.000 1.092 118 L CA 1.086 55.992 54.840 0.110 0.000 0.759 118 L CB -0.251 41.985 42.059 0.295 0.000 0.903 118 L HN 0.381 nan 8.230 nan 0.000 0.435 119 M N -1.051 118.282 119.600 -0.445 0.000 2.859 119 M HA 0.408 4.885 4.480 -0.006 0.000 0.297 119 M C 0.595 176.693 176.300 -0.336 0.000 1.268 119 M CA -0.122 54.696 55.300 -0.803 0.000 1.003 119 M CB -0.069 31.694 32.600 -1.394 0.000 1.308 119 M HN 0.000 nan 8.290 nan 0.000 0.502 120 G N 1.317 110.015 108.800 -0.169 0.000 2.274 120 G HA2 -0.158 3.799 3.960 -0.006 0.000 0.251 120 G HA3 -0.158 3.799 3.960 -0.006 0.000 0.251 120 G C -0.646 174.185 174.900 -0.114 0.000 0.836 120 G CA 0.179 45.218 45.100 -0.101 0.000 1.246 120 G HN 0.687 nan 8.290 nan 0.000 0.355 121 E N 0.211 120.347 120.200 -0.106 0.000 2.435 121 E HA 0.389 4.735 4.350 -0.006 0.000 0.272 121 E C -0.628 175.916 176.600 -0.092 0.000 1.031 121 E CA -0.892 55.447 56.400 -0.101 0.000 0.872 121 E CB 0.918 30.547 29.700 -0.119 0.000 1.588 121 E HN 0.317 nan 8.360 nan 0.000 0.460 122 E N 1.570 121.716 120.200 -0.091 0.000 2.146 122 E HA 0.165 4.512 4.350 -0.006 0.000 0.282 122 E C -0.526 176.007 176.600 -0.110 0.000 0.989 122 E CA -0.400 55.939 56.400 -0.102 0.000 0.799 122 E CB 0.809 30.449 29.700 -0.100 0.000 1.088 122 E HN 0.285 nan 8.360 nan 0.000 0.397 123 K N 1.182 121.499 120.400 -0.138 0.000 2.294 123 K HA 0.421 4.737 4.320 -0.006 0.000 0.288 123 K C 0.713 177.217 176.600 -0.160 0.000 1.072 123 K CA -0.137 56.065 56.287 -0.141 0.000 0.960 123 K CB 0.158 32.504 32.500 -0.258 0.000 1.043 123 K HN 0.594 nan 8.250 nan 0.000 0.455 124 G N 2.822 111.522 108.800 -0.168 0.000 3.254 124 G HA2 -0.209 3.747 3.960 -0.006 0.000 0.219 124 G HA3 -0.209 3.747 3.960 -0.006 0.000 0.219 124 G C -0.379 174.190 174.900 -0.552 0.000 0.964 124 G CA -0.674 44.153 45.100 -0.455 0.000 0.823 124 G HN 0.680 nan 8.290 nan 0.000 0.579 125 N N 0.612 119.177 118.700 -0.226 0.000 2.968 125 N HA 0.268 5.004 4.740 -0.006 0.000 0.271 125 N C 0.306 175.854 175.510 0.063 0.000 1.174 125 N CA -0.534 52.443 53.050 -0.122 0.000 1.096 125 N CB -0.147 38.293 38.487 -0.078 0.000 1.403 125 N HN 0.435 nan 8.380 nan 0.000 0.522 126 Y N 0.718 120.982 120.300 -0.060 0.000 2.473 126 Y HA -0.018 4.528 4.550 -0.006 0.000 0.329 126 Y C 1.948 177.830 175.900 -0.031 0.000 1.207 126 Y CA -0.574 57.497 58.100 -0.047 0.000 1.266 126 Y CB 0.299 38.746 38.460 -0.020 0.000 1.091 126 Y HN 0.484 nan 8.280 nan 0.000 0.501 127 S N -0.407 115.348 115.700 0.092 0.000 2.499 127 S HA -0.010 4.456 4.470 -0.006 0.000 0.225 127 S C 2.097 176.703 174.600 0.011 0.000 1.050 127 S CA 0.183 58.417 58.200 0.056 0.000 0.928 127 S CB 0.207 63.421 63.200 0.023 0.000 0.803 127 S HN 0.219 nan 8.310 nan 0.000 0.506 128 K N 0.880 121.257 120.400 -0.038 0.000 2.044 128 K HA 0.261 4.577 4.320 -0.006 0.000 0.204 128 K C 0.221 176.657 176.600 -0.273 0.000 1.049 128 K CA 0.825 57.050 56.287 -0.104 0.000 0.945 128 K CB 0.030 32.475 32.500 -0.092 0.000 0.724 128 K HN 0.382 nan 8.250 nan 0.000 0.440 129 I N 0.915 121.325 120.570 -0.267 0.000 2.503 129 I HA 0.067 4.233 4.170 -0.006 0.000 0.282 129 I C -0.672 175.296 176.117 -0.250 0.000 1.059 129 I CA -0.477 60.552 61.300 -0.453 0.000 1.081 129 I CB 2.020 39.876 38.000 -0.240 0.000 1.210 129 I HN -0.152 nan 8.210 nan 0.000 0.450 130 S N 7.966 123.565 115.700 -0.167 0.000 2.452 130 S HA 0.379 4.845 4.470 -0.006 0.000 0.284 130 S C -1.209 173.377 174.600 -0.024 0.000 1.171 130 S CA -1.561 56.671 58.200 0.053 0.000 1.064 130 S CB 0.982 64.348 63.200 0.278 0.000 0.967 130 S HN 0.441 nan 8.310 nan 0.000 0.484 131 P HA -0.077 nan 4.420 nan 0.000 0.222 131 P C 0.547 177.797 177.300 -0.084 0.000 1.147 131 P CA 1.080 64.060 63.100 -0.200 0.000 0.790 131 P CB 0.075 31.550 31.700 -0.376 0.000 0.780 132 N N -1.314 117.351 118.700 -0.058 0.000 2.368 132 N HA 0.065 4.801 4.740 -0.006 0.000 0.178 132 N C 1.405 176.918 175.510 0.005 0.000 1.076 132 N CA 0.121 53.164 53.050 -0.012 0.000 0.889 132 N CB 0.467 38.953 38.487 -0.001 0.000 1.040 132 N HN -0.083 nan 8.380 nan 0.000 0.463 133 S N -1.339 114.383 115.700 0.036 0.000 2.506 133 S HA 0.135 4.601 4.470 -0.006 0.000 0.219 133 S C 0.615 175.129 174.600 -0.143 0.000 1.031 133 S CA 0.114 58.294 58.200 -0.034 0.000 0.911 133 S CB 0.245 63.429 63.200 -0.027 0.000 0.812 133 S HN 0.344 nan 8.310 nan 0.000 0.497 134 H N 0.158 119.211 119.070 -0.029 0.000 2.336 134 H HA 0.277 4.830 4.556 -0.006 0.000 0.307 134 H C 2.115 177.433 175.328 -0.016 0.000 1.056 134 H CA 0.855 56.891 56.048 -0.020 0.000 1.471 134 H CB -0.574 29.179 29.762 -0.014 0.000 1.502 134 H HN 0.034 nan 8.280 nan 0.000 0.630 135 V N 1.106 121.093 119.914 0.122 0.000 2.332 135 V HA -0.220 3.896 4.120 -0.006 0.000 0.248 135 V C 1.207 177.331 176.094 0.050 0.000 1.055 135 V CA 2.003 64.341 62.300 0.063 0.000 1.038 135 V CB -0.503 31.334 31.823 0.023 0.000 0.651 135 V HN 0.388 nan 8.190 nan 0.000 0.450 136 N N -0.119 118.601 118.700 0.033 0.000 2.455 136 N HA 0.169 4.906 4.740 -0.006 0.000 0.258 136 N C 0.019 175.531 175.510 0.004 0.000 1.158 136 N CA -0.019 53.049 53.050 0.030 0.000 0.893 136 N CB -0.139 38.362 38.487 0.024 0.000 1.173 136 N HN 0.457 nan 8.380 nan 0.000 0.503 137 M N 0.012 119.602 119.600 -0.015 0.000 2.274 137 M HA 0.128 4.605 4.480 -0.006 0.000 0.344 137 M C 0.198 176.419 176.300 -0.133 0.000 1.161 137 M CA 0.174 55.426 55.300 -0.080 0.000 1.126 137 M CB 0.658 33.196 32.600 -0.104 0.000 1.522 137 M HN 0.248 nan 8.290 nan 0.000 0.461 138 S N 1.546 117.120 115.700 -0.210 0.000 3.521 138 S HA -0.202 4.264 4.470 -0.006 0.000 0.328 138 S C -0.650 173.869 174.600 -0.134 0.000 1.165 138 S CA 1.436 59.412 58.200 -0.373 0.000 0.941 138 S CB -1.876 60.693 63.200 -1.051 0.000 0.951 138 S HN 0.840 nan 8.310 nan 0.000 0.539 139 Q N -1.337 118.455 119.800 -0.013 0.000 2.435 139 Q HA 0.788 5.124 4.340 -0.006 0.000 0.282 139 Q C -0.973 175.065 176.000 0.063 0.000 1.020 139 Q CA -0.810 55.042 55.803 0.082 0.000 0.820 139 Q CB 2.010 30.827 28.738 0.132 0.000 1.436 139 Q HN 0.111 nan 8.270 nan 0.000 0.395 140 S N -0.337 115.414 115.700 0.085 0.000 2.638 140 S HA 0.383 4.849 4.470 -0.006 0.000 0.302 140 S C 0.405 175.067 174.600 0.103 0.000 1.096 140 S CA -0.250 57.996 58.200 0.076 0.000 0.953 140 S CB 1.792 65.034 63.200 0.069 0.000 1.107 140 S HN 0.626 nan 8.310 nan 0.000 0.503 141 T N 2.875 117.484 114.554 0.092 0.000 3.025 141 T HA -0.035 4.312 4.350 -0.006 0.000 0.270 141 T C 1.006 175.812 174.700 0.177 0.000 1.126 141 T CA 1.042 63.211 62.100 0.114 0.000 1.105 141 T CB -0.353 68.550 68.868 0.059 0.000 0.884 141 T HN 0.504 nan 8.240 nan 0.000 0.522 142 N N 1.493 120.284 118.700 0.151 0.000 2.336 142 N HA 0.009 4.745 4.740 -0.006 0.000 0.189 142 N C 0.983 176.591 175.510 0.164 0.000 1.113 142 N CA 0.560 53.713 53.050 0.171 0.000 0.858 142 N CB 0.354 38.918 38.487 0.128 0.000 0.970 142 N HN 0.649 nan 8.380 nan 0.000 0.471 143 D N -1.444 119.048 120.400 0.155 0.000 2.399 143 D HA 0.168 4.804 4.640 -0.006 0.000 0.269 143 D C 1.337 177.713 176.300 0.127 0.000 1.105 143 D CA -0.005 54.067 54.000 0.119 0.000 0.844 143 D CB -0.320 40.543 40.800 0.104 0.000 1.372 143 D HN -0.049 nan 8.370 nan 0.000 0.517 144 A N 0.345 123.269 122.820 0.173 0.000 1.903 144 A HA 0.108 4.424 4.320 -0.006 0.000 0.213 144 A C 1.901 179.633 177.584 0.247 0.000 1.185 144 A CA 0.771 52.918 52.037 0.184 0.000 0.628 144 A CB -0.941 18.169 19.000 0.183 0.000 0.830 144 A HN 0.167 nan 8.150 nan 0.000 0.446 145 F N 2.107 122.130 119.950 0.122 0.000 2.051 145 F HA -0.055 4.468 4.527 -0.006 0.000 0.296 145 F C -0.446 175.462 175.800 0.181 0.000 1.122 145 F CA 1.667 59.764 58.000 0.162 0.000 1.201 145 F CB -1.143 37.965 39.000 0.182 0.000 0.978 145 F HN 0.163 nan 8.300 nan 0.000 0.472 146 P HA -0.149 nan 4.420 nan 0.000 0.215 146 P C 1.621 178.826 177.300 -0.159 0.000 1.157 146 P CA 2.436 65.498 63.100 -0.062 0.000 0.868 146 P CB -0.452 31.298 31.700 0.084 0.000 0.788 147 T N 0.648 115.134 114.554 -0.113 0.000 2.684 147 T HA -0.152 4.194 4.350 -0.006 0.000 0.267 147 T C 2.134 176.826 174.700 -0.015 0.000 1.036 147 T CA 2.042 64.080 62.100 -0.103 0.000 1.148 147 T CB -1.013 67.844 68.868 -0.017 0.000 0.863 147 T HN 0.125 nan 8.240 nan 0.000 0.436 148 A N 1.235 124.068 122.820 0.021 0.000 1.940 148 A HA -0.145 4.172 4.320 -0.006 0.000 0.219 148 A C 2.552 180.117 177.584 -0.031 0.000 1.176 148 A CA 2.137 54.200 52.037 0.043 0.000 0.631 148 A CB -1.192 17.876 19.000 0.113 0.000 0.814 148 A HN 0.512 nan 8.150 nan 0.000 0.446 149 T N -1.106 113.353 114.554 -0.158 0.000 2.737 149 T HA -0.112 4.234 4.350 -0.006 0.000 0.265 149 T C 1.754 176.352 174.700 -0.170 0.000 1.038 149 T CA 1.366 63.268 62.100 -0.330 0.000 1.144 149 T CB -0.541 67.796 68.868 -0.884 0.000 0.866 149 T HN 0.674 nan 8.240 nan 0.000 0.434 150 H N 0.504 119.446 119.070 -0.215 0.000 2.319 150 H HA -0.050 4.503 4.556 -0.006 0.000 0.297 150 H C 2.334 177.570 175.328 -0.152 0.000 1.097 150 H CA 1.346 57.311 56.048 -0.138 0.000 1.285 150 H CB -0.194 29.523 29.762 -0.075 0.000 1.368 150 H HN 0.284 nan 8.280 nan 0.000 0.495 151 I N 0.498 121.093 120.570 0.041 0.000 2.226 151 I HA -0.247 3.919 4.170 -0.006 0.000 0.245 151 I C 2.895 179.013 176.117 0.001 0.000 1.100 151 I CA 0.816 62.131 61.300 0.025 0.000 1.374 151 I CB -0.311 37.761 38.000 0.121 0.000 1.057 151 I HN 0.239 nan 8.210 nan 0.000 0.413 152 A N 0.610 123.413 122.820 -0.028 0.000 1.858 152 A HA -0.165 4.151 4.320 -0.006 0.000 0.216 152 A C 2.428 179.946 177.584 -0.110 0.000 1.190 152 A CA 1.859 53.862 52.037 -0.056 0.000 0.617 152 A CB -1.086 17.862 19.000 -0.086 0.000 0.827 152 A HN 0.215 nan 8.150 nan 0.000 0.443 153 V N 0.087 119.902 119.914 -0.164 0.000 2.332 153 V HA -0.293 3.824 4.120 -0.006 0.000 0.248 153 V C 2.599 178.598 176.094 -0.159 0.000 1.055 153 V CA 2.099 64.289 62.300 -0.183 0.000 1.038 153 V CB -0.811 30.883 31.823 -0.216 0.000 0.651 153 V HN 0.551 nan 8.190 nan 0.000 0.450 154 L N -0.506 120.597 121.223 -0.199 0.000 2.017 154 L HA -0.163 4.173 4.340 -0.006 0.000 0.208 154 L C 2.676 179.534 176.870 -0.020 0.000 1.073 154 L CA 1.822 56.515 54.840 -0.246 0.000 0.745 154 L CB -0.615 41.050 42.059 -0.655 0.000 0.894 154 L HN 0.289 nan 8.230 nan 0.000 0.432 155 S N 0.025 115.798 115.700 0.121 0.000 2.353 155 S HA -0.194 4.273 4.470 -0.006 0.000 0.222 155 S C 1.968 176.616 174.600 0.081 0.000 1.035 155 S CA 1.367 59.709 58.200 0.238 0.000 1.025 155 S CB -0.430 62.893 63.200 0.206 0.000 0.902 155 S HN 0.258 nan 8.310 nan 0.000 0.440 156 L N 0.622 121.840 121.223 -0.009 0.000 2.012 156 L HA -0.158 4.178 4.340 -0.006 0.000 0.210 156 L C 2.377 179.225 176.870 -0.036 0.000 1.073 156 L CA 0.849 55.653 54.840 -0.060 0.000 0.748 156 L CB -0.507 41.456 42.059 -0.160 0.000 0.891 156 L HN 0.267 nan 8.230 nan 0.000 0.431 157 L N 0.141 121.338 121.223 -0.042 0.000 2.043 157 L HA -0.255 4.081 4.340 -0.006 0.000 0.212 157 L C 2.358 179.238 176.870 0.016 0.000 1.075 157 L CA 1.733 56.555 54.840 -0.031 0.000 0.752 157 L CB -1.124 40.898 42.059 -0.062 0.000 0.891 157 L HN 0.323 nan 8.230 nan 0.000 0.432 158 N N -0.797 117.933 118.700 0.051 0.000 2.120 158 N HA -0.190 4.547 4.740 -0.006 0.000 0.188 158 N C 1.750 177.296 175.510 0.061 0.000 1.024 158 N CA 1.012 54.106 53.050 0.073 0.000 0.852 158 N CB -0.218 38.335 38.487 0.110 0.000 1.003 158 N HN 0.485 nan 8.380 nan 0.000 0.424 159 Q N 0.322 120.152 119.800 0.050 0.000 2.135 159 Q HA -0.126 4.210 4.340 -0.006 0.000 0.204 159 Q C 2.114 178.152 176.000 0.063 0.000 0.981 159 Q CA 0.795 56.626 55.803 0.047 0.000 0.856 159 Q CB -0.338 28.420 28.738 0.034 0.000 0.902 159 Q HN 0.296 nan 8.270 nan 0.000 0.425 160 L N 0.599 121.855 121.223 0.055 0.000 2.027 160 L HA -0.108 4.228 4.340 -0.006 0.000 0.206 160 L C 2.106 179.059 176.870 0.140 0.000 1.074 160 L CA 1.372 56.265 54.840 0.089 0.000 0.745 160 L CB -0.544 41.538 42.059 0.039 0.000 0.898 160 L HN 0.107 nan 8.230 nan 0.000 0.433 161 I N -0.235 120.394 120.570 0.098 0.000 2.194 161 I HA -0.278 3.888 4.170 -0.006 0.000 0.246 161 I C 2.359 178.541 176.117 0.108 0.000 1.093 161 I CA 1.286 62.644 61.300 0.096 0.000 1.355 161 I CB -0.483 37.558 38.000 0.068 0.000 1.046 161 I HN 0.343 nan 8.210 nan 0.000 0.413 