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 1uw8_1_A DATA FIRST_RESID 6 DATA SEQUENCE DIPQPIRGDK GATVKIPRNI ERDRQNPDML VPPETDHGTV SNMKFSFSDT DATA SEQUENCE HNRLEKGGYA REVTVRELPI SENLASVNMR LKPGAIRELH WHKEAEWAYM DATA SEQUENCE IYGSARVTIV DEKGRSFIDD VGEGDLWYFP SGLPHSIQAL EEGAEFLLVF DATA SEQUENCE DDGSFSENST FQLTDWLAHT PKEVIAANFG VTKEEISNLP GKEKYIFENQ DATA SEQUENCE LPGSLKDDIV EGPNGEVPYP FTYRLLEQEP IESEGGKVYI ADSTNFKVSK DATA SEQUENCE TIASALVTVE PGAMRELHWH PNTHEWQYYI SGKARMTVFA SDGHARTFNY DATA SEQUENCE QAGDVGYVPF AMGHYVENIG DEPLVFLEIF KDDHYADVSL NQWLAMLPET DATA SEQUENCE FVQAHLDLGK DFTDVLSKEK HPVVKKK 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 6 D HA 0.000 nan 4.640 nan 0.000 0.175 6 D C 0.000 176.295 176.300 -0.008 0.000 2.045 6 D CA 0.000 53.996 54.000 -0.006 0.000 0.868 6 D CB 0.000 40.797 40.800 -0.005 0.000 0.688 7 I N 2.832 123.397 120.570 -0.009 0.000 2.371 7 I HA 0.264 4.434 4.170 0.001 0.000 0.282 7 I C -1.921 174.188 176.117 -0.013 0.000 1.031 7 I CA -1.439 59.854 61.300 -0.012 0.000 1.180 7 I CB 1.599 39.592 38.000 -0.011 0.000 1.336 7 I HN 0.051 nan 8.210 nan 0.000 0.467 8 P HA 0.159 nan 4.420 nan 0.000 0.272 8 P C -1.082 176.207 177.300 -0.019 0.000 1.223 8 P CA -0.286 62.804 63.100 -0.017 0.000 0.784 8 P CB 1.003 32.690 31.700 -0.021 0.000 0.923 9 Q N 1.473 121.262 119.800 -0.018 0.000 2.397 9 Q HA 0.342 4.682 4.340 0.001 0.000 0.275 9 Q C -2.389 173.598 176.000 -0.022 0.000 1.090 9 Q CA -2.046 53.745 55.803 -0.019 0.000 0.809 9 Q CB 2.108 30.836 28.738 -0.016 0.000 1.362 9 Q HN 0.347 nan 8.270 nan 0.000 0.431 10 P HA 0.267 nan 4.420 nan 0.000 0.237 10 P C -0.584 176.703 177.300 -0.023 0.000 1.788 10 P CA 0.346 63.430 63.100 -0.027 0.000 1.061 10 P CB -0.273 31.409 31.700 -0.030 0.000 1.967 11 I N 1.467 122.025 120.570 -0.020 0.000 2.533 11 I HA 0.424 4.595 4.170 0.001 0.000 0.290 11 I C 0.346 176.454 176.117 -0.016 0.000 1.056 11 I CA -0.795 60.495 61.300 -0.017 0.000 1.057 11 I CB 3.091 41.082 38.000 -0.014 0.000 1.240 11 I HN -0.040 nan 8.210 nan 0.000 0.423 12 R N 4.773 125.265 120.500 -0.015 0.000 2.545 12 R HA 0.545 4.885 4.340 0.001 0.000 0.289 12 R C 0.402 176.696 176.300 -0.011 0.000 1.327 12 R CA 0.336 56.428 56.100 -0.013 0.000 1.040 12 R CB 1.101 31.393 30.300 -0.014 0.000 1.176 12 R HN 0.927 nan 8.270 nan 0.000 0.518 13 G N 3.820 112.615 108.800 -0.010 0.000 2.602 13 G HA2 -0.439 3.522 3.960 0.001 0.000 0.310 13 G HA3 -0.439 3.522 3.960 0.001 0.000 0.310 13 G C 0.197 175.092 174.900 -0.009 0.000 1.183 13 G CA 0.686 45.781 45.100 -0.009 0.000 0.979 13 G HN 0.760 nan 8.290 nan 0.000 0.545 14 D N 1.405 121.800 120.400 -0.009 0.000 2.342 14 D HA 0.274 4.915 4.640 0.001 0.000 0.221 14 D C 0.752 177.046 176.300 -0.009 0.000 1.101 14 D CA 0.467 54.462 54.000 -0.009 0.000 0.837 14 D CB 0.106 40.901 40.800 -0.008 0.000 0.938 14 D HN 0.633 nan 8.370 nan 0.000 0.508 15 K N 0.188 120.582 120.400 -0.010 0.000 2.156 15 K HA 0.592 4.913 4.320 0.001 0.000 0.250 15 K C 0.587 177.179 176.600 -0.013 0.000 0.955 15 K CA -0.449 55.831 56.287 -0.011 0.000 0.855 15 K CB 1.966 34.459 32.500 -0.011 0.000 1.101 15 K HN 0.148 nan 8.250 nan 0.000 0.434 16 G N 0.353 109.144 108.800 -0.015 0.000 2.725 16 G HA2 0.136 4.097 3.960 0.001 0.000 0.220 16 G HA3 0.136 4.097 3.960 0.001 0.000 0.220 16 G C -1.119 173.772 174.900 -0.015 0.000 1.357 16 G CA -0.489 44.601 45.100 -0.017 0.000 0.866 16 G HN 0.938 nan 8.290 nan 0.000 0.548 17 A N -1.924 120.886 122.820 -0.016 0.000 2.566 17 A HA 1.024 5.344 4.320 0.001 0.000 0.290 17 A C 0.258 177.833 177.584 -0.015 0.000 1.071 17 A CA 0.827 52.855 52.037 -0.014 0.000 0.658 17 A CB 0.467 19.459 19.000 -0.013 0.000 1.285 17 A HN 2.624 nan 8.150 nan 0.000 0.427 18 T N -0.665 113.881 114.554 -0.014 0.000 2.900 18 T HA 0.481 4.832 4.350 0.001 0.000 0.307 18 T C 0.251 174.942 174.700 -0.015 0.000 1.065 18 T CA -0.320 61.772 62.100 -0.014 0.000 1.105 18 T CB 0.470 69.331 68.868 -0.012 0.000 0.979 18 T HN 1.089 nan 8.240 nan 0.000 0.544 19 V N 3.651 123.556 119.914 -0.016 0.000 2.488 19 V HA 0.203 4.324 4.120 0.001 0.000 0.277 19 V C 1.204 177.290 176.094 -0.014 0.000 1.046 19 V CA -0.363 61.927 62.300 -0.016 0.000 0.986 19 V CB 0.840 32.652 31.823 -0.018 0.000 0.989 19 V HN 0.876 nan 8.190 nan 0.000 0.475 20 K N 3.918 124.310 120.400 -0.013 0.000 2.360 20 K HA 0.328 4.649 4.320 0.001 0.000 0.196 20 K C 0.361 176.954 176.600 -0.011 0.000 1.049 20 K CA 0.278 56.558 56.287 -0.011 0.000 1.049 20 K CB 0.545 33.039 32.500 -0.010 0.000 0.881 20 K HN 0.806 nan 8.250 nan 0.000 0.542 21 I N -0.743 119.820 120.570 -0.012 0.000 2.947 21 I HA 0.463 4.633 4.170 0.001 0.000 0.314 21 I C -2.431 173.679 176.117 -0.012 0.000 1.028 21 I CA -2.716 58.577 61.300 -0.012 0.000 1.077 21 I CB 0.507 38.500 38.000 -0.012 0.000 1.274 21 I HN -0.283 nan 8.210 nan 0.000 0.485 22 P HA 0.206 nan 4.420 nan 0.000 0.266 22 P C -1.247 176.044 177.300 -0.014 0.000 1.195 22 P CA -0.064 63.029 63.100 -0.012 0.000 0.768 22 P CB 0.404 32.098 31.700 -0.010 0.000 0.838 23 R N 0.921 121.412 120.500 -0.016 0.000 2.781 23 R HA 0.515 4.856 4.340 0.001 0.000 0.269 23 R C -1.100 175.188 176.300 -0.020 0.000 1.025 23 R CA -0.994 55.095 56.100 -0.019 0.000 0.914 23 R CB 0.907 31.195 30.300 -0.020 0.000 1.236 23 R HN 0.123 nan 8.270 nan 0.000 0.465 24 N N 1.443 120.128 118.700 -0.024 0.000 2.699 24 N HA 0.131 4.872 4.740 0.001 0.000 0.232 24 N C 0.116 175.609 175.510 -0.029 0.000 1.027 24 N CA -0.336 52.698 53.050 -0.027 0.000 0.920 24 N CB 0.976 39.444 38.487 -0.032 0.000 1.148 24 N HN 0.715 nan 8.380 nan 0.000 0.509 25 I N 2.990 123.545 120.570 -0.024 0.000 2.315 25 I HA -0.154 4.017 4.170 0.001 0.000 0.248 25 I C 1.497 177.598 176.117 -0.026 0.000 1.117 25 I CA 1.443 62.728 61.300 -0.024 0.000 1.404 25 I CB 0.295 38.284 38.000 -0.019 0.000 1.071 25 I HN 0.437 nan 8.210 nan 0.000 0.419 26 E N 0.118 120.302 120.200 -0.026 0.000 2.077 26 E HA -0.186 4.164 4.350 0.001 0.000 0.193 26 E C 2.340 178.919 176.600 -0.036 0.000 0.989 26 E CA 1.233 57.617 56.400 -0.027 0.000 0.800 26 E CB -0.238 29.448 29.700 -0.024 0.000 0.746 26 E HN 0.391 nan 8.360 nan 0.000 0.452 27 R N 0.569 121.044 120.500 -0.043 0.000 2.075 27 R HA -0.114 4.227 4.340 0.001 0.000 0.232 27 R C 1.638 177.904 176.300 -0.057 0.000 1.126 27 R CA 1.390 57.456 56.100 -0.056 0.000 0.963 27 R CB -0.189 30.074 30.300 -0.062 0.000 0.858 27 R HN 0.188 nan 8.270 nan 0.000 0.435 28 D N 0.278 120.650 120.400 -0.048 0.000 2.123 28 D HA -0.152 4.489 4.640 0.001 0.000 0.196 28 D C 1.897 178.170 176.300 -0.045 0.000 0.992 28 D CA 1.232 55.203 54.000 -0.047 0.000 0.833 28 D CB -0.112 40.665 40.800 -0.039 0.000 0.954 28 D HN 0.181 nan 8.370 nan 0.000 0.455 29 R N 0.218 120.695 120.500 -0.038 0.000 2.115 29 R HA -0.028 4.313 4.340 0.001 0.000 0.230 29 R C 2.284 178.560 176.300 -0.040 0.000 1.111 29 R CA 0.767 56.847 56.100 -0.033 0.000 0.976 29 R CB -0.077 30.208 30.300 -0.025 0.000 0.870 29 R HN 0.340 nan 8.270 nan 0.000 0.445 30 Q N 0.026 119.797 119.800 -0.049 0.000 2.297 30 Q HA -0.025 4.316 4.340 0.001 0.000 0.204 30 Q C 0.069 176.019 176.000 -0.083 0.000 0.962 30 Q CA 0.688 56.454 55.803 -0.062 0.000 0.879 30 Q CB 0.268 28.965 28.738 -0.068 0.000 0.947 30 Q HN 0.241 nan 8.270 nan 0.000 0.462 31 N N 0.400 119.050 118.700 -0.084 0.000 2.699 31 N HA 0.112 4.853 4.740 0.001 0.000 0.317 31 N C -2.121 173.340 175.510 -0.083 0.000 1.661 31 N CA -1.171 51.818 53.050 -0.101 0.000 0.979 31 N CB 0.838 39.259 38.487 -0.110 0.000 1.329 31 N HN 0.130 nan 8.380 nan 0.000 0.497 32 P HA -0.083 nan 4.420 nan 0.000 0.218 32 P C 0.286 177.554 177.300 -0.053 0.000 1.149 32 P CA 1.203 64.274 63.100 -0.049 0.000 0.817 32 P CB 0.506 32.187 31.700 -0.032 0.000 0.785 33 D N -1.279 119.083 120.400 -0.064 0.000 2.340 33 D HA 0.122 4.763 4.640 0.001 0.000 0.220 33 D C 1.705 177.936 176.300 -0.115 0.000 1.039 33 D CA 0.586 54.545 54.000 -0.068 0.000 0.866 33 D CB 0.193 40.965 40.800 -0.047 0.000 0.913 33 D HN 0.311 nan 8.370 nan 0.000 0.523 34 M N -0.461 119.063 119.600 -0.127 0.000 2.800 34 M HA 0.042 4.523 4.480 0.001 0.000 0.257 34 M C 1.933 178.169 176.300 -0.107 0.000 1.309 34 M CA 0.135 55.345 55.300 -0.151 0.000 1.202 34 M CB 0.218 32.719 32.600 -0.164 0.000 1.273 34 M HN -0.084 nan 8.290 nan 0.000 0.528 35 L N 0.644 121.817 121.223 -0.083 0.000 2.083 35 L HA -0.001 4.340 4.340 0.001 0.000 0.209 35 L C 0.499 177.336 176.870 -0.055 0.000 1.083 35 L CA 1.287 56.089 54.840 -0.063 0.000 0.752 35 L CB 0.262 42.290 42.059 -0.053 0.000 0.899 35 L HN 0.039 nan 8.230 nan 0.000 0.433 36 V N 0.880 120.761 119.914 -0.054 0.000 2.383 36 V HA 0.347 4.467 4.120 0.001 0.000 0.264 36 V C -2.284 173.782 176.094 -0.047 0.000 1.001 36 V CA -1.411 60.863 62.300 -0.044 0.000 0.828 36 V CB 0.596 32.400 31.823 -0.031 0.000 1.069 36 V HN 0.098 nan 8.190 nan 0.000 0.451 37 P HA 0.283 nan 4.420 nan 0.000 0.272 37 P C -2.604 174.679 177.300 -0.028 0.000 1.240 37 P CA -1.293 61.771 63.100 -0.060 0.000 0.791 37 P CB -0.091 31.560 31.700 -0.083 0.000 0.978 38 P HA -0.014 nan 4.420 nan 0.000 0.269 38 P C 0.835 178.138 177.300 0.006 0.000 1.209 38 P CA 0.112 63.218 63.100 0.010 0.000 0.776 38 P CB 0.216 31.939 31.700 0.038 0.000 0.876 39 E N 0.634 120.838 120.200 0.006 0.000 2.338 39 E HA -0.156 4.195 4.350 0.001 0.000 0.197 39 E C 0.692 177.303 176.600 0.019 0.000 1.007 39 E CA 1.380 57.784 56.400 0.007 0.000 0.849 39 E CB -0.788 28.912 29.700 0.000 0.000 0.774 39 E HN 0.465 nan 8.360 nan 0.000 0.506 40 T N -1.575 112.994 114.554 0.025 0.000 3.113 40 T HA -0.007 4.344 4.350 0.001 0.000 0.256 40 T C 0.245 174.989 174.700 0.073 0.000 1.131 40 T CA 0.063 62.185 62.100 0.037 0.000 1.074 40 T CB -0.163 68.724 68.868 0.031 0.000 0.944 40 T HN -0.037 nan 8.240 nan 0.000 0.516 41 D N 1.718 122.156 120.400 0.063 0.000 2.372 41 D HA 0.293 4.934 4.640 0.001 0.000 0.243 41 D C -0.188 176.176 176.300 0.107 0.000 1.121 41 D CA 0.350 54.391 54.000 0.068 0.000 0.898 41 D CB 0.350 41.149 40.800 -0.002 0.000 1.202 41 D HN 0.375 nan 8.370 nan 0.000 0.428 42 H N 0.063 119.116 119.070 -0.029 0.000 3.085 42 H HA 0.466 5.023 4.556 0.001 0.000 0.356 42 H C 0.042 175.250 175.328 -0.200 0.000 1.178 42 H CA 0.032 56.021 56.048 -0.098 0.000 1.214 42 H CB 1.445 31.152 29.762 -0.092 0.000 1.881 42 H HN 0.638 nan 8.280 nan 0.000 0.538 43 G N 1.841 110.078 108.800 -0.938 0.000 2.781 43 G HA2 -0.206 3.755 3.960 0.001 0.000 0.683 43 G HA3 -0.206 3.755 3.960 0.001 0.000 0.683 43 G C -0.740 173.987 174.900 -0.288 0.000 1.390 43 G CA -0.256 44.333 45.100 -0.852 0.000 0.850 43 G HN 0.632 nan 8.290 nan 0.000 0.557 44 T N 0.619 115.124 114.554 -0.082 0.000 2.761 44 T HA 0.508 4.859 4.350 0.001 0.000 0.296 44 T C 0.390 175.184 174.700 0.157 0.000 0.934 44 T CA 0.076 62.202 62.100 0.043 0.000 1.091 44 T CB 1.169 70.070 68.868 0.054 0.000 0.896 44 T HN 1.045 nan 8.240 nan 0.000 0.515 45 V N 3.118 123.105 119.914 0.121 0.000 2.709 45 V HA 0.364 4.485 4.120 0.001 0.000 0.308 45 V C 0.378 176.571 176.094 0.164 0.000 1.062 45 V CA -1.035 61.362 62.300 0.162 0.000 0.901 45 V CB 2.315 34.264 31.823 0.210 0.000 1.003 45 V HN 0.910 nan 8.190 nan 0.000 0.425 46 S N 2.713 118.492 115.700 0.131 0.000 2.566 46 S HA 0.044 4.515 4.470 0.001 0.000 0.280 46 S C 0.329 175.017 174.600 0.148 0.000 1.343 46 S CA 0.038 58.298 58.200 0.100 0.000 1.036 46 S CB 0.046 63.268 63.200 0.038 0.000 0.866 46 S HN 0.860 nan 8.310 nan 0.000 0.526 47 N N 1.357 120.121 118.700 0.107 0.000 2.458 47 N HA 0.014 4.754 4.740 0.001 0.000 0.258 47 N C 0.066 175.490 175.510 -0.144 0.000 1.219 47 N CA 0.497 53.603 53.050 0.092 0.000 0.902 47 N CB 0.204 38.747 38.487 0.094 0.000 1.076 47 N HN 0.371 nan 8.380 nan 0.000 0.455 48 M N 2.178 121.451 119.600 -0.547 0.000 2.705 48 M HA 0.185 4.666 4.480 0.001 0.000 0.387 48 M C -0.416 175.660 176.300 -0.373 0.000 1.204 48 M CA 0.041 54.995 55.300 -0.576 0.000 0.905 48 M CB -0.909 31.131 32.600 -0.934 0.000 1.394 48 M HN 0.583 nan 8.290 nan 0.000 0.515 49 K N 0.452 120.738 120.400 -0.189 0.000 2.550 49 K HA 0.546 4.866 4.320 0.001 0.000 0.252 49 K C -2.303 174.363 176.600 0.109 0.000 0.943 49 K CA -0.298 55.989 56.287 -0.001 0.000 0.806 49 K CB 2.553 34.937 32.500 -0.192 0.000 1.289 49 K HN -0.001 nan 8.250 nan 0.000 0.435 50 F N 1.451 121.377 119.950 -0.041 0.000 2.628 50 F HA 0.325 4.854 4.527 0.005 0.000 0.309 50 F C -1.078 174.702 175.800 -0.034 0.000 1.108 50 F CA -0.388 57.578 58.000 -0.056 0.000 0.971 50 F CB 2.357 41.304 39.000 -0.089 0.000 1.279 50 F HN 0.445 nan 8.300 nan 0.000 0.441 51 S N 4.016 119.541 115.700 -0.291 0.000 2.462 51 S HA 0.354 4.824 4.470 0.001 0.000 0.294 51 S C 0.830 175.496 174.600 0.111 0.000 1.144 51 S CA -0.385 57.791 58.200 -0.040 0.000 1.088 51 S CB 0.479 63.613 63.200 -0.109 0.000 1.009 51 S HN 0.562 nan 8.310 nan 0.000 0.484 52 F N 3.056 123.159 119.950 0.255 0.000 2.250 52 F HA -0.075 4.454 4.527 0.003 0.000 0.301 52 F C 2.687 178.581 175.800 0.157 0.000 1.077 52 F CA 1.297 59.452 58.000 0.258 0.000 1.348 52 F CB -0.310 38.852 39.000 0.271 0.000 1.040 52 F HN 0.547 nan 8.300 nan 0.000 0.509 53 S N -0.969 114.884 