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 2jdi_1_F DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLA 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 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.818 174.700 0.196 0.000 1.109 9 T CA 0.000 62.168 62.100 0.113 0.000 1.349 9 T CB 0.000 68.919 68.868 0.086 0.000 0.612 10 T N 0.139 114.805 114.554 0.186 0.000 2.893 10 T HA 0.748 5.098 4.350 -0.000 0.000 0.291 10 T C -0.146 174.451 174.700 -0.172 0.000 1.028 10 T CA 0.300 62.444 62.100 0.072 0.000 0.995 10 T CB 1.343 70.206 68.868 -0.008 0.000 1.051 10 T HN 1.276 nan 8.240 nan 0.000 0.470 11 G N 1.980 110.389 108.800 -0.652 0.000 2.816 11 G HA2 0.750 4.710 3.960 -0.000 0.000 0.288 11 G HA3 0.750 4.710 3.960 -0.000 0.000 0.288 11 G C -1.494 173.058 174.900 -0.579 0.000 1.334 11 G CA -1.040 43.339 45.100 -1.202 0.000 0.978 11 G HN 0.819 nan 8.290 nan 0.000 0.493 12 R N -0.601 119.621 120.500 -0.463 0.000 2.628 12 R HA 0.399 4.739 4.340 -0.000 0.000 0.288 12 R C -0.425 175.759 176.300 -0.192 0.000 0.980 12 R CA -0.735 55.217 56.100 -0.247 0.000 0.891 12 R CB 2.501 32.700 30.300 -0.167 0.000 1.188 12 R HN 0.407 nan 8.270 nan 0.000 0.450 13 I N 3.318 123.810 120.570 -0.130 0.000 2.668 13 I HA -0.096 4.074 4.170 -0.000 0.000 0.285 13 I C 1.450 177.528 176.117 -0.064 0.000 1.168 13 I CA 0.257 61.508 61.300 -0.081 0.000 1.424 13 I CB 0.797 38.764 38.000 -0.055 0.000 1.377 13 I HN 0.569 nan 8.210 nan 0.000 0.560 14 V N 2.958 122.843 119.914 -0.048 0.000 3.570 14 V HA 0.596 4.716 4.120 -0.000 0.000 0.257 14 V C 0.542 176.623 176.094 -0.022 0.000 1.272 14 V CA 0.388 62.667 62.300 -0.035 0.000 1.079 14 V CB 0.168 31.972 31.823 -0.031 0.000 0.829 14 V HN 0.728 nan 8.190 nan 0.000 0.454 15 A N -0.222 122.588 122.820 -0.017 0.000 2.574 15 A HA 0.826 5.146 4.320 -0.000 0.000 0.297 15 A C -1.313 176.266 177.584 -0.008 0.000 1.062 15 A CA -0.395 51.636 52.037 -0.011 0.000 0.686 15 A CB 2.255 21.251 19.000 -0.005 0.000 1.285 15 A HN 0.593 nan 8.150 nan 0.000 0.403 16 V N 2.143 122.052 119.914 -0.007 0.000 2.612 16 V HA 0.589 4.709 4.120 -0.000 0.000 0.301 16 V C -1.325 174.766 176.094 -0.005 0.000 1.059 16 V CA -0.210 62.087 62.300 -0.006 0.000 0.886 16 V CB 1.524 33.343 31.823 -0.008 0.000 1.007 16 V HN 0.880 nan 8.190 nan 0.000 0.426 17 I N 4.904 125.472 120.570 -0.004 0.000 2.503 17 I HA 0.793 4.963 4.170 -0.000 0.000 0.282 17 I C 0.670 176.784 176.117 -0.005 0.000 1.059 17 I CA 1.205 62.502 61.300 -0.004 0.000 1.081 17 I CB 0.949 38.946 38.000 -0.004 0.000 1.210 17 I HN 0.912 nan 8.210 nan 0.000 0.450 18 G N 5.944 114.741 108.800 -0.006 0.000 2.660 18 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.321 18 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.321 18 G C 0.977 175.873 174.900 -0.006 0.000 1.246 18 G CA 0.769 45.865 45.100 -0.007 0.000 1.000 18 G HN 1.510 nan 8.290 nan 0.000 0.550 19 A N -0.773 122.043 122.820 -0.008 0.000 2.167 19 A HA 0.526 4.846 4.320 -0.000 0.000 0.214 19 A C 1.159 178.742 177.584 -0.002 0.000 1.151 19 A CA 1.742 53.775 52.037 -0.006 0.000 0.735 19 A CB -0.007 18.986 19.000 -0.012 0.000 0.802 19 A HN 1.330 nan 8.150 nan 0.000 0.467 20 V N 1.316 121.228 119.914 -0.002 0.000 2.364 20 V HA 0.354 4.474 4.120 -0.000 0.000 0.272 20 V C -0.609 175.489 176.094 0.005 0.000 1.036 20 V CA -0.315 61.987 62.300 0.003 0.000 0.880 20 V CB 1.196 33.020 31.823 0.001 0.000 0.991 20 V HN 0.100 nan 8.190 nan 0.000 0.460 21 V N 4.333 124.254 119.914 0.012 0.000 2.444 21 V HA 0.446 4.565 4.120 -0.000 0.000 0.294 21 V C -0.595 175.511 176.094 0.020 0.000 1.022 21 V CA -0.851 61.456 62.300 0.011 0.000 0.850 21 V CB 1.938 33.767 31.823 0.011 0.000 0.992 21 V HN 0.760 nan 8.190 nan 0.000 0.426 22 D N 3.409 123.817 120.400 0.013 0.000 2.210 22 D HA 0.561 5.201 4.640 -0.000 0.000 0.249 22 D C -0.477 175.828 176.300 0.009 0.000 1.078 22 D CA 0.011 54.023 54.000 0.020 0.000 0.875 22 D CB 2.206 43.014 40.800 0.012 0.000 1.175 22 D HN 0.281 nan 8.370 nan 0.000 0.440 23 V N 2.287 122.221 119.914 0.033 0.000 2.577 23 V HA 0.259 4.379 4.120 -0.000 0.000 0.303 23 V C -0.160 175.937 176.094 0.006 0.000 1.042 23 V CA -0.912 61.379 62.300 -0.014 0.000 0.872 23 V CB 1.886 33.718 31.823 0.016 0.000 