162 E N 0.258 120.518 120.200 0.100 0.000 2.107 162 E HA -0.112 4.234 4.350 -0.006 0.000 0.191 162 E C 2.209 178.896 176.600 0.144 0.000 0.982 162 E CA 1.269 57.730 56.400 0.101 0.000 0.809 162 E CB -0.485 29.254 29.700 0.066 0.000 0.756 162 E HN 0.430 nan 8.360 nan 0.000 0.459 163 T N 0.612 115.265 114.554 0.166 0.000 2.995 163 T HA -0.044 4.302 4.350 -0.006 0.000 0.269 163 T C 1.746 176.613 174.700 0.279 0.000 1.091 163 T CA 1.421 63.661 62.100 0.233 0.000 1.128 163 T CB -0.052 68.961 68.868 0.241 0.000 0.891 163 T HN 0.139 nan 8.240 nan 0.000 0.492 164 T N 1.243 115.934 114.554 0.228 0.000 3.009 164 T HA 0.106 4.452 4.350 -0.006 0.000 0.258 164 T C 1.958 176.704 174.700 0.076 0.000 1.063 164 T CA 0.476 62.636 62.100 0.100 0.000 1.139 164 T CB 0.054 68.990 68.868 0.113 0.000 0.890 164 T HN 0.311 nan 8.240 nan 0.000 0.471 165 K N 0.261 120.732 120.400 0.118 0.000 2.147 165 K HA -0.097 4.219 4.320 -0.006 0.000 0.205 165 K C 2.015 178.706 176.600 0.152 0.000 1.049 165 K CA 1.158 57.510 56.287 0.109 0.000 0.936 165 K CB -0.199 32.365 32.500 0.108 0.000 0.722 165 K HN 0.313 nan 8.250 nan 0.000 0.446 166 Y N 1.404 121.737 120.300 0.056 0.000 2.153 166 Y HA -0.184 4.363 4.550 -0.006 0.000 0.289 166 Y C 2.251 178.197 175.900 0.076 0.000 1.127 166 Y CA 1.528 59.663 58.100 0.058 0.000 1.131 166 Y CB -0.272 38.223 38.460 0.059 0.000 0.995 166 Y HN -0.037 nan 8.280 nan 0.000 0.505 167 M N -0.242 119.396 119.600 0.063 0.000 2.065 167 M HA -0.267 4.209 4.480 -0.006 0.000 0.259 167 M C 2.350 178.751 176.300 0.168 0.000 1.069 167 M CA 2.229 57.556 55.300 0.046 0.000 1.110 167 M CB -0.488 32.148 32.600 0.060 0.000 1.328 167 M HN 0.320 nan 8.290 nan 0.000 0.405 168 Q N 0.207 120.072 119.800 0.108 0.000 2.152 168 Q HA -0.244 4.093 4.340 -0.006 0.000 0.206 168 Q C 1.905 177.987 176.000 0.136 0.000 0.985 168 Q CA 1.875 57.743 55.803 0.109 0.000 0.863 168 Q CB -0.374 28.367 28.738 0.006 0.000 0.904 168 Q HN 0.632 nan 8.270 nan 0.000 0.422 169 Q N 0.178 120.008 119.800 0.051 0.000 2.123 169 Q HA -0.119 4.217 4.340 -0.006 0.000 0.199 169 Q C 1.784 177.763 176.000 -0.035 0.000 0.966 169 Q CA 1.156 56.967 55.803 0.014 0.000 0.845 169 Q CB -0.077 28.661 28.738 0.001 0.000 0.907 169 Q HN 0.329 nan 8.270 nan 0.000 0.439 170 E N -0.409 119.709 120.200 -0.138 0.000 2.268 170 E HA -0.082 4.264 4.350 -0.006 0.000 0.195 170 E C 1.344 177.871 176.600 -0.121 0.000 0.995 170 E CA 0.493 56.761 56.400 -0.220 0.000 0.836 170 E CB -0.168 29.296 29.700 -0.393 0.000 0.763 170 E HN 0.216 nan 8.360 nan 0.000 0.491 171 F N -0.713 119.226 119.950 -0.018 0.000 2.325 171 F HA -0.067 4.457 4.527 -0.006 0.000 0.299 171 F C 2.027 177.895 175.800 0.115 0.000 1.090 171 F CA 0.773 58.849 58.000 0.127 0.000 1.392 171 F CB 0.061 39.147 39.000 0.144 0.000 1.053 171 F HN 0.121 nan 8.300 nan 0.000 0.521 172 M N -0.225 119.493 119.600 0.198 0.000 2.193 172 M HA -0.117 4.359 4.480 -0.006 0.000 0.265 172 M C 2.010 178.310 176.300 -0.001 0.000 1.071 172 M CA 1.432 56.797 55.300 0.107 0.000 1.140 172 M CB -0.865 31.777 32.600 0.070 0.000 1.369 172 M HN 0.030 nan 8.290 nan 0.000 0.423 173 K N -0.127 120.234 120.400 -0.064 0.000 2.152 173 K HA -0.156 4.160 4.320 -0.006 0.000 0.206 173 K C 1.917 178.358 176.600 -0.265 0.000 1.048 173 K CA 0.917 57.118 56.287 -0.143 0.000 0.933 173 K CB -0.024 32.380 32.500 -0.160 0.000 0.721 173 K HN 0.145 nan 8.250 nan 0.000 0.447 174 K N 0.291 120.498 120.400 -0.321 0.000 2.167 174 K HA 0.042 4.358 4.320 -0.006 0.000 0.203 174 K C 2.083 178.333 176.600 -0.583 0.000 1.052 174 K CA 0.906 56.782 56.287 -0.685 0.000 0.956 174 K CB -0.084 31.990 32.500 -0.709 0.000 0.735 174 K HN 0.114 nan 8.250 nan 0.000 0.451 175 A N 1.885 124.623 122.820 -0.136 0.000 1.902 175 A HA -0.178 4.138 4.320 -0.006 0.000 0.217 175 A C 1.843 179.419 177.584 -0.013 0.000 1.181 175 A CA 1.776 53.844 52.037 0.052 0.000 0.623 175 A CB -0.276 18.812 19.000 0.146 0.000 0.818 175 A HN 0.193 nan 8.150 nan 0.000 0.443 176 D N -1.053 119.306 120.400 -0.069 0.000 2.137 176 D HA -0.108 4.528 4.640 -0.006 0.000 0.202 176 D C 1.901 178.137 176.300 -0.107 0.000 0.970 176 D CA 1.214 55.184 54.000 -0.049 0.000 0.837 176 D CB -0.252 40.520 40.800 -0.046 0.000 0.981 176 D HN 0.691 nan 8.370 nan 0.000 0.475 177 E N -0.247 119.790 120.200 -0.272 0.000 2.130 177 E HA -0.187 4.159 4.350 -0.006 0.000 0.196 177 E C 0.754 177.235 176.600 -0.198 0.000 0.998 177 E CA 0.977 57.161 56.400 -0.360 0.000 0.806 177 E CB 0.048 29.325 29.700 -0.706 0.000 0.738 177 E HN 0.150 nan 8.360 nan 0.000 0.459 178 F N -0.704 119.177 119.950 -0.116 0.000 2.647 178 F HA 0.399 4.922 4.527 -0.007 0.000 0.300 178 F C 1.530 177.321 175.800 -0.015 0.000 1.106 178 F CA -0.090 57.858 58.000 -0.087 0.000 1.313 178 F CB -0.200 38.705 39.000 -0.158 0.000 1.007 178 F HN 0.011 nan 8.300 nan 0.000 0.536 179 A N 0.227 123.135 122.820 0.148 0.000 2.131 179 A HA 0.015 4.331 4.320 -0.006 0.000 0.220 179 A C 2.430 180.109 177.584 0.158 0.000 1.158 179 A CA 1.822 53.944 52.037 0.142 0.000 0.665 179 A CB -0.938 18.127 19.000 0.109 0.000 0.795 179 A HN 0.420 nan 8.150 nan 0.000 0.460 180 G N -1.403 107.482 108.800 0.143 0.000 2.850 180 G HA2 0.335 4.292 3.960 -0.006 0.000 0.211 180 G HA3 0.335 4.292 3.960 -0.006 0.000 0.211 180 G C 0.306 175.269 174.900 0.105 0.000 1.124 180 G CA 0.295 45.473 45.100 0.129 0.000 0.769 180 G HN 0.208 nan 8.290 nan 0.000 0.535 181 V N 2.323 122.299 119.914 0.104 0.000 2.458 181 V HA 0.153 4.270 4.120 -0.006 0.000 0.287 181 V C 0.247 176.363 176.094 0.035 0.000 1.009 181 V CA -0.312 62.015 62.300 0.046 0.000 1.091 181 V CB 0.604 32.413 31.823 -0.023 0.000 0.960 181 V HN 0.227 nan 8.190 nan 0.000 0.476 182 I N 6.655 127.242 120.570 0.028 0.000 2.488 182 I HA 0.639 4.805 4.170 -0.006 0.000 0.299 182 I C 0.085 176.216 176.117 0.025 0.000 0.984 182 I CA 0.148 61.464 61.300 0.027 0.000 1.250 182 I CB 1.070 39.090 38.000 0.033 0.000 1.389 182 I HN 0.877 nan 8.210 nan 0.000 0.488 183 K N 5.286 125.704 120.400 0.029 0.000 2.454 183 K HA 0.531 4.847 4.320 -0.006 0.000 0.279 183 K C -1.586 175.037 176.600 0.038 0.000 1.020 183 K CA -1.025 55.294 56.287 0.055 0.000 0.850 183 K CB 0.710 33.245 32.500 0.058 0.000 1.529 183 K HN 0.267 nan 8.250 nan 0.000 0.390 184 M N 1.940 121.566 119.600 0.043 0.000 2.129 184 M HA 0.344 4.820 4.480 -0.006 0.000 0.348 184 M C -0.017 176.270 176.300 -0.021 0.000 1.116 184 M CA -0.431 54.863 55.300 -0.009 0.000 1.022 184 M CB 0.826 33.388 32.600 -0.064 0.000 1.599 184 M HN 0.870 nan 8.290 nan 0.000 0.449 185 G N 4.350 113.133 108.800 -0.029 0.000 2.390 185 G HA2 0.547 4.504 3.960 -0.006 0.000 0.270 185 G HA3 0.547 4.504 3.960 -0.006 0.000 0.270 185 G C -0.401 174.480 174.900 -0.032 0.000 1.211 185 G CA -0.600 44.483 45.100 -0.029 0.000 0.842 185 G HN 0.674 nan 8.290 nan 0.000 0.519 186 R N 0.770 121.257 120.500 -0.023 0.000 2.480 186 R HA 0.518 4.854 4.340 -0.006 0.000 0.306 186 R C -0.623 175.676 176.300 -0.003 0.000 0.958 186 R CA -0.670 55.420 56.100 -0.017 0.000 0.861 186 R CB 1.941 32.229 30.300 -0.020 0.000 1.171 186 R HN 0.641 nan 8.270 nan 0.000 0.445 187 T N -0.709 113.860 114.554 0.024 0.000 2.809 187 T HA 0.285 4.631 4.350 -0.006 0.000 0.284 187 T C 0.358 175.149 174.700 0.153 0.000 0.992 187 T CA -0.649 61.475 62.100 0.040 0.000 0.957 187 T CB 0.801 69.715 68.868 0.076 0.000 0.942 187 T HN 0.873 nan 8.240 nan 0.000 0.439 188 H N 1.886 120.943 119.070 -0.022 0.000 3.433 188 H HA -0.141 4.410 4.556 -0.007 0.000 0.197 188 H C 1.011 176.327 175.328 -0.019 0.000 1.059 188 H CA 0.766 56.802 56.048 -0.020 0.000 1.185 188 H CB -1.211 28.535 29.762 -0.025 0.000 1.106 188 H HN 0.855 nan 8.280 nan 0.000 0.329 189 L N -1.973 119.290 121.223 0.066 0.000 5.044 189 L HA -0.256 4.080 4.340 -0.006 0.000 0.412 189 L C 0.634 177.516 176.870 0.020 0.000 0.971 189 L CA 1.198 56.057 54.840 0.031 0.000 1.411 189 L CB -0.860 41.218 42.059 0.030 0.000 1.884 189 L HN 0.203 nan 8.230 nan 0.000 0.631 190 Q N 1.039 120.863 119.800 0.041 0.000 2.241 190 Q HA 0.339 4.676 4.340 -0.006 0.000 0.254 190 Q C -0.266 175.719 176.000 -0.026 0.000 0.917 190 Q CA -0.307 55.495 55.803 -0.002 0.000 0.919 190 Q CB 1.101 29.833 28.738 -0.010 0.000 1.237 190 Q HN -0.003 nan 8.270 nan 0.000 0.434 191 D N 1.768 122.131 120.400 -0.061 0.000 2.525 191 D HA 0.187 4.823 4.640 -0.006 0.000 0.235 191 D C -0.461 175.802 176.300 -0.062 0.000 1.137 191 D CA 0.514 54.467 54.000 -0.078 0.000 0.868 191 D CB 0.959 41.699 40.800 -0.099 0.000 1.180 191 D HN 0.614 nan 8.370 nan 0.000 0.465 192 A N 2.183 124.972 122.820 -0.052 0.000 3.474 192 A HA 0.675 4.992 4.320 -0.006 0.000 0.187 192 A C -0.032 177.526 177.584 -0.043 0.000 1.195 192 A CA -0.041 51.971 52.037 -0.041 0.000 1.405 192 A CB 0.018 19.003 19.000 -0.025 0.000 1.629 192 A HN 0.442 nan 8.150 nan 0.000 0.632 193 V N -2.629 117.263 119.914 -0.038 0.000 3.096 193 V HA 0.674 4.790 4.120 -0.006 0.000 0.319 193 V C -2.988 173.084 176.094 -0.037 0.000 1.082 193 V CA -2.495 59.783 62.300 -0.036 0.000 1.022 193 V CB 0.721 32.523 31.823 -0.035 0.000 1.103 193 V HN 0.516 nan 8.190 nan 0.000 0.455 194 P HA 0.463 nan 4.420 nan 0.000 0.269 194 P C -0.633 176.635 177.300 -0.054 0.000 1.215 194 P CA 0.215 63.297 63.100 -0.030 0.000 0.780 194 P CB 0.472 32.162 31.700 -0.018 0.000 0.898 195 I N 0.436 120.977 120.570 -0.048 0.000 2.908 195 I HA 0.256 4.423 4.170 -0.006 0.000 0.300 195 I C -1.638 174.452 176.117 -0.045 0.000 1.385 195 I CA -1.036 60.220 61.300 -0.073 0.000 1.004 195 I CB 1.381 39.340 38.000 -0.068 0.000 1.309 195 I HN 0.003 nan 8.210 nan 0.000 0.449 196 L N 6.322 127.510 121.223 -0.058 0.000 2.326 196 L HA 0.260 4.597 4.340 -0.006 0.000 0.278 196 L C 1.131 178.027 176.870 0.044 0.000 1.092 196 L CA 0.057 54.897 54.840 -0.001 0.000 0.810 196 L CB 1.634 43.695 42.059 0.003 0.000 1.153 196 L HN 0.819 nan 8.230 nan 0.000 0.439 197 L N 2.986 124.257 121.223 0.079 0.000 2.043 197 L HA -0.186 4.151 4.340 -0.006 0.000 0.212 197 L C 2.135 179.181 176.870 0.294 0.000 1.075 197 L CA 1.748 56.684 54.840 0.160 0.000 0.752 197 L CB -0.144 41.941 42.059 0.043 0.000 0.891 197 L HN 0.932 nan 8.230 nan 0.000 0.432 198 G N -1.374 107.572 108.800 0.242 0.000 2.448 198 G HA2 -0.264 3.693 3.960 -0.006 0.000 0.219 198 G HA3 -0.264 3.693 3.960 -0.006 0.000 0.219 198 G C 1.398 176.392 174.900 0.156 0.000 1.127 198 G CA 0.383 45.624 45.100 0.236 0.000 0.766 198 G HN 0.466 nan 8.290 nan 0.000 0.552 199 Q N -0.172 119.671 119.800 0.072 0.000 2.172 199 Q HA -0.019 4.317 4.340 -0.006 0.000 0.200 199 Q C 2.420 178.374 176.000 -0.076 0.000 0.964 199 Q CA 1.044 56.842 55.803 -0.008 0.000 0.855 199 Q CB -0.007 28.688 28.738 -0.072 0.000 0.918 199 Q HN 0.603 nan 8.270 nan 0.000 0.444 200 E N 0.052 120.193 120.200 -0.098 0.000 2.046 200 E HA -0.122 4.225 4.350 -0.006 0.000 0.190 200 E C 1.598 177.777 176.600 -0.702 0.000 0.982 200 E CA 0.727 56.903 56.400 -0.373 0.000 0.800 200 E CB -0.059 29.473 29.700 -0.281 0.000 0.756 200 E HN 0.263 nan 8.360 nan 0.000 0.449 201 F N 1.470 121.238 119.950 -0.303 0.000 2.293 201 F HA -0.132 4.392 4.527 -0.005 0.000 0.300 201 F C 2.432 178.234 175.800 0.003 0.000 1.086 201 F CA 1.252 59.214 58.000 -0.063 0.000 1.375 201 F CB 0.116 39.242 39.000 0.209 0.000 1.045 201 F HN 0.034 nan 8.300 nan 0.000 0.516 202 E N 0.165 120.426 120.200 0.101 0.000 2.112 202 E HA -0.114 4.232 4.350 -0.006 0.000 0.190 202 E C 2.346 178.939 176.600 -0.013 0.000 0.979 202 E CA 0.833 57.279 56.400 0.077 0.000 0.814 202 E CB -0.138 29.598 29.700 0.061 0.000 0.762 202 E HN 0.254 nan 8.360 nan 0.000 0.460 203 A N 0.409 123.152 122.820 -0.127 0.000 1.948 203 A HA -0.214 4.103 4.320 -0.006 0.000 0.220 203 A C 1.829 179.368 177.584 -0.074 0.000 1.177 203 A CA 1.582 53.533 52.037 -0.143 0.000 0.636 203 A CB -0.890 17.967 19.000 -0.238 0.000 0.815 203 A HN 0.415 nan 8.150 nan 0.000 0.449 204 Y N -0.393 119.847 120.300 -0.100 0.000 2.163 204 Y HA -0.001 4.545 4.550 -0.007 0.000 0.288 204 Y C 2.975 178.684 175.900 -0.319 0.000 1.136 204 Y CA 0.177 58.123 58.100 -0.256 0.000 1.147 204 Y CB -1.337 36.925 38.460 -0.329 0.000 0.987 204 Y HN 0.318 nan 8.280 nan 0.000 0.509 205 A N 0.541 123.359 122.820 -0.003 0.000 1.933 205 A HA -0.204 