115.700 0.256 0.000 2.447 53 S HA -0.142 4.328 4.470 0.001 0.000 0.233 53 S C 1.069 175.711 174.600 0.070 0.000 1.006 53 S CA 0.995 59.270 58.200 0.125 0.000 0.957 53 S CB -0.256 62.986 63.200 0.070 0.000 0.773 53 S HN 0.308 nan 8.310 nan 0.000 0.507 54 D N 2.013 122.435 120.400 0.037 0.000 2.370 54 D HA 0.093 4.734 4.640 0.001 0.000 0.230 54 D C 0.568 176.984 176.300 0.193 0.000 1.143 54 D CA 0.231 54.235 54.000 0.007 0.000 0.834 54 D CB 0.156 40.785 40.800 -0.285 0.000 0.944 54 D HN 0.471 nan 8.370 nan 0.000 0.504 55 T N -2.953 111.738 114.554 0.229 0.000 2.908 55 T HA 0.296 4.647 4.350 0.001 0.000 0.290 55 T C -0.200 174.628 174.700 0.214 0.000 1.034 55 T CA -0.918 61.336 62.100 0.258 0.000 1.010 55 T CB 2.140 71.189 68.868 0.301 0.000 1.068 55 T HN 0.074 nan 8.240 nan 0.000 0.481 56 H N 1.996 121.125 119.070 0.098 0.000 2.886 56 H HA 0.302 4.859 4.556 0.002 0.000 0.329 56 H C -0.090 175.281 175.328 0.072 0.000 1.044 56 H CA 0.068 56.153 56.048 0.062 0.000 1.456 56 H CB 0.370 30.156 29.762 0.041 0.000 1.464 56 H HN 0.542 nan 8.280 nan 0.000 0.573 57 N N 4.116 122.669 118.700 -0.245 0.000 2.437 57 N HA 0.109 4.849 4.740 0.001 0.000 0.259 57 N C -0.958 174.411 175.510 -0.236 0.000 0.983 57 N CA -0.561 52.395 53.050 -0.156 0.000 0.937 57 N CB 0.586 38.937 38.487 -0.227 0.000 1.122 57 N HN 0.659 nan 8.380 nan 0.000 0.499 58 R N 4.711 125.244 120.500 0.055 0.000 2.288 58 R HA 0.239 4.580 4.340 0.001 0.000 0.330 58 R C -0.592 175.796 176.300 0.147 0.000 1.069 58 R CA -0.226 55.944 56.100 0.117 0.000 0.941 58 R CB 0.131 30.537 30.300 0.177 0.000 0.998 58 R HN 0.505 nan 8.270 nan 0.000 0.452 59 L N 4.477 125.754 121.223 0.090 0.000 2.295 59 L HA 0.465 4.806 4.340 0.001 0.000 0.285 59 L C 0.068 177.024 176.870 0.143 0.000 1.035 59 L CA -0.651 54.267 54.840 0.131 0.000 0.806 59 L CB 1.522 43.618 42.059 0.062 0.000 1.214 59 L HN 0.580 nan 8.230 nan 0.000 0.426 60 E N 1.991 122.300 120.200 0.181 0.000 2.410 60 E HA 0.348 4.698 4.350 0.001 0.000 0.269 60 E C -1.083 175.606 176.600 0.148 0.000 0.937 60 E CA -1.011 55.495 56.400 0.177 0.000 0.793 60 E CB 2.099 31.953 29.700 0.257 0.000 1.314 60 E HN 0.343 nan 8.360 nan 0.000 0.447 61 K N 0.475 120.958 120.400 0.139 0.000 2.351 61 K HA 0.303 4.624 4.320 0.001 0.000 0.287 61 K C 0.706 177.379 176.600 0.123 0.000 1.068 61 K CA 0.817 57.177 56.287 0.121 0.000 0.998 61 K CB -0.050 32.521 32.500 0.118 0.000 0.968 61 K HN 0.815 nan 8.250 nan 0.000 0.464 62 G N 1.533 110.387 108.800 0.090 0.000 2.255 62 G HA2 -0.104 3.856 3.960 0.001 0.000 0.196 62 G HA3 -0.104 3.856 3.960 0.001 0.000 0.196 62 G C 0.356 175.278 174.900 0.035 0.000 0.998 62 G CA -0.425 44.709 45.100 0.056 0.000 0.656 62 G HN 1.046 nan 8.290 nan 0.000 0.490 63 G N -1.053 107.786 108.800 0.064 0.000 2.398 63 G HA2 0.698 4.659 3.960 0.001 0.000 0.251 63 G HA3 0.698 4.659 3.960 0.001 0.000 0.251 63 G C -0.972 174.007 174.900 0.130 0.000 1.277 63 G CA 0.350 45.454 45.100 0.006 0.000 0.927 63 G HN 1.851 nan 8.290 nan 0.000 0.477 64 Y N -2.256 118.081 120.300 0.061 0.000 2.670 64 Y HA 0.917 5.467 4.550 0.000 0.000 0.334 64 Y C -0.432 175.516 175.900 0.080 0.000 1.185 64 Y CA -1.443 56.704 58.100 0.079 0.000 1.053 64 Y CB 1.266 39.748 38.460 0.037 0.000 1.298 64 Y HN 1.923 nan 8.280 nan 0.000 0.459 65 A N 2.068 125.149 122.820 0.434 0.000 2.488 65 A HA 0.860 5.181 4.320 0.001 0.000 0.295 65 A C -1.356 176.427 177.584 0.332 0.000 1.045 65 A CA -1.023 51.224 52.037 0.349 0.000 0.703 65 A CB 1.604 20.814 19.000 0.349 0.000 1.271 65 A HN 1.067 nan 8.150 nan 0.000 0.400 66 R N 1.315 122.010 120.500 0.325 0.000 2.808 66 R HA 0.824 5.164 4.340 0.001 0.000 0.272 66 R C -1.058 175.539 176.300 0.495 0.000 0.995 66 R CA -0.765 55.550 56.100 0.358 0.000 0.917 66 R CB 1.902 32.404 30.300 0.336 0.000 1.217 66 R HN 0.794 nan 8.270 nan 0.000 0.471 67 E N 0.913 121.389 120.200 0.461 0.000 2.331 67 E HA 0.455 4.806 4.350 0.001 0.000 0.275 67 E C -1.434 175.283 176.600 0.195 0.000 0.895 67 E CA -1.176 55.484 56.400 0.432 0.000 0.753 67 E CB 2.601 32.477 29.700 0.293 0.000 1.216 67 E HN 0.264 nan 8.360 nan 0.000 0.434 68 V N 2.419 122.375 119.914 0.071 0.000 2.350 68 V HA 0.442 4.563 4.120 0.001 0.000 0.285 68 V C 0.094 176.194 176.094 0.010 0.000 1.014 68 V CA -0.051 62.168 62.300 -0.135 0.000 0.831 68 V CB 0.959 32.568 31.823 -0.357 0.000 1.000 68 V HN 0.938 nan 8.190 nan 0.000 0.433 69 T N 1.142 115.652 114.554 -0.073 0.000 2.773 69 T HA 0.391 4.742 4.350 0.001 0.000 0.278 69 T C 0.949 175.578 174.700 -0.118 0.000 1.011 69 T CA -0.063 62.018 62.100 -0.032 0.000 1.014 69 T CB 1.695 70.553 68.868 -0.015 0.000 1.293 69 T HN 0.108 nan 8.240 nan 0.000 0.554 70 V N 0.882 120.741 119.914 -0.092 0.000 2.720 70 V HA -0.060 4.061 4.120 0.001 0.000 0.256 70 V C 2.595 178.598 176.094 -0.150 0.000 1.082 70 V CA 1.713 63.938 62.300 -0.126 0.000 1.101 70 V CB -0.957 30.811 31.823 -0.092 0.000 0.693 70 V HN 0.798 nan 8.190 nan 0.000 0.479 71 R N -0.592 119.818 120.500 -0.149 0.000 2.189 71 R HA -0.067 4.274 4.340 0.001 0.000 0.218 71 R C 1.961 178.126 176.300 -0.225 0.000 1.074 71 R CA 1.324 57.333 56.100 -0.152 0.000 0.991 71 R CB 0.010 30.236 30.300 -0.124 0.000 0.883 71 R HN 0.493 nan 8.270 nan 0.000 0.457 72 E N -0.218 119.763 120.200 -0.365 0.000 2.206 72 E HA 0.070 4.420 4.350 0.001 0.000 0.195 72 E C -0.302 175.872 176.600 -0.709 0.000 0.935 72 E CA 0.424 56.378 56.400 -0.743 0.000 0.875 72 E CB 0.479 29.467 29.700 -1.186 0.000 0.841 72 E HN -0.056 nan 8.360 nan 0.000 0.477 73 L N 2.047 122.999 121.223 -0.452 0.000 2.462 73 L HA 0.360 4.701 4.340 0.001 0.000 0.255 73 L C -2.365 174.361 176.870 -0.240 0.000 1.076 73 L CA -1.737 52.930 54.840 -0.289 0.000 0.920 73 L CB 1.504 43.419 42.059 -0.241 0.000 1.214 73 L HN -0.131 nan 8.230 nan 0.000 0.472 74 P HA -0.112 nan 4.420 nan 0.000 0.223 74 P C 1.607 178.778 177.300 -0.214 0.000 1.151 74 P CA 0.665 63.662 63.100 -0.172 0.000 0.787 74 P CB 0.480 32.110 31.700 -0.117 0.000 0.788 75 I N 0.177 120.586 120.570 -0.269 0.000 2.423 75 I HA -0.112 4.059 4.170 0.001 0.000 0.254 75 I C 1.115 176.826 176.117 -0.677 0.000 1.151 75 I CA 1.182 62.260 61.300 -0.369 0.000 1.421 75 I CB -0.551 37.257 38.000 -0.320 0.000 1.079 75 I HN -0.173 nan 8.210 nan 0.000 0.431 76 S N 0.737 115.996 115.700 -0.734 0.000 3.729 76 S HA 0.147 4.618 4.470 0.001 0.000 0.235 76 S C 1.111 175.553 174.600 -0.264 0.000 1.367 76 S CA -0.390 57.383 58.200 -0.711 0.000 0.907 76 S CB -0.473 62.477 63.200 -0.417 0.000 1.471 76 S HN 0.401 nan 8.310 nan 0.000 0.476 77 E N 1.973 122.042 120.200 -0.218 0.000 2.299 77 E HA -0.067 4.284 4.350 0.001 0.000 0.193 77 E C 1.395 177.970 176.600 -0.042 0.000 0.998 77 E CA 0.453 56.787 56.400 -0.109 0.000 0.851 77 E CB 0.083 29.727 29.700 -0.093 0.000 0.795 77 E HN 0.769 nan 8.360 nan 0.000 0.492 78 N N 0.317 119.007 118.700 -0.017 0.000 2.282 78 N HA 0.031 4.771 4.740 0.001 0.000 0.185 78 N C 0.138 175.653 175.510 0.009 0.000 1.099 78 N CA 0.171 53.236 53.050 0.025 0.000 0.878 78 N CB 0.570 39.098 38.487 0.067 0.000 0.993 78 N HN 0.021 nan 8.380 nan 0.000 0.481 79 L N 0.300 121.518 121.223 -0.008 0.000 2.455 79 L HA 0.790 5.130 4.340 0.001 0.000 0.264 79 L C -0.970 175.825 176.870 -0.125 0.000 0.968 79 L CA -0.905 53.852 54.840 -0.139 0.000 0.827 79 L CB 2.253 44.140 42.059 -0.286 0.000 1.317 79 L HN 0.079 nan 8.230 nan 0.000 0.407 80 A N 1.632 124.376 122.820 -0.127 0.000 2.485 80 A HA 0.939 5.259 4.320 0.001 0.000 0.292 80 A C -1.100 176.501 177.584 0.030 0.000 1.147 80 A CA -0.575 51.481 52.037 0.032 0.000 0.750 80 A CB 2.268 21.367 19.000 0.166 0.000 1.331 80 A HN 0.504 nan 8.150 nan 0.000 0.419 81 S N -0.823 115.023 115.700 0.243 0.000 2.541 81 S HA 0.676 5.147 4.470 0.001 0.000 0.271 81 S C -1.735 173.205 174.600 0.567 0.000 1.133 81 S CA -0.367 58.036 58.200 0.338 0.000 0.876 81 S CB 1.581 65.035 63.200 0.422 0.000 1.105 81 S HN 1.184 nan 8.310 nan 0.000 0.470 82 V N 4.190 124.428 119.914 0.540 0.000 2.588 82 V HA 0.504 4.625 4.120 0.001 0.000 0.304 82 V C -0.110 176.095 176.094 0.184 0.000 1.042 82 V CA -0.937 61.656 62.300 0.488 0.000 0.877 82 V CB 1.727 33.875 31.823 0.543 0.000 0.996 82 V HN 0.907 nan 8.190 nan 0.000 0.425 83 N N 5.043 123.706 118.700 -0.062 0.000 2.439 83 N HA 0.555 5.295 4.740 0.001 0.000 0.249 83 N C -0.738 174.675 175.510 -0.161 0.000 1.003 83 N CA -0.436 52.399 53.050 -0.357 0.000 0.942 83 N CB 0.817 38.805 38.487 -0.831 0.000 1.115 83 N HN 0.737 nan 8.380 nan 0.000 0.505 84 M N 3.253 122.620 119.600 -0.388 0.000 2.456 84 M HA 0.425 4.906 4.480 0.001 0.000 0.324 84 M C -1.152 174.621 176.300 -0.879 0.000 1.124 84 M CA -0.833 54.158 55.300 -0.516 0.000 0.959 84 M CB 1.534 33.852 32.600 -0.469 0.000 1.692 84 M HN 0.499 nan 8.290 nan 0.000 0.444 85 R N 4.186 124.235 120.500 -0.751 0.000 2.561 85 R HA 0.771 5.112 4.340 0.001 0.000 0.297 85 R C -2.421 173.642 176.300 -0.394 0.000 0.969 85 R CA -0.325 55.335 56.100 -0.733 0.000 0.879 85 R CB 1.453 30.884 30.300 -1.448 0.000 1.178 85 R HN 0.813 nan 8.270 nan 0.000 0.445 86 L N 4.004 125.146 121.223 -0.136 0.000 2.385 86 L HA 0.553 4.894 4.340 0.001 0.000 0.273 86 L C -0.129 176.752 176.870 0.017 0.000 0.990 86 L CA -1.041 53.793 54.840 -0.010 0.000 0.821 86 L CB 2.308 44.437 42.059 0.116 0.000 1.279 86 L HN 0.592 nan 8.230 nan 0.000 0.412 87 K N 2.377 122.781 120.400 0.007 0.000 2.120 87 K HA 0.307 4.628 4.320 0.001 0.000 0.245 87 K C -2.384 174.235 176.600 0.033 0.000 1.024 87 K CA -1.564 54.741 56.287 0.029 0.000 0.906 87 K CB 0.196 32.711 32.500 0.025 0.000 1.051 87 K HN 0.236 nan 8.250 nan 0.000 0.491 88 P HA -0.077 nan 4.420 nan 0.000 0.261 88 P C 0.424 177.725 177.300 0.002 0.000 1.183 88 P CA 1.086 64.202 63.100 0.027 0.000 0.761 88 P CB 0.376 32.095 31.700 0.032 0.000 0.785 89 G N 2.344 111.135 108.800 -0.015 0.000 2.234 89 G HA2 -0.252 3.709 3.960 0.001 0.000 0.260 89 G HA3 -0.252 3.709 3.960 0.001 0.000 0.260 89 G C 0.501 175.349 174.900 -0.086 0.000 0.987 89 G CA 0.063 45.138 45.100 -0.042 0.000 0.625 89 G HN 0.852 nan 8.290 nan 0.000 0.532 90 A N -0.059 122.714 122.820 -0.077 0.000 2.407 90 A HA 0.685 5.006 4.320 0.001 0.000 0.248 90 A C 0.280 177.738 177.584 -0.209 0.000 1.082 90 A CA 0.300 52.253 52.037 -0.140 0.000 0.785 90 A CB 0.325 19.285 19.000 -0.067 0.000 1.020 90 A HN 0.824 nan 8.150 nan 0.000 0.489 91 I N 1.239 121.551 120.570 -0.431 0.000 2.406 91 I HA 0.337 4.507 4.170 0.001 0.000 0.290 91 I C 0.222 176.149 176.117 -0.318 0.000 0.999 91 I CA -0.729 60.287 61.300 -0.473 0.000 1.124 91 I CB 1.787 39.257 38.000 -0.883 0.000 1.289 91 I HN 0.691 nan 8.210 nan 0.000 0.441 92 R N 6.093 126.538 120.500 -0.092 0.000 2.210 92 R HA 0.130 4.470 4.340 0.001 0.000 0.338 92 R C -0.021 176.346 176.300 0.112 0.000 1.062 92 R CA -0.223 55.880 56.100 0.005 0.000 0.902 92 R CB 0.249 30.627 30.300 0.129 0.000 1.050 92 R HN 0.573 nan 8.270 nan 0.000 0.461 93 E N 4.119 124.433 120.200 0.190 0.000 2.502 93 E HA -0.096 4.255 4.350 0.001 0.000 0.261 93 E C -0.404 176.384 176.600 0.315 0.000 0.974 93 E CA -0.101 56.501 56.400 0.337 0.000 0.936 93 E CB 0.495 30.399 29.700 0.339 0.000 0.926 93 E HN 0.587 nan 8.360 nan 0.000 0.459 94 L N 6.283 127.636 121.223 0.216 0.000 2.747 94 L HA -0.118 4.222 4.340 0.001 0.000 0.286 94 L C 0.533 177.522 176.870 0.199 0.000 1.216 94 L CA 0.930 55.837 54.840 0.111 0.000 0.930 94 L CB -0.434 41.693 42.059 0.114 0.000 1.216 94 L HN 0.605 nan 8.230 nan 0.000 0.486 95 H N 2.295 121.358 119.070 -0.011 0.000 2.932 95 H HA 0.482 5.038 4.556 0.001 0.000 0.307 95 H C -1.553 173.737 175.328 -0.064 0.000 1.391 95 H CA -1.120 54.943 56.048 0.024 0.000 1.130 95 H CB 1.092 30.836 29.762 -0.030 0.000 1.836 95 H HN 0.596 nan 8.280 nan 0.000 0.522 96 W N 0.554 121.789 121.300 -0.108 0.000 3.042 96 W HA 0.652 5.313 4.660 0.001 0.000 0.342 96 W C -1.886 174.664 176.519 0.052 0.000 1.240 96 W CA -0.945 56.233 57.345 -0.278 0.000 1.166 96 W CB 0.891 30.220 29.460 -0.218 0.000 1.469 96 W HN 1.023 nan 8.180 nan 0.000 0.579 97 H N -1.829 117.530 119.070 0.480 0.000 2.981 97 H HA 0.465 5.022 4.556 0.001 0.000 0.327 97 H C 0.254 175.825 175.328 0.404 0.000 1.342 97 H CA -1.350 54.968 56.048 0.449 0.000 1.123 97 H CB 1.279 31.350 29.762 0.515 0.000 1.851 97 H HN 0.437 nan 8.280 nan 0.000 0.531 98 K N -0.254 120.461 120.400 0.524 0.000 2.097 98 K HA -0.060 4.261 4.320 0.001 0.000 0.206 98 K C -0.258 176.549 176.600 0.345 0.000 1.049 98 K CA 1.422 57.924 56.287 0.358 0.000 0.933 98 K CB -0.056 32.615 32.500 0.284 0.000 0.717 98 K HN 0.513 nan 8.250 nan 0.000 0.442 99 E N 0.488 120.931 120.200 0.404 0.000 2.366 99 E HA 0.202 4.553 4.350 0.001 0.000 0.266 99 E C -0.621 176.180 176.600 0.334 0.000 1.051 99 E CA -0.214 56.362 56.400 0.292 0.000 0.884 99 E CB 0.918 30.728 29.700 0.182 0.000 1.006 99 E HN 0.206 nan 8.360 nan 0.000 0.417 100 A N 2.517 125.433 122.820 0.161 0.000 2.386 100 A HA 0.227 4.548 4.320 0.001 0.000 0.248 100 A C -0.051 177.477 177.584 -0.094 0.000 1.082 100 A CA -0.152 51.879 52.037 -0.011 0.000 0.789 100 A CB 0.305 19.248 19.000 -0.095 0.000 1.025 100 A HN 0.661 nan 8.150 nan 0.000 