0.998 23 V HN 0.398 nan 8.190 nan 0.000 0.423 24 Q N 3.031 122.765 119.800 -0.109 0.000 2.241 24 Q HA 0.653 4.993 4.340 -0.000 0.000 0.254 24 Q C -1.850 174.029 176.000 -0.202 0.000 0.917 24 Q CA -0.408 55.361 55.803 -0.057 0.000 0.919 24 Q CB 1.351 30.058 28.738 -0.051 0.000 1.237 24 Q HN 0.627 nan 8.270 nan 0.000 0.434 25 F N 2.189 122.107 119.950 -0.054 0.000 2.482 25 F HA 0.259 4.786 4.527 -0.000 0.000 0.331 25 F C 0.354 176.128 175.800 -0.043 0.000 1.115 25 F CA -0.631 57.340 58.000 -0.049 0.000 0.955 25 F CB 1.902 40.866 39.000 -0.061 0.000 1.136 25 F HN 0.645 nan 8.300 nan 0.000 0.452 26 D N 0.951 121.414 120.400 0.106 0.000 2.301 26 D HA 0.010 4.650 4.640 -0.000 0.000 0.206 26 D C -0.070 176.269 176.300 0.064 0.000 0.979 26 D CA 0.999 55.033 54.000 0.057 0.000 0.874 26 D CB 0.396 41.205 40.800 0.016 0.000 0.968 26 D HN 0.554 nan 8.370 nan 0.000 0.510 27 E N 0.298 120.555 120.200 0.095 0.000 2.402 27 E HA 0.489 4.839 4.350 -0.000 0.000 0.244 27 E C -0.508 176.130 176.600 0.063 0.000 0.945 27 E CA -0.538 55.901 56.400 0.064 0.000 0.774 27 E CB 1.729 31.459 29.700 0.049 0.000 1.296 27 E HN 0.103 nan 8.360 nan 0.000 0.414 28 G N 2.127 110.942 108.800 0.025 0.000 2.999 28 G HA2 -0.200 3.759 3.960 -0.000 0.000 0.686 28 G HA3 -0.200 3.759 3.960 -0.000 0.000 0.686 28 G C -1.216 173.618 174.900 -0.109 0.000 1.057 28 G CA -0.885 44.198 45.100 -0.027 0.000 0.784 28 G HN 0.311 nan 8.290 nan 0.000 0.575 29 L N 5.211 126.327 121.223 -0.180 0.000 2.322 29 L HA 0.769 5.109 4.340 -0.000 0.000 0.281 29 L C -1.534 175.124 176.870 -0.353 0.000 1.014 29 L CA -2.114 52.511 54.840 -0.358 0.000 0.815 29 L CB 1.562 43.444 42.059 -0.294 0.000 1.247 29 L HN 0.549 nan 8.230 nan 0.000 0.421 30 P HA 0.316 nan 4.420 nan 0.000 0.275 30 P C -2.758 174.526 177.300 -0.027 0.000 1.227 30 P CA -1.430 61.489 63.100 -0.300 0.000 0.781 30 P CB 0.194 31.652 31.700 -0.403 0.000 0.906 31 P HA 0.138 nan 4.420 nan 0.000 0.270 31 P C 0.397 177.689 177.300 -0.014 0.000 1.223 31 P CA -0.035 63.069 63.100 0.008 0.000 0.785 31 P CB 0.322 31.993 31.700 -0.048 0.000 0.923 32 I N 2.535 123.034 120.570 -0.118 0.000 2.815 32 I HA -0.138 4.032 4.170 -0.000 0.000 0.291 32 I C 1.391 177.432 176.117 -0.126 0.000 1.209 32 I CA 0.692 61.920 61.300 -0.119 0.000 1.431 32 I CB -0.333 37.557 38.000 -0.183 0.000 1.351 32 I HN 0.464 nan 8.210 nan 0.000 0.585 33 L N 1.836 122.977 121.223 -0.136 0.000 4.800 33 L HA -0.254 4.086 4.340 -0.000 0.000 0.400 33 L C 0.214 177.024 176.870 -0.099 0.000 0.857 33 L CA 0.127 54.838 54.840 -0.214 0.000 1.908 33 L CB -1.590 40.235 42.059 -0.390 0.000 1.598 33 L HN 0.692 nan 8.230 nan 0.000 0.593 34 N N 1.372 120.040 118.700 -0.054 0.000 2.458 34 N HA 0.436 5.176 4.740 -0.000 0.000 0.258 34 N C 0.311 175.826 175.510 0.009 0.000 1.219 34 N CA 0.972 54.009 53.050 -0.022 0.000 0.902 34 N CB 0.894 39.358 38.487 -0.038 0.000 1.076 34 N HN 0.308 nan 8.380 nan 0.000 0.455 35 A N 3.207 126.042 122.820 0.024 0.000 2.354 35 A HA 0.443 4.763 4.320 -0.000 0.000 0.281 35 A C -0.204 177.403 177.584 0.039 0.000 1.174 35 A CA -0.449 51.611 52.037 0.038 0.000 0.828 35 A CB -0.144 18.879 19.000 0.038 0.000 1.099 35 A HN 0.643 nan 8.150 nan 0.000 0.516 36 L N 2.314 123.572 121.223 0.058 0.000 2.331 36 L HA 0.490 4.830 4.340 -0.000 0.000 0.275 36 L C -0.143 176.763 176.870 0.060 0.000 1.022 36 L CA -0.769 54.122 54.840 0.084 0.000 0.812 36 L CB 1.473 43.617 42.059 0.143 0.000 1.257 36 L HN 0.579 nan 8.230 nan 0.000 0.435 37 E N 2.558 122.790 120.200 0.054 0.000 2.113 37 E HA 0.287 4.637 4.350 -0.000 0.000 0.273 37 E C -0.767 175.847 176.600 0.024 0.000 0.924 37 E CA -0.611 55.807 56.400 0.031 0.000 0.764 37 E CB 2.341 32.053 29.700 0.020 0.000 1.104 37 E HN 0.198 nan 8.360 nan 0.000 0.406 38 V N 4.084 124.007 119.914 0.015 0.000 2.521 38 V HA -0.027 4.092 4.120 -0.000 0.000 0.286 38 V C 0.587 176.678 176.094 -0.004 0.000 1.034 38 V CA -0.274 62.026 62.300 0.001 0.000 1.045 38 V CB 0.759 32.581 31.823 -0.001 0.000 0.974 38 V HN 0.469 nan 8.190 nan 0.000 0.480 39 Q N 2.903 122.696 119.800 -0.012 0.000 2.288 39 Q HA 0.435 4.775 4.340 -0.000 0.000 0.254 39 Q C 1.048 177.040 176.000 -0.014 0.000 0.932 39 Q CA 0.614 56.410 55.803 -0.013 0.000 0.902 39 Q CB 1.254 