4.112 4.320 -0.006 0.000 0.218 205 A C 2.357 179.915 177.584 -0.043 0.000 1.175 205 A CA 1.618 53.641 52.037 -0.025 0.000 0.628 205 A CB -0.555 18.511 19.000 0.110 0.000 0.814 205 A HN 0.410 nan 8.150 nan 0.000 0.444 206 R N -1.059 119.428 120.500 -0.022 0.000 2.092 206 R HA -0.053 4.283 4.340 -0.006 0.000 0.231 206 R C 2.046 178.323 176.300 -0.038 0.000 1.119 206 R CA 1.287 57.374 56.100 -0.022 0.000 0.970 206 R CB -0.723 29.570 30.300 -0.013 0.000 0.864 206 R HN 0.405 nan 8.270 nan 0.000 0.440 207 V N 1.489 121.372 119.914 -0.051 0.000 2.453 207 V HA -0.148 3.968 4.120 -0.006 0.000 0.247 207 V C 2.056 178.100 176.094 -0.084 0.000 1.048 207 V CA 1.401 63.667 62.300 -0.056 0.000 1.049 207 V CB -0.146 31.647 31.823 -0.050 0.000 0.672 207 V HN 0.226 nan 8.190 nan 0.000 0.457 208 I N 0.513 120.998 120.570 -0.141 0.000 2.179 208 I HA -0.203 3.963 4.170 -0.006 0.000 0.242 208 I C 2.737 178.799 176.117 -0.092 0.000 1.088 208 I CA 1.553 62.750 61.300 -0.171 0.000 1.357 208 I CB -0.758 37.060 38.000 -0.303 0.000 1.051 208 I HN 0.383 nan 8.210 nan 0.000 0.409 209 A N 0.730 123.511 122.820 -0.064 0.000 1.902 209 A HA -0.244 4.072 4.320 -0.006 0.000 0.217 209 A C 2.376 179.949 177.584 -0.020 0.000 1.181 209 A CA 1.714 53.734 52.037 -0.027 0.000 0.623 209 A CB -0.614 18.379 19.000 -0.013 0.000 0.818 209 A HN 0.278 nan 8.150 nan 0.000 0.443 210 R N -0.507 119.978 120.500 -0.025 0.000 2.120 210 R HA -0.115 4.221 4.340 -0.006 0.000 0.234 210 R C 1.489 177.780 176.300 -0.016 0.000 1.123 210 R CA 1.464 57.553 56.100 -0.018 0.000 0.975 210 R CB -0.183 30.105 30.300 -0.021 0.000 0.866 210 R HN 0.499 nan 8.270 nan 0.000 0.446 211 D N -0.054 120.333 120.400 -0.022 0.000 2.149 211 D HA -0.095 4.542 4.640 -0.006 0.000 0.201 211 D C 1.767 178.072 176.300 0.008 0.000 0.972 211 D CA 1.022 55.017 54.000 -0.007 0.000 0.835 211 D CB 0.048 40.841 40.800 -0.012 0.000 0.966 211 D HN 0.237 nan 8.370 nan 0.000 0.476 212 I N 0.960 121.533 120.570 0.005 0.000 2.179 212 I HA -0.222 3.945 4.170 -0.006 0.000 0.242 212 I C 2.484 178.609 176.117 0.014 0.000 1.088 212 I CA 1.009 62.321 61.300 0.020 0.000 1.357 212 I CB -0.161 37.851 38.000 0.021 0.000 1.051 212 I HN 0.012 nan 8.210 nan 0.000 0.409 213 E N 1.236 121.439 120.200 0.006 0.000 2.058 213 E HA -0.258 4.088 4.350 -0.006 0.000 0.194 213 E C 2.405 179.002 176.600 -0.005 0.000 0.997 213 E CA 1.339 57.741 56.400 0.003 0.000 0.801 213 E CB 0.043 29.743 29.700 0.000 0.000 0.746 213 E HN 0.359 nan 8.360 nan 0.000 0.450 214 R N 0.049 120.544 120.500 -0.007 0.000 2.081 214 R HA -0.112 4.224 4.340 -0.006 0.000 0.235 214 R C 2.535 178.823 176.300 -0.020 0.000 1.131 214 R CA 1.538 57.629 56.100 -0.015 0.000 0.960 214 R CB -0.280 30.012 30.300 -0.013 0.000 0.856 214 R HN 0.314 nan 8.270 nan 0.000 0.436 215 I N 0.354 120.919 120.570 -0.008 0.000 2.202 215 I HA -0.241 3.925 4.170 -0.006 0.000 0.242 215 I C 2.615 178.715 176.117 -0.028 0.000 1.091 215 I CA 1.141 62.434 61.300 -0.013 0.000 1.368 215 I CB -0.428 37.581 38.000 0.015 0.000 1.058 215 I HN 0.197 nan 8.210 nan 0.000 0.410 216 A N 1.014 123.827 122.820 -0.012 0.000 1.883 216 A HA -0.267 4.049 4.320 -0.006 0.000 0.217 216 A C 1.992 179.551 177.584 -0.042 0.000 1.186 216 A CA 2.318 54.347 52.037 -0.013 0.000 0.624 216 A CB -1.157 17.850 19.000 0.011 0.000 0.822 216 A HN 0.518 nan 8.150 nan 0.000 0.444 217 N N -0.576 118.100 118.700 -0.040 0.000 2.453 217 N HA -0.110 4.626 4.740 -0.006 0.000 0.183 217 N C 1.545 176.995 175.510 -0.101 0.000 1.041 217 N CA 1.330 54.346 53.050 -0.056 0.000 0.900 217 N CB -0.194 38.271 38.487 -0.037 0.000 0.961 217 N HN 0.727 nan 8.380 nan 0.000 0.443 218 T N -1.656 112.831 114.554 -0.112 0.000 3.072 218 T HA 0.037 4.384 4.350 -0.006 0.000 0.266 218 T C 1.606 176.160 174.700 -0.244 0.000 1.127 218 T CA 0.416 62.427 62.100 -0.148 0.000 1.107 218 T CB -0.006 68.791 68.868 -0.120 0.000 0.910 218 T HN 0.131 nan 8.240 nan 0.000 0.513 219 R N 0.967 121.290 120.500 -0.295 0.000 2.148 219 R HA 0.014 4.350 4.340 -0.006 0.000 0.227 219 R C 2.470 178.252 176.300 -0.863 0.000 1.103 219 R CA 1.159 56.934 56.100 -0.543 0.000 0.983 219 R CB -0.432 29.577 30.300 -0.484 0.000 0.874 219 R HN 0.407 nan 8.270 nan 0.000 0.451 220 N N 1.458 119.848 118.700 -0.517 0.000 2.018 220 N HA -0.187 4.549 4.740 -0.006 0.000 0.196 220 N C 1.207 176.567 175.510 -0.249 0.000 1.043 220 N CA 1.614 54.461 53.050 -0.338 0.000 0.856 220 N CB -0.302 38.129 38.487 -0.093 0.000 1.042 220 N HN 0.082 nan 8.380 nan 0.000 0.423 221 N N -0.013 118.561 118.700 -0.211 0.000 2.609 221 N HA -0.080 4.656 4.740 -0.006 0.000 0.190 221 N C 0.891 176.270 175.510 -0.217 0.000 1.157 221 N CA 0.178 53.133 53.050 -0.159 0.000 0.918 221 N CB -0.055 38.341 38.487 -0.152 0.000 0.978 221 N HN 0.289 nan 8.380 nan 0.000 0.448 222 L N -0.702 120.314 121.223 -0.345 0.000 2.477 222 L HA 0.138 4.474 4.340 -0.006 0.000 0.220 222 L C 1.370 178.171 176.870 -0.115 0.000 1.106 222 L CA 0.673 55.259 54.840 -0.424 0.000 0.851 222 L CB -0.367 41.383 42.059 -0.515 0.000 0.994 222 L HN 0.145 nan 8.230 nan 0.000 0.462 223 Y N -0.884 119.389 120.300 -0.046 0.000 2.439 223 Y HA -0.076 4.471 4.550 -0.006 0.000 0.292 223 Y C 0.460 176.388 175.900 0.047 0.000 1.130 223 Y CA -0.407 57.693 58.100 0.001 0.000 1.254 223 Y CB 0.143 38.599 38.460 -0.007 0.000 1.000 223 Y HN 0.088 nan 8.280 nan 0.000 0.554 224 D N 2.002 122.523 120.400 0.202 0.000 2.325 224 D HA 0.213 4.850 4.640 -0.006 0.000 0.251 224 D C -0.001 176.372 176.300 0.122 0.000 1.196 224 D CA 0.178 54.258 54.000 0.133 0.000 0.866 224 D CB 1.038 41.891 40.800 0.088 0.000 1.101 224 D HN 0.269 nan 8.370 nan 0.000 0.476 225 I N -0.480 120.116 120.570 0.044 0.000 2.822 225 I HA 0.420 4.587 4.170 -0.006 0.000 0.312 225 I C 0.650 176.738 176.117 -0.048 0.000 1.011 225 I CA -0.939 60.321 61.300 -0.067 0.000 1.105 225 I CB 1.583 39.556 38.000 -0.045 0.000 1.291 225 I HN 0.043 nan 8.210 nan 0.000 0.474 226 N N 3.061 121.718 118.700 -0.071 0.000 2.338 226 N HA 0.146 4.882 4.740 -0.006 0.000 0.251 226 N C -0.344 175.174 175.510 0.012 0.000 1.199 226 N CA -0.477 52.565 53.050 -0.013 0.000 0.879 226 N CB 0.413 38.901 38.487 0.003 0.000 1.159 226 N HN 0.719 nan 8.380 nan 0.000 0.514 227 M N 1.063 120.665 119.600 0.004 0.000 2.269 227 M HA 0.300 4.776 4.480 -0.006 0.000 0.350 227 M C 1.268 177.596 176.300 0.047 0.000 1.429 227 M CA 1.361 56.682 55.300 0.035 0.000 1.063 227 M CB -0.025 32.578 32.600 0.004 0.000 1.841 227 M HN 0.568 nan 8.290 nan 0.000 0.455 228 G N 2.697 111.576 108.800 0.131 0.000 2.253 228 G HA2 -0.091 3.865 3.960 -0.006 0.000 0.209 228 G HA3 -0.091 3.865 3.960 -0.006 0.000 0.209 228 G C 0.153 175.123 174.900 0.116 0.000 0.997 228 G CA -0.092 45.107 45.100 0.166 0.000 0.640 228 G HN 1.197 nan 8.290 nan 0.000 0.496 229 A N 1.154 124.024 122.820 0.084 0.000 2.440 229 A HA 0.672 4.988 4.320 -0.006 0.000 0.251 229 A C 1.394 179.022 177.584 0.074 0.000 1.089 229 A CA 1.359 53.435 52.037 0.064 0.000 0.779 229 A CB 0.248 19.284 19.000 0.059 0.000 1.022 229 A HN 1.314 nan 8.150 nan 0.000 0.492 230 T N 1.170 115.758 114.554 0.057 0.000 4.593 230 T HA 0.320 4.666 4.350 -0.006 0.000 0.208 230 T C 1.765 176.497 174.700 0.054 0.000 0.748 230 T CA 0.802 62.933 62.100 0.051 0.000 2.311 230 T CB -0.652 68.235 68.868 0.032 0.000 1.788 230 T HN 0.941 nan 8.240 nan 0.000 0.291 231 A N -0.005 122.840 122.820 0.043 0.000 1.850 231 A HA 0.281 4.598 4.320 -0.006 0.000 0.212 231 A C 2.485 180.102 177.584 0.055 0.000 1.208 231 A CA 0.993 53.058 52.037 0.047 0.000 0.609 231 A CB -0.950 18.069 19.000 0.032 0.000 0.860 231 A HN 0.439 nan 8.150 nan 0.000 0.448 232 V N -0.744 119.197 119.914 0.045 0.000 3.306 232 V HA 0.274 4.391 4.120 -0.006 0.000 0.264 232 V C 1.695 177.825 176.094 0.059 0.000 1.149 232 V CA 1.174 63.506 62.300 0.052 0.000 1.143 232 V CB -0.322 31.523 31.823 0.035 0.000 0.767 232 V HN 1.188 nan 8.190 nan 0.000 0.476 233 G N 0.563 109.393 108.800 0.050 0.000 2.148 233 G HA2 -0.246 3.710 3.960 -0.006 0.000 0.203 233 G HA3 -0.246 3.710 3.960 -0.006 0.000 0.203 233 G C 0.754 175.663 174.900 0.016 0.000 0.993 233 G CA 0.595 45.723 45.100 0.046 0.000 0.661 233 G HN 0.580 nan 8.290 nan 0.000 0.518 234 T N -1.699 112.862 114.554 0.011 0.000 3.107 234 T HA 0.425 4.771 4.350 -0.006 0.000 0.249 234 T C 2.246 176.942 174.700 -0.005 0.000 1.096 234 T CA 1.329 63.423 62.100 -0.010 0.000 1.012 234 T CB 0.359 69.225 68.868 -0.004 0.000 0.977 234 T HN 2.093 nan 8.240 nan 0.000 0.527 235 G N 1.430 110.238 108.800 0.013 0.000 2.203 235 G HA2 -0.244 3.712 3.960 -0.006 0.000 0.263 235 G HA3 -0.244 3.712 3.960 -0.006 0.000 0.263 235 G C -0.003 174.908 174.900 0.019 0.000 1.012 235 G CA 0.154 45.268 45.100 0.024 0.000 0.749 235 G HN 0.710 nan 8.290 nan 0.000 0.512 236 L N 0.533 121.762 121.223 0.011 0.000 2.660 236 L HA 0.241 4.577 4.340 -0.006 0.000 0.272 236 L C 1.190 178.062 176.870 0.004 0.000 1.194 236 L CA 1.304 56.147 54.840 0.005 0.000 0.945 236 L CB -0.383 41.677 42.059 0.002 0.000 1.212 236 L HN 0.433 nan 8.230 nan 0.000 0.490 237 N N 1.638 120.340 118.700 0.002 0.000 2.828 237 N HA -0.203 4.533 4.740 -0.006 0.000 0.248 237 N C -0.015 175.494 175.510 -0.001 0.000 1.044 237 N CA 1.119 54.167 53.050 -0.003 0.000 0.851 237 N CB -1.321 37.159 38.487 -0.012 0.000 1.136 237 N HN 0.759 nan 8.380 nan 0.000 0.572 238 A N 0.712 123.543 122.820 0.018 0.000 2.328 238 A HA 0.352 4.668 4.320 -0.006 0.000 0.284 238 A C 0.149 177.772 177.584 0.065 0.000 1.160 238 A CA -0.247 51.817 52.037 0.045 0.000 0.818 238 A CB 0.684 19.734 19.000 0.083 0.000 1.087 238 A HN 0.125 nan 8.150 nan 0.000 0.504 239 D N 3.210 123.662 120.400 0.087 0.000 2.336 239 D HA 0.277 4.914 4.640 -0.006 0.000 0.249 239 D C -1.678 174.708 176.300 0.144 0.000 1.213 239 D CA -1.872 52.189 54.000 0.102 0.000 0.870 239 D CB 1.164 42.022 40.800 0.098 0.000 1.076 239 D HN 0.140 nan 8.370 nan 0.000 0.483 240 P HA -0.145 nan 4.420 nan 0.000 0.218 240 P C 0.947 178.281 177.300 0.056 0.000 1.146 240 P CA 0.887 64.024 63.100 0.061 0.000 0.813 240 P CB 0.320 32.040 31.700 0.034 0.000 0.778 241 E N -1.951 118.293 120.200 0.075 0.000 2.216 241 E HA -0.177 4.169 4.350 -0.006 0.000 0.192 241 E C 1.796 178.449 176.600 0.090 0.000 0.988 241 E CA 0.358 56.795 56.400 0.062 0.000 0.834 241 E CB -0.299 29.439 29.700 0.063 0.000 0.772 241 E HN 0.218 nan 8.360 nan 0.000 0.479 242 Y N 1.350 121.665 120.300 0.025 0.000 2.133 242 Y HA -0.186 4.360 4.550 -0.006 0.000 0.287 242 Y C 1.841 177.765 175.900 0.041 0.000 1.134 242 Y CA 1.593 59.717 58.100 0.040 0.000 1.133 242 Y CB -0.404 38.079 38.460 0.037 0.000 0.987 242 Y HN -0.039 nan 8.280 nan 0.000 0.502 243 I N 0.199 120.664 120.570 -0.175 0.000 2.118 243 I HA -0.398 3.768 4.170 -0.006 0.000 0.241 243 I C 2.853 178.844 176.117 -0.210 0.000 1.070 243 I CA 2.048 63.196 61.300 -0.253 0.000 1.327 243 I CB -0.866 37.108 38.000 -0.043 0.000 1.034 243 I HN 0.439 nan 8.210 nan 0.000 0.405 244 S N 1.225 116.856 115.700 -0.114 0.000 2.368 244 S HA -0.168 4.298 4.470 -0.006 0.000 0.225 244 S C 2.027 176.547 174.600 -0.133 0.000 1.030 244 S CA 1.264 59.406 58.200 -0.097 0.000 0.999 244 S CB -0.623 62.542 63.200 -0.058 0.000 0.844 244 S HN 0.421 nan 8.310 nan 0.000 0.459 245 I N 0.852 121.340 120.570 -0.136 0.000 2.286 245 I HA -0.046 4.120 4.170 -0.006 0.000 0.245 245 I C 2.641 178.651 176.117 -0.178 0.000 1.104 245 I CA 1.065 62.271 61.300 -0.156 0.000 1.397 245 I CB -0.407 37.574 38.000 -0.033 0.000 1.072 245 I HN 0.327 nan 8.210 nan 0.000 0.417 246 V N 0.482 120.280 119.914 -0.194 0.000 2.427 246 V HA -0.245 3.871 4.120 -0.006 0.000 0.248 246 V C 2.419 178.476 176.094 -0.063 0.000 1.051 246 V CA 2.584 64.817 62.300 -0.110 0.000 1.048 246 V CB -0.355 31.188 31.823 -0.466 0.000 0.666 246 V HN 0.442 nan 8.190 nan 0.000 0.456 247 T N -0.089 114.386 114.554 -0.132 0.000 2.684 247 T HA -0.255 4.091 4.350 -0.006 0.000 0.267 247 T C 1.796 176.464 174.700 -0.054 0.000 1.036 247 T CA 2.120 64.177 62.100 -0.073 0.000 1.148 247 T CB -0.319 68.501 68.868 -0.080 0.000 0.863 247 T HN 0.693 nan 8.240 nan 0.000 0.436 248 E N -0.213 119.916 120.200 -0.119 0.000 2.110 248 E HA -0.204 4.142 4.350 -0.006 0.000 0.193 248 E C 2.139 178.661 