0.490 101 E N 1.000 121.047 120.200 -0.254 0.000 2.199 101 E HA 0.445 4.796 4.350 0.001 0.000 0.265 101 E C -1.626 174.746 176.600 -0.381 0.000 0.882 101 E CA -0.509 55.679 56.400 -0.354 0.000 0.759 101 E CB 1.112 30.803 29.700 -0.015 0.000 1.148 101 E HN 0.687 nan 8.360 nan 0.000 0.412 102 W N 4.059 125.045 121.300 -0.523 0.000 2.689 102 W HA 0.720 5.381 4.660 0.002 0.000 0.340 102 W C -1.577 174.624 176.519 -0.530 0.000 1.060 102 W CA -0.431 56.710 57.345 -0.340 0.000 1.218 102 W CB 1.760 31.147 29.460 -0.122 0.000 1.410 102 W HN 0.602 nan 8.180 nan 0.000 0.528 103 A N 4.328 126.377 122.820 -1.287 0.000 2.475 103 A HA 0.636 4.957 4.320 0.001 0.000 0.301 103 A C -2.602 174.051 177.584 -1.551 0.000 1.059 103 A CA -0.590 50.587 52.037 -1.435 0.000 0.710 103 A CB 1.339 18.881 19.000 -2.429 0.000 1.288 103 A HN 0.757 nan 8.150 nan 0.000 0.408 104 Y N 1.744 121.451 120.300 -0.990 0.000 2.361 104 Y HA 0.610 5.160 4.550 0.001 0.000 0.337 104 Y C -0.403 175.306 175.900 -0.319 0.000 0.965 104 Y CA -1.005 56.733 58.100 -0.602 0.000 1.091 104 Y CB 1.947 40.289 38.460 -0.196 0.000 1.182 104 Y HN 0.682 nan 8.280 nan 0.000 0.450 105 M N 7.810 126.935 119.600 -0.792 0.000 2.135 105 M HA 0.331 4.811 4.480 0.001 0.000 0.345 105 M C -0.689 175.351 176.300 -0.434 0.000 1.340 105 M CA 0.594 55.631 55.300 -0.437 0.000 1.162 105 M CB -0.183 32.194 32.600 -0.373 0.000 1.570 105 M HN 0.824 nan 8.290 nan 0.000 0.454 106 I N 3.871 124.423 120.570 -0.031 0.000 2.400 106 I HA -0.003 4.168 4.170 0.001 0.000 0.248 106 I C -0.109 176.100 176.117 0.153 0.000 1.109 106 I CA 0.487 61.880 61.300 0.155 0.000 1.425 106 I CB 0.001 38.183 38.000 0.303 0.000 1.094 106 I HN 0.613 nan 8.210 nan 0.000 0.425 107 Y N 1.014 121.340 120.300 0.044 0.000 2.442 107 Y HA 0.577 5.128 4.550 0.001 0.000 0.344 107 Y C 0.295 176.220 175.900 0.041 0.000 0.976 107 Y CA -0.264 57.861 58.100 0.041 0.000 1.040 107 Y CB 1.192 39.684 38.460 0.053 0.000 1.228 107 Y HN 0.255 nan 8.280 nan 0.000 0.451 108 G N 2.906 111.106 108.800 -1.000 0.000 2.498 108 G HA2 0.184 4.145 3.960 0.001 0.000 0.245 108 G HA3 0.184 4.145 3.960 0.001 0.000 0.245 108 G C -0.713 174.005 174.900 -0.303 0.000 1.204 108 G CA -0.086 44.548 45.100 -0.777 0.000 0.933 108 G HN 1.868 nan 8.290 nan 0.000 0.574 109 S N -1.365 114.236 115.700 -0.164 0.000 2.567 109 S HA 0.979 5.450 4.470 0.001 0.000 0.270 109 S C -0.520 174.057 174.600 -0.038 0.000 1.152 109 S CA 0.489 58.632 58.200 -0.094 0.000 0.835 109 S CB 1.395 64.531 63.200 -0.106 0.000 1.115 109 S HN 2.733 nan 8.310 nan 0.000 0.459 110 A N 0.967 123.765 122.820 -0.036 0.000 2.604 110 A HA 0.850 5.171 4.320 0.001 0.000 0.295 110 A C -1.007 176.533 177.584 -0.073 0.000 1.067 110 A CA -0.877 51.133 52.037 -0.045 0.000 0.683 110 A CB 1.599 20.567 19.000 -0.054 0.000 1.281 110 A HN 1.016 nan 8.150 nan 0.000 0.407 111 R N 0.607 121.050 120.500 -0.096 0.000 2.346 111 R HA 0.641 4.981 4.340 0.001 0.000 0.311 111 R C -0.638 175.561 176.300 -0.168 0.000 0.983 111 R CA -0.318 55.713 56.100 -0.114 0.000 0.880 111 R CB 1.195 31.434 30.300 -0.101 0.000 1.100 111 R HN 1.067 nan 8.270 nan 0.000 0.453 112 V N 0.698 120.506 119.914 -0.177 0.000 2.667 112 V HA 0.738 4.858 4.120 0.001 0.000 0.308 112 V C -0.271 175.734 176.094 -0.149 0.000 1.048 112 V CA -0.609 61.557 62.300 -0.223 0.000 0.928 112 V CB 1.692 33.340 31.823 -0.292 0.000 1.004 112 V HN 0.930 nan 8.190 nan 0.000 0.444 113 T N 1.831 116.268 114.554 -0.195 0.000 2.908 113 T HA 0.835 5.186 4.350 0.001 0.000 0.290 113 T C -0.780 173.738 174.700 -0.303 0.000 1.034 113 T CA -0.604 61.394 62.100 -0.172 0.000 1.010 113 T CB 1.813 70.595 68.868 -0.144 0.000 1.068 113 T HN 1.266 nan 8.240 nan 0.000 0.481 114 I N 1.525 121.954 120.570 -0.235 0.000 2.775 114 I HA 0.643 4.814 4.170 0.001 0.000 0.295 114 I C -1.879 174.110 176.117 -0.214 0.000 1.287 114 I CA -1.040 60.024 61.300 -0.392 0.000 1.029 114 I CB 2.048 39.595 38.000 -0.756 0.000 1.282 114 I HN 0.644 nan 8.210 nan 0.000 0.426 115 V N 6.034 125.823 119.914 -0.207 0.000 2.540 115 V HA 0.401 4.522 4.120 0.001 0.000 0.302 115 V C -0.645 175.377 176.094 -0.120 0.000 1.035 115 V CA -0.542 61.692 62.300 -0.110 0.000 0.873 115 V CB 1.795 33.569 31.823 -0.082 0.000 0.992 115 V HN 0.841 nan 8.190 nan 0.000 0.428 116 D N 3.431 123.805 120.400 -0.044 0.000 2.506 116 D HA 0.127 4.768 4.640 0.001 0.000 0.272 116 D C 1.052 177.340 176.300 -0.019 0.000 1.214 116 D CA -0.504 53.487 54.000 -0.015 0.000 1.067 116 D CB 0.590 41.452 40.800 0.102 0.000 1.117 116 D HN 0.562 nan 8.370 nan 0.000 0.578 117 E N -0.289 119.908 120.200 -0.005 0.000 2.516 117 E HA -0.138 4.213 4.350 0.001 0.000 0.199 117 E C 0.372 176.968 176.600 -0.006 0.000 1.069 117 E CA 0.604 56.991 56.400 -0.021 0.000 0.876 117 E CB -0.208 29.484 29.700 -0.014 0.000 0.843 117 E HN 0.411 nan 8.360 nan 0.000 0.530 118 K N 0.284 120.692 120.400 0.014 0.000 2.372 118 K HA 0.164 4.485 4.320 0.001 0.000 0.200 118 K C 0.776 177.383 176.600 0.012 0.000 1.022 118 K CA 0.403 56.699 56.287 0.015 0.000 1.125 118 K CB 0.816 33.334 32.500 0.030 0.000 0.855 118 K HN 0.270 nan 8.250 nan 0.000 0.524 119 G N 2.643 111.445 108.800 0.003 0.000 2.160 119 G HA2 -0.308 3.652 3.960 0.001 0.000 0.251 119 G HA3 -0.308 3.652 3.960 0.001 0.000 0.251 119 G C -0.263 174.648 174.900 0.018 0.000 1.008 119 G CA 0.049 45.149 45.100 0.001 0.000 0.724 119 G HN 0.302 nan 8.290 nan 0.000 0.514 120 R N 0.435 120.959 120.500 0.041 0.000 2.368 120 R HA 0.586 4.926 4.340 0.001 0.000 0.302 120 R C 0.489 176.842 176.300 0.089 0.000 1.002 120 R CA 0.229 56.371 56.100 0.070 0.000 0.929 120 R CB 1.459 31.817 30.300 0.096 0.000 1.073 120 R HN 0.451 nan 8.270 nan 0.000 0.464 121 S N 2.464 118.219 115.700 0.091 0.000 2.537 121 S HA 0.591 5.062 4.470 0.001 0.000 0.301 121 S C -0.812 173.908 174.600 0.201 0.000 1.092 121 S CA -0.763 57.495 58.200 0.096 0.000 1.048 121 S CB 1.284 64.501 63.200 0.028 0.000 1.053 121 S HN 0.543 nan 8.310 nan 0.000 0.501 122 F N 2.167 122.142 119.950 0.042 0.000 2.539 122 F HA 0.729 5.257 4.527 0.002 0.000 0.318 122 F C -1.491 174.327 175.800 0.030 0.000 1.135 122 F CA -0.944 57.119 58.000 0.105 0.000 0.915 122 F CB 1.102 40.289 39.000 0.311 0.000 1.176 122 F HN 0.627 nan 8.300 nan 0.000 0.440 123 I N 5.402 125.665 120.570 -0.511 0.000 2.499 123 I HA 0.429 4.600 4.170 0.001 0.000 0.288 123 I C -1.530 174.244 176.117 -0.571 0.000 1.048 123 I CA -0.551 60.520 61.300 -0.383 0.000 1.062 123 I CB 2.120 39.992 38.000 -0.213 0.000 1.238 123 I HN 0.529 nan 8.210 nan 0.000 0.426 124 D N 3.608 123.779 120.400 -0.381 0.000 2.654 124 D HA 0.352 4.992 4.640 0.001 0.000 0.231 124 D C -1.737 174.494 176.300 -0.114 0.000 1.239 124 D CA -0.364 53.467 54.000 -0.282 0.000 0.790 124 D CB 2.334 42.977 40.800 -0.262 0.000 1.480 124 D HN 0.258 nan 8.370 nan 0.000 0.442 125 D N 0.307 120.657 120.400 -0.083 0.000 2.175 125 D HA 0.501 5.142 4.640 0.001 0.000 0.248 125 D C -0.539 175.748 176.300 -0.022 0.000 1.047 125 D CA -0.220 53.746 54.000 -0.056 0.000 0.883 125 D CB 1.916 42.677 40.800 -0.066 0.000 1.180 125 D HN 0.006 nan 8.370 nan 0.000 0.438 126 V N 1.376 121.282 119.914 -0.014 0.000 2.483 126 V HA 0.698 4.819 4.120 0.001 0.000 0.297 126 V C 0.691 176.747 176.094 -0.063 0.000 1.027 126 V CA -0.657 61.642 62.300 -0.002 0.000 0.855 126 V CB 1.778 33.674 31.823 0.122 0.000 0.995 126 V HN 0.615 nan 8.190 nan 0.000 0.424 127 G N 2.732 111.467 108.800 -0.109 0.000 2.820 127 G HA2 0.581 4.541 3.960 0.001 0.000 0.291 127 G HA3 0.581 4.541 3.960 0.001 0.000 0.291 127 G C -0.542 174.237 174.900 -0.202 0.000 1.323 127 G CA -0.700 44.315 45.100 -0.143 0.000 1.055 127 G HN 0.662 nan 8.290 nan 0.000 0.520 128 E N -0.441 119.638 120.200 -0.202 0.000 2.480 128 E HA 0.326 4.676 4.350 0.001 0.000 0.258 128 E C 1.122 177.557 176.600 -0.275 0.000 0.984 128 E CA 1.258 57.518 56.400 -0.233 0.000 0.930 128 E CB 0.500 30.109 29.700 -0.151 0.000 0.936 128 E HN 1.032 nan 8.360 nan 0.000 0.466 129 G N 3.234 111.751 108.800 -0.472 0.000 2.176 129 G HA2 -0.215 3.745 3.960 0.001 0.000 0.253 129 G HA3 -0.215 3.745 3.960 0.001 0.000 0.253 129 G C -0.166 174.505 174.900 -0.382 0.000 0.979 129 G CA -0.001 44.844 45.100 -0.424 0.000 0.641 129 G HN 0.549 nan 8.290 nan 0.000 0.530 130 D N 0.215 120.369 120.400 -0.410 0.000 2.294 130 D HA 0.690 5.330 4.640 0.001 0.000 0.250 130 D C 0.940 176.992 176.300 -0.413 0.000 1.058 130 D CA -0.113 53.698 54.000 -0.314 0.000 0.950 130 D CB 1.241 41.911 40.800 -0.217 0.000 1.158 130 D HN 0.315 nan 8.370 nan 0.000 0.453 131 L N 0.213 121.235 121.223 -0.335 0.000 2.319 131 L HA 0.673 5.014 4.340 0.001 0.000 0.267 131 L C -0.716 176.008 176.870 -0.243 0.000 1.011 131 L CA -1.179 53.373 54.840 -0.481 0.000 0.818 131 L CB 1.282 43.097 42.059 -0.405 0.000 1.316 131 L HN 0.509 nan 8.230 nan 0.000 0.432 132 W N 0.806 121.873 121.300 -0.388 0.000 2.902 132 W HA 0.713 5.373 4.660 0.000 0.000 0.346 132 W C -1.850 174.539 176.519 -0.217 0.000 1.139 132 W CA -1.460 55.754 57.345 -0.217 0.000 1.139 132 W CB 0.653 29.857 29.460 -0.426 0.000 1.439 132 W HN 0.340 nan 8.180 nan 0.000 0.558 133 Y N 2.449 122.823 120.300 0.123 0.000 2.362 133 Y HA 0.566 5.116 4.550 0.000 0.000 0.326 133 Y C -2.051 173.916 175.900 0.112 0.000 1.083 133 Y CA -1.954 56.123 58.100 -0.040 0.000 1.073 133 Y CB 1.043 39.406 38.460 -0.162 0.000 1.211 133 Y HN 0.350 nan 8.280 nan 0.000 0.433 134 F N 7.481 127.294 119.950 -0.229 0.000 2.375 134 F HA 0.534 5.061 4.527 0.000 0.000 0.361 134 F C -2.269 173.298 175.800 -0.389 0.000 1.117 134 F CA -3.494 54.331 58.000 -0.291 0.000 1.037 134 F CB 1.044 39.736 39.000 -0.514 0.000 1.192 134 F HN 0.353 nan 8.300 nan 0.000 0.452 135 P HA 0.029 nan 4.420 nan 0.000 0.268 135 P C -0.324 177.039 177.300 0.104 0.000 1.208 135 P CA -0.195 62.983 63.100 0.130 0.000 0.777 135 P CB 0.377 32.246 31.700 0.283 0.000 0.875 136 S N 0.972 116.751 115.700 0.132 0.000 2.593 136 S HA 0.213 4.684 4.470 0.001 0.000 0.300 136 S C 1.493 176.187 174.600 0.157 0.000 1.267 136 S CA 0.260 58.567 58.200 0.178 0.000 1.065 136 S CB -0.995 62.304 63.200 0.164 0.000 0.807 136 S HN 1.031 nan 8.310 nan 0.000 0.499 137 G N 1.894 110.819 108.800 0.208 0.000 2.184 137 G HA2 -0.252 3.708 3.960 0.001 0.000 0.264 137 G HA3 -0.252 3.708 3.960 0.001 0.000 0.264 137 G C -0.034 174.892 174.900 0.043 0.000 0.975 137 G CA 0.322 45.518 45.100 0.159 0.000 0.642 137 G HN 0.746 nan 8.290 nan 0.000 0.536 138 L N 2.416 123.662 121.223 0.039 0.000 2.292 138 L HA 0.434 4.775 4.340 0.001 0.000 0.284 138 L C -1.626 175.217 176.870 -0.045 0.000 1.065 138 L CA -2.108 52.691 54.840 -0.067 0.000 0.806 138 L CB 1.344 43.333 42.059 -0.116 0.000 1.175 138 L HN -0.025 nan 8.230 nan 0.000 0.431 139 P HA 0.256 nan 4.420 nan 0.000 0.282 139 P C -1.354 175.758 177.300 -0.313 0.000 1.249 139 P CA 0.026 63.011 63.100 -0.193 0.000 0.806 139 P CB 1.145 32.736 31.700 -0.181 0.000 0.984 140 H N -0.843 117.928 119.070 -0.499 0.000 2.981 140 H HA 0.656 5.212 4.556 0.000 0.000 0.327 140 H C -1.387 173.638 175.328 -0.504 0.000 1.342 140 H CA -0.944 54.692 56.048 -0.687 0.000 1.123 140 H CB 1.069 30.037 29.762 -1.324 0.000 1.851 140 H HN 0.512 nan 8.280 nan 0.000 0.531 141 S N 0.464 115.989 115.700 -0.292 0.000 2.579 141 S HA 0.740 5.210 4.470 0.001 0.000 0.272 141 S C -1.166 173.356 174.600 -0.130 0.000 1.141 141 S CA -0.883 57.234 58.200 -0.139 0.000 0.843 141 S CB 1.849 64.993 63.200 -0.094 0.000 1.122 141 S HN 0.598 nan 8.310 nan 0.000 0.468 142 I N 0.929 121.466 120.570 -0.055 0.000 2.582 142 I HA 0.560 4.731 4.170 0.001 0.000 0.292 142 I C -0.787 175.287 176.117 -0.073 0.000 1.066 142 I CA -0.435 60.796 61.300 -0.116 0.000 1.053 142 I CB 2.291 40.264 38.000 -0.044 0.000 1.241 142 I HN 0.772 nan 8.210 nan 0.000 0.421 143 Q N 4.395 124.139 119.800 -0.095 0.000 2.275 143 Q HA 0.705 5.046 4.340 0.001 0.000 0.266 143 Q C -1.219 174.751 176.000 -0.049 0.000 1.002 143 Q CA -0.646 55.107 55.803 -0.083 0.000 0.761 143 Q CB 2.220 30.895 28.738 -0.104 0.000 1.255 143 Q HN 0.847 nan 8.270 nan 0.000 0.446 144 A N 4.353 127.168 122.820 -0.009 0.000 2.407 144 A HA 0.435 4.756 4.320 0.001 0.000 0.248 144 A C -0.188 177.390 177.584 -0.010 0.000 1.082 144 A CA -0.245 51.805 52.037 0.022 0.000 0.785 144 A CB 0.314 19.357 19.000 0.071 0.000 1.020 144 A HN 0.845 nan 8.150 nan 0.000 0.489 145 L N 0.586 121.801 121.223 -0.013 0.000 2.985 145 L HA 0.265 4.605 4.340 0.001 0.000 0.201 145 L C 2.140 179.004 176.870 -0.010 0.000 1.291 145 L CA -0.541 54.284 54.840 -0.024 0.000 1.141 145 L CB -0.092 41.943 42.059 -0.040 0.000 2.131 145 L HN 0.950 nan 8.230 nan 0.000 0.538 146 E N 0.055 120.247 120.200 -0.015 0.000 2.268 146 E HA -0.198 4.153 4.350 0.001 0.000 0.195 146 E C 1.100 177.712 176.600 0.018 0.000 0.995 146 E CA 1.263 57.663 56.400 0.000 0.000 0.836 146 E CB -0.188 29.509 29.700 -0.005 0.000 0.763 146 E HN 0.483 nan 8.360 nan 0.000 0.491 147 E N 1.068 121.271 120.200 0.004 0.000 2.478 147 E HA 0.148 4.499 4.350 0.001 0.000 0.194 147 E C 1.043 177.733 176.600 0.150 0.000 1.045 147 E CA 0.683 57.107 56.400 0.040 0.000 0.868 147 E