29.981 28.738 -0.018 0.000 1.203 39 Q HN 1.152 nan 8.270 nan 0.000 0.415 40 G N 2.372 111.166 108.800 -0.010 0.000 2.142 40 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.225 40 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.225 40 G C -0.158 174.737 174.900 -0.008 0.000 1.015 40 G CA -0.404 44.690 45.100 -0.010 0.000 0.716 40 G HN 0.346 nan 8.290 nan 0.000 0.508 41 R N 0.022 120.519 120.500 -0.005 0.000 2.540 41 R HA 0.461 4.801 4.340 -0.000 0.000 0.287 41 R C 1.069 177.367 176.300 -0.002 0.000 0.980 41 R CA -0.794 55.304 56.100 -0.004 0.000 0.966 41 R CB 0.983 31.282 30.300 -0.002 0.000 1.106 41 R HN 0.205 nan 8.270 nan 0.000 0.480 42 E N 0.763 120.962 120.200 -0.002 0.000 2.150 42 E HA -0.063 4.287 4.350 -0.000 0.000 0.193 42 E C 0.491 177.092 176.600 0.001 0.000 0.985 42 E CA 1.274 57.673 56.400 -0.001 0.000 0.814 42 E CB 0.074 29.774 29.700 -0.001 0.000 0.752 42 E HN 0.680 nan 8.360 nan 0.000 0.466 43 T N -1.555 113.000 114.554 0.001 0.000 2.887 43 T HA 0.457 4.807 4.350 -0.000 0.000 0.288 43 T C 0.010 174.713 174.700 0.004 0.000 1.021 43 T CA -1.008 61.094 62.100 0.003 0.000 1.000 43 T CB 2.515 71.385 68.868 0.004 0.000 1.034 43 T HN -0.095 nan 8.240 nan 0.000 0.467 44 R N 1.183 121.686 120.500 0.005 0.000 2.486 44 R HA 0.191 4.531 4.340 -0.000 0.000 0.303 44 R C -0.913 175.393 176.300 0.009 0.000 0.958 44 R CA -0.349 55.755 56.100 0.007 0.000 1.077 44 R CB -0.193 30.111 30.300 0.008 0.000 0.921 44 R HN 0.575 nan 8.270 nan 0.000 0.406 45 L N 6.388 127.616 121.223 0.009 0.000 2.294 45 L HA 0.332 4.672 4.340 -0.000 0.000 0.283 45 L C -1.211 175.669 176.870 0.016 0.000 1.015 45 L CA -0.488 54.358 54.840 0.011 0.000 0.831 45 L CB 1.768 43.831 42.059 0.008 0.000 1.217 45 L HN 0.352 nan 8.230 nan 0.000 0.420 46 V N 6.291 126.217 119.914 0.021 0.000 2.439 46 V HA 0.440 4.560 4.120 -0.000 0.000 0.282 46 V C 0.104 176.218 176.094 0.033 0.000 1.039 46 V CA -0.531 61.786 62.300 0.028 0.000 0.913 46 V CB 1.528 33.370 31.823 0.031 0.000 0.983 46 V HN 0.579 nan 8.190 nan 0.000 0.460 47 L N 4.217 125.465 121.223 0.042 0.000 2.322 47 L HA 0.607 4.947 4.340 -0.000 0.000 0.281 47 L C 0.023 176.925 176.870 0.053 0.000 1.014 47 L CA -0.358 54.510 54.840 0.046 0.000 0.815 47 L CB 1.706 43.797 42.059 0.053 0.000 1.247 47 L HN 0.637 nan 8.230 nan 0.000 0.421 48 E N 2.420 122.650 120.200 0.050 0.000 2.156 48 E HA 0.330 4.680 4.350 -0.000 0.000 0.279 48 E C -1.014 175.608 176.600 0.036 0.000 0.965 48 E CA -0.804 55.626 56.400 0.049 0.000 0.789 48 E CB 1.828 31.570 29.700 0.071 0.000 1.098 48 E HN 0.355 nan 8.360 nan 0.000 0.397 49 V N 4.394 124.324 119.914 0.027 0.000 2.485 49 V HA 0.058 4.178 4.120 -0.000 0.000 0.287 49 V C 0.916 177.014 176.094 0.007 0.000 1.022 49 V CA 0.915 63.235 62.300 0.034 0.000 1.067 49 V CB 0.627 32.473 31.823 0.038 0.000 0.967 49 V HN 0.880 nan 8.190 nan 0.000 0.479 50 A N 4.357 127.191 122.820 0.024 0.000 2.013 50 A HA 0.325 4.645 4.320 -0.000 0.000 0.204 50 A C 0.716 178.304 177.584 0.007 0.000 1.262 50 A CA 0.238 52.276 52.037 0.002 0.000 0.800 50 A CB 0.375 19.379 19.000 0.007 0.000 0.909 50 A HN 0.764 nan 8.150 nan 0.000 0.472 51 Q N -1.011 118.822 119.800 0.056 0.000 2.462 51 Q HA 0.388 4.728 4.340 -0.000 0.000 0.285 51 Q C -1.662 174.467 176.000 0.216 0.000 1.035 51 Q CA -0.599 55.249 55.803 0.074 0.000 0.799 51 Q CB 1.791 30.560 28.738 0.052 0.000 1.452 51 Q HN 0.605 nan 8.270 nan 0.000 0.404 52 H N 1.651 120.714 119.070 -0.012 0.000 2.556 52 H HA 0.247 4.803 4.556 -0.000 0.000 0.310 52 H C 0.505 175.834 175.328 0.002 0.000 1.057 52 H CA -0.282 55.762 56.048 -0.006 0.000 1.264 52 H CB 1.161 30.912 29.762 -0.017 0.000 1.404 52 H HN 0.440 nan 8.280 nan 0.000 0.462 53 L N 2.827 124.105 121.223 0.090 0.000 2.418 53 L HA 0.164 4.503 4.340 -0.000 0.000 0.218 53 L C 1.137 178.031 176.870 0.040 0.000 1.125 53 L CA 0.531 55.403 54.840 0.054 0.000 0.835 53 L CB 0.082 42.162 42.059 0.035 0.000 0.953 53 L HN 0.903 nan 8.230 nan 0.000 0.454 54 G N 0.115 108.935 108.800 0.034 0.000 2.612 54 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.686 54 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.686 54 G C -0.113 174.790 174.900 0.006 0.000 1.274 54 G CA -0.546 44.566 45.100 0.020 0.000 