176.600 -0.130 0.000 0.988 248 E CA 0.861 57.169 56.400 -0.153 0.000 0.804 248 E CB -0.007 29.553 29.700 -0.233 0.000 0.745 248 E HN 0.557 nan 8.360 nan 0.000 0.458 249 H N 0.433 119.502 119.070 -0.002 0.000 2.353 249 H HA -0.108 4.444 4.556 -0.006 0.000 0.300 249 H C 2.357 177.789 175.328 0.173 0.000 1.090 249 H CA 1.192 57.288 56.048 0.081 0.000 1.327 249 H CB -0.241 29.656 29.762 0.225 0.000 1.383 249 H HN 0.229 nan 8.280 nan 0.000 0.508 250 L N 0.063 121.443 121.223 0.261 0.000 2.012 250 L HA -0.189 4.148 4.340 -0.006 0.000 0.210 250 L C 2.940 179.905 176.870 0.158 0.000 1.073 250 L CA 1.116 56.087 54.840 0.219 0.000 0.748 250 L CB -0.630 41.512 42.059 0.139 0.000 0.891 250 L HN 0.206 nan 8.230 nan 0.000 0.431 251 A N -0.094 122.768 122.820 0.070 0.000 1.865 251 A HA -0.216 4.100 4.320 -0.006 0.000 0.217 251 A C 2.362 179.930 177.584 -0.027 0.000 1.191 251 A CA 1.724 53.772 52.037 0.019 0.000 0.623 251 A CB -0.367 18.611 19.000 -0.037 0.000 0.826 251 A HN 0.214 nan 8.150 nan 0.000 0.444 252 K N -0.831 119.508 120.400 -0.102 0.000 2.057 252 K HA -0.020 4.296 4.320 -0.006 0.000 0.206 252 K C 1.646 178.136 176.600 -0.183 0.000 1.050 252 K CA 1.277 57.437 56.287 -0.211 0.000 0.935 252 K CB -0.677 31.599 32.500 -0.374 0.000 0.715 252 K HN 0.631 nan 8.250 nan 0.000 0.439 253 F N 1.255 121.227 119.950 0.036 0.000 2.407 253 F HA -0.116 4.407 4.527 -0.006 0.000 0.299 253 F C 2.313 178.120 175.800 0.012 0.000 1.097 253 F CA 0.867 58.884 58.000 0.030 0.000 1.422 253 F CB 0.027 39.057 39.000 0.051 0.000 1.067 253 F HN 0.047 nan 8.300 nan 0.000 0.539 254 S N -0.953 114.849 115.700 0.171 0.000 2.524 254 S HA 0.296 4.762 4.470 -0.006 0.000 0.215 254 S C 1.696 176.199 174.600 -0.162 0.000 0.986 254 S CA 0.361 58.618 58.200 0.096 0.000 0.911 254 S CB 0.276 63.621 63.200 0.242 0.000 0.805 254 S HN 0.447 nan 8.310 nan 0.000 0.501 255 G N 1.531 110.249 108.800 -0.138 0.000 2.168 255 G HA2 -0.226 3.730 3.960 -0.006 0.000 0.257 255 G HA3 -0.226 3.730 3.960 -0.006 0.000 0.257 255 G C -0.115 174.584 174.900 -0.335 0.000 0.997 255 G CA 0.553 45.513 45.100 -0.233 0.000 0.708 255 G HN 0.678 nan 8.290 nan 0.000 0.520 256 H N -0.695 118.361 119.070 -0.024 0.000 2.529 256 H HA 0.391 4.943 4.556 -0.006 0.000 0.348 256 H C -2.289 172.917 175.328 -0.203 0.000 1.152 256 H CA -2.129 53.873 56.048 -0.077 0.000 1.202 256 H CB 1.934 31.716 29.762 0.033 0.000 1.562 256 H HN -0.044 nan 8.280 nan 0.000 0.515 257 P HA 0.090 nan 4.420 nan 0.000 0.237 257 P C 0.189 177.298 177.300 -0.318 0.000 1.723 257 P CA -0.106 62.773 63.100 -0.368 0.000 0.882 257 P CB -0.399 30.985 31.700 -0.527 0.000 1.810 258 L N 0.334 121.487 121.223 -0.118 0.000 2.536 258 L HA -0.021 4.315 4.340 -0.006 0.000 0.294 258 L C 1.213 178.074 176.870 -0.015 0.000 1.257 258 L CA 0.816 55.657 54.840 0.001 0.000 0.850 258 L CB -0.045 42.049 42.059 0.058 0.000 1.105 258 L HN 0.181 nan 8.230 nan 0.000 0.517 259 R N 0.694 121.214 120.500 0.032 0.000 2.774 259 R HA 0.403 4.739 4.340 -0.006 0.000 0.272 259 R C -1.198 175.116 176.300 0.023 0.000 1.000 259 R CA -0.826 55.285 56.100 0.018 0.000 0.906 259 R CB 1.997 32.318 30.300 0.036 0.000 1.227 259 R HN 0.503 nan 8.270 nan 0.000 0.468 260 S N 0.935 116.638 115.700 0.006 0.000 2.438 260 S HA 0.451 4.918 4.470 -0.006 0.000 0.293 260 S C -0.077 174.535 174.600 0.018 0.000 1.141 260 S CA -0.481 57.721 58.200 0.003 0.000 1.080 260 S CB 0.803 63.994 63.200 -0.015 0.000 0.978 260 S HN 0.648 nan 8.310 nan 0.000 0.479 261 A N 4.245 127.082 122.820 0.028 0.000 2.587 261 A HA 0.061 4.377 4.320 -0.006 0.000 0.233 261 A C 1.087 178.698 177.584 0.046 0.000 1.049 261 A CA 0.321 52.385 52.037 0.044 0.000 0.754 261 A CB 0.024 19.056 19.000 0.053 0.000 0.977 261 A HN 0.983 nan 8.150 nan 0.000 0.509 262 Q N -0.139 119.699 119.800 0.062 0.000 2.230 262 Q HA -0.048 4.288 4.340 -0.006 0.000 0.202 262 Q C 0.316 176.375 176.000 0.098 0.000 0.963 262 Q CA 1.061 56.903 55.803 0.065 0.000 0.866 262 Q CB 0.193 28.970 28.738 0.066 0.000 0.931 262 Q HN 0.777 nan 8.270 nan 0.000 0.452 263 H N -0.185 118.893 119.070 0.014 0.000 2.906 263 H HA 0.135 4.687 4.556 -0.006 0.000 0.324 263 H C -0.037 175.303 175.328 0.020 0.000 0.973 263 H CA -0.423 55.635 56.048 0.017 0.000 1.321 263 H CB 1.282 31.054 29.762 0.016 0.000 1.535 263 H HN 0.063 nan 8.280 nan 0.000 0.518 264 L N 4.643 125.857 121.223 -0.015 0.000 2.179 264 L HA -0.082 4.254 4.340 -0.006 0.000 0.208 264 L C 2.452 179.384 176.870 0.104 0.000 1.096 264 L CA 0.860 55.724 54.840 0.039 0.000 0.779 264 L CB -0.258 41.798 42.059 -0.005 0.000 0.922 264 L HN 0.432 nan 8.230 nan 0.000 0.443 265 V N -0.044 119.938 119.914 0.114 0.000 2.407 265 V HA -0.293 3.824 4.120 -0.006 0.000 0.248 265 V C 2.260 178.509 176.094 0.258 0.000 1.055 265 V CA 1.851 64.266 62.300 0.192 0.000 1.049 265 V CB -0.589 31.365 31.823 0.218 0.000 0.662 265 V HN 0.542 nan 8.190 nan 0.000 0.455 266 D N 1.215 121.867 120.400 0.420 0.000 2.084 266 D HA -0.147 4.489 4.640 -0.006 0.000 0.196 266 D C 1.979 178.343 176.300 0.107 0.000 0.985 266 D CA 1.671 55.756 54.000 0.140 0.000 0.826 266 D CB -0.289 40.485 40.800 -0.044 0.000 0.978 266 D HN 0.330 nan 8.370 nan 0.000 0.456 267 A N -0.902 121.992 122.820 0.124 0.000 2.225 267 A HA -0.026 4.291 4.320 -0.006 0.000 0.215 267 A C 2.126 179.758 177.584 0.081 0.000 1.164 267 A CA 1.752 53.836 52.037 0.078 0.000 0.710 267 A CB -0.584 18.455 19.000 0.065 0.000 0.780 267 A HN 0.385 nan 8.150 nan 0.000 0.473 268 T N -0.298 114.317 114.554 0.103 0.000 3.021 268 T HA -0.045 4.301 4.350 -0.006 0.000 0.245 268 T C 2.014 176.788 174.700 0.124 0.000 1.028 268 T CA 1.183 63.349 62.100 0.110 0.000 1.139 268 T CB -0.056 68.875 68.868 0.105 0.000 0.884 268 T HN 0.848 nan 8.240 nan 0.000 0.457 269 Q N 0.455 120.324 119.800 0.115 0.000 2.376 269 Q HA 0.193 4.529 4.340 -0.006 0.000 0.206 269 Q C 0.206 176.264 176.000 0.096 0.000 0.921 269 Q CA 0.187 56.057 55.803 0.111 0.000 0.911 269 Q CB 0.040 28.845 28.738 0.111 0.000 1.032 269 Q HN 0.199 nan 8.270 nan 0.000 0.510 270 N N 1.674 120.420 118.700 0.076 0.000 2.524 270 N HA 0.120 4.856 4.740 -0.006 0.000 0.283 270 N C 0.016 175.562 175.510 0.060 0.000 1.142 270 N CA 0.542 53.622 53.050 0.050 0.000 0.984 270 N CB 1.718 40.211 38.487 0.010 0.000 1.155 270 N HN 0.286 nan 8.380 nan 0.000 0.467 271 T N -4.008 110.584 114.554 0.063 0.000 3.111 271 T HA 0.002 4.348 4.350 -0.006 0.000 0.284 271 T C 0.783 175.474 174.700 -0.015 0.000 0.983 271 T CA -0.471 61.689 62.100 0.100 0.000 0.900 271 T CB 0.018 69.100 68.868 0.357 0.000 1.132 271 T HN 0.455 nan 8.240 nan 0.000 0.531 272 D N 2.076 122.448 120.400 -0.046 0.000 2.228 272 D HA -0.215 4.421 4.640 -0.006 0.000 0.203 272 D C 2.093 178.321 176.300 -0.121 0.000 0.988 272 D CA 1.505 55.471 54.000 -0.055 0.000 0.864 272 D CB -1.137 39.631 40.800 -0.052 0.000 0.928 272 D HN 0.685 nan 8.370 nan 0.000 0.469 273 C N -1.015 118.127 119.300 -0.265 0.000 2.432 273 C HA 0.010 4.466 4.460 -0.006 0.000 0.280 273 C C 2.714 177.534 174.990 -0.283 0.000 1.353 273 C CA -0.059 58.761 59.018 -0.331 0.000 1.766 273 C CB -1.953 25.503 27.740 -0.474 0.000 1.924 273 C HN 0.271 nan 8.230 nan 0.000 0.509 274 Y N 2.716 122.974 120.300 -0.071 0.000 2.220 274 Y HA -0.109 4.437 4.550 -0.007 0.000 0.291 274 Y C 3.151 179.029 175.900 -0.036 0.000 1.129 274 Y CA 1.551 59.617 58.100 -0.058 0.000 1.161 274 Y CB -0.659 37.833 38.460 0.055 0.000 0.997 274 Y HN 0.469 nan 8.280 nan 0.000 0.522 275 T N -1.654 112.979 114.554 0.132 0.000 2.867 275 T HA -0.215 4.131 4.350 -0.006 0.000 0.268 275 T C 1.584 176.293 174.700 0.015 0.000 1.057 275 T CA 1.308 63.448 62.100 0.068 0.000 1.136 275 T CB -0.411 68.488 68.868 0.051 0.000 0.874 275 T HN 0.463 nan 8.240 nan 0.000 0.466 276 E N 0.876 121.064 120.200 -0.020 0.000 2.085 276 E HA -0.151 4.195 4.350 -0.006 0.000 0.194 276 E C 2.111 178.686 176.600 -0.042 0.000 0.994 276 E CA 1.446 57.819 56.400 -0.045 0.000 0.801 276 E CB -0.256 29.396 29.700 -0.080 0.000 0.743 276 E HN 0.432 nan 8.360 nan 0.000 0.453 277 V N 0.403 120.290 119.914 -0.044 0.000 2.307 277 V HA -0.233 3.883 4.120 -0.006 0.000 0.245 277 V C 2.504 178.585 176.094 -0.021 0.000 1.045 277 V CA 1.808 64.081 62.300 -0.046 0.000 1.024 277 V CB -0.689 31.098 31.823 -0.060 0.000 0.651 277 V HN 0.331 nan 8.190 nan 0.000 0.449 278 S N -0.174 115.527 115.700 0.002 0.000 2.370 278 S HA -0.236 4.230 4.470 -0.006 0.000 0.226 278 S C 2.230 176.837 174.600 0.011 0.000 1.033 278 S CA 2.185 60.391 58.200 0.011 0.000 1.011 278 S CB -0.360 62.858 63.200 0.030 0.000 0.852 278 S HN 0.617 nan 8.310 nan 0.000 0.457 279 S N 1.086 116.788 115.700 0.003 0.000 2.383 279 S HA -0.012 4.454 4.470 -0.006 0.000 0.229 279 S C 2.140 176.737 174.600 -0.005 0.000 1.030 279 S CA 1.077 59.274 58.200 -0.005 0.000 1.002 279 S CB -0.586 62.605 63.200 -0.016 0.000 0.829 279 S HN 0.709 nan 8.310 nan 0.000 0.467 280 A N 1.452 124.267 122.820 -0.008 0.000 1.897 280 A HA 0.081 4.398 4.320 -0.006 0.000 0.215 280 A C 2.053 179.646 177.584 0.015 0.000 1.181 280 A CA 0.919 52.953 52.037 -0.005 0.000 0.620 280 A CB -0.631 18.359 19.000 -0.017 0.000 0.821 280 A HN 0.459 nan 8.150 nan 0.000 0.443 281 L N -0.495 120.737 121.223 0.015 0.000 2.131 281 L HA -0.172 4.164 4.340 -0.006 0.000 0.210 281 L C 2.608 179.520 176.870 0.069 0.000 1.092 281 L CA 1.659 56.516 54.840 0.027 0.000 0.759 281 L CB -0.541 41.515 42.059 -0.005 0.000 0.903 281 L HN 0.419 nan 8.230 nan 0.000 0.435 282 K N 0.728 121.175 120.400 0.078 0.000 2.001 282 K HA -0.136 4.180 4.320 -0.006 0.000 0.208 282 K C 2.092 178.767 176.600 0.125 0.000 1.048 282 K CA 1.419 57.792 56.287 0.144 0.000 0.932 282 K CB -0.095 32.443 32.500 0.063 0.000 0.715 282 K HN 0.080 nan 8.250 nan 0.000 0.437 283 V N 1.436 121.376 119.914 0.044 0.000 2.380 283 V HA -0.346 3.771 4.120 -0.006 0.000 0.251 283 V C 2.654 178.782 176.094 0.058 0.000 1.063 283 V CA 1.960 64.275 62.300 0.024 0.000 1.055 283 V CB -0.607 31.216 31.823 -0.001 0.000 0.657 283 V HN 0.580 nan 8.190 nan 0.000 0.455 284 C N -0.191 119.153 119.300 0.073 0.000 2.432 284 C HA -0.178 4.279 4.460 -0.006 0.000 0.277 284 C C 2.774 177.834 174.990 0.116 0.000 1.249 284 C CA 1.209 60.279 59.018 0.087 0.000 1.725 284 C CB -0.785 27.029 27.740 0.123 0.000 2.028 284 C HN 0.529 nan 8.230 nan 0.000 0.477 285 M N 0.396 120.093 119.600 0.160 0.000 2.319 285 M HA 0.037 4.513 4.480 -0.006 0.000 0.265 285 M C 1.890 178.333 176.300 0.238 0.000 1.068 285 M CA 1.220 56.608 55.300 0.148 0.000 1.118 285 M CB -1.217 31.429 32.600 0.077 0.000 1.395 285 M HN 0.429 nan 8.290 nan 0.000 0.435 286 I N 0.728 121.498 120.570 0.334 0.000 2.127 286 I HA -0.360 3.806 4.170 -0.006 0.000 0.241 286 I C 2.097 178.291 176.117 0.128 0.000 1.075 286 I CA 1.184 62.662 61.300 0.296 0.000 1.334 286 I CB -0.620 37.430 38.000 0.084 0.000 1.040 286 I HN 0.331 nan 8.210 nan 0.000 0.405 287 N N 0.757 119.486 118.700 0.048 0.000 2.043 287 N HA -0.177 4.559 4.740 -0.006 0.000 0.193 287 N C 1.812 177.265 175.510 -0.094 0.000 1.037 287 N CA 1.439 54.472 53.050 -0.028 0.000 0.851 287 N CB -0.387 38.068 38.487 -0.052 0.000 1.027 287 N HN 0.243 nan 8.380 nan 0.000 0.422 288 M N 0.791 120.336 119.600 -0.092 0.000 2.149 288 M HA -0.055 4.421 4.480 -0.006 0.000 0.261 288 M C 2.301 178.492 176.300 -0.181 0.000 1.064 288 M CA 0.911 56.107 55.300 -0.174 0.000 1.102 288 M CB -1.365 31.189 32.600 -0.077 0.000 1.369 288 M HN 0.112 nan 8.290 nan 0.000 0.408 289 S N 0.110 115.754 115.700 -0.094 0.000 2.368 289 S HA -0.138 4.329 4.470 -0.006 0.000 0.224 289 S C 2.075 176.635 174.600 -0.067 0.000 1.029 289 S CA 1.207 59.350 58.200 -0.095 0.000 0.988 289 S CB -0.070 63.142 63.200 0.021 0.000 0.838 289 S HN 0.320 nan 8.310 nan 0.000 0.462 290 K N 1.191 121.566 120.400 -0.042 0.000 2.057 290 K HA -0.013 4.303 4.320 -0.006 0.000 0.207 290 K C 2.046 178.561 176.600 -0.143 0.000 1.049 290 K CA 1.468 57.725 56.287 -0.049 0.000 0.931 290 K CB -0.636 31.849 32.500 -0.025 0.000 0.714 290 K HN 0.527 nan 8.250 nan 0.000 0.440 291 I N 1.064 121.469 120.570 -0.274 0.000 2.286 291 I HA -0.245 3.921 4.170 -0.006 0.000 0.248 291 I C 2.406 178.319 176.117 -0.340 0.000 1.115 291 I CA 1.180 62.160 61.300 -0.535 0.000 1.392 291 