CB 0.149 29.788 29.700 -0.102 0.000 0.885 147 E HN 0.411 nan 8.360 nan 0.000 0.505 148 G N 1.116 109.982 108.800 0.109 0.000 2.698 148 G HA2 -0.025 3.936 3.960 0.001 0.000 0.233 148 G HA3 -0.025 3.936 3.960 0.001 0.000 0.233 148 G C -0.410 174.599 174.900 0.182 0.000 1.352 148 G CA -0.254 44.942 45.100 0.161 0.000 0.879 148 G HN 0.607 nan 8.290 nan 0.000 0.567 149 A N -0.650 122.333 122.820 0.271 0.000 2.577 149 A HA 0.830 5.151 4.320 0.001 0.000 0.297 149 A C -0.639 177.156 177.584 0.352 0.000 1.060 149 A CA 0.813 53.047 52.037 0.329 0.000 0.697 149 A CB 1.860 21.066 19.000 0.343 0.000 1.281 149 A HN 1.506 nan 8.150 nan 0.000 0.402 150 E N 0.856 121.287 120.200 0.384 0.000 2.290 150 E HA 0.722 5.073 4.350 0.001 0.000 0.274 150 E C -1.577 175.114 176.600 0.151 0.000 0.889 150 E CA -0.511 55.929 56.400 0.067 0.000 0.760 150 E CB 1.374 31.088 29.700 0.024 0.000 1.206 150 E HN 0.857 nan 8.360 nan 0.000 0.419 151 F N 1.864 121.810 119.950 -0.007 0.000 2.662 151 F HA 0.598 5.125 4.527 0.000 0.000 0.312 151 F C -1.932 173.809 175.800 -0.098 0.000 1.113 151 F CA -1.332 56.624 58.000 -0.073 0.000 0.951 151 F CB 0.827 39.732 39.000 -0.158 0.000 1.344 151 F HN 0.301 nan 8.300 nan 0.000 0.462 152 L N 2.869 124.132 121.223 0.067 0.000 2.296 152 L HA 0.696 5.036 4.340 0.001 0.000 0.286 152 L C -1.358 175.526 176.870 0.023 0.000 1.023 152 L CA -0.440 54.385 54.840 -0.025 0.000 0.812 152 L CB 1.331 43.359 42.059 -0.052 0.000 1.223 152 L HN 0.688 nan 8.230 nan 0.000 0.421 153 L N 5.580 126.825 121.223 0.037 0.000 2.325 153 L HA 0.717 5.057 4.340 0.001 0.000 0.278 153 L C -0.884 175.839 176.870 -0.244 0.000 1.023 153 L CA -0.982 53.787 54.840 -0.118 0.000 0.811 153 L CB 1.941 44.010 42.059 0.017 0.000 1.249 153 L HN 0.290 nan 8.230 nan 0.000 0.431 154 V N 2.405 122.036 119.914 -0.472 0.000 2.588 154 V HA 0.486 4.607 4.120 0.001 0.000 0.304 154 V C -0.781 174.815 176.094 -0.831 0.000 1.042 154 V CA -0.485 61.480 62.300 -0.558 0.000 0.877 154 V CB 1.800 33.341 31.823 -0.471 0.000 0.996 154 V HN 0.387 nan 8.190 nan 0.000 0.425 155 F N 2.363 122.088 119.950 -0.375 0.000 2.508 155 F HA 0.445 4.972 4.527 0.001 0.000 0.325 155 F C 0.683 176.314 175.800 -0.281 0.000 1.090 155 F CA -0.994 56.754 58.000 -0.419 0.000 0.945 155 F CB 1.686 40.178 39.000 -0.848 0.000 1.156 155 F HN 0.663 nan 8.300 nan 0.000 0.463 156 D N 0.043 120.429 120.400 -0.023 0.000 2.676 156 D HA 0.047 4.688 4.640 0.001 0.000 0.239 156 D C -0.672 175.652 176.300 0.040 0.000 1.213 156 D CA 0.168 54.163 54.000 -0.008 0.000 0.835 156 D CB -0.247 40.563 40.800 0.018 0.000 1.009 156 D HN 0.331 nan 8.370 nan 0.000 0.479 157 D N -1.088 119.347 120.400 0.058 0.000 2.970 157 D HA 0.297 4.938 4.640 0.001 0.000 0.230 157 D C 1.195 177.541 176.300 0.077 0.000 1.276 157 D CA -0.725 53.318 54.000 0.073 0.000 0.910 157 D CB 1.831 42.696 40.800 0.107 0.000 1.590 157 D HN 0.036 nan 8.370 nan 0.000 0.551 158 G N 1.421 110.244 108.800 0.038 0.000 2.509 158 G HA2 -0.143 3.818 3.960 0.001 0.000 0.218 158 G HA3 -0.143 3.818 3.960 0.001 0.000 0.218 158 G C 1.088 176.007 174.900 0.032 0.000 1.124 158 G CA 0.412 45.526 45.100 0.023 0.000 0.776 158 G HN 0.431 nan 8.290 nan 0.000 0.547 159 S N -0.149 115.574 115.700 0.038 0.000 2.603 159 S HA 0.208 4.679 4.470 0.001 0.000 0.220 159 S C 0.564 175.173 174.600 0.015 0.000 0.967 159 S CA -0.788 57.418 58.200 0.010 0.000 0.920 159 S CB -0.162 63.035 63.200 -0.005 0.000 0.773 159 S HN 0.370 nan 8.310 nan 0.000 0.529 160 F N 2.873 122.764 119.950 -0.097 0.000 2.628 160 F HA 0.217 4.743 4.527 -0.002 0.000 0.362 160 F C 0.532 176.219 175.800 -0.188 0.000 1.148 160 F CA 0.295 58.189 58.000 -0.177 0.000 1.352 160 F CB 0.439 39.283 39.000 -0.260 0.000 1.081 160 F HN -0.067 nan 8.300 nan 0.000 0.605 161 S N 3.471 118.527 115.700 -1.074 0.000 2.538 161 S HA 0.239 4.710 4.470 0.001 0.000 0.288 161 S C 0.392 174.246 174.600 -1.242 0.000 1.108 161 S CA -0.671 57.021 58.200 -0.847 0.000 0.971 161 S CB 1.546 64.477 63.200 -0.448 0.000 1.041 161 S HN 0.770 nan 8.310 nan 0.000 0.483 162 E N 3.009 122.850 120.200 -0.598 0.000 2.333 162 E HA -0.042 4.308 4.350 0.001 0.000 0.198 162 E C 1.018 177.525 176.600 -0.154 0.000 1.007 162 E CA 1.432 57.710 56.400 -0.204 0.000 0.845 162 E CB 0.002 29.832 29.700 0.217 0.000 0.766 162 E HN 0.591 nan 8.360 nan 0.000 0.507 163 N N -0.757 117.784 118.700 -0.265 0.000 2.467 163 N HA 0.006 4.747 4.740 0.001 0.000 0.184 163 N C 0.208 175.535 175.510 -0.305 0.000 1.106 163 N CA 0.528 53.414 53.050 -0.273 0.000 0.892 163 N CB 0.432 38.760 38.487 -0.264 0.000 0.969 163 N HN -0.038 nan 8.380 nan 0.000 0.454 164 S N -0.319 115.138 115.700 -0.405 0.000 2.601 164 S HA 0.060 4.531 4.470 0.001 0.000 0.244 164 S C 0.660 174.965 174.600 -0.492 0.000 1.001 164 S CA -0.534 57.399 58.200 -0.446 0.000 0.984 164 S CB 0.348 63.272 63.200 -0.461 0.000 0.842 164 S HN 0.367 nan 8.310 nan 0.000 0.474 165 T N 0.015 114.369 114.554 -0.334 0.000 2.813 165 T HA 0.476 4.826 4.350 0.001 0.000 0.297 165 T C -0.178 174.265 174.700 -0.429 0.000 1.036 165 T CA -0.308 61.674 62.100 -0.196 0.000 1.044 165 T CB 0.027 68.923 68.868 0.047 0.000 0.993 165 T HN 0.093 nan 8.240 nan 0.000 0.535 166 F N 1.530 121.163 119.950 -0.529 0.000 2.421 166 F HA 0.363 4.890 4.527 -0.001 0.000 0.358 166 F C 1.049 176.438 175.800 -0.685 0.000 1.115 166 F CA -0.511 56.927 58.000 -0.938 0.000 1.160 166 F CB 0.783 38.456 39.000 -2.212 0.000 1.123 166 F HN 0.513 nan 8.300 nan 0.000 0.508 167 Q N 2.702 122.432 119.800 -0.118 0.000 2.309 167 Q HA 0.277 4.617 4.340 0.001 0.000 0.264 167 Q C 0.840 177.026 176.000 0.311 0.000 1.008 167 Q CA -0.902 54.984 55.803 0.139 0.000 0.853 167 Q CB 2.504 31.325 28.738 0.138 0.000 1.314 167 Q HN 0.684 nan 8.270 nan 0.000 0.448 168 L N 2.465 123.927 121.223 0.398 0.000 1.997 168 L HA -0.267 4.073 4.340 0.001 0.000 0.216 168 L C 2.112 179.177 176.870 0.325 0.000 1.074 168 L CA 3.025 58.129 54.840 0.440 0.000 0.763 168 L CB -0.917 41.321 42.059 0.299 0.000 0.890 168 L HN 0.974 nan 8.230 nan 0.000 0.434 169 T N -4.381 110.293 114.554 0.201 0.000 2.951 169 T HA -0.135 4.216 4.350 0.001 0.000 0.268 169 T C 1.728 176.515 174.700 0.145 0.000 1.073 169 T CA 0.980 63.149 62.100 0.116 0.000 1.134 169 T CB -0.588 68.297 68.868 0.028 0.000 0.884 169 T HN 0.423 nan 8.240 nan 0.000 0.479 170 D N 0.133 120.656 120.400 0.206 0.000 2.117 170 D HA -0.096 4.545 4.640 0.001 0.000 0.198 170 D C 1.593 178.139 176.300 0.410 0.000 0.982 170 D CA 0.755 54.910 54.000 0.258 0.000 0.828 170 D CB -0.489 40.430 40.800 0.198 0.000 0.967 170 D HN 0.434 nan 8.370 nan 0.000 0.464 171 W N 1.370 122.799 121.300 0.214 0.000 2.317 171 W HA -0.149 4.514 4.660 0.004 0.000 0.318 171 W C 2.052 178.687 176.519 0.194 0.000 1.227 171 W CA 1.247 58.746 57.345 0.258 0.000 1.269 171 W CB -0.994 28.680 29.460 0.356 0.000 1.155 171 W HN 0.060 nan 8.180 nan 0.000 0.484 172 L N 0.509 121.857 121.223 0.209 0.000 2.093 172 L HA -0.151 4.190 4.340 0.001 0.000 0.208 172 L C 2.623 179.489 176.870 -0.007 0.000 1.085 172 L CA 1.394 56.232 54.840 -0.004 0.000 0.755 172 L CB -1.334 40.709 42.059 -0.026 0.000 0.904 172 L HN 0.009 nan 8.230 nan 0.000 0.435 173 A N -0.927 121.874 122.820 -0.032 0.000 2.121 173 A HA -0.172 4.148 4.320 0.001 0.000 0.218 173 A C 1.289 178.622 177.584 -0.418 0.000 1.154 173 A CA 1.193 53.092 52.037 -0.230 0.000 0.679 173 A CB -0.709 18.106 19.000 -0.308 0.000 0.795 173 A HN 0.541 nan 8.150 nan 0.000 0.458 174 H N -1.028 118.113 119.070 0.118 0.000 2.469 174 H HA 0.268 4.825 4.556 0.002 0.000 0.286 174 H C -0.626 174.790 175.328 0.145 0.000 1.106 174 H CA 0.143 56.267 56.048 0.127 0.000 1.055 174 H CB 0.543 30.391 29.762 0.143 0.000 1.618 174 H HN 0.215 nan 8.280 nan 0.000 0.559 175 T N 1.761 116.403 114.554 0.147 0.000 2.829 175 T HA 0.273 4.624 4.350 0.001 0.000 0.280 175 T C -2.496 172.228 174.700 0.041 0.000 0.999 175 T CA -1.716 60.441 62.100 0.096 0.000 0.983 175 T CB 1.914 70.778 68.868 -0.005 0.000 0.968 175 T HN -0.025 nan 8.240 nan 0.000 0.446 176 P HA 0.136 nan 4.420 nan 0.000 0.265 176 P C 0.892 178.195 177.300 0.005 0.000 1.193 176 P CA -0.336 62.778 63.100 0.023 0.000 0.765 176 P CB 0.633 32.349 31.700 0.026 0.000 0.823 177 K N 2.928 123.328 120.400 -0.000 0.000 2.097 177 K HA -0.180 4.141 4.320 0.001 0.000 0.206 177 K C 1.647 178.248 176.600 0.001 0.000 1.049 177 K CA 1.658 57.942 56.287 -0.005 0.000 0.933 177 K CB -0.177 32.318 32.500 -0.008 0.000 0.717 177 K HN 0.678 nan 8.250 nan 0.000 0.442 178 E N 0.493 120.694 120.200 0.002 0.000 2.150 178 E HA -0.106 4.245 4.350 0.001 0.000 0.193 178 E C 1.891 178.490 176.600 -0.003 0.000 0.985 178 E CA 0.969 57.370 56.400 0.001 0.000 0.814 178 E CB -0.286 29.415 29.700 0.002 0.000 0.752 178 E HN -0.067 nan 8.360 nan 0.000 0.466 179 V N 1.747 121.657 119.914 -0.007 0.000 2.379 179 V HA -0.199 3.922 4.120 0.001 0.000 0.245 179 V C 2.434 178.503 176.094 -0.042 0.000 1.044 179 V CA 1.377 63.663 62.300 -0.024 0.000 1.036 179 V CB -0.391 31.422 31.823 -0.016 0.000 0.664 179 V HN 0.265 nan 8.190 nan 0.000 0.453 180 I N 0.725 121.283 120.570 -0.019 0.000 2.163 180 I HA -0.267 3.904 4.170 0.001 0.000 0.243 180 I C 2.699 178.883 176.117 0.111 0.000 1.085 180 I CA 1.641 62.962 61.300 0.035 0.000 1.347 180 I CB -0.654 37.378 38.000 0.053 0.000 1.044 180 I HN 0.295 nan 8.210 nan 0.000 0.408 181 A N 0.801 123.659 122.820 0.063 0.000 1.902 181 A HA -0.160 4.160 4.320 0.001 0.000 0.217 181 A C 2.555 180.165 177.584 0.044 0.000 1.181 181 A CA 1.921 53.997 52.037 0.066 0.000 0.623 181 A CB -0.865 18.152 19.000 0.028 0.000 0.818 181 A HN 0.440 nan 8.150 nan 0.000 0.443 182 A N 0.028 122.848 122.820 -0.000 0.000 1.933 182 A HA -0.210 4.111 4.320 0.001 0.000 0.218 182 A C 1.941 179.478 177.584 -0.078 0.000 1.175 182 A CA 2.060 54.080 52.037 -0.029 0.000 0.628 182 A CB -0.776 18.203 19.000 -0.035 0.000 0.814 182 A HN 0.626 nan 8.150 nan 0.000 0.444 183 N N -1.495 117.116 118.700 -0.149 0.000 2.166 183 N HA -0.113 4.628 4.740 0.001 0.000 0.186 183 N C 0.908 176.145 175.510 -0.455 0.000 1.019 183 N CA 1.736 54.567 53.050 -0.365 0.000 0.856 183 N CB -0.248 37.876 38.487 -0.606 0.000 0.993 183 N HN 0.409 nan 8.380 nan 0.000 0.426 184 F N -1.206 118.706 119.950 -0.063 0.000 2.704 184 F HA 0.391 4.919 4.527 0.001 0.000 0.304 184 F C 1.567 177.341 175.800 -0.042 0.000 1.094 184 F CA 0.343 58.309 58.000 -0.056 0.000 1.275 184 F CB 0.315 39.276 39.000 -0.065 0.000 1.073 184 F HN 0.037 nan 8.300 nan 0.000 0.586 185 G N 1.682 110.539 108.800 0.096 0.000 2.225 185 G HA2 -0.142 3.818 3.960 0.001 0.000 0.264 185 G HA3 -0.142 3.818 3.960 0.001 0.000 0.264 185 G C -0.081 174.853 174.900 0.057 0.000 1.060 185 G CA 0.271 45.404 45.100 0.054 0.000 0.833 185 G HN 0.526 nan 8.290 nan 0.000 0.498 186 V N -3.269 116.686 119.914 0.069 0.000 3.158 186 V HA 0.987 5.107 4.120 0.001 0.000 0.315 186 V C 0.661 176.770 176.094 0.024 0.000 1.148 186 V CA -0.069 62.253 62.300 0.038 0.000 1.042 186 V CB 1.583 33.421 31.823 0.026 0.000 1.101 186 V HN 1.154 nan 8.190 nan 0.000 0.448 187 T N -1.489 113.070 114.554 0.008 0.000 2.874 187 T HA 0.424 4.775 4.350 0.001 0.000 0.281 187 T C 0.714 175.414 174.700 -0.000 0.000 0.994 187 T CA -0.166 61.936 62.100 0.003 0.000 1.015 187 T CB 1.223 70.089 68.868 -0.003 0.000 1.028 187 T HN 0.758 nan 8.240 nan 0.000 0.523 188 K N 0.269 120.668 120.400 -0.001 0.000 2.097 188 K HA -0.110 4.210 4.320 0.001 0.000 0.206 188 K C 2.186 178.778 176.600 -0.013 0.000 1.049 188 K CA 1.529 57.812 56.287 -0.006 0.000 0.933 188 K CB -0.119 32.378 32.500 -0.005 0.000 0.717 188 K HN 0.635 nan 8.250 nan 0.000 0.442 189 E N 0.769 120.961 120.200 -0.013 0.000 2.150 189 E HA -0.157 4.194 4.350 0.001 0.000 0.193 189 E C 1.447 178.034 176.600 -0.022 0.000 0.985 189 E CA 1.105 57.496 56.400 -0.016 0.000 0.814 189 E CB 0.030 29.722 29.700 -0.013 0.000 0.752 189 E HN 0.315 nan 8.360 nan 0.000 0.466 190 E N -0.022 120.164 120.200 -0.024 0.000 2.347 190 E HA -0.073 4.277 4.350 0.001 0.000 0.196 190 E C 1.358 177.929 176.600 -0.048 0.000 1.008 190 E CA 0.803 57.182 56.400 -0.034 0.000 0.852 190 E CB -0.041 29.640 29.700 -0.033 0.000 0.783 190 E HN 0.480 nan 8.360 nan 0.000 0.505 191 I N -2.264 118.279 120.570 -0.045 0.000 3.927 191 I HA 0.181 4.351 4.170 0.001 0.000 0.332 191 I C 1.587 177.675 176.117 -0.048 0.000 1.485 191 I CA -0.168 61.097 61.300 -0.058 0.000 1.131 191 I CB 0.535 38.500 38.000 -0.058 0.000 1.092 191 I HN -0.133 nan 8.210 nan 0.000 0.410 192 S N 0.591 116.267 115.700 -0.039 0.000 2.442 192 S HA -0.138 4.333 4.470 0.001 0.000 0.236 192 S C 1.539 176.116 174.600 -0.039 0.000 1.007 192 S CA 1.405 59.585 58.200 -0.034 0.000 0.965 192 S CB -0.654 62.530 63.200 -0.027 0.000 0.773 192 S HN 0.589 nan 8.310 nan 0.000 0.504 193 N N 0.663 119.336 118.700 -0.044 0.000 2.383 193 N HA 0.278 5.019 4.740 0.001 0.000 0.192 193 N C -0.155 175.321 175.510 -0.056 0.000 1.141 193 N CA -0.152 52.870 53.050 -0.046 0.000 0.851 193 N CB -0.483 37.978 38.487 -0.043 0.000 0.976 193 N HN 0.454 nan 8.380 nan 0.000 0.465 194 L N 1.549 122.735 121.223 -0.061 0.000 2.514 