0.849 54 G HN 0.289 nan 8.290 nan 0.000 0.595 55 E N -0.704 119.498 120.200 0.004 0.000 2.269 55 E HA -0.179 4.171 4.350 -0.000 0.000 0.223 55 E C 1.077 177.677 176.600 -0.000 0.000 1.244 55 E CA 1.044 57.445 56.400 0.002 0.000 0.713 55 E CB -1.508 28.194 29.700 0.004 0.000 1.178 55 E HN 2.019 nan 8.360 nan 0.000 0.370 56 S N -2.102 113.591 115.700 -0.011 0.000 3.445 56 S HA -0.221 4.249 4.470 -0.000 0.000 0.319 56 S C 0.181 174.794 174.600 0.021 0.000 1.209 56 S CA 1.491 59.687 58.200 -0.008 0.000 0.934 56 S CB -1.010 62.203 63.200 0.022 0.000 0.999 56 S HN 0.480 nan 8.310 nan 0.000 0.582 57 T N 1.692 116.244 114.554 -0.003 0.000 2.807 57 T HA 0.604 4.954 4.350 -0.000 0.000 0.279 57 T C 0.272 174.972 174.700 0.000 0.000 0.993 57 T CA -0.347 61.769 62.100 0.026 0.000 0.970 57 T CB 1.744 70.623 68.868 0.017 0.000 0.950 57 T HN 0.482 nan 8.240 nan 0.000 0.441 58 V N 1.675 121.619 119.914 0.051 0.000 2.630 58 V HA 0.740 4.860 4.120 -0.000 0.000 0.305 58 V C -0.120 176.020 176.094 0.077 0.000 1.046 58 V CA -1.357 60.974 62.300 0.051 0.000 0.934 58 V CB 1.541 33.397 31.823 0.055 0.000 1.003 58 V HN 0.836 nan 8.190 nan 0.000 0.451 59 R N 2.330 122.875 120.500 0.075 0.000 2.312 59 R HA 0.707 5.047 4.340 -0.000 0.000 0.311 59 R C -0.066 176.269 176.300 0.058 0.000 1.004 59 R CA 0.331 56.465 56.100 0.056 0.000 0.902 59 R CB 1.388 31.714 30.300 0.043 0.000 1.073 59 R HN 1.179 nan 8.270 nan 0.000 0.457 60 T N 1.142 115.725 114.554 0.049 0.000 2.916 60 T HA 0.559 4.909 4.350 -0.000 0.000 0.292 60 T C -0.187 174.530 174.700 0.029 0.000 1.064 60 T CA -0.860 61.268 62.100 0.046 0.000 1.011 60 T CB 1.170 70.075 68.868 0.061 0.000 1.152 60 T HN 0.427 nan 8.240 nan 0.000 0.510 61 I N 1.684 122.270 120.570 0.027 0.000 2.406 61 I HA 0.590 4.760 4.170 -0.000 0.000 0.290 61 I C 0.593 176.723 176.117 0.021 0.000 0.999 61 I CA -1.131 60.179 61.300 0.017 0.000 1.124 61 I CB 1.639 39.645 38.000 0.010 0.000 1.289 61 I HN 0.979 nan 8.210 nan 0.000 0.441 62 A N 6.959 129.788 122.820 0.014 0.000 2.371 62 A HA 0.441 4.761 4.320 -0.000 0.000 0.257 62 A C 0.748 178.341 177.584 0.014 0.000 1.089 62 A CA -0.246 51.801 52.037 0.015 0.000 0.794 62 A CB 0.461 19.466 19.000 0.010 0.000 1.029 62 A HN 0.760 nan 8.150 nan 0.000 0.488 63 M N 0.724 120.335 119.600 0.019 0.000 2.428 63 M HA 0.195 4.675 4.480 -0.000 0.000 0.239 63 M C -0.130 176.179 176.300 0.015 0.000 1.121 63 M CA 0.584 55.895 55.300 0.019 0.000 1.019 63 M CB -0.877 31.738 32.600 0.025 0.000 1.485 63 M HN 0.801 nan 8.290 nan 0.000 0.484 64 D N -1.172 119.235 120.400 0.012 0.000 2.768 64 D HA 0.431 5.071 4.640 -0.000 0.000 0.327 64 D C -0.539 175.765 176.300 0.006 0.000 1.302 64 D CA -0.190 53.816 54.000 0.009 0.000 0.897 64 D CB 1.263 42.069 40.800 0.010 0.000 1.420 64 D HN 0.112 nan 8.370 nan 0.000 0.494 65 G N -0.809 107.994 108.800 0.004 0.000 2.484 65 G HA2 0.318 4.278 3.960 -0.000 0.000 0.235 65 G HA3 0.318 4.278 3.960 -0.000 0.000 0.235 65 G C 0.818 175.718 174.900 0.001 0.000 1.282 65 G CA 0.683 45.784 45.100 0.002 0.000 0.857 65 G HN 0.399 nan 8.290 nan 0.000 0.571 66 T N -1.400 113.154 114.554 -0.001 0.000 3.092 66 T HA 0.158 4.508 4.350 -0.000 0.000 0.258 66 T C 0.726 175.424 174.700 -0.003 0.000 1.031 66 T CA -0.005 62.094 62.100 -0.002 0.000 0.925 66 T CB 0.063 68.930 68.868 -0.002 0.000 1.036 66 T HN 0.653 nan 8.240 nan 0.000 0.544 67 E N 1.863 122.061 120.200 -0.003 0.000 2.452 67 E HA 0.291 4.640 4.350 -0.000 0.000 0.261 67 E C 1.153 177.751 176.600 -0.005 0.000 0.987 67 E CA 0.746 57.144 56.400 -0.004 0.000 0.926 67 E CB 0.167 29.865 29.700 -0.003 0.000 0.934 67 E HN 0.488 nan 8.360 nan 0.000 0.452 68 G N 2.820 111.616 108.800 -0.006 0.000 2.217 68 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.246 68 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.246 68 G C 0.329 175.224 174.900 -0.009 0.000 0.990 68 G CA 0.153 45.249 45.100 -0.007 0.000 0.627 68 G HN 0.488 nan 8.290 nan 0.000 0.522 69 L N 1.026 122.244 121.223 -0.009 0.000 2.426 69 L HA 0.504 4.844 4.340 -0.000 0.000 0.271 69 L C 0.537 177.399 176.870 -0.014 0.000 1.169 69 L CA -0.256 54.577 54.840 -0.012 0.000 0.836 69 L CB 1.220 43.272 42.059 -0.012 0.000 1.112 69 L HN 0.010 nan 8.230 nan 0.000 0.465 