I CB -0.363 37.194 38.000 -0.737 0.000 1.065 291 I HN 0.125 nan 8.210 nan 0.000 0.418 292 A N 0.771 123.446 122.820 -0.242 0.000 2.067 292 A HA -0.150 4.166 4.320 -0.006 0.000 0.219 292 A C 1.987 179.525 177.584 -0.076 0.000 1.158 292 A CA 1.425 53.367 52.037 -0.158 0.000 0.661 292 A CB -0.470 18.411 19.000 -0.199 0.000 0.801 292 A HN 0.407 nan 8.150 nan 0.000 0.452 293 N N 0.530 119.189 118.700 -0.068 0.000 2.207 293 N HA -0.092 4.644 4.740 -0.006 0.000 0.182 293 N C 0.982 176.492 175.510 0.000 0.000 1.020 293 N CA 1.401 54.443 53.050 -0.012 0.000 0.858 293 N CB -0.443 38.050 38.487 0.010 0.000 0.991 293 N HN 0.376 nan 8.380 nan 0.000 0.427 294 D N 0.813 121.201 120.400 -0.021 0.000 2.123 294 D HA -0.092 4.544 4.640 -0.006 0.000 0.196 294 D C 1.974 178.302 176.300 0.046 0.000 0.992 294 D CA 0.498 54.513 54.000 0.025 0.000 0.833 294 D CB -0.298 40.535 40.800 0.055 0.000 0.954 294 D HN 0.045 nan 8.370 nan 0.000 0.455 295 L N 0.760 121.995 121.223 0.020 0.000 2.042 295 L HA -0.124 4.212 4.340 -0.006 0.000 0.210 295 L C 2.308 179.231 176.870 0.088 0.000 1.076 295 L CA 1.556 56.448 54.840 0.085 0.000 0.749 295 L CB -0.364 41.765 42.059 0.116 0.000 0.893 295 L HN 0.009 nan 8.230 nan 0.000 0.432 296 R N -1.245 119.292 120.500 0.062 0.000 2.115 296 R HA -0.051 4.286 4.340 -0.006 0.000 0.226 296 R C 2.219 178.554 176.300 0.060 0.000 1.100 296 R CA 0.826 56.962 56.100 0.060 0.000 0.980 296 R CB -0.333 29.995 30.300 0.046 0.000 0.875 296 R HN 0.345 nan 8.270 nan 0.000 0.445 297 L N 0.266 121.525 121.223 0.059 0.000 2.044 297 L HA -0.094 4.242 4.340 -0.006 0.000 0.205 297 L C 2.483 179.398 176.870 0.075 0.000 1.075 297 L CA 1.276 56.153 54.840 0.062 0.000 0.747 297 L CB -0.225 41.868 42.059 0.056 0.000 0.903 297 L HN 0.172 nan 8.230 nan 0.000 0.435 298 M N -0.850 118.803 119.600 0.088 0.000 2.296 298 M HA -0.126 4.351 4.480 -0.006 0.000 0.265 298 M C 2.090 178.442 176.300 0.085 0.000 1.064 298 M CA 1.512 56.872 55.300 0.100 0.000 1.109 298 M CB -0.336 32.340 32.600 0.127 0.000 1.396 298 M HN 0.263 nan 8.290 nan 0.000 0.430 299 A N 0.182 123.050 122.820 0.080 0.000 2.218 299 A HA 0.087 4.403 4.320 -0.006 0.000 0.209 299 A C 1.213 178.829 177.584 0.053 0.000 1.168 299 A CA 0.147 52.223 52.037 0.065 0.000 0.804 299 A CB -0.497 18.544 19.000 0.069 0.000 0.834 299 A HN 0.488 nan 8.150 nan 0.000 0.482 300 S N -1.073 114.661 115.700 0.058 0.000 2.569 300 S HA 0.503 4.969 4.470 -0.006 0.000 0.274 300 S C 0.785 175.413 174.600 0.047 0.000 1.353 300 S CA 0.326 58.557 58.200 0.052 0.000 1.023 300 S CB 0.805 64.040 63.200 0.057 0.000 0.876 300 S HN 1.986 nan 8.310 nan 0.000 0.540 301 G N 1.478 110.302 108.800 0.040 0.000 2.250 301 G HA2 -0.004 3.952 3.960 -0.006 0.000 0.189 301 G HA3 -0.004 3.952 3.960 -0.006 0.000 0.189 301 G C -2.106 172.808 174.900 0.024 0.000 1.298 301 G CA -0.167 44.952 45.100 0.033 0.000 1.246 301 G HN 0.710 nan 8.290 nan 0.000 0.513 302 P HA 0.110 nan 4.420 nan 0.000 0.224 302 P C 1.390 178.694 177.300 0.007 0.000 1.157 302 P CA 0.740 63.845 63.100 0.009 0.000 0.799 302 P CB 0.141 31.842 31.700 0.002 0.000 0.809 303 R N 0.350 120.857 120.500 0.012 0.000 2.105 303 R HA 0.223 4.560 4.340 -0.006 0.000 0.214 303 R C 1.878 178.194 176.300 0.026 0.000 1.091 303 R CA 1.229 57.337 56.100 0.014 0.000 1.007 303 R CB -1.139 29.168 30.300 0.011 0.000 0.912 303 R HN 0.133 nan 8.270 nan 0.000 0.450 304 A N 0.735 123.573 122.820 0.031 0.000 2.507 304 A HA 0.471 4.787 4.320 -0.006 0.000 0.270 304 A C 0.590 178.204 177.584 0.051 0.000 1.318 304 A CA 0.209 52.269 52.037 0.039 0.000 0.924 304 A CB 0.035 19.055 19.000 0.032 0.000 1.061 304 A HN 0.277 nan 8.150 nan 0.000 0.516 305 G N -1.823 107.012 108.800 0.058 0.000 3.105 305 G HA2 0.459 4.415 3.960 -0.006 0.000 0.277 305 G HA3 0.459 4.415 3.960 -0.006 0.000 0.277 305 G C 0.602 175.569 174.900 0.111 0.000 1.375 305 G CA -0.519 44.625 45.100 0.073 0.000 0.962 305 G HN -0.038 nan 8.290 nan 0.000 0.541 306 L N -0.206 121.093 121.223 0.127 0.000 2.093 306 L HA -0.010 4.326 4.340 -0.006 0.000 0.208 306 L C 1.727 178.695 176.870 0.163 0.000 1.085 306 L CA 1.482 56.445 54.840 0.206 0.000 0.755 306 L CB -0.765 41.392 42.059 0.162 0.000 0.904 306 L HN 0.609 nan 8.230 nan 0.000 0.435 307 S N -0.012 115.736 115.700 0.079 0.000 3.477 307 S HA -0.204 4.263 4.470 -0.006 0.000 0.371 307 S C 1.238 175.837 174.600 -0.002 0.000 0.965 307 S CA 0.613 58.825 58.200 0.021 0.000 1.239 307 S CB -0.721 62.467 63.200 -0.021 0.000 0.918 307 S HN 0.515 nan 8.310 nan 0.000 0.498 308 E N -0.329 119.896 120.200 0.042 0.000 2.140 308 E HA 0.142 4.488 4.350 -0.006 0.000 0.191 308 E C 1.126 177.709 176.600 -0.027 0.000 0.973 308 E CA 1.173 57.586 56.400 0.023 0.000 0.829 308 E CB 0.235 29.984 29.700 0.081 0.000 0.781 308 E HN 0.881 nan 8.360 nan 0.000 0.466 309 I N -3.235 117.339 120.570 0.007 0.000 3.239 309 I HA 0.540 4.706 4.170 -0.006 0.000 0.314 309 I C -0.881 175.247 176.117 0.018 0.000 1.126 309 I CA -1.209 60.088 61.300 -0.004 0.000 0.973 309 I CB 2.320 40.361 38.000 0.069 0.000 1.252 309 I HN -0.393 nan 8.210 nan 0.000 0.463 310 V N 3.717 123.644 119.914 0.021 0.000 2.524 310 V HA 0.422 4.538 4.120 -0.006 0.000 0.297 310 V C -0.191 175.924 176.094 0.035 0.000 1.035 310 V CA -0.386 61.928 62.300 0.024 0.000 0.867 310 V CB 1.564 33.391 31.823 0.006 0.000 1.004 310 V HN 0.517 nan 8.190 nan 0.000 0.426 311 L N 7.097 128.341 121.223 0.036 0.000 2.334 311 L HA 0.526 4.863 4.340 -0.006 0.000 0.277 311 L C -1.791 175.080 176.870 0.002 0.000 1.075 311 L CA -1.688 53.165 54.840 0.022 0.000 0.804 311 L CB 1.325 43.404 42.059 0.034 0.000 1.174 311 L HN 0.412 nan 8.230 nan 0.000 0.438 312 P HA 0.058 nan 4.420 nan 0.000 0.268 312 P C -0.753 176.538 177.300 -0.014 0.000 1.208 312 P CA -0.391 62.696 63.100 -0.022 0.000 0.777 312 P CB 0.719 32.394 31.700 -0.040 0.000 0.875 313 A N 3.110 125.925 122.820 -0.008 0.000 2.401 313 A HA 0.306 4.622 4.320 -0.006 0.000 0.259 313 A C 1.023 178.604 177.584 -0.004 0.000 1.103 313 A CA -0.307 51.728 52.037 -0.002 0.000 0.789 313 A CB 0.131 19.131 19.000 -0.000 0.000 1.035 313 A HN 0.448 nan 8.150 nan 0.000 0.491 314 R N 0.127 120.628 120.500 0.001 0.000 2.517 314 R HA 0.219 4.555 4.340 -0.006 0.000 0.265 314 R C -0.250 176.054 176.300 0.006 0.000 0.921 314 R CA 0.348 56.450 56.100 0.002 0.000 1.054 314 R CB 0.438 30.740 30.300 0.004 0.000 1.340 314 R HN 0.852 nan 8.270 nan 0.000 0.551 315 Q N 1.215 121.020 119.800 0.008 0.000 2.289 315 Q HA 0.353 4.689 4.340 -0.006 0.000 0.270 315 Q C -2.446 173.559 176.000 0.009 0.000 1.038 315 Q CA -1.796 54.012 55.803 0.010 0.000 0.812 315 Q CB 2.845 31.590 28.738 0.013 0.000 1.300 315 Q HN -0.084 nan 8.270 nan 0.000 0.427 316 P HA -0.033 nan 4.420 nan 0.000 0.263 316 P C -0.454 176.852 177.300 0.009 0.000 1.168 316 P CA 0.148 63.253 63.100 0.007 0.000 0.759 316 P CB 0.458 32.162 31.700 0.007 0.000 0.782 317 G N 1.511 110.316 108.800 0.008 0.000 2.400 317 G HA2 0.374 4.330 3.960 -0.006 0.000 0.333 317 G HA3 0.374 4.330 3.960 -0.006 0.000 0.333 317 G C -0.392 174.513 174.900 0.008 0.000 1.143 317 G CA -0.575 44.530 45.100 0.009 0.000 0.914 317 G HN 0.515 nan 8.290 nan 0.000 0.480 318 S N 0.617 116.322 115.700 0.009 0.000 2.593 318 S HA -0.025 4.441 4.470 -0.006 0.000 0.300 318 S C 1.745 176.350 174.600 0.007 0.000 1.267 318 S CA 0.235 58.441 58.200 0.009 0.000 1.065 318 S CB 1.401 64.607 63.200 0.010 0.000 0.807 318 S HN 0.769 nan 8.310 nan 0.000 0.499 319 S N 2.295 117.999 115.700 0.007 0.000 2.356 319 S HA -0.123 4.343 4.470 -0.006 0.000 0.223 319 S C 1.703 176.307 174.600 0.006 0.000 1.032 319 S CA 0.945 59.149 58.200 0.006 0.000 1.005 319 S CB -0.290 62.913 63.200 0.005 0.000 0.867 319 S HN 0.661 nan 8.310 nan 0.000 0.449 320 I N 1.099 121.672 120.570 0.006 0.000 2.756 320 I HA 0.165 4.331 4.170 -0.006 0.000 0.262 320 I C 0.503 176.624 176.117 0.006 0.000 1.225 320 I CA 0.970 62.274 61.300 0.006 0.000 1.472 320 I CB -0.209 37.795 38.000 0.006 0.000 1.094 320 I HN 0.336 nan 8.210 nan 0.000 0.454 321 M N 3.400 123.004 119.600 0.007 0.000 2.480 321 M HA 0.324 4.800 4.480 -0.006 0.000 0.320 321 M C -2.432 173.872 176.300 0.007 0.000 1.141 321 M CA -1.587 53.718 55.300 0.008 0.000 1.102 321 M CB 0.816 33.422 32.600 0.010 0.000 1.249 321 M HN -0.092 nan 8.290 nan 0.000 0.446 322 P HA 0.315 nan 4.420 nan 0.000 0.287 322 P C 0.628 177.931 177.300 0.005 0.000 1.281 322 P CA 0.610 63.712 63.100 0.004 0.000 0.781 322 P CB 1.478 33.180 31.700 0.003 0.000 0.903 323 G N 3.304 112.107 108.800 0.005 0.000 2.391 323 G HA2 -0.196 3.760 3.960 -0.006 0.000 0.204 323 G HA3 -0.196 3.760 3.960 -0.006 0.000 0.204 323 G C 0.229 175.134 174.900 0.009 0.000 1.012 323 G CA -0.370 44.733 45.100 0.005 0.000 0.651 323 G HN 0.646 nan 8.290 nan 0.000 0.494 324 K N 1.391 121.798 120.400 0.011 0.000 2.336 324 K HA 0.473 4.789 4.320 -0.006 0.000 0.290 324 K C -0.042 176.567 176.600 0.014 0.000 1.067 324 K CA 0.312 56.607 56.287 0.014 0.000 0.962 324 K CB 0.314 32.823 32.500 0.014 0.000 1.008 324 K HN 0.699 nan 8.250 nan 0.000 0.467 325 V N 2.120 122.044 119.914 0.017 0.000 2.445 325 V HA 0.298 4.415 4.120 -0.006 0.000 0.283 325 V C -0.750 175.358 176.094 0.023 0.000 1.014 325 V CA -1.386 60.925 62.300 0.017 0.000 0.852 325 V CB 0.979 32.810 31.823 0.014 0.000 1.021 325 V HN 0.590 nan 8.190 nan 0.000 0.435 326 N N 6.392 125.106 118.700 0.024 0.000 2.492 326 N HA 0.253 4.989 4.740 -0.006 0.000 0.262 326 N C -1.988 173.542 175.510 0.034 0.000 1.202 326 N CA -1.452 51.615 53.050 0.029 0.000 0.926 326 N CB 1.052 39.556 38.487 0.027 0.000 1.078 326 N HN 0.537 nan 8.380 nan 0.000 0.454 327 P HA -0.013 nan 4.420 nan 0.000 0.249 327 P C 1.229 178.566 177.300 0.061 0.000 1.686 327 P CA -0.091 63.044 63.100 0.057 0.000 0.873 327 P CB -0.344 31.396 31.700 0.067 0.000 1.828 328 V N -3.110 116.832 119.914 0.047 0.000 2.363 328 V HA -0.320 3.796 4.120 -0.006 0.000 0.254 328 V C 2.111 178.243 176.094 0.064 0.000 1.074 328 V CA 1.739 64.065 62.300 0.044 0.000 1.069 328 V CB -1.523 30.320 31.823 0.033 0.000 0.659 328 V HN 0.083 nan 8.190 nan 0.000 0.455 329 M N 0.462 120.118 119.600 0.093 0.000 2.077 329 M HA 0.055 4.532 4.480 -0.006 0.000 0.261 329 M C 0.406 176.857 176.300 0.252 0.000 1.070 329 M CA 1.571 56.972 55.300 0.169 0.000 1.125 329 M CB -2.644 30.042 32.600 0.145 0.000 1.339 329 M HN 0.326 nan 8.290 nan 0.000 0.409 330 P HA -0.129 nan 4.420 nan 0.000 0.219 330 P C 1.106 178.414 177.300 0.013 0.000 1.146 330 P CA 1.140 64.347 63.100 0.178 0.000 0.808 330 P CB -0.128 31.680 31.700 0.180 0.000 0.779 331 E N -0.737 119.475 120.200 0.020 0.000 2.072 331 E HA -0.103 4.244 4.350 -0.006 0.000 0.190 331 E C 1.927 178.474 176.600 -0.088 0.000 0.982 331 E CA 0.823 57.203 56.400 -0.034 0.000 0.803 331 E CB -0.787 28.913 29.700 -0.001 0.000 0.755 331 E HN 0.054 nan 8.360 nan 0.000 0.453 332 V N 1.132 121.020 119.914 -0.045 0.000 2.913 332 V HA -0.184 3.932 4.120 -0.006 0.000 0.260 332 V C 2.034 178.048 176.094 -0.133 0.000 1.098 332 V CA 1.202 63.460 62.300 -0.071 0.000 1.121 332 V CB -0.070 31.746 31.823 -0.011 0.000 0.714 332 V HN 0.230 nan 8.190 nan 0.000 0.487 333 M N 0.622 120.138 119.600 -0.140 0.000 2.236 333 M HA -0.053 4.423 4.480 -0.006 0.000 0.266 333 M C 1.635 177.728 176.300 -0.345 0.000 1.070 333 M CA 2.063 57.230 55.300 -0.221 0.000 1.137 333 M CB -0.788 31.627 32.600 -0.310 0.000 1.378 333 M HN 0.443 nan 8.290 nan 0.000 0.426 334 N N -0.708 117.753 118.700 -0.397 0.000 2.188 334 N HA -0.154 4.583 4.740 -0.006 0.000 0.184 334 N C 1.625 176.397 175.510 -1.230 0.000 1.018 334 N CA 1.431 54.070 53.050 -0.685 0.000 0.858 334 N CB -0.074 38.121 38.487 -0.487 0.000 0.989 334 N HN 0.542 nan 8.380 nan 0.000 0.426 335 Q N 0.187 119.532 119.800 -0.758 0.000 2.119 335 Q HA -0.047 4.289 4.340 -0.006 0.000 0.201 335 Q C 2.022 177.752 176.000 -0.450 0.000 0.972 335 Q CA 0.915 56.363 55.803 -0.591 0.000 0.847 335 Q CB 0.077 28.674 28.738 -0.235 0.000 0.903 335 Q HN 0.239 nan 8.270 nan 0.000 0.433 336 V N 1.090 120.770 119.914 -0.390 0.000 2.515 336 V HA -0.229 3.888 4.120 -0.006 0.000 0.250 336 V C 2.270 178.125 176.094 -0.399 0.000 1.058 336 V CA 1.622 63.738 62.300 -0.307 0.000 1.064 336 V CB -0.794 30.875 