194 L HA 0.111 4.451 4.340 0.001 0.000 0.280 194 L C -1.572 175.259 176.870 -0.065 0.000 1.223 194 L CA -1.312 53.487 54.840 -0.068 0.000 0.864 194 L CB -0.054 41.965 42.059 -0.068 0.000 1.118 194 L HN 0.099 nan 8.230 nan 0.000 0.494 195 P HA 0.002 nan 4.420 nan 0.000 0.267 195 P C 0.551 177.810 177.300 -0.069 0.000 1.200 195 P CA 0.001 63.058 63.100 -0.071 0.000 0.772 195 P CB 0.645 32.294 31.700 -0.085 0.000 0.855 196 G N 1.592 110.353 108.800 -0.064 0.000 2.880 196 G HA2 0.047 4.008 3.960 0.001 0.000 0.209 196 G HA3 0.047 4.008 3.960 0.001 0.000 0.209 196 G C 0.200 175.050 174.900 -0.083 0.000 1.157 196 G CA 0.056 45.109 45.100 -0.078 0.000 0.779 196 G HN 0.618 nan 8.290 nan 0.000 0.539 197 K N -0.165 120.205 120.400 -0.050 0.000 2.571 197 K HA 0.388 4.708 4.320 0.001 0.000 0.289 197 K C -0.670 175.935 176.600 0.009 0.000 1.028 197 K CA -1.067 55.214 56.287 -0.009 0.000 0.895 197 K CB 0.925 33.430 32.500 0.009 0.000 1.534 197 K HN 0.110 nan 8.250 nan 0.000 0.421 198 E N 1.002 121.231 120.200 0.049 0.000 2.438 198 E HA 0.007 4.358 4.350 0.001 0.000 0.261 198 E C -0.224 176.405 176.600 0.048 0.000 1.103 198 E CA -0.237 56.204 56.400 0.068 0.000 0.959 198 E CB 0.827 30.586 29.700 0.098 0.000 0.958 198 E HN 0.574 nan 8.360 nan 0.000 0.447 199 K N 0.876 121.305 120.400 0.048 0.000 2.190 199 K HA -0.045 4.276 4.320 0.001 0.000 0.202 199 K C 0.493 177.261 176.600 0.280 0.000 1.045 199 K CA 0.615 56.925 56.287 0.037 0.000 0.976 199 K CB -0.138 32.178 32.500 -0.307 0.000 0.849 199 K HN 0.691 nan 8.250 nan 0.000 0.468 200 Y N 0.040 120.435 120.300 0.158 0.000 2.750 200 Y HA -0.380 4.171 4.550 0.001 0.000 0.477 200 Y C -0.485 175.562 175.900 0.245 0.000 1.138 200 Y CA 1.530 59.726 58.100 0.160 0.000 2.829 200 Y CB -0.769 37.744 38.460 0.089 0.000 1.073 200 Y HN -0.006 nan 8.280 nan 0.000 0.590 201 I N 1.196 121.922 120.570 0.260 0.000 2.533 201 I HA 0.481 4.652 4.170 0.001 0.000 0.290 201 I C -1.277 175.060 176.117 0.365 0.000 1.056 201 I CA -0.610 60.794 61.300 0.172 0.000 1.057 201 I CB 1.849 39.901 38.000 0.087 0.000 1.240 201 I HN 0.230 nan 8.210 nan 0.000 0.423 202 F N 3.217 123.202 119.950 0.058 0.000 2.619 202 F HA 0.587 5.114 4.527 0.001 0.000 0.308 202 F C -0.560 175.269 175.800 0.047 0.000 1.097 202 F CA -1.091 56.945 58.000 0.059 0.000 0.953 202 F CB 0.834 39.868 39.000 0.057 0.000 1.287 202 F HN 0.230 nan 8.300 nan 0.000 0.446 203 E N 2.299 122.581 120.200 0.136 0.000 2.398 203 E HA 0.232 4.583 4.350 0.001 0.000 0.263 203 E C -0.862 175.760 176.600 0.036 0.000 1.046 203 E CA -0.018 56.408 56.400 0.044 0.000 0.908 203 E CB 0.998 30.744 29.700 0.076 0.000 0.963 203 E HN 0.744 nan 8.360 nan 0.000 0.431 204 N N 1.002 119.686 118.700 -0.026 0.000 2.859 204 N HA -0.015 4.726 4.740 0.001 0.000 0.250 204 N C -1.232 174.271 175.510 -0.010 0.000 1.341 204 N CA -0.503 52.544 53.050 -0.006 0.000 0.881 204 N CB 2.210 40.650 38.487 -0.078 0.000 1.516 204 N HN 0.372 nan 8.380 nan 0.000 0.503 205 Q N 1.703 121.507 119.800 0.006 0.000 2.349 205 Q HA 0.141 4.482 4.340 0.001 0.000 0.287 205 Q C -0.190 175.801 176.000 -0.015 0.000 1.044 205 Q CA 0.019 55.822 55.803 0.001 0.000 0.918 205 Q CB 0.587 29.329 28.738 0.007 0.000 1.242 205 Q HN 0.457 nan 8.270 nan 0.000 0.405 206 L N 6.344 127.559 121.223 -0.014 0.000 2.593 206 L HA -0.002 4.339 4.340 0.001 0.000 0.287 206 L C -1.651 175.204 176.870 -0.024 0.000 1.243 206 L CA -0.922 53.905 54.840 -0.021 0.000 0.890 206 L CB -0.238 41.812 42.059 -0.014 0.000 1.134 206 L HN 0.685 nan 8.230 nan 0.000 0.502 207 P HA 0.150 nan 4.420 nan 0.000 0.275 207 P C -0.016 177.266 177.300 -0.030 0.000 1.266 207 P CA -0.452 62.628 63.100 -0.033 0.000 0.793 207 P CB 0.549 32.222 31.700 -0.045 0.000 1.074 208 G N -0.095 108.687 108.800 -0.030 0.000 2.516 208 G HA2 0.211 4.171 3.960 0.001 0.000 0.276 208 G HA3 0.211 4.171 3.960 0.001 0.000 0.276 208 G C -0.255 174.623 174.900 -0.036 0.000 1.390 208 G CA -0.462 44.620 45.100 -0.030 0.000 1.050 208 G HN 0.507 nan 8.290 nan 0.000 0.519 209 S N -0.637 115.042 115.700 -0.035 0.000 2.568 209 S HA -0.006 4.464 4.470 0.001 0.000 0.282 209 S C 1.551 176.121 174.600 -0.050 0.000 1.338 209 S CA -0.589 57.587 58.200 -0.040 0.000 1.045 209 S CB 1.198 64.376 63.200 -0.036 0.000 0.873 209 S HN 0.543 nan 8.310 nan 0.000 0.516 210 L N 4.549 125.737 121.223 -0.058 0.000 2.043 210 L HA -0.204 4.137 4.340 0.001 0.000 0.212 210 L C 2.337 179.164 176.870 -0.072 0.000 1.075 210 L CA 2.013 56.809 54.840 -0.074 0.000 0.752 210 L CB -0.781 41.227 42.059 -0.085 0.000 0.891 210 L HN 0.852 nan 8.230 nan 0.000 0.432 211 K N -1.595 118.769 120.400 -0.060 0.000 2.152 211 K HA -0.195 4.126 4.320 0.001 0.000 0.206 211 K C 1.344 177.915 176.600 -0.048 0.000 1.048 211 K CA 1.815 58.070 56.287 -0.054 0.000 0.933 211 K CB -0.606 31.868 32.500 -0.043 0.000 0.721 211 K HN 0.343 nan 8.250 nan 0.000 0.447 212 D N 0.937 121.310 120.400 -0.044 0.000 2.347 212 D HA -0.068 4.572 4.640 0.001 0.000 0.215 212 D C 0.753 177.028 176.300 -0.042 0.000 0.976 212 D CA 0.756 54.733 54.000 -0.038 0.000 0.884 212 D CB 0.083 40.864 40.800 -0.033 0.000 0.915 212 D HN 0.313 nan 8.370 nan 0.000 0.526 213 D N -0.163 120.206 120.400 -0.052 0.000 2.346 213 D HA 0.019 4.660 4.640 0.001 0.000 0.206 213 D C 0.671 176.934 176.300 -0.062 0.000 1.001 213 D CA -0.132 53.833 54.000 -0.057 0.000 0.871 213 D CB 0.526 41.285 40.800 -0.069 0.000 0.943 213 D HN 0.065 nan 8.370 nan 0.000 0.518 214 I N 1.928 122.458 120.570 -0.067 0.000 2.741 214 I HA -0.069 4.102 4.170 0.001 0.000 0.288 214 I C 0.327 176.415 176.117 -0.048 0.000 1.192 214 I CA 0.075 61.334 61.300 -0.070 0.000 1.426 214 I CB -0.089 37.870 38.000 -0.068 0.000 1.367 214 I HN -0.284 nan 8.210 nan 0.000 0.563 215 V N 7.234 127.123 119.914 -0.042 0.000 2.370 215 V HA 0.223 4.344 4.120 0.001 0.000 0.279 215 V C 0.477 176.562 176.094 -0.015 0.000 1.029 215 V CA -0.878 61.407 62.300 -0.026 0.000 0.870 215 V CB 1.312 33.120 31.823 -0.024 0.000 0.984 215 V HN 0.584 nan 8.190 nan 0.000 0.451 216 E N 2.848 123.041 120.200 -0.012 0.000 2.373 216 E HA 0.658 5.009 4.350 0.001 0.000 0.263 216 E C 0.370 176.969 176.600 -0.001 0.000 1.073 216 E CA 0.112 56.509 56.400 -0.005 0.000 0.894 216 E CB 1.829 31.525 29.700 -0.007 0.000 1.008 216 E HN 0.887 nan 8.360 nan 0.000 0.420 217 G N 1.082 109.885 108.800 0.004 0.000 2.660 217 G HA2 0.399 4.360 3.960 0.001 0.000 0.290 217 G HA3 0.399 4.360 3.960 0.001 0.000 0.290 217 G C -2.138 172.766 174.900 0.006 0.000 1.432 217 G CA -0.879 44.224 45.100 0.005 0.000 0.807 217 G HN 0.343 nan 8.290 nan 0.000 0.485 218 P HA 0.049 nan 4.420 nan 0.000 0.241 218 P C 0.425 177.729 177.300 0.007 0.000 1.191 218 P CA 0.524 63.627 63.100 0.004 0.000 0.771 218 P CB 0.327 32.029 31.700 0.003 0.000 0.929 219 N N -0.378 118.329 118.700 0.011 0.000 2.236 219 N HA 0.314 5.055 4.740 0.001 0.000 0.196 219 N C 0.733 176.254 175.510 0.019 0.000 1.114 219 N CA 0.632 53.690 53.050 0.014 0.000 0.859 219 N CB 0.582 39.079 38.487 0.016 0.000 0.982 219 N HN 0.153 nan 8.380 nan 0.000 0.493 220 G N -0.052 108.759 108.800 0.019 0.000 2.757 220 G HA2 -0.027 3.934 3.960 0.001 0.000 0.638 220 G HA3 -0.027 3.934 3.960 0.001 0.000 0.638 220 G C -0.417 174.504 174.900 0.036 0.000 1.344 220 G CA -0.423 44.689 45.100 0.020 0.000 0.855 220 G HN 0.342 nan 8.290 nan 0.000 0.537 221 E N -0.732 119.488 120.200 0.034 0.000 2.373 221 E HA 0.703 5.053 4.350 0.001 0.000 0.263 221 E C 1.248 177.887 176.600 0.065 0.000 1.073 221 E CA 0.025 56.460 56.400 0.059 0.000 0.894 221 E CB 0.946 30.671 29.700 0.042 0.000 1.008 221 E HN 2.283 nan 8.360 nan 0.000 0.420 222 V N -0.248 119.742 119.914 0.126 0.000 2.740 222 V HA 0.265 4.385 4.120 0.001 0.000 0.303 222 V C -1.243 174.839 176.094 -0.020 0.000 1.054 222 V CA -0.525 61.844 62.300 0.116 0.000 1.106 222 V CB 0.921 32.897 31.823 0.255 0.000 0.957 222 V HN 0.764 nan 8.190 nan 0.000 0.486 223 P HA 0.037 nan 4.420 nan 0.000 0.221 223 P C -0.257 176.620 177.300 -0.705 0.000 1.150 223 P CA 1.189 64.073 63.100 -0.360 0.000 0.800 223 P CB -0.000 31.526 31.700 -0.290 0.000 0.787 224 Y N -0.181 120.014 120.300 -0.175 0.000 2.457 224 Y HA 0.421 4.972 4.550 0.002 0.000 0.343 224 Y C -2.265 173.330 175.900 -0.510 0.000 0.994 224 Y CA -2.834 55.113 58.100 -0.254 0.000 1.031 224 Y CB 1.742 40.047 38.460 -0.258 0.000 1.246 224 Y HN -0.187 nan 8.280 nan 0.000 0.449 225 P HA 0.150 nan 4.420 nan 0.000 0.274 225 P C -0.344 176.607 177.300 -0.581 0.000 1.231 225 P CA -0.104 62.736 63.100 -0.435 0.000 0.790 225 P CB 0.986 32.721 31.700 0.059 0.000 0.951 226 F N -0.484 119.024 119.950 -0.737 0.000 2.727 226 F HA 0.113 4.640 4.527 0.001 0.000 0.302 226 F C 1.498 177.499 175.800 0.335 0.000 1.097 226 F CA 0.214 58.153 58.000 -0.102 0.000 1.330 226 F CB -0.101 38.817 39.000 -0.137 0.000 1.084 226 F HN 0.234 nan 8.300 nan 0.000 0.578 227 T N -3.226 111.572 114.554 0.406 0.000 2.930 227 T HA 0.594 4.944 4.350 0.001 0.000 0.290 227 T C -1.551 173.106 174.700 -0.070 0.000 1.052 227 T CA -0.803 61.472 62.100 0.292 0.000 1.017 227 T CB 2.526 71.600 68.868 0.344 0.000 1.137 227 T HN -0.006 nan 8.240 nan 0.000 0.511 228 Y N 0.330 120.308 120.300 -0.536 0.000 2.479 228 Y HA 0.513 5.064 4.550 0.002 0.000 0.338 228 Y C -0.957 174.716 175.900 -0.378 0.000 1.055 228 Y CA -1.168 56.520 58.100 -0.686 0.000 1.023 228 Y CB 1.762 39.296 38.460 -1.543 0.000 1.287 228 Y HN 0.617 nan 8.280 nan 0.000 0.447 229 R N 6.788 126.886 120.500 -0.670 0.000 2.565 229 R HA 0.157 4.498 4.340 0.001 0.000 0.286 229 R C 0.623 176.681 176.300 -0.403 0.000 1.256 229 R CA -0.364 55.483 56.100 -0.421 0.000 1.238 229 R CB 0.267 30.373 30.300 -0.325 0.000 1.153 229 R HN 0.865 nan 8.270 nan 0.000 0.553 230 L N 2.592 123.720 121.223 -0.159 0.000 2.017 230 L HA -0.098 4.243 4.340 0.001 0.000 0.208 230 L C 1.601 178.429 176.870 -0.071 0.000 1.073 230 L CA 1.885 56.753 54.840 0.047 0.000 0.745 230 L CB -0.227 41.927 42.059 0.158 0.000 0.894 230 L HN 0.541 nan 8.230 nan 0.000 0.432 231 L N -0.848 120.248 121.223 -0.211 0.000 2.551 231 L HA -0.083 4.258 4.340 0.001 0.000 0.228 231 L C 1.964 178.779 176.870 -0.091 0.000 1.153 231 L CA 0.511 55.150 54.840 -0.335 0.000 0.851 231 L CB -0.532 41.339 42.059 -0.313 0.000 0.959 231 L HN 0.388 nan 8.230 nan 0.000 0.451 232 E N -0.621 119.530 120.200 -0.081 0.000 2.481 232 E HA -0.033 4.318 4.350 0.001 0.000 0.195 232 E C 0.397 177.002 176.600 0.009 0.000 1.047 232 E CA -0.026 56.347 56.400 -0.045 0.000 0.867 232 E CB 0.306 29.940 29.700 -0.110 0.000 0.858 232 E HN 0.421 nan 8.360 nan 0.000 0.513 233 Q N 0.374 120.218 119.800 0.073 0.000 2.312 233 Q HA 0.188 4.528 4.340 0.001 0.000 0.236 233 Q C 0.127 176.220 176.000 0.155 0.000 0.965 233 Q CA 0.109 55.981 55.803 0.115 0.000 0.894 233 Q CB 0.165 29.011 28.738 0.181 0.000 1.225 233 Q HN 0.217 nan 8.270 nan 0.000 0.478 234 E N 2.810 123.047 120.200 0.062 0.000 2.217 234 E HA 0.297 4.648 4.350 0.001 0.000 0.279 234 E C -2.168 174.365 176.600 -0.112 0.000 1.068 234 E CA -1.624 54.771 56.400 -0.008 0.000 0.882 234 E CB -0.643 29.047 29.700 -0.017 0.000 1.039 234 E HN 0.284 nan 8.360 nan 0.000 0.418 235 P HA 0.330 nan 4.420 nan 0.000 0.276 235 P C -0.276 176.843 177.300 -0.302 0.000 1.252 235 P CA -0.608 62.142 63.100 -0.584 0.000 0.802 235 P CB 0.739 31.744 31.700 -1.159 0.000 1.035 236 I N 1.142 121.558 120.570 -0.257 0.000 2.505 236 I HA 0.054 4.224 4.170 0.001 0.000 0.287 236 I C 1.054 177.080 176.117 -0.152 0.000 1.104 236 I CA 0.510 61.718 61.300 -0.154 0.000 1.387 236 I CB -0.204 37.725 38.000 -0.118 0.000 1.404 236 I HN 0.207 nan 8.210 nan 0.000 0.528 237 E N 5.547 125.688 120.200 -0.099 0.000 2.133 237 E HA 0.403 4.754 4.350 0.001 0.000 0.274 237 E C -0.654 175.930 176.600 -0.026 0.000 0.930 237 E CA -0.411 55.944 56.400 -0.075 0.000 0.770 237 E CB 1.516 31.174 29.700 -0.070 0.000 1.104 237 E HN 0.719 nan 8.360 nan 0.000 0.403 238 S N 1.626 117.314 115.700 -0.020 0.000 2.810 238 S HA 0.274 4.745 4.470 0.001 0.000 0.315 238 S C 0.926 175.499 174.600 -0.045 0.000 1.138 238 S CA -0.903 57.285 58.200 -0.019 0.000 0.889 238 S CB 1.452 64.682 63.200 0.051 0.000 1.236 238 S HN 0.591 nan 8.310 nan 0.000 0.548 239 E N 0.283 120.435 120.200 -0.079 0.000 2.110 239 E HA -0.054 4.297 4.350 0.001 0.000 0.193 239 E C 1.507 178.096 176.600 -0.018 0.000 0.988 239 E CA 1.158 57.520 56.400 -0.063 0.000 0.804 239 E CB -0.569 29.078 29.700 -0.089 0.000 0.745 239 E HN 0.838 nan 8.360 nan 0.000 0.458 240 G N -0.609 108.194 108.800 0.005 0.000 3.233 240 G HA2 0.401 4.362 3.960 0.001 0.000 0.234 240 G HA3 0.401 4.362 3.960 0.001 0.000 0.234 240 G C 0.263 175.188 174.900 0.043 0.000 1.137 240 G CA 0.345 45.464 45.100 0.033 0.000 0.763 240 G HN 0.450 nan 8.290 nan 0.000 0.549 241 G N -0.408 108.407 108.800 0.025 0.000 2.344 241 G HA2 0.431 4.392 3.960 0.001 0.000 0.282 241 G HA3 0.431 4.392 3.960 0.001 0.000 0.282 241 G C -1.834 173.060 174.900 -0.010 0.000 1.281 241 G CA -0.939 44.176 45.100 0.025 0.000 0.877 241 G HN 0.219 nan 8.290 nan 0.000 0.494 242 K N -0.886 119.499 120.400 -0.024 0.000 2.502 242 K HA 0.684 5.004 4.320 