70 V N 3.237 123.140 119.914 -0.019 0.000 2.735 70 V HA 0.393 4.513 4.120 -0.000 0.000 0.310 70 V C 0.058 176.137 176.094 -0.026 0.000 1.061 70 V CA -0.989 61.300 62.300 -0.020 0.000 0.913 70 V CB 2.040 33.851 31.823 -0.019 0.000 1.005 70 V HN 0.684 nan 8.190 nan 0.000 0.428 71 R N 1.944 122.428 120.500 -0.025 0.000 2.570 71 R HA 0.422 4.762 4.340 -0.000 0.000 0.277 71 R C 1.305 177.583 176.300 -0.037 0.000 1.039 71 R CA 1.039 57.121 56.100 -0.031 0.000 1.065 71 R CB 0.163 30.447 30.300 -0.026 0.000 0.964 71 R HN 1.226 nan 8.270 nan 0.000 0.428 72 G N 1.492 110.263 108.800 -0.049 0.000 2.217 72 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.246 72 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.246 72 G C 0.197 175.060 174.900 -0.061 0.000 0.990 72 G CA 0.095 45.162 45.100 -0.055 0.000 0.627 72 G HN 0.604 nan 8.290 nan 0.000 0.522 73 Q N 1.179 120.945 119.800 -0.056 0.000 2.330 73 Q HA 0.367 4.707 4.340 -0.000 0.000 0.279 73 Q C 0.260 176.214 176.000 -0.077 0.000 1.024 73 Q CA 0.048 55.818 55.803 -0.055 0.000 0.900 73 Q CB 0.406 29.119 28.738 -0.042 0.000 1.221 73 Q HN 0.177 nan 8.270 nan 0.000 0.396 74 K N 2.363 122.720 120.400 -0.071 0.000 2.270 74 K HA 0.300 4.620 4.320 -0.000 0.000 0.276 74 K C -0.984 175.566 176.600 -0.082 0.000 1.023 74 K CA -0.226 56.007 56.287 -0.089 0.000 0.955 74 K CB 1.277 33.738 32.500 -0.065 0.000 0.975 74 K HN 0.405 nan 8.250 nan 0.000 0.471 75 V N 4.320 124.163 119.914 -0.118 0.000 2.686 75 V HA 0.383 4.503 4.120 -0.000 0.000 0.306 75 V C -0.248 175.839 176.094 -0.012 0.000 1.065 75 V CA -0.906 61.354 62.300 -0.067 0.000 0.894 75 V CB 1.960 33.730 31.823 -0.088 0.000 1.004 75 V HN 0.531 nan 8.190 nan 0.000 0.424 76 L N 2.830 124.087 121.223 0.058 0.000 2.325 76 L HA 0.575 4.915 4.340 -0.000 0.000 0.278 76 L C -0.408 176.556 176.870 0.156 0.000 1.023 76 L CA -0.586 54.319 54.840 0.108 0.000 0.811 76 L CB 1.896 43.987 42.059 0.054 0.000 1.249 76 L HN 0.600 nan 8.230 nan 0.000 0.431 77 D N 0.642 121.152 120.400 0.184 0.000 2.317 77 D HA 0.060 4.700 4.640 -0.000 0.000 0.252 77 D C 1.007 177.331 176.300 0.039 0.000 1.174 77 D CA -0.145 53.911 54.000 0.093 0.000 0.866 77 D CB 1.522 42.330 40.800 0.013 0.000 1.127 77 D HN 0.532 nan 8.370 nan 0.000 0.467 78 S N 2.570 118.282 115.700 0.021 0.000 2.522 78 S HA 0.128 4.598 4.470 -0.000 0.000 0.227 78 S C 1.676 176.267 174.600 -0.014 0.000 0.986 78 S CA 0.477 58.677 58.200 -0.001 0.000 0.929 78 S CB -0.198 62.999 63.200 -0.006 0.000 0.769 78 S HN 0.913 nan 8.310 nan 0.000 0.529 79 G N 0.275 109.064 108.800 -0.017 0.000 2.143 79 G HA2 0.129 4.089 3.960 -0.000 0.000 0.249 79 G HA3 0.129 4.089 3.960 -0.000 0.000 0.249 79 G C 0.120 175.006 174.900 -0.022 0.000 0.981 79 G CA -0.121 44.964 45.100 -0.025 0.000 0.665 79 G HN 1.615 nan 8.290 nan 0.000 0.528 80 A N -1.231 121.579 122.820 -0.016 0.000 2.601 80 A HA 0.884 5.204 4.320 -0.000 0.000 0.291 80 A C -2.993 174.596 177.584 0.010 0.000 1.075 80 A CA -0.640 51.393 52.037 -0.006 0.000 0.671 80 A CB 1.067 20.063 19.000 -0.007 0.000 1.277 80 A HN 0.108 nan 8.150 nan 0.000 0.417 81 P HA 0.344 nan 4.420 nan 0.000 0.274 81 P C -0.277 177.071 177.300 0.080 0.000 1.260 81 P CA -0.283 62.863 63.100 0.077 0.000 0.793 81 P CB 0.212 32.000 31.700 0.146 0.000 1.048 82 I N 0.772 121.406 120.570 0.108 0.000 2.821 82 I HA -0.108 4.062 4.170 -0.000 0.000 0.294 82 I C 1.116 177.270 176.117 0.062 0.000 1.210 82 I CA 1.062 62.404 61.300 0.071 0.000 1.430 82 I CB -0.235 37.805 38.000 0.067 0.000 1.356 82 I HN 0.136 nan 8.210 nan 0.000 0.563 83 R N 7.327 127.857 120.500 0.051 0.000 2.562 83 R HA 0.715 5.055 4.340 -0.000 0.000 0.298 83 R C -0.639 175.754 176.300 0.155 0.000 0.961 83 R CA -0.758 55.393 56.100 0.084 0.000 0.881 83 R CB 1.982 32.314 30.300 0.053 0.000 1.159 83 R HN 0.600 nan 8.270 nan 0.000 0.450 84 I N -1.177 119.505 120.570 0.186 0.000 2.846 84 I HA 0.660 4.830 4.170 -0.000 0.000 0.307 84 I C -2.629 173.550 176.117 0.103 0.000 1.053 84 I CA -3.418 57.985 61.300 0.172 0.000 1.050 84 I CB 2.389 40.410 38.000 0.035 0.000 1.239 84 I HN 0.303 nan 8.210 nan 0.000 0.439 85 P HA 0.164 nan 4.420 nan 0.000 0.267 85 P C -0.659 176.375 177.300 -0.443 0.000 1.205 85 P CA -0.097 62.645 63.100 -0.596 0.000 