31.823 -0.257 0.000 0.675 336 V HN 0.362 nan 8.190 nan 0.000 0.461 337 A N -0.192 122.283 122.820 -0.574 0.000 1.902 337 A HA -0.190 4.126 4.320 -0.006 0.000 0.217 337 A C 2.129 179.010 177.584 -1.172 0.000 1.181 337 A CA 1.825 53.396 52.037 -0.776 0.000 0.623 337 A CB -0.729 17.841 19.000 -0.717 0.000 0.818 337 A HN 0.542 nan 8.150 nan 0.000 0.443 338 F N -0.637 118.825 119.950 -0.814 0.000 2.134 338 F HA -0.217 4.307 4.527 -0.005 0.000 0.299 338 F C 2.960 178.585 175.800 -0.291 0.000 1.097 338 F CA 0.791 58.452 58.000 -0.564 0.000 1.264 338 F CB -0.242 38.621 39.000 -0.228 0.000 1.001 338 F HN 0.217 nan 8.300 nan 0.000 0.479 339 Q N 0.599 120.359 119.800 -0.067 0.000 2.061 339 Q HA -0.158 4.178 4.340 -0.006 0.000 0.204 339 Q C 2.546 178.535 176.000 -0.019 0.000 0.984 339 Q CA 1.465 57.250 55.803 -0.030 0.000 0.846 339 Q CB -0.754 27.939 28.738 -0.076 0.000 0.902 339 Q HN 0.304 nan 8.270 nan 0.000 0.421 340 V N 0.919 120.783 119.914 -0.084 0.000 2.407 340 V HA -0.241 3.875 4.120 -0.006 0.000 0.248 340 V C 2.189 178.410 176.094 0.211 0.000 1.055 340 V CA 1.481 63.789 62.300 0.013 0.000 1.049 340 V CB -0.768 31.045 31.823 -0.017 0.000 0.662 340 V HN 0.158 nan 8.190 nan 0.000 0.455 341 F N 1.617 121.594 119.950 0.045 0.000 2.075 341 F HA -0.063 4.462 4.527 -0.004 0.000 0.297 341 F C 2.522 178.340 175.800 0.030 0.000 1.113 341 F CA 1.278 59.305 58.000 0.045 0.000 1.218 341 F CB -1.796 37.250 39.000 0.077 0.000 0.984 341 F HN 0.230 nan 8.300 nan 0.000 0.472 342 G N 0.233 109.178 108.800 0.241 0.000 2.440 342 G HA2 -0.266 3.690 3.960 -0.006 0.000 0.218 342 G HA3 -0.266 3.690 3.960 -0.006 0.000 0.218 342 G C 1.616 176.576 174.900 0.099 0.000 1.154 342 G CA 0.877 46.060 45.100 0.138 0.000 0.767 342 G HN 0.275 nan 8.290 nan 0.000 0.552 343 N N 0.846 119.593 118.700 0.080 0.000 2.223 343 N HA -0.100 4.636 4.740 -0.006 0.000 0.185 343 N C 1.760 177.303 175.510 0.054 0.000 1.016 343 N CA 1.444 54.522 53.050 0.046 0.000 0.863 343 N CB -0.392 38.090 38.487 -0.008 0.000 0.983 343 N HN 0.492 nan 8.380 nan 0.000 0.429 344 D N 0.339 120.784 120.400 0.075 0.000 2.264 344 D HA -0.020 4.616 4.640 -0.006 0.000 0.208 344 D C 1.914 178.242 176.300 0.047 0.000 0.966 344 D CA 0.236 54.272 54.000 0.060 0.000 0.864 344 D CB 0.174 41.014 40.800 0.066 0.000 0.933 344 D HN 0.132 nan 8.370 nan 0.000 0.499 345 L N -0.360 120.895 121.223 0.053 0.000 2.127 345 L HA -0.060 4.277 4.340 -0.006 0.000 0.203 345 L C 1.911 178.804 176.870 0.039 0.000 1.080 345 L CA 1.154 56.016 54.840 0.037 0.000 0.768 345 L CB -0.488 41.595 42.059 0.039 0.000 0.924 345 L HN 0.106 nan 8.230 nan 0.000 0.444 346 T N 0.544 115.128 114.554 0.050 0.000 2.746 346 T HA -0.173 4.173 4.350 -0.006 0.000 0.267 346 T C 1.908 176.636 174.700 0.047 0.000 1.039 346 T CA 1.554 63.686 62.100 0.053 0.000 1.142 346 T CB -0.174 68.738 68.868 0.074 0.000 0.866 346 T HN 0.255 nan 8.240 nan 0.000 0.444 347 I N 0.957 121.557 120.570 0.050 0.000 2.315 347 I HA -0.160 4.006 4.170 -0.006 0.000 0.248 347 I C 2.691 178.838 176.117 0.050 0.000 1.117 347 I CA 1.054 62.386 61.300 0.053 0.000 1.404 347 I CB -0.557 37.478 38.000 0.059 0.000 1.071 347 I HN 0.246 nan 8.210 nan 0.000 0.419 348 T N 0.098 114.676 114.554 0.039 0.000 2.708 348 T HA -0.147 4.199 4.350 -0.006 0.000 0.266 348 T C 2.117 176.831 174.700 0.024 0.000 1.037 348 T CA 1.815 63.933 62.100 0.030 0.000 1.146 348 T CB -0.120 68.758 68.868 0.017 0.000 0.865 348 T HN 0.288 nan 8.240 nan 0.000 0.435 349 S N 1.357 117.069 115.700 0.021 0.000 2.368 349 S HA -0.040 4.426 4.470 -0.006 0.000 0.225 349 S C 2.539 177.146 174.600 0.011 0.000 1.030 349 S CA 0.981 59.189 58.200 0.014 0.000 0.999 349 S CB -0.500 62.708 63.200 0.014 0.000 0.844 349 S HN 0.587 nan 8.310 nan 0.000 0.459 350 A N 0.922 123.750 122.820 0.014 0.000 1.898 350 A HA -0.055 4.261 4.320 -0.006 0.000 0.216 350 A C 2.276 179.869 177.584 0.016 0.000 1.181 350 A CA 1.802 53.840 52.037 0.002 0.000 0.620 350 A CB -1.025 17.966 19.000 -0.015 0.000 0.819 350 A HN 0.456 nan 8.150 nan 0.000 0.442 351 S N 0.294 116.019 115.700 0.042 0.000 2.359 351 S HA -0.223 4.243 4.470 -0.006 0.000 0.224 351 S C 1.943 176.566 174.600 0.038 0.000 1.035 351 S CA 1.941 60.181 58.200 0.066 0.000 1.018 351 S CB -0.349 62.902 63.200 0.085 0.000 0.876 351 S HN 0.795 nan 8.310 nan 0.000 0.448 352 E N 0.702 120.913 120.200 0.019 0.000 2.435 352 E HA 0.277 4.623 4.350 -0.006 0.000 0.195 352 E C 1.396 177.990 176.600 -0.010 0.000 1.029 352 E CA 0.887 57.287 56.400 0.001 0.000 0.865 352 E CB -0.451 29.246 29.700 -0.005 0.000 0.833 352 E HN 0.433 nan 8.360 nan 0.000 0.510 353 A N 1.049 123.866 122.820 -0.005 0.000 2.252 353 A HA 0.299 4.616 4.320 -0.006 0.000 0.207 353 A C 1.302 178.878 177.584 -0.014 0.000 1.194 353 A CA 0.286 52.315 52.037 -0.013 0.000 0.809 353 A CB -0.758 18.235 19.000 -0.011 0.000 0.814 353 A HN 0.311 nan 8.150 nan 0.000 0.482 354 G N -0.525 108.271 108.800 -0.007 0.000 2.442 354 G HA2 0.447 4.403 3.960 -0.006 0.000 0.249 354 G HA3 0.447 4.403 3.960 -0.006 0.000 0.249 354 G C -0.343 174.538 174.900 -0.033 0.000 1.263 354 G CA -0.219 44.883 45.100 0.002 0.000 0.846 354 G HN 0.488 nan 8.290 nan 0.000 0.555 355 Q N 0.727 120.520 119.800 -0.013 0.000 2.304 355 Q HA 0.476 4.813 4.340 -0.006 0.000 0.270 355 Q C -0.420 175.613 176.000 0.055 0.000 1.035 355 Q CA -0.692 55.068 55.803 -0.071 0.000 0.781 355 Q CB 1.992 30.714 28.738 -0.028 0.000 1.261 355 Q HN 0.486 nan 8.270 nan 0.000 0.444 356 F N 0.665 120.631 119.950 0.026 0.000 2.169 356 F HA -0.424 4.099 4.527 -0.005 0.000 0.314 356 F C 1.699 177.522 175.800 0.039 0.000 0.318 356 F CA 1.793 59.811 58.000 0.030 0.000 0.904 356 F CB -0.687 38.328 39.000 0.026 0.000 4.078 356 F HN 0.648 nan 8.300 nan 0.000 0.173 357 E N 1.005 121.386 120.200 0.301 0.000 2.526 357 E HA 0.241 4.587 4.350 -0.006 0.000 0.198 357 E C 0.129 176.814 176.600 0.143 0.000 1.091 357 E CA 0.727 57.232 56.400 0.176 0.000 0.880 357 E CB -0.173 29.603 29.700 0.127 0.000 0.873 357 E HN 0.421 nan 8.360 nan 0.000 0.527 358 L N 0.865 122.175 121.223 0.145 0.000 2.549 358 L HA 0.388 4.724 4.340 -0.006 0.000 0.259 358 L C -1.775 175.156 176.870 0.100 0.000 0.934 358 L CA -0.536 54.377 54.840 0.120 0.000 0.865 358 L CB 2.325 44.450 42.059 0.108 0.000 1.352 358 L HN -0.213 nan 8.230 nan 0.000 0.410 359 N N 3.317 122.074 118.700 0.094 0.000 2.501 359 N HA 0.210 4.947 4.740 -0.006 0.000 0.245 359 N C 0.684 176.218 175.510 0.040 0.000 0.974 359 N CA 0.039 53.127 53.050 0.063 0.000 0.941 359 N CB 1.693 40.226 38.487 0.077 0.000 1.122 359 N HN 0.660 nan 8.380 nan 0.000 0.507 360 V N 2.091 122.017 119.914 0.019 0.000 3.380 360 V HA 0.050 4.167 4.120 -0.006 0.000 0.268 360 V C 1.449 177.507 176.094 -0.060 0.000 1.168 360 V CA 0.728 63.022 62.300 -0.010 0.000 1.156 360 V CB -0.427 31.392 31.823 -0.008 0.000 0.785 360 V HN 0.470 nan 8.190 nan 0.000 0.487 361 M N 0.288 119.850 119.600 -0.063 0.000 2.628 361 M HA 0.197 4.674 4.480 -0.006 0.000 0.232 361 M C 1.718 177.911 176.300 -0.179 0.000 1.128 361 M CA 0.277 55.519 55.300 -0.095 0.000 1.040 361 M CB -0.944 31.622 32.600 -0.056 0.000 1.608 361 M HN 0.552 nan 8.290 nan 0.000 0.507 362 E N 1.162 121.205 120.200 -0.261 0.000 2.118 362 E HA -0.181 4.165 4.350 -0.006 0.000 0.195 362 E C -0.719 175.364 176.600 -0.862 0.000 0.992 362 E CA 1.211 57.194 56.400 -0.694 0.000 0.804 362 E CB -1.098 28.156 29.700 -0.744 0.000 0.741 362 E HN 0.418 nan 8.360 nan 0.000 0.458 363 P HA -0.177 nan 4.420 nan 0.000 0.214 363 P C 1.870 179.135 177.300 -0.058 0.000 1.163 363 P CA 1.100 64.127 63.100 -0.122 0.000 0.883 363 P CB -0.124 31.518 31.700 -0.096 0.000 0.788 364 V N -0.091 119.782 119.914 -0.068 0.000 2.626 364 V HA -0.170 3.946 4.120 -0.006 0.000 0.252 364 V C 2.569 178.723 176.094 0.100 0.000 1.067 364 V CA 1.151 63.483 62.300 0.054 0.000 1.081 364 V CB -1.179 30.653 31.823 0.015 0.000 0.686 364 V HN -0.044 nan 8.190 nan 0.000 0.468 365 L N -1.100 120.095 121.223 -0.047 0.000 2.027 365 L HA -0.100 4.237 4.340 -0.006 0.000 0.206 365 L C 2.382 179.333 176.870 0.134 0.000 1.074 365 L CA 2.001 56.834 54.840 -0.011 0.000 0.745 365 L CB -0.407 41.579 42.059 -0.122 0.000 0.898 365 L HN 0.307 nan 8.230 nan 0.000 0.433 366 F N -0.600 119.305 119.950 -0.076 0.000 2.186 366 F HA -0.190 4.333 4.527 -0.007 0.000 0.299 366 F C 2.339 178.149 175.800 0.016 0.000 1.090 366 F CA 0.582 58.511 58.000 -0.119 0.000 1.307 366 F CB -1.516 37.390 39.000 -0.157 0.000 1.019 366 F HN 0.160 nan 8.300 nan 0.000 0.489 367 F N 1.744 121.796 119.950 0.170 0.000 2.126 367 F HA -0.253 4.270 4.527 -0.007 0.000 0.299 367 F C 1.866 177.722 175.800 0.092 0.000 1.096 367 F CA 1.814 59.892 58.000 0.131 0.000 1.255 367 F CB -0.867 38.206 39.000 0.122 0.000 0.997 367 F HN -0.083 nan 8.300 nan 0.000 0.479 368 N N 0.372 119.021 118.700 -0.086 0.000 2.207 368 N HA -0.087 4.649 4.740 -0.006 0.000 0.182 368 N C 2.082 177.502 175.510 -0.150 0.000 1.020 368 N CA 1.158 54.085 53.050 -0.204 0.000 0.858 368 N CB -0.473 37.998 38.487 -0.026 0.000 0.991 368 N HN 0.341 nan 8.380 nan 0.000 0.427 369 L N 0.721 121.909 121.223 -0.058 0.000 1.989 369 L HA -0.132 4.204 4.340 -0.006 0.000 0.211 369 L C 1.768 178.565 176.870 -0.123 0.000 1.071 369 L CA 1.411 56.211 54.840 -0.067 0.000 0.749 369 L CB -0.257 41.773 42.059 -0.047 0.000 0.890 369 L HN 0.227 nan 8.230 nan 0.000 0.431 370 I N -0.652 119.839 120.570 -0.132 0.000 2.394 370 I HA -0.330 3.836 4.170 -0.006 0.000 0.251 370 I C 2.577 178.581 176.117 -0.189 0.000 1.136 370 I CA 1.169 62.367 61.300 -0.170 0.000 1.425 370 I CB -0.290 37.630 38.000 -0.132 0.000 1.079 370 I HN 0.483 nan 8.210 nan 0.000 0.425 371 Q N 0.981 120.629 119.800 -0.253 0.000 1.990 371 Q HA -0.188 4.148 4.340 -0.006 0.000 0.200 371 Q C 2.324 178.201 176.000 -0.206 0.000 0.980 371 Q CA 2.315 57.950 55.803 -0.280 0.000 0.832 371 Q CB 0.017 28.461 28.738 -0.490 0.000 0.897 371 Q HN 0.358 nan 8.270 nan 0.000 0.427 372 S N 1.086 116.673 115.700 -0.189 0.000 2.369 372 S HA -0.222 4.244 4.470 -0.006 0.000 0.225 372 S C 1.928 176.428 174.600 -0.167 0.000 1.043 372 S CA 1.756 59.864 58.200 -0.154 0.000 1.074 372 S CB -0.530 62.605 63.200 -0.107 0.000 0.962 372 S HN 0.425 nan 8.310 nan 0.000 0.433 373 I N 1.006 121.484 120.570 -0.154 0.000 2.194 373 I HA -0.227 3.939 4.170 -0.006 0.000 0.246 373 I C 2.701 178.722 176.117 -0.160 0.000 1.093 373 I CA 1.346 62.555 61.300 -0.152 0.000 1.355 373 I CB -0.588 37.327 38.000 -0.143 0.000 1.046 373 I HN 0.319 nan 8.210 nan 0.000 0.413 374 S N 1.698 117.310 115.700 -0.147 0.000 2.349 374 S HA -0.183 4.284 4.470 -0.006 0.000 0.216 374 S C 2.168 176.694 174.600 -0.123 0.000 1.033 374 S CA 1.766 59.906 58.200 -0.100 0.000 1.021 374 S CB -0.494 62.684 63.200 -0.038 0.000 0.968 374 S HN 0.499 nan 8.310 nan 0.000 0.426 375 I N -0.591 119.893 120.570 -0.144 0.000 2.315 375 I HA -0.206 3.960 4.170 -0.006 0.000 0.251 375 I C 2.477 178.445 176.117 -0.248 0.000 1.125 375 I CA 1.813 63.016 61.300 -0.161 0.000 1.392 375 I CB -0.523 37.382 38.000 -0.159 0.000 1.065 375 I HN 0.329 nan 8.210 nan 0.000 0.424 376 M N 1.001 120.394 119.600 -0.345 0.000 2.099 376 M HA -0.129 4.347 4.480 -0.006 0.000 0.262 376 M C 2.366 178.213 176.300 -0.755 0.000 1.067 376 M CA 2.258 57.154 55.300 -0.674 0.000 1.124 376 M CB -0.455 31.740 32.600 -0.675 0.000 1.353 376 M HN 0.287 nan 8.290 nan 0.000 0.410 377 T N 0.726 115.063 114.554 -0.362 0.000 2.720 377 T HA -0.133 4.213 4.350 -0.006 0.000 0.268 377 T C 1.381 176.066 174.700 -0.025 0.000 1.037 377 T CA 1.752 63.778 62.100 -0.122 0.000 1.144 377 T CB -0.465 68.376 68.868 -0.044 0.000 0.864 377 T HN 0.365 nan 8.240 nan 0.000 0.444 378 N N 1.132 119.795 118.700 -0.061 0.000 2.106 378 N HA -0.084 4.652 4.740 -0.006 0.000 0.188 378 N C 2.080 177.615 175.510 0.042 0.000 1.029 378 N CA 1.381 54.430 53.050 -0.001 0.000 0.848 378 N CB -0.824 37.647 38.487 -0.025 0.000 1.007 378 N HN 0.426 nan 8.380 nan 0.000 0.423 379 V N -1.660 118.248 119.914 -0.010 0.000 2.427 379 V HA -0.107 4.009 4.120 -0.006 0.000 0.248 379 V C 1.846 178.126 176.094 0.311 0.000 1.051 379 V CA 1.275 63.629 62.300 0.089 0.000 1.048 379 V CB -0.941 30.879 31.823 -0.004 0.000 0.666 379 V HN -0.018 nan 8.190 nan 