0.001 0.000 0.257 242 K C -1.501 175.028 176.600 -0.118 0.000 0.938 242 K CA -0.807 55.416 56.287 -0.107 0.000 0.819 242 K CB 3.149 35.577 32.500 -0.120 0.000 1.333 242 K HN 0.402 nan 8.250 nan 0.000 0.434 243 V N 2.717 122.501 119.914 -0.218 0.000 2.525 243 V HA 0.367 4.487 4.120 0.001 0.000 0.299 243 V C -1.584 174.363 176.094 -0.245 0.000 1.034 243 V CA -0.904 61.296 62.300 -0.167 0.000 0.863 243 V CB 1.037 32.769 31.823 -0.152 0.000 0.999 243 V HN 0.617 nan 8.190 nan 0.000 0.423 244 Y N 4.762 125.007 120.300 -0.092 0.000 2.334 244 Y HA 0.640 5.190 4.550 0.001 0.000 0.336 244 Y C 0.126 175.981 175.900 -0.075 0.000 0.960 244 Y CA -0.666 57.406 58.100 -0.046 0.000 1.164 244 Y CB 1.457 39.928 38.460 0.017 0.000 1.155 244 Y HN 0.466 nan 8.280 nan 0.000 0.478 245 I N 3.406 123.982 120.570 0.009 0.000 2.359 245 I HA 0.665 4.836 4.170 0.001 0.000 0.294 245 I C -0.236 175.892 176.117 0.018 0.000 0.987 245 I CA -0.756 60.483 61.300 -0.102 0.000 1.225 245 I CB 1.409 39.222 38.000 -0.312 0.000 1.366 245 I HN 0.685 nan 8.210 nan 0.000 0.466 246 A N 5.466 128.311 122.820 0.042 0.000 2.332 246 A HA 0.702 5.023 4.320 0.001 0.000 0.300 246 A C -1.118 176.485 177.584 0.033 0.000 1.153 246 A CA -0.510 51.520 52.037 -0.011 0.000 0.764 246 A CB 0.677 19.680 19.000 0.004 0.000 1.174 246 A HN 0.746 nan 8.150 nan 0.000 0.467 247 D N 0.536 120.918 120.400 -0.029 0.000 2.781 247 D HA 0.360 5.000 4.640 0.001 0.000 0.295 247 D C 1.027 177.261 176.300 -0.110 0.000 1.143 247 D CA 0.265 54.241 54.000 -0.040 0.000 1.076 247 D CB 0.188 40.997 40.800 0.014 0.000 1.444 247 D HN 0.371 nan 8.370 nan 0.000 0.567 248 S N -1.614 114.001 115.700 -0.142 0.000 2.507 248 S HA -0.147 4.324 4.470 0.001 0.000 0.235 248 S C 1.624 176.137 174.600 -0.144 0.000 0.988 248 S CA 1.589 59.668 58.200 -0.201 0.000 0.944 248 S CB -1.330 61.748 63.200 -0.203 0.000 0.762 248 S HN 0.694 nan 8.310 nan 0.000 0.526 249 T N 0.113 114.619 114.554 -0.080 0.000 3.023 249 T HA 0.000 4.351 4.350 0.001 0.000 0.266 249 T C 1.531 176.211 174.700 -0.033 0.000 1.093 249 T CA 1.052 63.119 62.100 -0.055 0.000 1.129 249 T CB -0.431 68.420 68.868 -0.027 0.000 0.899 249 T HN 0.661 nan 8.240 nan 0.000 0.491 250 N N -0.006 118.674 118.700 -0.034 0.000 2.612 250 N HA 0.126 4.867 4.740 0.001 0.000 0.224 250 N C 0.041 175.568 175.510 0.029 0.000 1.051 250 N CA -0.338 52.727 53.050 0.023 0.000 0.889 250 N CB -0.467 38.062 38.487 0.071 0.000 1.449 250 N HN 0.337 nan 8.380 nan 0.000 0.442 251 F N 3.425 123.128 119.950 -0.412 0.000 2.451 251 F HA 0.458 4.987 4.527 0.002 0.000 0.356 251 F C 0.926 176.555 175.800 -0.287 0.000 1.178 251 F CA -1.433 56.298 58.000 -0.448 0.000 1.210 251 F CB 0.251 38.809 39.000 -0.736 0.000 1.504 251 F HN -0.163 nan 8.300 nan 0.000 0.598 252 K N 2.852 123.207 120.400 -0.074 0.000 2.103 252 K HA -0.110 4.211 4.320 0.001 0.000 0.207 252 K C 2.123 178.419 176.600 -0.507 0.000 1.048 252 K CA 1.727 57.809 56.287 -0.341 0.000 0.930 252 K CB -0.826 31.360 32.500 -0.522 0.000 0.716 252 K HN 0.549 nan 8.250 nan 0.000 0.444 253 V N -1.383 118.201 119.914 -0.550 0.000 2.970 253 V HA 0.020 4.141 4.120 0.001 0.000 0.260 253 V C 1.421 177.039 176.094 -0.793 0.000 1.100 253 V CA 1.018 63.001 62.300 -0.529 0.000 1.122 253 V CB -0.409 31.180 31.823 -0.390 0.000 0.721 253 V HN 0.055 nan 8.190 nan 0.000 0.483 254 S N 1.057 116.053 115.700 -1.174 0.000 4.069 254 S HA 0.167 4.637 4.470 0.001 0.000 0.192 254 S C 1.374 175.396 174.600 -0.964 0.000 1.441 254 S CA -0.448 56.771 58.200 -1.635 0.000 0.994 254 S CB -0.577 61.922 63.200 -1.168 0.000 1.456 254 S HN 0.534 nan 8.310 nan 0.000 0.458 255 K N 0.876 120.830 120.400 -0.742 0.000 2.155 255 K HA -0.028 4.292 4.320 0.001 0.000 0.203 255 K C 1.931 178.435 176.600 -0.159 0.000 1.052 255 K CA 1.466 57.574 56.287 -0.299 0.000 0.948 255 K CB -0.463 31.955 32.500 -0.137 0.000 0.728 255 K HN 0.724 nan 8.250 nan 0.000 0.448 256 T N -2.123 112.388 114.554 -0.071 0.000 3.044 256 T HA 0.268 4.619 4.350 0.001 0.000 0.260 256 T C 0.559 175.271 174.700 0.021 0.000 1.019 256 T CA -0.323 61.801 62.100 0.041 0.000 0.921 256 T CB 0.288 69.243 68.868 0.146 0.000 1.053 256 T HN -0.186 nan 8.240 nan 0.000 0.533 257 I N 1.990 122.539 120.570 -0.035 0.000 2.499 257 I HA 0.697 4.867 4.170 0.001 0.000 0.288 257 I C -0.412 175.612 176.117 -0.156 0.000 1.048 257 I CA -1.184 60.056 61.300 -0.099 0.000 1.062 257 I CB 1.362 39.318 38.000 -0.074 0.000 1.238 257 I HN 0.243 nan 8.210 nan 0.000 0.426 258 A N 5.073 127.831 122.820 -0.104 0.000 2.340 258 A HA 0.898 5.219 4.320 0.001 0.000 0.331 258 A C -0.245 177.369 177.584 0.050 0.000 1.140 258 A CA -0.413 51.621 52.037 -0.004 0.000 0.801 258 A CB 1.435 20.454 19.000 0.032 0.000 1.234 258 A HN 0.776 nan 8.150 nan 0.000 0.469 259 S N -0.031 115.719 115.700 0.084 0.000 2.541 259 S HA 0.871 5.341 4.470 0.001 0.000 0.271 259 S C -0.724 173.942 174.600 0.110 0.000 1.133 259 S CA -0.092 58.122 58.200 0.023 0.000 0.876 259 S CB 1.683 64.807 63.200 -0.127 0.000 1.105 259 S HN 2.241 nan 8.310 nan 0.000 0.470 260 A N 1.449 124.327 122.820 0.097 0.000 2.422 260 A HA 0.764 5.084 4.320 0.001 0.000 0.302 260 A C -1.308 176.260 177.584 -0.025 0.000 1.041 260 A CA -0.694 51.343 52.037 -0.001 0.000 0.708 260 A CB 1.438 20.375 19.000 -0.105 0.000 1.257 260 A HN 1.233 nan 8.150 nan 0.000 0.414 261 L N 3.208 124.426 121.223 -0.009 0.000 2.264 261 L HA 0.692 5.033 4.340 0.001 0.000 0.289 261 L C -0.997 175.810 176.870 -0.105 0.000 1.044 261 L CA -0.152 54.629 54.840 -0.098 0.000 0.807 261 L CB 1.381 43.400 42.059 -0.067 0.000 1.192 261 L HN 0.442 nan 8.230 nan 0.000 0.425 262 V N 3.886 123.575 119.914 -0.376 0.000 2.459 262 V HA 0.552 4.672 4.120 0.001 0.000 0.295 262 V C -0.008 175.891 176.094 -0.324 0.000 1.029 262 V CA -0.487 61.546 62.300 -0.445 0.000 0.874 262 V CB 1.750 33.009 31.823 -0.941 0.000 0.985 262 V HN 0.817 nan 8.190 nan 0.000 0.438 263 T N 4.176 118.675 114.554 -0.091 0.000 2.792 263 T HA 0.613 4.964 4.350 0.001 0.000 0.280 263 T C -0.526 174.207 174.700 0.054 0.000 0.990 263 T CA -0.400 61.708 62.100 0.014 0.000 0.960 263 T CB 1.603 70.519 68.868 0.080 0.000 0.939 263 T HN 0.364 nan 8.240 nan 0.000 0.439 264 V N 3.823 123.808 119.914 0.118 0.000 2.407 264 V HA 0.336 4.457 4.120 0.001 0.000 0.291 264 V C 0.155 176.328 176.094 0.132 0.000 1.018 264 V CA -1.038 61.352 62.300 0.150 0.000 0.842 264 V CB 1.581 33.553 31.823 0.248 0.000 0.996 264 V HN 0.766 nan 8.190 nan 0.000 0.426 265 E N 4.971 125.231 120.200 0.100 0.000 2.408 265 E HA 0.214 4.565 4.350 0.001 0.000 0.259 265 E C -2.403 174.252 176.600 0.091 0.000 1.110 265 E CA -1.982 54.469 56.400 0.086 0.000 0.929 265 E CB 0.394 30.132 29.700 0.063 0.000 0.971 265 E HN 0.370 nan 8.360 nan 0.000 0.438 266 P HA -0.016 nan 4.420 nan 0.000 0.264 266 P C 0.608 177.949 177.300 0.068 0.000 1.183 266 P CA 1.131 64.276 63.100 0.075 0.000 0.763 266 P CB 0.309 32.046 31.700 0.062 0.000 0.807 267 G N 1.124 109.967 108.800 0.071 0.000 2.179 267 G HA2 -0.098 3.863 3.960 0.001 0.000 0.260 267 G HA3 -0.098 3.863 3.960 0.001 0.000 0.260 267 G C 0.322 175.263 174.900 0.070 0.000 0.977 267 G CA 0.114 45.251 45.100 0.062 0.000 0.641 267 G HN 0.875 nan 8.290 nan 0.000 0.533 268 A N -0.400 122.473 122.820 0.089 0.000 2.344 268 A HA 1.079 5.399 4.320 0.001 0.000 0.307 268 A C -0.059 177.609 177.584 0.141 0.000 1.151 268 A CA -0.045 52.051 52.037 0.099 0.000 0.842 268 A CB 1.192 20.248 19.000 0.093 0.000 1.350 268 A HN 1.741 nan 8.150 nan 0.000 0.459 269 M N -0.643 119.052 119.600 0.158 0.000 2.413 269 M HA 0.666 5.146 4.480 0.001 0.000 0.287 269 M C -0.697 175.747 176.300 0.240 0.000 1.186 269 M CA -0.747 54.688 55.300 0.224 0.000 0.927 269 M CB 1.798 34.531 32.600 0.222 0.000 1.715 269 M HN 0.540 nan 8.290 nan 0.000 0.478 270 R N 2.829 123.523 120.500 0.322 0.000 2.421 270 R HA 0.145 4.485 4.340 0.001 0.000 0.305 270 R C -0.185 176.318 176.300 0.337 0.000 1.039 270 R CA 0.332 56.625 56.100 0.322 0.000 1.003 270 R CB 0.355 30.944 30.300 0.481 0.000 0.959 270 R HN 0.826 nan 8.270 nan 0.000 0.427 271 E N 3.881 124.221 120.200 0.234 0.000 2.428 271 E HA -0.023 4.327 4.350 0.001 0.000 0.257 271 E C -0.597 176.227 176.600 0.373 0.000 1.197 271 E CA -0.552 55.991 56.400 0.239 0.000 0.974 271 E CB 0.477 30.265 29.700 0.148 0.000 0.976 271 E HN 0.501 nan 8.360 nan 0.000 0.463 272 L N 3.264 124.666 121.223 0.299 0.000 2.562 272 L HA 0.085 4.426 4.340 0.001 0.000 0.271 272 L C 0.342 177.382 176.870 0.283 0.000 1.167 272 L CA 0.392 55.410 54.840 0.297 0.000 0.917 272 L CB -0.566 41.630 42.059 0.228 0.000 1.187 272 L HN 0.626 nan 8.230 nan 0.000 0.482 273 H N 2.165 121.243 119.070 0.012 0.000 2.948 273 H HA 0.475 5.032 4.556 0.002 0.000 0.315 273 H C -1.524 173.743 175.328 -0.103 0.000 1.360 273 H CA -1.184 54.791 56.048 -0.121 0.000 1.125 273 H CB 1.062 30.672 29.762 -0.254 0.000 1.844 273 H HN 0.580 nan 8.280 nan 0.000 0.529 274 W N 0.145 121.224 121.300 -0.369 0.000 3.038 274 W HA 0.631 5.292 4.660 0.001 0.000 0.347 274 W C -1.701 174.584 176.519 -0.390 0.000 1.219 274 W CA -1.021 56.116 57.345 -0.346 0.000 1.142 274 W CB 0.984 30.396 29.460 -0.080 0.000 1.484 274 W HN 0.521 nan 8.180 nan 0.000 0.586 275 H N 1.549 120.815 119.070 0.328 0.000 2.511 275 H HA 0.239 4.796 4.556 0.001 0.000 0.328 275 H C -1.847 173.668 175.328 0.311 0.000 1.044 275 H CA -1.822 54.289 56.048 0.106 0.000 1.212 275 H CB 2.174 31.977 29.762 0.068 0.000 1.428 275 H HN 0.219 nan 8.280 nan 0.000 0.483 276 P HA -0.053 nan 4.420 nan 0.000 0.249 276 P C 0.599 178.113 177.300 0.356 0.000 1.229 276 P CA 0.464 63.787 63.100 0.371 0.000 0.788 276 P CB 0.520 32.311 31.700 0.152 0.000 1.072 277 N N -1.222 117.522 118.700 0.073 0.000 2.606 277 N HA 0.068 4.809 4.740 0.001 0.000 0.208 277 N C 0.476 175.502 175.510 -0.808 0.000 1.046 277 N CA 0.591 53.484 53.050 -0.261 0.000 0.891 277 N CB 0.074 38.352 38.487 -0.348 0.000 1.344 277 N HN -0.023 nan 8.380 nan 0.000 0.437 278 T N -0.946 113.239 114.554 -0.614 0.000 2.658 278 T HA 0.183 4.534 4.350 0.001 0.000 0.305 278 T C -1.851 172.717 174.700 -0.221 0.000 1.551 278 T CA -0.669 60.986 62.100 -0.742 0.000 0.985 278 T CB 0.251 68.856 68.868 -0.439 0.000 1.731 278 T HN 0.185 nan 8.240 nan 0.000 0.486 279 H N 1.539 120.591 119.070 -0.029 0.000 2.871 279 H HA 0.256 4.813 4.556 0.001 0.000 0.355 279 H C 0.264 175.418 175.328 -0.291 0.000 1.092 279 H CA 0.195 56.180 56.048 -0.104 0.000 1.420 279 H CB 0.546 30.228 29.762 -0.134 0.000 1.400 279 H HN 0.556 nan 8.280 nan 0.000 0.604 280 E N 2.368 122.320 120.200 -0.413 0.000 2.175 280 E HA 0.155 4.506 4.350 0.001 0.000 0.278 280 E C -1.174 174.974 176.600 -0.754 0.000 0.969 280 E CA -0.748 55.189 56.400 -0.772 0.000 0.796 280 E CB 1.005 30.362 29.700 -0.571 0.000 1.104 280 E HN 0.518 nan 8.360 nan 0.000 0.395 281 W N 4.077 124.941 121.300 -0.728 0.000 2.573 281 W HA 0.296 4.955 4.660 -0.002 0.000 0.326 281 W C -1.011 175.324 176.519 -0.307 0.000 1.049 281 W CA -0.373 56.765 57.345 -0.345 0.000 1.220 281 W CB 1.308 30.683 29.460 -0.141 0.000 1.373 281 W HN 0.475 nan 8.180 nan 0.000 0.507 282 Q N 4.592 123.987 119.800 -0.674 0.000 2.365 282 Q HA 0.327 4.667 4.340 0.001 0.000 0.269 282 Q C -1.872 173.654 176.000 -0.789 0.000 1.061 282 Q CA -1.157 54.296 55.803 -0.583 0.000 0.816 282 Q CB 3.171 31.536 28.738 -0.622 0.000 1.325 282 Q HN 0.512 nan 8.270 nan 0.000 0.446 283 Y N 1.084 121.101 120.300 -0.470 0.000 2.391 283 Y HA 0.383 4.933 4.550 0.000 0.000 0.341 283 Y C -1.812 173.975 175.900 -0.189 0.000 0.965 283 Y CA -1.073 56.902 58.100 -0.209 0.000 1.067 283 Y CB 1.110 39.683 38.460 0.189 0.000 1.199 283 Y HN 0.554 nan 8.280 nan 0.000 0.450 284 Y N 7.398 127.205 120.300 -0.820 0.000 2.454 284 Y HA 0.287 4.837 4.550 0.000 0.000 0.345 284 Y C 0.980 176.465 175.900 -0.692 0.000 0.970 284 Y CA -0.213 57.587 58.100 -0.500 0.000 1.204 284 Y CB 0.571 38.863 38.460 -0.279 0.000 1.122 284 Y HN 0.669 nan 8.280 nan 0.000 0.514 285 I N 1.118 121.563 120.570 -0.207 0.000 2.233 285 I HA -0.129 4.042 4.170 0.001 0.000 0.243 285 I C 0.633 176.808 176.117 0.097 0.000 1.093 285 I CA 0.962 62.286 61.300 0.040 0.000 1.380 285 I CB 0.002 38.102 38.000 0.168 0.000 1.067 285 I HN 0.553 nan 8.210 nan 0.000 0.413 286 S N -0.724 115.046 115.700 0.118 0.000 2.570 286 S HA 0.738 5.209 4.470 0.001 0.000 0.270 286 S C -0.318 174.373 174.600 0.152 0.000 1.149 286 S CA -0.194 58.083 58.200 0.128 0.000 0.837 286 S CB 1.829 65.104 63.200 0.125 0.000 1.124 286 S HN 0.677 nan 8.310 nan 0.000 0.465 287 G N 1.169 110.043 108.800 0.124 0.000 2.627 287 G HA2 0.085 4.045 3.960 0.001 0.000 0.214 287 G HA3 0.085 4.045 3.960 0.001 0.000 0.214 287 G C -1.538 173.423 174.900 0.102 0.000 1.331 287 G CA -0.585 44.588 45.100 0.122 0.000 0.891 287 G HN 0.897 nan 8.290 nan 0.000 0.539 288 K N -0.318 120.137 120.400 0.091 0.000 2.468 288 K HA 0.745 5.066 4.320 0.001 0.000 0.252 288 K C -0.111 176.524 176.600 0.059 0.000 0.932 288 K CA -0.088 56.224 56.287 0.041 0.000 0.794 288 K CB 2.220 34.738 32.500 0.029 0.000 1.241 288 K HN 1.375 nan 8.250 nan 0.000 0.428 289 A N 2.278 125.100 