0.765 85 P CB 0.915 32.344 31.700 -0.452 0.000 0.828 86 V N 0.381 119.946 119.914 -0.583 0.000 2.914 86 V HA 1.024 5.144 4.120 -0.000 0.000 0.314 86 V C 0.080 175.533 176.094 -1.067 0.000 1.084 86 V CA -0.220 61.657 62.300 -0.704 0.000 0.963 86 V CB 1.395 32.858 31.823 -0.600 0.000 1.025 86 V HN 0.947 nan 8.190 nan 0.000 0.432 87 G N 3.078 111.082 108.800 -1.327 0.000 2.353 87 G HA2 0.091 4.051 3.960 -0.000 0.000 0.615 87 G HA3 0.091 4.051 3.960 -0.000 0.000 0.615 87 G C -2.482 172.194 174.900 -0.374 0.000 1.280 87 G CA -0.069 44.337 45.100 -1.157 0.000 1.000 87 G HN 0.631 nan 8.290 nan 0.000 0.516 88 P HA -0.124 nan 4.420 nan 0.000 0.218 88 P C 1.560 178.853 177.300 -0.012 0.000 1.152 88 P CA 2.086 65.213 63.100 0.044 0.000 0.857 88 P CB 0.072 31.801 31.700 0.049 0.000 0.787 89 E N -1.166 118.987 120.200 -0.080 0.000 2.511 89 E HA -0.053 4.297 4.350 -0.000 0.000 0.196 89 E C 1.313 177.875 176.600 -0.064 0.000 1.066 89 E CA 1.212 57.571 56.400 -0.068 0.000 0.871 89 E CB -1.341 28.304 29.700 -0.091 0.000 0.863 89 E HN 0.377 nan 8.360 nan 0.000 0.520 90 T N -0.837 113.677 114.554 -0.067 0.000 3.023 90 T HA 0.074 4.424 4.350 -0.000 0.000 0.266 90 T C 1.184 175.912 174.700 0.047 0.000 1.093 90 T CA -0.098 61.987 62.100 -0.025 0.000 1.129 90 T CB -0.320 68.519 68.868 -0.048 0.000 0.899 90 T HN 0.028 nan 8.240 nan 0.000 0.491 91 L N 1.966 123.223 121.223 0.057 0.000 2.462 91 L HA 0.450 4.790 4.340 -0.000 0.000 0.272 91 L C 1.699 178.601 176.870 0.054 0.000 1.166 91 L CA 0.758 55.624 54.840 0.044 0.000 0.880 91 L CB 0.176 42.220 42.059 -0.025 0.000 1.142 91 L HN 0.545 nan 8.230 nan 0.000 0.473 92 G N 1.948 110.796 108.800 0.081 0.000 2.179 92 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.260 92 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.260 92 G C 0.392 175.369 174.900 0.130 0.000 0.977 92 G CA -0.308 44.853 45.100 0.102 0.000 0.641 92 G HN 0.470 nan 8.290 nan 0.000 0.533 93 R N -0.074 120.481 120.500 0.091 0.000 2.643 93 R HA 0.755 5.095 4.340 -0.000 0.000 0.272 93 R C 0.364 176.694 176.300 0.049 0.000 0.995 93 R CA -0.892 55.245 56.100 0.061 0.000 1.032 93 R CB 0.792 31.107 30.300 0.025 0.000 1.126 93 R HN 0.334 nan 8.270 nan 0.000 0.505 94 I N 2.901 123.460 120.570 -0.018 0.000 2.404 94 I HA 0.421 4.591 4.170 -0.000 0.000 0.293 94 I C 0.483 176.602 176.117 0.004 0.000 0.992 94 I CA -0.741 60.552 61.300 -0.011 0.000 1.149 94 I CB 1.502 39.412 38.000 -0.150 0.000 1.315 94 I HN 0.402 nan 8.210 nan 0.000 0.446 95 M N 5.142 124.769 119.600 0.045 0.000 2.662 95 M HA 0.529 5.009 4.480 -0.000 0.000 0.310 95 M C -0.993 175.342 176.300 0.058 0.000 1.204 95 M CA -0.644 54.675 55.300 0.033 0.000 0.891 95 M CB 2.118 34.729 32.600 0.018 0.000 1.732 95 M HN 0.654 nan 8.290 nan 0.000 0.467 96 N N 0.578 119.304 118.700 0.043 0.000 2.495 96 N HA 0.271 5.011 4.740 -0.000 0.000 0.294 96 N C 0.505 176.037 175.510 0.037 0.000 1.276 96 N CA -1.034 52.046 53.050 0.051 0.000 0.973 96 N CB 1.288 39.799 38.487 0.040 0.000 1.143 96 N HN 0.537 nan 8.380 nan 0.000 0.589 97 V N 0.081 120.016 119.914 0.034 0.000 2.469 97 V HA -0.180 3.940 4.120 -0.000 0.000 0.251 97 V C 1.799 177.904 176.094 0.018 0.000 1.064 97 V CA 1.675 63.988 62.300 0.022 0.000 1.066 97 V CB -0.851 30.986 31.823 0.023 0.000 0.667 97 V HN 0.666 nan 8.190 nan 0.000 0.461 98 I N -2.472 118.113 120.570 0.026 0.000 3.855 98 I HA 0.529 4.699 4.170 -0.000 0.000 0.327 98 I C 1.297 177.439 176.117 0.041 0.000 1.359 98 I CA 0.565 61.883 61.300 0.031 0.000 1.142 98 I CB -0.254 37.764 38.000 0.029 0.000 1.041 98 I HN 0.269 nan 8.210 nan 0.000 0.403 99 G N 1.190 110.011 108.800 0.036 0.000 2.143 99 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.249 99 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.249 99 G C -0.110 174.819 174.900 0.047 0.000 0.981 99 G CA 0.072 45.197 45.100 0.042 0.000 0.665 99 G HN 0.658 nan 8.290 nan 0.000 0.528 100 E N 1.816 122.040 120.200 0.039 0.000 2.354 100 E HA 0.357 4.707 4.350 -0.000 0.000 0.269 100 E C -2.130 174.481 176.600 0.019 0.000 1.036 100 E CA -1.680 54.739 56.400 0.033 0.000 0.876 100 E CB 1.058 30.773 29.700 0.026 0.000 1.009 100 E HN 0.215 nan 8.360 nan 0.000 0.416 101 P HA -0.003 nan 4.420 nan 0.000 0.271 101 P