0.000 0.456 380 F N 2.135 122.142 119.950 0.094 0.000 2.069 380 F HA -0.040 4.483 4.527 -0.007 0.000 0.298 380 F C 2.892 178.817 175.800 0.208 0.000 1.113 380 F CA 1.720 59.817 58.000 0.162 0.000 1.214 380 F CB -1.548 37.521 39.000 0.116 0.000 0.978 380 F HN 0.351 nan 8.300 nan 0.000 0.474 381 K N 0.806 121.417 120.400 0.351 0.000 1.977 381 K HA -0.249 4.067 4.320 -0.006 0.000 0.218 381 K C 2.289 179.013 176.600 0.208 0.000 1.051 381 K CA 2.446 58.880 56.287 0.245 0.000 0.953 381 K CB -1.718 30.874 32.500 0.153 0.000 0.727 381 K HN 0.431 nan 8.250 nan 0.000 0.445 382 S N -0.217 115.586 115.700 0.172 0.000 2.399 382 S HA -0.099 4.367 4.470 -0.006 0.000 0.231 382 S C 2.018 176.702 174.600 0.139 0.000 1.022 382 S CA 1.409 59.685 58.200 0.127 0.000 0.983 382 S CB -0.622 62.636 63.200 0.096 0.000 0.803 382 S HN 0.589 nan 8.310 nan 0.000 0.480 383 F N 3.924 123.932 119.950 0.097 0.000 2.134 383 F HA -0.140 4.384 4.527 -0.005 0.000 0.299 383 F C 2.645 178.471 175.800 0.044 0.000 1.097 383 F CA 1.958 60.004 58.000 0.077 0.000 1.264 383 F CB -0.892 38.178 39.000 0.118 0.000 1.001 383 F HN 0.398 nan 8.300 nan 0.000 0.479 384 T N -2.419 112.133 114.554 -0.002 0.000 2.812 384 T HA -0.128 4.218 4.350 -0.006 0.000 0.264 384 T C 1.745 176.337 174.700 -0.179 0.000 1.042 384 T CA 1.394 63.391 62.100 -0.171 0.000 1.140 384 T CB -0.487 68.395 68.868 0.024 0.000 0.870 384 T HN 0.272 nan 8.240 nan 0.000 0.445 385 E N 1.877 122.054 120.200 -0.039 0.000 2.028 385 E HA 0.037 4.383 4.350 -0.006 0.000 0.190 385 E C 1.727 178.279 176.600 -0.080 0.000 0.984 385 E CA 0.863 57.251 56.400 -0.020 0.000 0.800 385 E CB -0.187 29.540 29.700 0.046 0.000 0.758 385 E HN 0.499 nan 8.360 nan 0.000 0.448 386 N N -0.890 117.757 118.700 -0.088 0.000 2.362 386 N HA 0.022 4.758 4.740 -0.006 0.000 0.211 386 N C 0.364 175.775 175.510 -0.165 0.000 1.170 386 N CA 0.342 53.337 53.050 -0.092 0.000 0.828 386 N CB 0.856 39.321 38.487 -0.037 0.000 1.034 386 N HN 0.184 nan 8.380 nan 0.000 0.475 387 C N -1.564 117.558 119.300 -0.297 0.000 3.877 387 C HA 0.121 4.577 4.460 -0.006 0.000 0.391 387 C C 2.033 176.761 174.990 -0.436 0.000 1.417 387 C CA -0.159 58.633 59.018 -0.377 0.000 2.039 387 C CB -0.711 26.707 27.740 -0.536 0.000 2.409 387 C HN 0.209 nan 8.230 nan 0.000 0.448 388 L N 2.795 123.600 121.223 -0.698 0.000 1.971 388 L HA -0.055 4.281 4.340 -0.006 0.000 0.215 388 L C 2.369 179.030 176.870 -0.348 0.000 1.072 388 L CA 2.599 57.106 54.840 -0.554 0.000 0.758 388 L CB -0.743 40.926 42.059 -0.650 0.000 0.889 388 L HN 0.425 nan 8.230 nan 0.000 0.433 389 K N -0.921 119.300 120.400 -0.298 0.000 2.113 389 K HA -0.118 4.198 4.320 -0.006 0.000 0.208 389 K C 1.447 177.939 176.600 -0.181 0.000 1.047 389 K CA 1.218 57.370 56.287 -0.225 0.000 0.928 389 K CB -0.576 31.827 32.500 -0.162 0.000 0.716 389 K HN 0.564 nan 8.250 nan 0.000 0.446 390 G N 0.816 109.523 108.800 -0.155 0.000 3.702 390 G HA2 0.193 4.149 3.960 -0.006 0.000 0.288 390 G HA3 0.193 4.149 3.960 -0.006 0.000 0.288 390 G C 0.077 174.939 174.900 -0.063 0.000 1.193 390 G CA -0.427 44.612 45.100 -0.101 0.000 0.952 390 G HN 0.045 nan 8.290 nan 0.000 0.544 391 I N 1.383 121.918 120.570 -0.059 0.000 2.416 391 I HA 0.411 4.577 4.170 -0.006 0.000 0.288 391 I C 0.743 176.958 176.117 0.164 0.000 1.051 391 I CA -0.234 61.098 61.300 0.053 0.000 1.375 391 I CB 1.029 39.101 38.000 0.120 0.000 1.407 391 I HN 0.145 nan 8.210 nan 0.000 0.516 392 K N 4.862 125.346 120.400 0.140 0.000 2.221 392 K HA 0.920 5.236 4.320 -0.006 0.000 0.243 392 K C -0.624 175.986 176.600 0.017 0.000 0.968 392 K CA -0.464 55.912 56.287 0.148 0.000 0.846 392 K CB 1.828 34.362 32.500 0.057 0.000 1.141 392 K HN 0.772 nan 8.250 nan 0.000 0.434 393 A N 0.930 123.687 122.820 -0.104 0.000 2.330 393 A HA 0.657 4.974 4.320 -0.006 0.000 0.329 393 A C -0.586 176.905 177.584 -0.154 0.000 1.135 393 A CA -0.754 51.093 52.037 -0.317 0.000 0.817 393 A CB 0.838 19.398 19.000 -0.734 0.000 1.269 393 A HN 0.681 nan 8.150 nan 0.000 0.469 394 N N 1.198 119.810 118.700 -0.146 0.000 3.025 394 N HA 0.128 4.865 4.740 -0.006 0.000 0.315 394 N C 0.452 175.900 175.510 -0.104 0.000 1.511 394 N CA -0.072 52.917 53.050 -0.101 0.000 1.097 394 N CB 0.724 39.154 38.487 -0.096 0.000 1.395 394 N HN 0.765 nan 8.380 nan 0.000 0.511 395 E N 0.702 120.844 120.200 -0.096 0.000 2.136 395 E HA -0.280 4.066 4.350 -0.006 0.000 0.208 395 E C 0.911 177.476 176.600 -0.057 0.000 1.035 395 E CA 1.405 57.763 56.400 -0.070 0.000 0.838 395 E CB 0.162 29.837 29.700 -0.040 0.000 0.748 395 E HN 0.402 nan 8.360 nan 0.000 0.459 396 E N 0.580 120.747 120.200 -0.057 0.000 2.038 396 E HA -0.231 4.115 4.350 -0.006 0.000 0.195 396 E C 2.073 178.621 176.600 -0.088 0.000 1.000 396 E CA 1.290 57.657 56.400 -0.056 0.000 0.803 396 E CB -0.421 29.248 29.700 -0.051 0.000 0.750 396 E HN 0.140 nan 8.360 nan 0.000 0.448 397 R N 0.844 121.266 120.500 -0.129 0.000 2.113 397 R HA -0.114 4.222 4.340 -0.006 0.000 0.244 397 R C 2.400 178.529 176.300 -0.286 0.000 1.142 397 R CA 1.970 57.930 56.100 -0.233 0.000 0.953 397 R CB -0.381 29.772 30.300 -0.246 0.000 0.860 397 R HN 0.175 nan 8.270 nan 0.000 0.438 398 M N -0.071 119.440 119.600 -0.148 0.000 2.200 398 M HA -0.075 4.401 4.480 -0.006 0.000 0.265 398 M C 2.167 178.493 176.300 0.043 0.000 1.066 398 M CA 1.577 56.870 55.300 -0.012 0.000 1.127 398 M CB -0.189 32.420 32.600 0.014 0.000 1.379 398 M HN 0.096 nan 8.290 nan 0.000 0.420 399 K N 0.906 121.306 120.400 0.000 0.000 2.020 399 K HA -0.234 4.083 4.320 -0.006 0.000 0.212 399 K C 1.862 178.486 176.600 0.040 0.000 1.050 399 K CA 2.171 58.469 56.287 0.019 0.000 0.929 399 K CB -0.348 32.153 32.500 0.002 0.000 0.714 399 K HN 0.548 nan 8.250 nan 0.000 0.443 400 E N -0.212 119.998 120.200 0.017 0.000 2.204 400 E HA -0.205 4.141 4.350 -0.006 0.000 0.194 400 E C 1.708 178.388 176.600 0.132 0.000 0.989 400 E CA 0.855 57.280 56.400 0.041 0.000 0.824 400 E CB -0.318 29.380 29.700 -0.003 0.000 0.756 400 E HN 0.253 nan 8.360 nan 0.000 0.477 401 Y N 1.422 121.723 120.300 0.001 0.000 2.256 401 Y HA -0.126 4.421 4.550 -0.006 0.000 0.288 401 Y C 2.317 178.219 175.900 0.004 0.000 1.155 401 Y CA 0.444 58.547 58.100 0.004 0.000 1.203 401 Y CB -0.174 38.286 38.460 0.001 0.000 0.980 401 Y HN -0.013 nan 8.280 nan 0.000 0.530 402 V N -0.755 119.259 119.914 0.167 0.000 2.719 402 V HA -0.138 3.978 4.120 -0.006 0.000 0.252 402 V C 2.204 178.335 176.094 0.062 0.000 1.065 402 V CA 1.288 63.638 62.300 0.083 0.000 1.086 402 V CB -0.218 31.642 31.823 0.062 0.000 0.700 402 V HN 0.224 nan 8.190 nan 0.000 0.467 403 E N 1.111 121.352 120.200 0.070 0.000 2.028 403 E HA -0.145 4.202 4.350 -0.006 0.000 0.190 403 E C 2.428 179.060 176.600 0.054 0.000 0.984 403 E CA 1.737 58.168 56.400 0.052 0.000 0.800 403 E CB -0.201 29.527 29.700 0.046 0.000 0.758 403 E HN 0.621 nan 8.360 nan 0.000 0.448 404 K N 1.486 121.931 120.400 0.075 0.000 2.555 404 K HA 0.008 4.324 4.320 -0.006 0.000 0.193 404 K C 1.254 177.888 176.600 0.057 0.000 1.032 404 K CA 0.807 57.137 56.287 0.072 0.000 1.004 404 K CB -0.702 31.857 32.500 0.098 0.000 0.804 404 K HN 0.268 nan 8.250 nan 0.000 0.496 405 S N -1.047 114.678 115.700 0.042 0.000 2.645 405 S HA 0.510 4.977 4.470 -0.006 0.000 0.266 405 S C 0.939 175.546 174.600 0.011 0.000 1.258 405 S CA -0.449 57.758 58.200 0.012 0.000 0.990 405 S CB 1.079 64.275 63.200 -0.007 0.000 0.967 405 S HN 0.073 nan 8.310 nan 0.000 0.556 406 I N 1.215 121.780 120.570 -0.008 0.000 2.947 406 I HA 0.243 4.409 4.170 -0.006 0.000 0.263 406 I C 2.674 178.774 176.117 -0.028 0.000 1.130 406 I CA 1.063 62.354 61.300 -0.015 0.000 1.448 406 I CB -1.266 36.708 38.000 -0.043 0.000 1.222 406 I HN 0.928 nan 8.210 nan 0.000 0.453 407 G N 1.266 110.041 108.800 -0.041 0.000 2.562 407 G HA2 -0.322 3.634 3.960 -0.006 0.000 0.223 407 G HA3 -0.322 3.634 3.960 -0.006 0.000 0.223 407 G C 1.796 176.683 174.900 -0.021 0.000 1.102 407 G CA 1.109 46.186 45.100 -0.039 0.000 0.742 407 G HN 0.472 nan 8.290 nan 0.000 0.587 408 I N 0.084 120.648 120.570 -0.011 0.000 2.623 408 I HA -0.186 3.980 4.170 -0.006 0.000 0.261 408 I C 2.369 178.490 176.117 0.007 0.000 1.204 408 I CA 0.871 62.172 61.300 0.002 0.000 1.444 408 I CB -0.078 37.928 38.000 0.010 0.000 1.094 408 I HN 0.203 nan 8.210 nan 0.000 0.451 409 I N 0.980 121.549 120.570 -0.001 0.000 2.264 409 I HA -0.297 3.869 4.170 -0.006 0.000 0.248 409 I C 2.245 178.367 176.117 0.008 0.000 1.111 409 I CA 1.998 63.300 61.300 0.002 0.000 1.382 409 I CB -0.512 37.481 38.000 -0.013 0.000 1.060 409 I HN 0.194 nan 8.210 nan 0.000 0.418 410 T N 0.831 115.384 114.554 -0.001 0.000 2.759 410 T HA -0.201 4.145 4.350 -0.006 0.000 0.269 410 T C 1.943 176.655 174.700 0.019 0.000 1.042 410 T CA 1.495 63.594 62.100 -0.001 0.000 1.140 410 T CB -0.598 68.262 68.868 -0.012 0.000 0.864 410 T HN 0.541 nan 8.240 nan 0.000 0.455 411 A N 0.921 123.761 122.820 0.034 0.000 1.898 411 A HA 0.046 4.362 4.320 -0.006 0.000 0.216 411 A C 2.274 179.940 177.584 0.136 0.000 1.181 411 A CA 1.080 53.158 52.037 0.069 0.000 0.620 411 A CB -0.615 18.419 19.000 0.058 0.000 0.819 411 A HN 0.524 nan 8.150 nan 0.000 0.442 412 I N -0.061 120.576 120.570 0.111 0.000 2.353 412 I HA -0.223 3.943 4.170 -0.006 0.000 0.248 412 I C 2.328 178.533 176.117 0.147 0.000 1.119 412 I CA 1.301 62.693 61.300 0.154 0.000 1.417 412 I CB -0.526 37.516 38.000 0.069 0.000 1.078 412 I HN 0.535 nan 8.210 nan 0.000 0.421 413 N N 1.678 120.416 118.700 0.064 0.000 2.073 413 N HA -0.231 4.505 4.740 -0.006 0.000 0.199 413 N C -0.806 174.702 175.510 -0.004 0.000 1.023 413 N CA 2.314 55.377 53.050 0.023 0.000 0.880 413 N CB -1.117 37.370 38.487 -0.001 0.000 1.052 413 N HN 0.114 nan 8.380 nan 0.000 0.449 414 P HA -0.101 nan 4.420 nan 0.000 0.217 414 P C 0.118 177.267 177.300 -0.251 0.000 1.148 414 P CA 1.453 64.439 63.100 -0.190 0.000 0.828 414 P CB -0.163 31.355 31.700 -0.304 0.000 0.783 415 H N -2.615 116.459 119.070 0.007 0.000 2.524 415 H HA 0.209 4.761 4.556 -0.006 0.000 0.280 415 H C 0.834 176.167 175.328 0.009 0.000 1.018 415 H CA 0.146 56.199 56.048 0.009 0.000 1.165 415 H CB 0.039 29.808 29.762 0.012 0.000 1.411 415 H HN -0.029 nan 8.280 nan 0.000 0.569 416 V N -1.673 118.288 119.914 0.078 0.000 3.443 416 V HA 0.312 4.429 4.120 -0.006 0.000 0.277 416 V C 0.874 176.983 176.094 0.024 0.000 1.648 416 V CA 0.120 62.453 62.300 0.055 0.000 1.058 416 V CB 0.639 32.494 31.823 0.053 0.000 0.877 416 V HN 0.591 nan 8.190 nan 0.000 0.417 417 G N -0.926 107.878 108.800 0.007 0.000 2.722 417 G HA2 -0.021 3.935 3.960 -0.006 0.000 0.686 417 G HA3 -0.021 3.935 3.960 -0.006 0.000 0.686 417 G C 0.327 175.225 174.900 -0.005 0.000 1.282 417 G CA -0.066 45.032 45.100 -0.003 0.000 0.817 417 G HN 1.142 nan 8.290 nan 0.000 0.605 418 Y N -1.190 119.104 120.300 -0.010 0.000 2.193 418 Y HA 0.134 4.680 4.550 -0.006 0.000 0.285 418 Y C 3.073 178.966 175.900 -0.011 0.000 1.166 418 Y CA 3.280 61.373 58.100 -0.012 0.000 1.181 418 Y CB -1.427 37.025 38.460 -0.014 0.000 0.976 418 Y HN 2.070 nan 8.280 nan 0.000 0.520 419 E N -0.322 119.874 120.200 -0.006 0.000 2.033 419 E HA -0.249 4.098 4.350 -0.006 0.000 0.199 419 E C 1.992 178.587 176.600 -0.009 0.000 1.011 419 E CA 2.370 58.768 56.400 -0.004 0.000 0.815 419 E CB -1.728 27.974 29.700 0.004 0.000 0.755 419 E HN 0.694 nan 8.360 nan 0.000 0.451 420 T N -0.093 114.457 114.554 -0.006 0.000 2.896 420 T HA 0.242 4.589 4.350 -0.006 0.000 0.263 420 T C 2.374 177.051 174.700 -0.038 0.000 1.050 420 T CA 1.224 63.313 62.100 -0.018 0.000 1.140 420 T CB -0.271 68.599 68.868 0.003 0.000 0.877 420 T HN 0.582 nan 8.240 nan 0.000 0.457 421 A N 1.501 124.308 122.820 -0.022 0.000 1.972 421 A HA 0.172 4.488 4.320 -0.006 0.000 0.219 421 A C 2.586 180.149 177.584 -0.035 0.000 1.169 421 A CA 1.722 53.745 52.037 -0.023 0.000 0.635 421 A CB -0.941 18.053 19.000 -0.009 0.000 0.810 421 A HN 0.503 nan 8.150 nan 0.000 0.446 422 A N -0.491 122.310 122.820 -0.032 0.000 1.897 422 A HA 0.134 4.450 4.320 -0.006 0.000 0.215 422 A C 2.382 179.941 177.584 -0.042 0.000 1.181 422 A CA 2.457 54.475 52.037 -0.032 0.000 0.620 422 A CB -0.834 18.151 19.000 -0.025 0.000 0.821 422 A HN 0.653 nan 8.150 nan 0.000 0.443 423 K N 0.142 120.507 120.400 -0.057 0.000 2.026 