122.820 0.004 0.000 2.527 289 A HA 0.782 5.103 4.320 0.001 0.000 0.293 289 A C -1.276 176.330 177.584 0.038 0.000 1.117 289 A CA -0.952 51.111 52.037 0.043 0.000 0.723 289 A CB 1.445 20.464 19.000 0.033 0.000 1.313 289 A HN 0.871 nan 8.150 nan 0.000 0.411 290 R N 0.295 120.853 120.500 0.096 0.000 2.807 290 R HA 0.865 5.206 4.340 0.001 0.000 0.276 290 R C -1.018 175.318 176.300 0.059 0.000 0.979 290 R CA -0.703 55.454 56.100 0.096 0.000 0.928 290 R CB 1.740 32.097 30.300 0.094 0.000 1.191 290 R HN 0.820 nan 8.270 nan 0.000 0.471 291 M N 1.802 121.416 119.600 0.024 0.000 2.326 291 M HA 0.343 4.824 4.480 0.001 0.000 0.292 291 M C -1.586 174.631 176.300 -0.138 0.000 1.081 291 M CA -0.308 54.838 55.300 -0.256 0.000 0.919 291 M CB 2.973 35.565 32.600 -0.013 0.000 1.634 291 M HN 0.785 nan 8.290 nan 0.000 0.451 292 T N 3.826 118.155 114.554 -0.375 0.000 2.767 292 T HA 0.486 4.837 4.350 0.001 0.000 0.288 292 T C -0.592 174.205 174.700 0.162 0.000 0.963 292 T CA -0.461 61.679 62.100 0.067 0.000 1.019 292 T CB 1.068 70.127 68.868 0.318 0.000 0.923 292 T HN 0.489 nan 8.240 nan 0.000 0.468 293 V N 4.815 124.889 119.914 0.266 0.000 2.370 293 V HA 0.389 4.510 4.120 0.001 0.000 0.279 293 V C -0.422 175.865 176.094 0.321 0.000 1.029 293 V CA -0.862 61.607 62.300 0.282 0.000 0.870 293 V CB 0.577 32.560 31.823 0.267 0.000 0.984 293 V HN 0.797 nan 8.190 nan 0.000 0.451 294 F N 5.232 125.290 119.950 0.179 0.000 2.385 294 F HA 0.672 5.202 4.527 0.004 0.000 0.360 294 F C 0.628 176.493 175.800 0.108 0.000 1.122 294 F CA -0.873 57.215 58.000 0.146 0.000 1.090 294 F CB 1.408 40.488 39.000 0.133 0.000 1.150 294 F HN 0.486 nan 8.300 nan 0.000 0.472 295 A N 4.607 127.114 122.820 -0.521 0.000 2.465 295 A HA 0.515 4.835 4.320 0.001 0.000 0.255 295 A C 0.606 177.842 177.584 -0.581 0.000 1.274 295 A CA 0.494 52.292 52.037 -0.397 0.000 0.920 295 A CB -1.057 17.879 19.000 -0.107 0.000 1.033 295 A HN 1.716 nan 8.150 nan 0.000 0.516 296 S N -1.173 113.838 115.700 -1.148 0.000 3.960 296 S HA -0.096 4.375 4.470 0.001 0.000 0.671 296 S C -0.128 174.329 174.600 -0.239 0.000 1.405 296 S CA 0.943 58.722 58.200 -0.702 0.000 1.519 296 S CB -1.489 61.479 63.200 -0.386 0.000 0.362 296 S HN 1.785 nan 8.310 nan 0.000 1.244 297 D N 0.148 120.531 120.400 -0.028 0.000 2.708 297 D HA -0.026 4.614 4.640 0.001 0.000 0.236 297 D C 1.338 177.825 176.300 0.312 0.000 1.146 297 D CA 3.344 57.397 54.000 0.088 0.000 0.662 297 D CB -1.579 39.198 40.800 -0.038 0.000 1.059 297 D HN 2.462 nan 8.370 nan 0.000 0.428 298 G N -0.395 108.609 108.800 0.339 0.000 2.168 298 G HA2 -0.343 3.618 3.960 0.001 0.000 0.257 298 G HA3 -0.343 3.618 3.960 0.001 0.000 0.257 298 G C 0.052 175.204 174.900 0.419 0.000 0.997 298 G CA 0.551 45.857 45.100 0.344 0.000 0.708 298 G HN 0.710 nan 8.290 nan 0.000 0.520 299 H N 0.331 119.526 119.070 0.208 0.000 2.467 299 H HA 0.762 5.319 4.556 0.002 0.000 0.326 299 H C 0.434 175.880 175.328 0.197 0.000 1.094 299 H CA 0.364 56.514 56.048 0.171 0.000 1.253 299 H CB 1.779 31.566 29.762 0.041 0.000 1.439 299 H HN 0.825 nan 8.280 nan 0.000 0.479 300 A N 3.185 126.172 122.820 0.279 0.000 2.566 300 A HA 0.700 5.021 4.320 0.001 0.000 0.297 300 A C -1.033 176.637 177.584 0.144 0.000 1.059 300 A CA -0.750 51.450 52.037 0.272 0.000 0.691 300 A CB 1.621 20.829 19.000 0.348 0.000 1.282 300 A HN 0.682 nan 8.150 nan 0.000 0.401 301 R N 0.725 121.301 120.500 0.126 0.000 2.604 301 R HA 0.671 5.011 4.340 0.001 0.000 0.281 301 R C -1.328 174.878 176.300 -0.158 0.000 1.020 301 R CA -0.197 55.860 56.100 -0.071 0.000 0.899 301 R CB 2.098 32.316 30.300 -0.136 0.000 1.205 301 R HN 0.708 nan 8.270 nan 0.000 0.450 302 T N 4.002 118.357 114.554 -0.331 0.000 2.829 302 T HA 0.534 4.884 4.350 0.001 0.000 0.282 302 T C -1.045 173.306 174.700 -0.581 0.000 0.990 302 T CA -0.071 61.887 62.100 -0.236 0.000 1.028 302 T CB 0.445 69.263 68.868 -0.083 0.000 0.951 302 T HN 0.266 nan 8.240 nan 0.000 0.460 303 F N 1.495 121.394 119.950 -0.085 0.000 2.577 303 F HA 0.487 5.015 4.527 0.001 0.000 0.318 303 F C 0.515 176.073 175.800 -0.402 0.000 1.065 303 F CA -1.134 56.703 58.000 -0.273 0.000 0.929 303 F CB 1.691 40.482 39.000 -0.349 0.000 1.237 303 F HN 0.425 nan 8.300 nan 0.000 0.468 304 N N 0.484 118.958 118.700 -0.378 0.000 2.456 304 N HA 0.592 5.333 4.740 0.001 0.000 0.296 304 N C -1.822 173.200 175.510 -0.813 0.000 1.102 304 N CA -0.595 52.210 53.050 -0.408 0.000 0.924 304 N CB 1.277 39.622 38.487 -0.236 0.000 1.186 304 N HN 0.408 nan 8.380 nan 0.000 0.492 305 Y N -0.275 119.816 120.300 -0.349 0.000 2.534 305 Y HA 0.372 4.922 4.550 -0.000 0.000 0.345 305 Y C -0.194 175.426 175.900 -0.468 0.000 1.031 305 Y CA -0.892 56.852 58.100 -0.594 0.000 1.022 305 Y CB 1.785 39.370 38.460 -1.459 0.000 1.292 305 Y HN 0.461 nan 8.280 nan 0.000 0.459 306 Q N 0.827 120.520 119.800 -0.179 0.000 2.693 306 Q HA 0.884 5.225 4.340 0.001 0.000 0.306 306 Q C -1.185 174.819 176.000 0.007 0.000 0.969 306 Q CA -1.604 54.158 55.803 -0.070 0.000 0.757 306 Q CB 1.864 30.581 28.738 -0.035 0.000 1.494 306 Q HN 0.793 nan 8.270 nan 0.000 0.459 307 A N -0.047 122.803 122.820 0.051 0.000 2.584 307 A HA 0.367 4.687 4.320 0.001 0.000 0.239 307 A C 1.232 178.875 177.584 0.098 0.000 1.043 307 A CA 1.311 53.386 52.037 0.063 0.000 0.756 307 A CB -1.339 17.715 19.000 0.090 0.000 0.963 307 A HN 1.711 nan 8.150 nan 0.000 0.511 308 G N 2.084 110.956 108.800 0.121 0.000 2.176 308 G HA2 -0.166 3.795 3.960 0.001 0.000 0.232 308 G HA3 -0.166 3.795 3.960 0.001 0.000 0.232 308 G C -0.171 175.017 174.900 0.480 0.000 0.986 308 G CA 0.279 45.614 45.100 0.392 0.000 0.643 308 G HN 0.831 nan 8.290 nan 0.000 0.522 309 D N 0.166 120.705 120.400 0.232 0.000 2.193 309 D HA 0.582 5.222 4.640 0.001 0.000 0.249 309 D C 0.369 176.846 176.300 0.294 0.000 1.034 309 D CA -0.225 53.923 54.000 0.247 0.000 0.902 309 D CB 2.067 42.969 40.800 0.171 0.000 1.182 309 D HN 0.112 nan 8.370 nan 0.000 0.436 310 V N 1.072 121.111 119.914 0.207 0.000 2.532 310 V HA 0.743 4.864 4.120 0.001 0.000 0.295 310 V C 0.872 176.922 176.094 -0.073 0.000 1.041 310 V CA -0.395 61.867 62.300 -0.063 0.000 0.926 310 V CB 1.660 33.405 31.823 -0.129 0.000 0.992 310 V HN 0.636 nan 8.190 nan 0.000 0.457 311 G N 2.237 110.832 108.800 -0.342 0.000 2.816 311 G HA2 0.707 4.667 3.960 0.001 0.000 0.288 311 G HA3 0.707 4.667 3.960 0.001 0.000 0.288 311 G C -2.217 172.505 174.900 -0.297 0.000 1.334 311 G CA -0.541 44.394 45.100 -0.275 0.000 0.978 311 G HN 0.503 nan 8.290 nan 0.000 0.493 312 Y N -1.194 118.895 120.300 -0.352 0.000 2.558 312 Y HA 0.500 5.051 4.550 0.002 0.000 0.333 312 Y C -1.200 174.565 175.900 -0.224 0.000 1.125 312 Y CA -0.711 57.224 58.100 -0.273 0.000 1.039 312 Y CB 2.363 40.707 38.460 -0.193 0.000 1.331 312 Y HN 0.479 nan 8.280 nan 0.000 0.456 313 V N 6.153 125.806 119.914 -0.435 0.000 2.462 313 V HA 0.382 4.503 4.120 0.001 0.000 0.288 313 V C -2.530 173.472 176.094 -0.155 0.000 1.020 313 V CA -1.953 60.188 62.300 -0.264 0.000 0.857 313 V CB 1.397 32.938 31.823 -0.471 0.000 1.013 313 V HN 0.571 nan 8.190 nan 0.000 0.431 314 P HA 0.038 nan 4.420 nan 0.000 0.267 314 P C -0.046 177.443 177.300 0.315 0.000 1.200 314 P CA -0.240 63.103 63.100 0.406 0.000 0.772 314 P CB 0.286 32.199 31.700 0.355 0.000 0.855 315 F N 3.665 123.658 119.950 0.071 0.000 2.395 315 F HA -0.026 4.500 4.527 -0.003 0.000 0.421 315 F C 1.268 177.069 175.800 0.001 0.000 0.942 315 F CA 0.745 58.663 58.000 -0.138 0.000 1.107 315 F CB -1.352 37.365 39.000 -0.471 0.000 0.895 315 F HN 0.688 nan 8.300 nan 0.000 0.522 316 A N 4.494 127.517 122.820 0.338 0.000 3.383 316 A HA -0.303 4.018 4.320 0.001 0.000 0.264 316 A C 0.877 178.456 177.584 -0.009 0.000 1.154 316 A CA 1.032 53.131 52.037 0.104 0.000 1.179 316 A CB -2.400 16.382 19.000 -0.364 0.000 1.133 316 A HN 0.696 nan 8.150 nan 0.000 0.933 317 M N 0.410 120.073 119.600 0.104 0.000 2.238 317 M HA 0.379 4.859 4.480 0.001 0.000 0.347 317 M C 1.164 177.657 176.300 0.322 0.000 1.173 317 M CA 0.850 56.207 55.300 0.096 0.000 1.147 317 M CB 0.564 33.215 32.600 0.086 0.000 1.547 317 M HN 0.630 nan 8.290 nan 0.000 0.455 318 G N 2.705 111.697 108.800 0.320 0.000 2.442 318 G HA2 0.419 4.379 3.960 0.001 0.000 0.249 318 G HA3 0.419 4.379 3.960 0.001 0.000 0.249 318 G C -0.609 174.551 174.900 0.433 0.000 1.263 318 G CA -0.288 45.049 45.100 0.395 0.000 0.846 318 G HN 0.934 nan 8.290 nan 0.000 0.555 319 H N -0.455 118.710 119.070 0.159 0.000 2.967 319 H HA 0.492 5.049 4.556 0.002 0.000 0.318 319 H C -1.756 173.686 175.328 0.190 0.000 1.375 319 H CA -1.092 55.024 56.048 0.114 0.000 1.132 319 H CB 1.052 30.823 29.762 0.014 0.000 1.848 319 H HN 0.755 nan 8.280 nan 0.000 0.524 320 Y N -0.934 119.534 120.300 0.279 0.000 2.615 320 Y HA 0.683 5.234 4.550 0.002 0.000 0.341 320 Y C -1.888 174.199 175.900 0.311 0.000 1.089 320 Y CA -1.233 57.041 58.100 0.290 0.000 1.049 320 Y CB 1.515 40.108 38.460 0.220 0.000 1.296 320 Y HN 0.423 nan 8.280 nan 0.000 0.470 321 V N 1.858 121.989 119.914 0.361 0.000 2.447 321 V HA 0.332 4.452 4.120 0.001 0.000 0.292 321 V C -0.735 175.568 176.094 0.348 0.000 1.021 321 V CA -0.755 61.657 62.300 0.188 0.000 0.850 321 V CB 1.208 33.029 31.823 -0.003 0.000 1.005 321 V HN 0.861 nan 8.190 nan 0.000 0.426 322 E N 3.962 124.385 120.200 0.371 0.000 2.197 322 E HA 0.267 4.618 4.350 0.001 0.000 0.281 322 E C -0.312 176.428 176.600 0.233 0.000 0.995 322 E CA -0.689 55.915 56.400 0.340 0.000 0.808 322 E CB 0.993 30.929 29.700 0.394 0.000 1.093 322 E HN 0.664 nan 8.360 nan 0.000 0.394 323 N N 4.653 123.477 118.700 0.207 0.000 2.452 323 N HA 0.022 4.763 4.740 0.001 0.000 0.266 323 N C 0.315 175.903 175.510 0.130 0.000 1.175 323 N CA 0.081 53.233 53.050 0.168 0.000 0.945 323 N CB 0.439 39.023 38.487 0.162 0.000 1.063 323 N HN 0.613 nan 8.380 nan 0.000 0.472 324 I N 0.526 121.160 120.570 0.107 0.000 3.927 324 I HA 0.527 4.698 4.170 0.001 0.000 0.332 324 I C 0.623 176.777 176.117 0.062 0.000 1.485 324 I CA -0.670 60.678 61.300 0.080 0.000 1.131 324 I CB 0.386 38.427 38.000 0.069 0.000 1.092 324 I HN 0.287 nan 8.210 nan 0.000 0.410 325 G N 1.287 110.129 108.800 0.069 0.000 3.042 325 G HA2 0.356 4.317 3.960 0.001 0.000 0.278 325 G HA3 0.356 4.317 3.960 0.001 0.000 0.278 325 G C -0.382 174.554 174.900 0.060 0.000 1.371 325 G CA 0.082 45.217 45.100 0.058 0.000 1.009 325 G HN 0.276 nan 8.290 nan 0.000 0.523 326 D N -1.219 119.213 120.400 0.053 0.000 2.349 326 D HA 0.106 4.747 4.640 0.001 0.000 0.214 326 D C 0.270 176.603 176.300 0.055 0.000 1.063 326 D CA 0.289 54.319 54.000 0.050 0.000 0.847 326 D CB 0.454 41.278 40.800 0.040 0.000 0.933 326 D HN 0.226 nan 8.370 nan 0.000 0.513 327 E N 0.760 120.998 120.200 0.064 0.000 2.249 327 E HA 0.407 4.758 4.350 0.001 0.000 0.263 327 E C -2.527 174.125 176.600 0.086 0.000 0.950 327 E CA -2.309 54.133 56.400 0.070 0.000 0.827 327 E CB 0.855 30.596 29.700 0.070 0.000 1.220 327 E HN -0.032 nan 8.360 nan 0.000 0.411 328 P HA -0.022 nan 4.420 nan 0.000 0.265 328 P C -0.473 176.906 177.300 0.132 0.000 1.187 328 P CA -0.106 63.058 63.100 0.106 0.000 0.766 328 P CB 0.280 32.038 31.700 0.096 0.000 0.820 329 L N 4.927 126.251 121.223 0.167 0.000 2.272 329 L HA 0.474 4.815 4.340 0.001 0.000 0.289 329 L C -1.148 175.870 176.870 0.247 0.000 1.032 329 L CA -0.255 54.725 54.840 0.234 0.000 0.810 329 L CB 1.165 43.398 42.059 0.290 0.000 1.205 329 L HN 0.046 nan 8.230 nan 0.000 0.422 330 V N 6.953 127.006 119.914 0.232 0.000 2.483 330 V HA 0.608 4.729 4.120 0.001 0.000 0.297 330 V C -0.475 175.704 176.094 0.141 0.000 1.027 330 V CA -0.407 61.970 62.300 0.127 0.000 0.855 330 V CB 1.006 32.880 31.823 0.086 0.000 0.995 330 V HN 0.731 nan 8.190 nan 0.000 0.424 331 F N 3.381 123.259 119.950 -0.120 0.000 2.662 331 F HA 0.877 5.404 4.527 0.001 0.000 0.312 331 F C -1.512 174.156 175.800 -0.221 0.000 1.113 331 F CA -1.387 56.428 58.000 -0.309 0.000 0.951 331 F CB 1.608 40.173 39.000 -0.724 0.000 1.344 331 F HN 0.234 nan 8.300 nan 0.000 0.462 332 L N 1.541 122.725 121.223 -0.065 0.000 2.325 332 L HA 0.527 4.868 4.340 0.001 0.000 0.278 332 L C -0.830 176.062 176.870 0.036 0.000 1.023 332 L CA -0.697 54.110 54.840 -0.054 0.000 0.811 332 L CB 1.946 44.039 42.059 0.057 0.000 1.249 332 L HN 0.681 nan 8.230 nan 0.000 0.431 333 E N 4.086 124.296 120.200 0.017 0.000 2.129 333 E HA 0.501 4.852 4.350 0.001 0.000 0.268 333 E C -1.047 175.433 176.600 -0.200 0.000 0.900 333 E CA -0.541 55.846 56.400 -0.022 0.000 0.755 333 E CB 2.004 31.881 29.700 0.295 0.000 1.117 333 E HN 0.260 nan 8.360 nan 0.000 0.410 334 I N 3.337 123.610 120.570 -0.495 0.000 2.530 334 I HA 0.467 4.638 4.170 0.001 0.000 0.297 334 I C -0.587 174.980 176.117 -0.917 0.000 1.011 334 I CA -0.788 60.194 61.300 -0.531 0.000 1.107 334 I CB 0.828 38.626 38.000 -0.337 0.000 1.285 334 I HN 0.468 nan 8.210 nan 0.000 0.436 335 F N 3.147 122.959 119.950 -0.230 0.000 2.569 335 F HA 0.371 4.898 4.527 0.000 0.000 0.312 335 F C 0.448 176.125 175.800 -0.205 0.000 1.109 335 F CA -0.898 56.970 58.000 -0.221 0.000 0.919 335 F CB 1.866 40.698 39.000 -0.281 0.000 1.211 335 F HN 0.289 nan 8.300 nan 0.000 0.446 336 K N 2.952 123.350 120.400 -0.003 0.000 2.150 336 K HA 0.268 4.588 4.320 0.001 0.000 0.261 336 K C -1.370 175.205 176.600 -0.042 0.000 1.127 336 K CA 0.224 56.496 56.287 -0.024 0.000 0.989 336 K CB -0.087 32.413 32.500 -0.001 0.000 1.475 336 K HN 0.700 nan 8.250 nan 0.000 0.391 337 D N 0.872 121.232 120.400 -0.067 0.000 2.671 337 D HA -0.011 4.629 4.640 0.001 0.000 0.273 337 D C -0.455 175.779 176.300 -0.110 0.000 1.264 337 D CA -0.417 53.509 54.000 -0.123 0.000 0.788 337 D CB 1.267 41.905 40.800 -0.270 0.000 1.324 337 D HN 0.479 nan 8.370 nan 0.000 0.424 338 D N -0.559 119.800 120.400 -0.068 0.000 2.340 338 D HA -0.003 4.637 4.640 0.001 0.000 0.220 338 D C 0.375 176.706 176.300 0.052 0.000 1.039 338 D CA 0.753 54.739 54.000 -0.024 0.000 0.866 338 D CB -0.141 40.661 40.800 0.003 0.000 0.913 338 D HN 0.473 nan 8.370 nan 0.000 0.523 339 H N -3.227 115.785 119.070 -0.097 0.000 3.042 339 H HA 0.311 4.868 4.556 0.001 0.000 0.346 339 H C -1.960 173.302 175.328 -0.110 0.000 1.294 339 H CA -1.108 54.893 56.048 -0.079 0.000 1.141 339 H CB 0.115 29.830 29.762 -0.078 0.000 1.872 339 H HN -0.042 nan 8.280 nan 0.000 0.541 340 Y N 1.535 121.721 120.300 -0.190 0.000 2.308 340 Y HA 0.597 5.148 4.550 0.002 0.000 0.329 340 Y C -0.958 174.841 175.900 -0.168 0.000 1.111 340 Y CA 0.176 58.077 58.100 -0.332 0.000 1.179 340 Y CB 0.921 39.274 38.460 -0.178 0.000 1.201 340 Y HN 0.930 nan 8.280 nan 0.000 0.483 341 A N 5.385 127.832 122.820 -0.621 0.000 2.488 341 A HA 0.574 4.895 4.320 0.001 0.000 0.298 341 A C -1.917 175.423 177.584 -0.407 0.000 1.044 341 A CA -0.664 51.210 52.037 -0.272 0.000 0.693 341 A CB 1.176 20.134 19.000 -0.070 0.000 1.272 341 A HN 0.742 nan 8.150 nan 0.000 0.402 342 D N 0.355 120.589 120.400 -0.277 0.000 2.581 342 D HA 0.568 5.208 4.640 0.001 0.000 0.232 342 D C -1.296 174.748 176.300 -0.427 0.000 1.143 342 D CA -0.599 53.164 54.000 -0.395 0.000 0.881 342 D CB 1.584 42.182 40.800 -0.336 0.000 1.500 342 D HN 0.331 nan 8.370 nan 0.000 0.458 343 V N 0.689 120.178 119.914 -0.708 0.000 2.409 343 V HA 0.453 4.574 4.120 0.001 0.000 0.291 343 V C 0.175 175.888 176.094 -0.636 0.000 1.020 343 V CA -0.813 60.982 62.300 -0.842 0.000 0.848 343 V CB 1.238 32.098 31.823 -1.605 0.000 0.990 343 V HN 0.699 nan 8.190 nan 0.000 0.430 344 S N 4.045 119.561 115.700 -0.306 0.000 2.513 344 S HA 0.293 4.764 4.470 0.001 0.000 0.276 344 S C 0.844 175.477 174.600 0.055 0.000 1.254 344 S CA -0.589 57.557 58.200 -0.089 0.000 1.053 344 S CB 1.000 64.166 63.200 -0.058 0.000 0.958 344 S HN 0.675 nan 8.310 nan 0.000 0.491 345 L N 5.844 127.184 121.223 0.194 0.000 2.012 345 L HA -0.061 4.280 4.340 0.001 0.000 0.210 345 L C 2.244 179.268 176.870 0.257 0.000 1.073 345 L CA 2.099 57.168 54.840 0.381 0.000 0.748 345 L CB -1.214 41.053 42.059 0.347 0.000 0.891 345 L HN 0.853 nan 8.230 nan 0.000 0.431 346 N N -0.332 118.457 118.700 0.148 0.000 2.043 346 N HA -0.286 4.455 4.740 0.001 0.000 0.193 346 N C 1.976 177.519 175.510 0.055 0.000 1.037 346 N CA 2.090 55.185 53.050 0.074 0.000 0.851 346 N CB -0.307 38.210 38.487 0.050 0.000 1.027 346 N HN 0.656 nan 8.380 nan 0.000 0.422 347 Q N -1.138 118.693 119.800 0.052 0.000 2.084 347 Q HA -0.168 4.172 4.340 0.001 0.000 0.202 347 Q C 1.941 178.017 176.000 0.127 0.000 0.978 347 Q CA 1.510 57.334 55.803 0.035 0.000 0.844 347 Q CB -0.377 28.349 28.738 -0.020 0.000 0.898 347 Q HN 0.525 nan 8.270 nan 0.000 0.426 348 W N 1.263 122.540 121.300 -0.037 0.000 2.315 348 W HA -0.234 4.428 4.660 0.002 0.000 0.323 348 W C 1.536 178.073 176.519 0.030 0.000 1.233 348 W CA 1.662 59.007 57.345 -0.000 0.000 1.267 348 W CB -0.809 28.672 29.460 0.034 0.000 1.160 348 W HN 0.178 nan 8.180 nan 0.000 0.474 349 L N 0.719 121.899 121.223 -0.072 0.000 2.093 349 L HA -0.128 4.213 4.340 0.001 0.000 0.208 349 L C 2.658 179.482 176.870 -0.077 0.000 1.085 349 L CA 1.305 56.005 54.840 -0.233 0.000 0.755 349 L CB -1.527 40.412 42.059 -0.199 0.000 0.904 349 L HN 0.087 nan 8.230 nan 0.000 0.435 350 A N -0.471 122.333 122.820 -0.027 0.000 2.019 350 A HA -0.153 4.167 4.320 0.001 0.000 0.219 350 A C 2.062 179.647 177.584 0.003 0.000 1.164 350 A CA 1.325 53.349 52.037 -0.023 0.000 0.644 350 A CB -0.245 18.739 19.000 -0.025 0.000 0.805 350 A HN 0.311 nan 8.150 nan 0.000 0.449 351 M N -0.444 119.177 119.600 0.035 0.000 2.453 351 M HA 0.369 4.850 4.480 0.001 0.000 0.239 351 M C -0.202 176.135 176.300 0.062 0.000 1.151 351 M CA 0.330 55.661 55.300 0.052 0.000 0.989 351 M CB -0.837 31.810 32.600 0.079 0.000 1.548 351 M HN 0.215 nan 8.290 nan 0.000 0.479 352 L N 0.326 121.578 121.223 0.049 0.000 2.322 352 L HA 0.489 4.830 4.340 0.001 0.000 0.269 352 L C -2.022 174.887 176.870 0.064 0.000 1.012 352 L CA -2.043 52.838 54.840 0.069 0.000 0.815 352 L CB 1.018 43.133 42.059 0.094 0.000 1.295 352 L HN -0.087 nan 8.230 nan 0.000 0.438 353 P HA -0.009 nan 4.420 nan 0.000 0.264 353 P C 0.243 177.615 177.300 0.119 0.000 1.193 353 P CA -0.130 63.015 63.100 0.075 0.000 0.763 353 P CB 0.434 32.163 31.700 0.048 0.000 0.810 354 E N 1.734 121.980 120.200 0.077 0.000 2.118 354 E HA -0.221 4.130 4.350 0.001 0.000 0.195 354 E C 1.065 177.723 176.600 0.098 0.000 0.992 354 E CA 1.901 58.343 56.400 0.071 0.000 0.804 354 E CB -0.900 28.826 29.700 0.042 0.000 0.741 354 E HN 0.513 nan 8.360 nan 0.000 0.458 355 T N -1.749 112.873 114.554 0.112 0.000 2.951 355 T HA -0.101 4.249 4.350 0.001 0.000 0.268 355 T C 1.627 176.434 174.700 0.179 0.000 1.073 355 T CA 0.558 62.727 62.100 0.116 0.000 1.134 355 T CB -0.435 68.491 68.868 0.097 0.000 0.884 355 T HN 0.201 nan 8.240 nan 0.000 0.479 356 F N 2.175 122.157 119.950 0.052 0.000 2.146 356 F HA 0.076 4.603 4.527 0.001 0.000 0.298 356 F C 2.278 178.173 175.800 0.159 0.000 1.096 356 F CA 0.443 58.503 58.000 0.100 0.000 1.275 356 F CB -0.540 38.506 39.000 0.077 0.000 1.008 356 F HN -0.006 nan 8.300 nan 0.000 0.480 357 V N 0.235 120.206 119.914 0.094 0.000 2.343 357 V HA -0.331 3.790 4.120 0.001 0.000 0.247 357 V C 2.285 178.379 176.094 0.001 0.000 1.051 357 V CA 2.220 64.491 62.300 -0.048 0.000 1.036 357 V CB -0.839 30.971 31.823 -0.021 0.000 0.654 357 V HN 0.363 nan 8.190 nan 0.000 0.451 358 Q N -0.193 119.633 119.800 0.044 0.000 2.124 358 Q HA -0.168 4.172 4.340 0.001 0.000 0.202 358 Q C 2.376 178.368 176.000 -0.013 0.000 0.977 358 Q CA 1.766 57.586 55.803 0.028 0.000 0.850 358 Q CB -0.418 28.347 28.738 0.045 0.000 0.901 358 Q HN 0.686 nan 8.270 nan 0.000 0.429 359 A N 0.094 122.901 122.820 -0.021 0.000 1.969 359 A HA -0.199 4.121 4.320 0.001 0.000 0.218 359 A C 1.409 178.883 177.584 -0.183 0.000 1.169 359 A CA 1.521 53.502 52.037 -0.093 0.000 0.635 359 A CB -0.503 18.433 19.000 -0.107 0.000 0.810 359 A HN 0.349 nan 8.150 nan 0.000 0.445 360 H N -0.464 118.454 119.070 -0.253 0.000 2.333 360 H HA 0.130 4.686 4.556 0.001 0.000 0.302 360 H C 1.652 176.865 175.328 -0.191 0.000 1.075 360 H CA 1.735 57.633 56.048 -0.251 0.000 1.348 360 H CB -0.064 29.503 29.762 -0.325 0.000 1.393 360 H HN 0.360 nan 8.280 nan 0.000 0.509 361 L N -0.004 121.187 121.223 -0.054 0.000 2.567 361 L HA 0.016 4.357 4.340 0.001 0.000 0.225 361 L C -0.043 176.742 176.870 -0.141 0.000 1.119 361 L CA 0.095 54.854 54.840 -0.135 0.000 0.871 361 L CB 0.185 42.110 42.059 -0.223 0.000 1.036 361 L HN 0.250 nan 8.230 nan 0.000 0.459 362 D N 0.902 121.241 120.400 -0.102 0.000 2.811 362 D HA -0.181 4.459 4.640 0.001 0.000 0.231 362 D C -0.220 176.026 176.300 -0.090 0.000 1.157 362 D CA 0.962 54.910 54.000 -0.087 0.000 0.716 362 D CB -1.384 39.365 40.800 -0.085 0.000 1.077 362 D HN 0.274 nan 8.370 nan 0.000 0.428 363 L N -0.965 120.202 121.223 -0.092 0.000 2.279 363 L HA 0.777 5.118 4.340 0.001 0.000 0.262 363 L C 1.443 178.319 176.870 0.010 0.000 1.019 363 L CA -0.772 54.026 54.840 -0.071 0.000 0.823 363 L CB 1.927 43.878 42.059 -0.180 0.000 1.358 363 L HN 0.036 nan 8.230 nan 0.000 0.432 364 G N -0.631 108.199 108.800 0.050 0.000 2.795 364 G HA2 0.256 4.217 3.960 0.001 0.000 0.267 364 G HA3 0.256 4.217 3.960 0.001 0.000 0.267 364 G C 0.288 175.244 174.900 0.093 0.000 1.362 364 G CA -0.394 44.741 45.100 0.059 0.000 1.048 364 G HN 0.644 nan 8.290 nan 0.000 0.547 365 K N -0.782 119.655 120.400 0.061 0.000 2.152 365 K HA -0.116 4.205 4.320 0.001 0.000 0.206 365 K C 1.707 178.336 176.600 0.047 0.000 1.048 365 K CA 1.650 57.966 56.287 0.049 0.000 0.933 365 K CB -0.032 32.485 32.500 0.029 0.000 0.721 365 K HN 0.363 nan 8.250 nan 0.000 0.447 366 D N -0.178 120.258 120.400 0.060 0.000 2.178 366 D HA -0.177 4.464 4.640 0.001 0.000 0.201 366 D C 1.466 177.814 176.300 0.080 0.000 0.980 366 D CA 0.885 54.917 54.000 0.055 0.000 0.842 366 D CB -0.133 40.703 40.800 0.059 0.000 0.948 366 D HN 0.198 nan 8.370 nan 0.000 0.472 367 F N 1.455 121.396 119.950 -0.015 0.000 2.118 367 F HA -0.144 4.384 4.527 0.001 0.000 0.293 367 F C 2.468 178.257 175.800 -0.019 0.000 1.102 367 F CA 1.869 59.858 58.000 -0.019 0.000 1.247 367 F CB -0.679 38.305 39.000 -0.027 0.000 1.017 367 F HN -0.044 nan 8.300 nan 0.000 0.475 368 T N -2.569 111.982 114.554 -0.005 0.000 2.929 368 T HA -0.154 4.196 4.350 0.001 0.000 0.271 368 T C 1.498 176.108 174.700 -0.150 0.000 1.085 368 T CA 1.348 63.383 62.100 -0.109 0.000 1.125 368 T CB -0.626 68.256 68.868 0.024 0.000 0.874 368 T HN 0.168 nan 8.240 nan 0.000 0.494 369 D N 1.527 121.862 120.400 -0.108 0.000 2.218 369 D HA -0.061 4.580 4.640 0.001 0.000 0.204 369 D C 2.261 178.484 176.300 -0.129 0.000 0.976 369 D CA 1.180 55.127 54.000 -0.089 0.000 0.853 369 D CB -0.197 40.573 40.800 -0.049 0.000 0.939 369 D HN 0.566 nan 8.370 nan 0.000 0.481 370 V N -1.470 118.312 119.914 -0.221 0.000 3.306 370 V HA 0.100 4.220 4.120 0.001 0.000 0.264 370 V C 0.999 176.968 176.094 -0.209 0.000 1.149 370 V CA 0.021 62.194 62.300 -0.210 0.000 1.143 370 V CB -0.730 30.948 31.823 -0.241 0.000 0.767 370 V HN -0.050 nan 8.190 nan 0.000 0.476 371 L N 1.917 122.988 121.223 -0.253 0.000 2.461 371 L HA 0.324 4.665 4.340 0.001 0.000 0.272 371 L C 0.558 177.378 176.870 -0.084 0.000 1.197 371 L CA 0.789 55.520 54.840 -0.182 0.000 0.836 371 L CB 0.855 42.806 42.059 -0.179 0.000 1.105 371 L HN 0.327 nan 8.230 nan 0.000 0.477 372 S N 1.044 116.717 115.700 -0.046 0.000 2.502 372 S HA 0.302 4.773 4.470 0.001 0.000 0.304 372 S C 0.537 175.109 174.600 -0.046 0.000 1.097 372 S CA -0.845 57.344 58.200 -0.017 0.000 1.045 372 S CB 1.396 64.628 63.200 0.053 0.000 1.019 372 S HN 0.631 nan 8.310 nan 0.000 0.481 373 K N 2.098 122.473 120.400 -0.041 0.000 2.366 373 K HA 0.057 4.378 4.320 0.001 0.000 0.198 373 K C -0.156 176.392 176.600 -0.086 0.000 1.044 373 K CA 0.699 56.958 56.287 -0.045 0.000 0.973 373 K CB 0.076 32.560 32.500 -0.026 0.000 0.767 373 K HN 0.573 nan 8.250 nan 0.000 0.475 374 E N 1.576 121.691 120.200 -0.141 0.000 2.249 374 E HA 0.105 4.455 4.350 0.001 0.000 0.280 374 E C -0.756 175.543 176.600 -0.503 0.000 1.016 374 E CA -0.339 55.903 56.400 -0.262 0.000 0.830 374 E CB 1.342 30.913 29.700 -0.216 0.000 1.081 374 E HN -0.065 nan 8.360 nan 0.000 0.395 375 K N 3.074 123.241 120.400 -0.389 0.000 2.312 375 K HA 0.093 4.413 4.320 0.001 0.000 0.287 375 K C -0.897 175.450 176.600 -0.422 0.000 1.062 375 K CA -0.405 55.684 56.287 -0.330 0.000 0.934 375 K CB 0.379 32.779 32.500 -0.167 0.000 1.027 375 K HN 0.575 nan 8.250 nan 0.000 0.478 376 H N 5.850 124.907 119.070 -0.021 0.000 2.697 376 H HA 0.170 4.727 4.556 0.001 0.000 0.270 376 H C -2.077 173.240 175.328 -0.018 0.000 1.188 376 H CA -2.473 53.563 56.048 -0.021 0.000 1.322 376 H CB 1.407 31.162 29.762 -0.012 0.000 1.405 376 H HN 0.555 nan 8.280 nan 0.000 0.502 377 P HA -0.124 nan 4.420 nan 0.000 0.219 377 P C 0.217 177.543 177.300 0.043 0.000 1.146 377 P CA 0.870 63.969 63.100 -0.001 0.000 0.808 377 P CB 0.622 32.303 31.700 -0.032 0.000 0.779 378 V N 0.342 120.297 119.914 0.069 0.000 2.443 378 V HA 0.288 4.409 4.120 0.001 0.000 0.293 378 V C 0.039 176.180 176.094 0.079 0.000 1.021 378 V CA -0.988 61.364 62.300 0.086 0.000 0.848 378 V CB 2.061 33.925 31.823 0.068 0.000 0.998 378 V HN -0.183 nan 8.190 nan 0.000 0.424 379 V N 1.828 121.796 119.914 0.090 0.000 2.881 379 V HA 0.851 4.971 4.120 0.001 0.000 0.316 379 V C -0.309 175.818 176.094 0.054 0.000 1.070 379 V CA -0.881 61.456 62.300 0.062 0.000 0.976 379 V CB 1.845 33.712 31.823 0.072 0.000 1.038 379 V HN 0.645 nan 8.190 nan 0.000 0.446 380 K N 2.139 122.556 120.400 0.028 0.000 2.221 380 K HA 0.494 4.815 4.320 0.001 0.000 0.258 380 K C -0.300 176.314 176.600 0.024 0.000 0.944 380 K CA -0.740 55.565 56.287 0.029 0.000 0.823 380 K CB 1.589 34.098 32.500 0.015 0.000 1.113 380 K HN 0.976 nan 8.250 nan 0.000 0.431 381 K N 2.855 123.273 120.400 0.031 0.000 2.382 381 K HA 0.159 4.479 4.320 0.001 0.000 0.275 381 K C 0.225 176.835 176.600 0.016 0.000 1.009 381 K CA 0.164 56.466 56.287 0.025 0.000 0.970 381 K CB 0.580 33.097 32.500 0.029 0.000 0.934 381 K HN 0.445 nan 8.250 nan 0.000 0.479 382 K N 0.000 120.407 120.400 0.012 0.000 2.780 382 K HA 0.000 4.321 4.320 0.001 0.000 0.191 382 K CA 0.000 56.291 56.287 0.008 0.000 0.838 382 K CB 0.000 32.502 32.500 0.004 0.000 1.064 382 K HN 0.000 nan 8.250 nan 0.000 0.543