423 K HA 0.032 4.348 4.320 -0.006 0.000 0.208 423 K C 1.983 178.502 176.600 -0.135 0.000 1.048 423 K CA 1.569 57.804 56.287 -0.087 0.000 0.929 423 K CB -1.299 31.138 32.500 -0.105 0.000 0.713 423 K HN 0.471 nan 8.250 nan 0.000 0.439 424 L N 0.025 121.153 121.223 -0.158 0.000 2.042 424 L HA -0.182 4.155 4.340 -0.006 0.000 0.210 424 L C 3.140 179.961 176.870 -0.082 0.000 1.076 424 L CA 1.359 56.099 54.840 -0.166 0.000 0.749 424 L CB -0.504 41.480 42.059 -0.125 0.000 0.893 424 L HN 0.511 nan 8.230 nan 0.000 0.432 425 A N 0.019 122.810 122.820 -0.048 0.000 1.855 425 A HA -0.182 4.134 4.320 -0.006 0.000 0.215 425 A C 2.364 179.963 177.584 0.025 0.000 1.191 425 A CA 1.364 53.392 52.037 -0.015 0.000 0.613 425 A CB -0.445 18.539 19.000 -0.027 0.000 0.829 425 A HN 0.300 nan 8.150 nan 0.000 0.442 426 R N -0.617 119.895 120.500 0.020 0.000 2.088 426 R HA -0.197 4.140 4.340 -0.006 0.000 0.232 426 R C 2.348 178.700 176.300 0.086 0.000 1.136 426 R CA 1.688 57.834 56.100 0.076 0.000 0.926 426 R CB -0.646 29.678 30.300 0.040 0.000 0.837 426 R HN 0.766 nan 8.270 nan 0.000 0.429 427 E N 0.615 120.823 120.200 0.013 0.000 2.065 427 E HA -0.262 4.084 4.350 -0.006 0.000 0.201 427 E C 1.986 178.593 176.600 0.012 0.000 1.016 427 E CA 1.612 58.010 56.400 -0.003 0.000 0.818 427 E CB -0.127 29.542 29.700 -0.051 0.000 0.749 427 E HN 0.415 nan 8.360 nan 0.000 0.453 428 A N -0.012 122.819 122.820 0.018 0.000 2.024 428 A HA -0.216 4.100 4.320 -0.006 0.000 0.220 428 A C 2.002 179.634 177.584 0.080 0.000 1.164 428 A CA 1.618 53.677 52.037 0.036 0.000 0.643 428 A CB -0.793 18.225 19.000 0.030 0.000 0.806 428 A HN 0.626 nan 8.150 nan 0.000 0.451 429 Y N 0.099 120.386 120.300 -0.022 0.000 2.220 429 Y HA -0.055 4.491 4.550 -0.006 0.000 0.291 429 Y C 1.845 177.738 175.900 -0.012 0.000 1.129 429 Y CA 1.099 59.188 58.100 -0.017 0.000 1.161 429 Y CB -0.161 38.285 38.460 -0.022 0.000 0.997 429 Y HN 0.157 nan 8.280 nan 0.000 0.522 430 L N -0.021 121.067 121.223 -0.226 0.000 2.068 430 L HA -0.105 4.231 4.340 -0.006 0.000 0.204 430 L C 2.567 179.330 176.870 -0.179 0.000 1.076 430 L CA 2.282 56.941 54.840 -0.302 0.000 0.753 430 L CB -2.063 39.909 42.059 -0.145 0.000 0.910 430 L HN 0.448 nan 8.230 nan 0.000 0.439 431 T N -3.430 111.072 114.554 -0.087 0.000 2.896 431 T HA 0.120 4.467 4.350 -0.006 0.000 0.263 431 T C 1.534 176.208 174.700 -0.043 0.000 1.050 431 T CA 1.103 63.173 62.100 -0.050 0.000 1.140 431 T CB 0.079 68.940 68.868 -0.012 0.000 0.877 431 T HN 0.412 nan 8.240 nan 0.000 0.457 432 G N 0.981 109.761 108.800 -0.033 0.000 2.184 432 G HA2 -0.163 3.793 3.960 -0.006 0.000 0.206 432 G HA3 -0.163 3.793 3.960 -0.006 0.000 0.206 432 G C -0.291 174.617 174.900 0.013 0.000 0.995 432 G CA -0.118 44.976 45.100 -0.011 0.000 0.651 432 G HN 0.664 nan 8.290 nan 0.000 0.511 433 E N 1.462 121.672 120.200 0.016 0.000 2.343 433 E HA 0.517 4.863 4.350 -0.006 0.000 0.269 433 E C 0.962 177.580 176.600 0.030 0.000 1.047 433 E CA 0.133 56.548 56.400 0.024 0.000 0.874 433 E CB 1.091 30.807 29.700 0.027 0.000 1.033 433 E HN 0.509 nan 8.360 nan 0.000 0.409 434 S N 2.118 117.837 115.700 0.031 0.000 2.576 434 S HA -0.006 4.461 4.470 -0.006 0.000 0.272 434 S C 1.076 175.692 174.600 0.026 0.000 1.352 434 S CA -0.557 57.663 58.200 0.032 0.000 1.021 434 S CB 0.601 63.820 63.200 0.032 0.000 0.887 434 S HN 0.715 nan 8.310 nan 0.000 0.542 435 I N 0.922 121.505 120.570 0.023 0.000 2.493 435 I HA -0.134 4.032 4.170 -0.006 0.000 0.254 435 I C 2.662 178.787 176.117 0.014 0.000 1.160 435 I CA 1.237 62.544 61.300 0.012 0.000 1.445 435 I CB -0.225 37.781 38.000 0.009 0.000 1.086 435 I HN 0.919 nan 8.210 nan 0.000 0.433 436 R N 1.057 121.569 120.500 0.020 0.000 2.073 436 R HA -0.218 4.118 4.340 -0.006 0.000 0.234 436 R C 2.032 178.348 176.300 0.027 0.000 1.134 436 R CA 2.042 58.154 56.100 0.020 0.000 0.952 436 R CB -0.270 30.042 30.300 0.020 0.000 0.850 436 R HN 0.444 nan 8.270 nan 0.000 0.433 437 E N 0.279 120.497 120.200 0.030 0.000 2.051 437 E HA -0.201 4.145 4.350 -0.006 0.000 0.192 437 E C 1.956 178.590 176.600 0.056 0.000 0.991 437 E CA 1.357 57.780 56.400 0.039 0.000 0.799 437 E CB -0.115 29.608 29.700 0.038 0.000 0.748 437 E HN 0.204 nan 8.360 nan 0.000 0.449 438 L N 0.446 121.699 121.223 0.050 0.000 2.187 438 L HA -0.203 4.133 4.340 -0.006 0.000 0.213 438 L C 2.209 179.127 176.870 0.081 0.000 1.100 438 L CA 1.221 56.099 54.840 0.063 0.000 0.765 438 L CB -0.417 41.631 42.059 -0.017 0.000 0.904 438 L HN 0.295 nan 8.230 nan 0.000 0.437 439 C N -1.276 118.056 119.300 0.053 0.000 2.467 439 C HA -0.004 4.452 4.460 -0.006 0.000 0.279 439 C C 2.652 177.690 174.990 0.081 0.000 1.347 439 C CA 0.172 59.226 59.018 0.059 0.000 1.748 439 C CB -0.495 27.264 27.740 0.032 0.000 1.977 439 C HN 0.457 nan 8.230 nan 0.000 0.501 440 I N 1.146 121.757 120.570 0.069 0.000 2.339 440 I HA -0.049 4.117 4.170 -0.006 0.000 0.245 440 I C 2.917 179.077 176.117 0.072 0.000 1.096 440 I CA 1.497 62.832 61.300 0.058 0.000 1.408 440 I CB -0.580 37.443 38.000 0.039 0.000 1.092 440 I HN 0.261 nan 8.210 nan 0.000 0.423 441 K N 0.560 121.015 120.400 0.092 0.000 2.009 441 K HA -0.234 4.082 4.320 -0.006 0.000 0.210 441 K C 1.842 178.500 176.600 0.096 0.000 1.049 441 K CA 1.838 58.178 56.287 0.089 0.000 0.929 441 K CB -1.674 30.898 32.500 0.119 0.000 0.714 441 K HN 0.383 nan 8.250 nan 0.000 0.440 442 Y N 0.438 120.743 120.300 0.009 0.000 2.583 442 Y HA 0.250 4.796 4.550 -0.006 0.000 0.293 442 Y C 1.418 177.323 175.900 0.010 0.000 1.157 442 Y CA 0.373 58.479 58.100 0.010 0.000 1.315 442 Y CB -0.222 38.246 38.460 0.012 0.000 1.021 442 Y HN 0.548 nan 8.280 nan 0.000 0.536 443 G N 0.851 109.728 108.800 0.128 0.000 2.292 443 G HA2 -0.207 3.749 3.960 -0.006 0.000 0.221 443 G HA3 -0.207 3.749 3.960 -0.006 0.000 0.221 443 G C 0.288 175.242 174.900 0.090 0.000 0.657 443 G CA 0.590 45.737 45.100 0.077 0.000 1.036 443 G HN 0.488 nan 8.290 nan 0.000 0.309 444 V N 3.466 123.428 119.914 0.080 0.000 3.213 444 V HA 0.496 4.612 4.120 -0.006 0.000 0.260 444 V C 0.357 176.480 176.094 0.048 0.000 1.663 444 V CA 1.197 63.539 62.300 0.071 0.000 1.026 444 V CB 0.052 31.925 31.823 0.083 0.000 0.874 444 V HN 0.757 nan 8.190 nan 0.000 0.410 445 L N 1.671 122.918 121.223 0.040 0.000 2.526 445 L HA 0.519 4.855 4.340 -0.006 0.000 0.263 445 L C -0.196 176.683 176.870 0.016 0.000 0.943 445 L CA -0.184 54.668 54.840 0.020 0.000 0.859 445 L CB 2.339 44.404 42.059 0.010 0.000 1.313 445 L HN 0.253 nan 8.230 nan 0.000 0.406 446 T N -3.007 111.551 114.554 0.007 0.000 2.882 446 T HA 0.179 4.525 4.350 -0.006 0.000 0.287 446 T C 0.929 175.629 174.700 0.001 0.000 1.014 446 T CA -0.649 61.455 62.100 0.007 0.000 1.049 446 T CB 1.811 70.682 68.868 0.004 0.000 1.001 446 T HN 0.581 nan 8.240 nan 0.000 0.525 447 E N 0.842 121.045 120.200 0.004 0.000 2.147 447 E HA -0.220 4.126 4.350 -0.006 0.000 0.199 447 E C 1.768 178.366 176.600 -0.005 0.000 1.005 447 E CA 1.780 58.181 56.400 0.002 0.000 0.810 447 E CB -0.013 29.689 29.700 0.005 0.000 0.736 447 E HN 0.755 nan 8.360 nan 0.000 0.460 448 E N 0.283 120.479 120.200 -0.006 0.000 2.028 448 E HA -0.133 4.213 4.350 -0.006 0.000 0.190 448 E C 1.968 178.555 176.600 -0.022 0.000 0.984 448 E CA 0.877 57.271 56.400 -0.010 0.000 0.800 448 E CB -0.343 29.353 29.700 -0.007 0.000 0.758 448 E HN 0.231 nan 8.360 nan 0.000 0.448 449 Q N -0.120 119.665 119.800 -0.026 0.000 2.297 449 Q HA -0.165 4.171 4.340 -0.006 0.000 0.208 449 Q C 1.684 177.637 176.000 -0.078 0.000 0.981 449 Q CA 0.753 56.527 55.803 -0.047 0.000 0.876 449 Q CB 0.020 28.738 28.738 -0.034 0.000 0.921 449 Q HN 0.184 nan 8.270 nan 0.000 0.446 450 L N 0.379 121.571 121.223 -0.051 0.000 2.127 450 L HA -0.035 4.302 4.340 -0.006 0.000 0.203 450 L C 1.652 178.494 176.870 -0.046 0.000 1.080 450 L CA 1.415 56.224 54.840 -0.052 0.000 0.768 450 L CB -0.285 41.761 42.059 -0.022 0.000 0.924 450 L HN 0.224 nan 8.230 nan 0.000 0.444 451 N N -0.326 118.357 118.700 -0.029 0.000 2.331 451 N HA -0.151 4.585 4.740 -0.006 0.000 0.180 451 N C 1.505 177.003 175.510 -0.019 0.000 1.019 451 N CA 1.149 54.190 53.050 -0.015 0.000 0.881 451 N CB 0.088 38.572 38.487 -0.006 0.000 0.972 451 N HN 0.543 nan 8.380 nan 0.000 0.435 452 E N 1.078 121.255 120.200 -0.038 0.000 2.478 452 E HA 0.008 4.355 4.350 -0.006 0.000 0.198 452 E C 1.706 178.272 176.600 -0.057 0.000 1.046 452 E CA 0.415 56.793 56.400 -0.037 0.000 0.870 452 E CB -0.412 29.262 29.700 -0.044 0.000 0.818 452 E HN 0.377 nan 8.360 nan 0.000 0.527 453 I N -0.946 119.569 120.570 -0.093 0.000 3.194 453 I HA 0.121 4.287 4.170 -0.006 0.000 0.271 453 I C 1.588 177.697 176.117 -0.014 0.000 1.150 453 I CA 0.061 61.293 61.300 -0.113 0.000 1.440 453 I CB 0.423 38.266 38.000 -0.261 0.000 1.276 453 I HN 0.117 nan 8.210 nan 0.000 0.457 454 L N 2.725 123.941 121.223 -0.012 0.000 2.930 454 L HA 0.026 4.362 4.340 -0.006 0.000 0.250 454 L C 0.380 177.269 176.870 0.032 0.000 1.320 454 L CA -0.146 54.703 54.840 0.015 0.000 1.163 454 L CB -1.320 40.745 42.059 0.010 0.000 1.542 454 L HN 0.260 nan 8.230 nan 0.000 0.428 455 N N 2.046 120.774 118.700 0.047 0.000 2.431 455 N HA 0.058 4.794 4.740 -0.006 0.000 0.265 455 N C -1.225 174.344 175.510 0.098 0.000 1.184 455 N CA -1.770 51.325 53.050 0.074 0.000 0.943 455 N CB 1.278 39.819 38.487 0.091 0.000 1.080 455 N HN -0.009 nan 8.380 nan 0.000 0.477 456 P HA -0.232 nan 4.420 nan 0.000 0.216 456 P C 1.046 178.422 177.300 0.127 0.000 1.157 456 P CA 1.510 64.666 63.100 0.095 0.000 0.880 456 P CB 0.005 31.763 31.700 0.095 0.000 0.791 457 Y N 1.194 121.551 120.300 0.094 0.000 2.130 457 Y HA -0.099 4.448 4.550 -0.006 0.000 0.287 457 Y C 2.747 178.786 175.900 0.232 0.000 1.124 457 Y CA 1.811 60.018 58.100 0.179 0.000 1.118 457 Y CB -0.843 37.695 38.460 0.130 0.000 0.994 457 Y HN -0.087 nan 8.280 nan 0.000 0.497 458 E N -0.175 120.283 120.200 0.429 0.000 2.267 458 E HA -0.264 4.083 4.350 -0.006 0.000 0.197 458 E C 2.082 178.772 176.600 0.150 0.000 0.998 458 E CA 1.203 57.784 56.400 0.303 0.000 0.830 458 E CB -0.201 29.632 29.700 0.222 0.000 0.751 458 E HN 0.610 nan 8.360 nan 0.000 0.491 459 M N 0.476 120.132 119.600 0.094 0.000 2.476 459 M HA 0.036 4.513 4.480 -0.006 0.000 0.262 459 M C 1.555 177.827 176.300 -0.046 0.000 1.111 459 M CA 0.700 56.021 55.300 0.035 0.000 1.127 459 M CB 0.289 32.911 32.600 0.036 0.000 1.376 459 M HN 0.175 nan 8.290 nan 0.000 0.465 460 I N -2.500 117.987 120.570 -0.139 0.000 3.914 460 I HA 0.297 4.464 4.170 -0.006 0.000 0.333 460 I C -0.406 175.339 176.117 -0.619 0.000 1.449 460 I CA -0.457 60.643 61.300 -0.334 0.000 1.135 460 I CB -0.158 37.603 38.000 -0.398 0.000 1.073 460 I HN 0.003 nan 8.210 nan 0.000 0.401 461 H N 2.015 120.979 119.070 -0.178 0.000 2.895 461 H HA 0.486 5.039 4.556 -0.006 0.000 0.373 461 H C -2.435 172.860 175.328 -0.055 0.000 1.174 461 H CA -1.390 54.566 56.048 -0.152 0.000 1.144 461 H CB 1.939 31.556 29.762 -0.241 0.000 1.793 461 H HN 0.038 nan 8.280 nan 0.000 0.551 462 P HA 0.343 nan 4.420 nan 0.000 0.271 462 P C -0.037 177.305 177.300 0.071 0.000 1.216 462 P CA -0.103 63.031 63.100 0.057 0.000 0.776 462 P CB 1.136 32.862 31.700 0.043 0.000 0.881 463 G N 1.143 109.972 108.800 0.050 0.000 2.368 463 G HA2 0.299 4.255 3.960 -0.006 0.000 0.293 463 G HA3 0.299 4.255 3.960 -0.006 0.000 0.293 463 G C -1.022 173.896 174.900 0.029 0.000 1.467 463 G CA -0.832 44.297 45.100 0.049 0.000 0.804 463 G HN 0.612 nan 8.290 nan 0.000 0.535 464 I N 0.245 120.830 120.570 0.024 0.000 3.363 464 I HA 0.404 4.571 4.170 -0.006 0.000 0.234 464 I C 1.819 177.935 176.117 -0.003 0.000 1.263 464 I CA 0.239 61.543 61.300 0.006 0.000 0.921 464 I CB 1.138 39.142 38.000 0.007 0.000 1.614 464 I HN 0.712 nan 8.210 nan 0.000 0.879 465 A N 1.869 124.668 122.820 -0.036 0.000 2.238 465 A HA 0.359 4.676 4.320 -0.006 0.000 0.210 465 A C 0.680 178.228 177.584 -0.060 0.000 1.179 465 A CA 0.599 52.576 52.037 -0.100 0.000 0.827 465 A CB -0.725 18.168 19.000 -0.178 0.000 0.856 465 A HN 0.809 nan 8.150 nan 0.000 0.488 466 G N 0.000 108.808 108.800 0.013 0.000 5.446 466 G HA2 0.000 3.956 3.960 -0.006 0.000 0.244 466 G HA3 0.000 3.956 3.960 -0.006 0.000 0.244 466 G CA 0.000 45.141 45.100 0.068 0.000 0.502 466 G HN 0.000 nan 8.290 nan 0.000 0.925