C -0.003 177.290 177.300 -0.012 0.000 1.220 101 P CA 0.459 63.558 63.100 -0.002 0.000 0.768 101 P CB 0.239 31.940 31.700 0.000 0.000 0.848 102 I N -0.240 120.311 120.570 -0.033 0.000 3.707 102 I HA 0.274 4.444 4.170 -0.000 0.000 0.330 102 I C 0.052 176.109 176.117 -0.100 0.000 1.572 102 I CA -0.326 60.944 61.300 -0.050 0.000 1.104 102 I CB -0.010 37.965 38.000 -0.041 0.000 1.240 102 I HN 0.027 nan 8.210 nan 0.000 0.475 103 D N 0.092 120.434 120.400 -0.097 0.000 2.431 103 D HA 0.041 4.680 4.640 -0.000 0.000 0.213 103 D C 0.445 176.724 176.300 -0.035 0.000 1.130 103 D CA -0.225 53.697 54.000 -0.130 0.000 0.834 103 D CB -0.106 40.589 40.800 -0.174 0.000 0.985 103 D HN 0.446 nan 8.370 nan 0.000 0.504 104 E N -0.167 120.022 120.200 -0.018 0.000 2.586 104 E HA -0.266 4.084 4.350 -0.000 0.000 0.259 104 E C 0.418 177.028 176.600 0.018 0.000 1.107 104 E CA 0.347 56.750 56.400 0.005 0.000 0.754 104 E CB -1.066 28.642 29.700 0.014 0.000 1.335 104 E HN 0.411 nan 8.360 nan 0.000 0.411 105 R N -0.199 120.310 120.500 0.016 0.000 2.432 105 R HA 0.273 4.612 4.340 -0.000 0.000 0.260 105 R C 0.938 177.249 176.300 0.018 0.000 0.935 105 R CA 0.335 56.450 56.100 0.024 0.000 1.080 105 R CB 1.138 31.460 30.300 0.037 0.000 1.155 105 R HN 0.300 nan 8.270 nan 0.000 0.531 106 G N 1.939 110.747 108.800 0.013 0.000 2.660 106 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.215 106 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.215 106 G C -2.570 172.338 174.900 0.013 0.000 1.345 106 G CA -1.256 43.852 45.100 0.013 0.000 0.877 106 G HN 0.005 nan 8.290 nan 0.000 0.549 107 P HA 0.346 nan 4.420 nan 0.000 0.266 107 P C 0.173 177.478 177.300 0.008 0.000 1.195 107 P CA 0.036 63.148 63.100 0.021 0.000 0.768 107 P CB 0.267 31.984 31.700 0.028 0.000 0.838 108 I N 3.569 124.139 120.570 0.001 0.000 2.269 108 I HA 0.087 4.257 4.170 -0.000 0.000 0.293 108 I C 1.056 177.135 176.117 -0.064 0.000 1.106 108 I CA -0.315 60.962 61.300 -0.039 0.000 1.248 108 I CB -0.149 37.814 38.000 -0.062 0.000 1.444 108 I HN 0.189 nan 8.210 nan 0.000 0.497 109 K N 4.778 125.146 120.400 -0.053 0.000 2.222 109 K HA 0.242 4.562 4.320 -0.000 0.000 0.243 109 K C 0.126 176.658 176.600 -0.114 0.000 1.160 109 K CA -0.438 55.819 56.287 -0.050 0.000 1.090 109 K CB -0.445 32.050 32.500 -0.009 0.000 1.694 109 K HN 0.529 nan 8.250 nan 0.000 0.361 110 T N -0.968 113.444 114.554 -0.238 0.000 2.882 110 T HA 0.178 4.528 4.350 -0.000 0.000 0.287 110 T C 0.752 175.306 174.700 -0.243 0.000 1.014 110 T CA -0.738 61.169 62.100 -0.321 0.000 1.049 110 T CB 1.520 70.050 68.868 -0.564 0.000 1.001 110 T HN 0.436 nan 8.240 nan 0.000 0.525 111 K N 0.483 120.769 120.400 -0.190 0.000 2.426 111 K HA 0.116 4.436 4.320 -0.000 0.000 0.193 111 K C -0.014 176.544 176.600 -0.070 0.000 1.028 111 K CA 0.293 56.529 56.287 -0.083 0.000 1.047 111 K CB 0.206 32.681 32.500 -0.042 0.000 0.821 111 K HN 0.561 nan 8.250 nan 0.000 0.513 112 Q N -0.851 118.822 119.800 -0.211 0.000 2.416 112 Q HA 0.486 4.826 4.340 -0.000 0.000 0.281 112 Q C -1.159 174.636 176.000 -0.343 0.000 1.067 112 Q CA -0.568 55.155 55.803 -0.134 0.000 0.809 112 Q CB 1.449 30.119 28.738 -0.114 0.000 1.418 112 Q HN -0.115 nan 8.270 nan 0.000 0.411 113 F N 0.054 119.955 119.950 -0.081 0.000 2.611 113 F HA 0.937 5.464 4.527 -0.000 0.000 0.324 113 F C -0.473 175.292 175.800 -0.059 0.000 1.061 113 F CA -0.927 57.025 58.000 -0.081 0.000 0.954 113 F CB 2.147 41.115 39.000 -0.053 0.000 1.301 113 F HN 0.608 nan 8.300 nan 0.000 0.482 114 A N 0.823 123.716 122.820 0.122 0.000 2.455 114 A HA 0.819 5.139 4.320 -0.000 0.000 0.300 114 A C -1.182 176.442 177.584 0.067 0.000 1.040 114 A CA -0.671 51.407 52.037 0.069 0.000 0.697 114 A CB 0.969 19.981 19.000 0.020 0.000 1.265 114 A HN 1.055 nan 8.150 nan 0.000 0.407 115 A N 1.202 124.059 122.820 0.061 0.000 2.462 115 A HA 0.472 4.792 4.320 -0.000 0.000 0.243 115 A C 1.040 178.640 177.584 0.028 0.000 1.076 115 A CA 0.246 52.319 52.037 0.061 0.000 0.773 115 A CB -0.377 18.670 19.000 0.077 0.000 1.010 115 A HN 1.735 nan 8.150 nan 0.000 0.493 116 I N -1.060 119.504 120.570 -0.010 0.000 3.428 116 I HA 0.095 4.265 4.170 -0.000 0.000 0.286 116 I C 0.134 176.097 176.117 -0.257 0.000 1.287 116 I CA 0.305 61.526 61.300 -0.131 0.000 1.396 116 I CB -0.308 37.585 38.000 -0.178 0.000 1.062 116 I HN 0.479 nan 8.210 nan 0.000 0.471 117 H N 2.520 121.596 119.070 0.011 0.000 2.476 117 H HA 0.800 5.356 4.556 -0.000 0.000 0.328 117 H C -0.546 174.785 175.328 0.004 0.000 1.073 117 H CA -0.345 55.708 56.048 0.008 0.000 1.229 117 H CB 1.705 31.472 29.762 0.009 0.000 1.432 117 H HN 0.387 nan 8.280 nan 0.000 0.477 118 A N 3.304 126.179 122.820 0.093 0.000 2.572 118 A HA 0.347 4.667 4.320 -0.000 0.000 0.295 118 A C -0.467 177.143 177.584 0.044 0.000 1.072 118 A CA -0.915 51.155 52.037 0.054 0.000 0.691 118 A CB 1.751 20.766 19.000 0.024 0.000 1.291 118 A HN 0.681 nan 8.150 nan 0.000 0.404 119 E N 0.992 121.212 120.200 0.033 0.000 2.366 119 E HA 0.435 4.785 4.350 -0.000 0.000 0.266 119 E C 0.438 177.048 176.600 0.017 0.000 1.051 119 E CA -0.121 56.295 56.400 0.027 0.000 0.884 119 E CB 1.280 30.994 29.700 0.023 0.000 1.006 119 E HN 0.816 nan 8.360 nan 0.000 0.417 120 A N 4.357 127.187 122.820 0.017 0.000 2.531 120 A HA 0.150 4.470 4.320 -0.000 0.000 0.236 120 A C -2.058 175.534 177.584 0.014 0.000 1.062 120 A CA -0.943 51.100 52.037 0.011 0.000 0.760 120 A CB -0.520 18.491 19.000 0.018 0.000 0.995 120 A HN 0.332 nan 8.150 nan 0.000 0.501 121 P HA 0.055 nan 4.420 nan 0.000 0.265 121 P C -0.071 177.243 177.300 0.023 0.000 1.187 121 P CA 0.302 63.404 63.100 0.005 0.000 0.766 121 P CB 0.429 32.122 31.700 -0.012 0.000 0.820 122 E N 1.858 122.076 120.200 0.031 0.000 2.342 122 E HA 0.035 4.385 4.350 -0.000 0.000 0.257 122 E C 0.863 177.517 176.600 0.090 0.000 1.150 122 E CA -0.418 56.024 56.400 0.071 0.000 0.926 122 E CB 0.205 29.947 29.700 0.070 0.000 1.074 122 E HN 0.388 nan 8.360 nan 0.000 0.449 123 F N 1.945 121.895 119.950 -0.001 0.000 2.115 123 F HA -0.265 4.262 4.527 -0.000 0.000 0.300 123 F C 1.903 177.701 175.800 -0.003 0.000 1.092 123 F CA 2.088 60.087 58.000 -0.002 0.000 1.245 123 F CB -0.253 38.746 39.000 -0.001 0.000 0.995 123 F HN 0.271 nan 8.300 nan 0.000 0.481 124 V N -2.026 117.903 119.914 0.024 0.000 3.078 124 V HA -0.169 3.951 4.120 -0.000 0.000 0.265 124 V C 1.469 177.489 176.094 -0.123 0.000 1.122 124 V CA 1.946 64.206 62.300 -0.067 0.000 1.141 124 V CB -1.025 30.824 31.823 0.043 0.000 0.735 124 V HN 0.488 nan 8.190 nan 0.000 0.498 125 E N -0.143 119.992 120.200 -0.107 0.000 2.474 125 E HA 0.203 4.553 4.350 -0.000 0.000 0.194 125 E C 0.562 177.089 176.600 -0.122 0.000 1.041 125 E CA -0.281 56.066 56.400 -0.088 0.000 0.874 125 E CB 0.048 29.720 29.700 -0.048 0.000 0.914 125 E HN 0.466 nan 8.360 nan 0.000 0.498 126 M N 1.173 120.653 119.600 -0.201 0.000 2.245 126 M HA 0.080 4.560 4.480 -0.000 0.000 0.344 126 M C 0.430 176.630 176.300 -0.166 0.000 1.170 126 M CA 0.237 55.420 55.300 -0.195 0.000 1.135 126 M CB 0.939 33.368 32.600 -0.286 0.000 1.574 126 M HN -0.145 nan 8.290 nan 0.000 0.452 127 S N 1.467 117.099 115.700 -0.113 0.000 2.525 127 S HA 0.522 4.992 4.470 -0.000 0.000 0.290 127 S C 0.632 175.184 174.600 -0.079 0.000 1.152 127 S CA -0.869 57.278 58.200 -0.087 0.000 1.072 127 S CB 0.897 64.061 63.200 -0.061 0.000 1.027 127 S HN 0.566 nan 8.310 nan 0.000 0.500 128 V N 1.054 120.927 119.914 -0.068 0.000 3.578 128 V HA 0.448 4.567 4.120 -0.000 0.000 0.290 128 V C 0.427 176.501 176.094 -0.033 0.000 1.376 128 V CA -0.297 61.972 62.300 -0.050 0.000 1.083 128 V CB -0.481 31.313 31.823 -0.048 0.000 0.911 128 V HN 0.721 nan 8.190 nan 0.000 0.433 129 E N 2.418 122.598 120.200 -0.032 0.000 2.465 129 E HA 0.176 4.525 4.350 -0.000 0.000 0.260 129 E C -0.430 176.161 176.600 -0.015 0.000 0.980 129 E CA 0.747 57.134 56.400 -0.022 0.000 0.927 129 E CB 0.610 30.298 29.700 -0.020 0.000 0.934 129 E HN 0.672 nan 8.360 nan 0.000 0.459 130 Q N 2.440 122.234 119.800 -0.010 0.000 2.303 130 Q HA 0.330 4.670 4.340 -0.000 0.000 0.267 130 Q C -0.716 175.285 176.000 0.002 0.000 1.011 130 Q CA -0.278 55.523 55.803 -0.003 0.000 0.740 130 Q CB 2.027 30.762 28.738 -0.005 0.000 1.250 130 Q HN 0.428 nan 8.270 nan 0.000 0.458 131 E N 3.337 123.543 120.200 0.010 0.000 2.290 131 E HA 0.337 4.687 4.350 -0.000 0.000 0.274 131 E C -1.271 175.347 176.600 0.030 0.000 0.889 131 E CA -0.691 55.719 56.400 0.016 0.000 0.760 131 E CB 1.945 31.653 29.700 0.014 0.000 1.206 131 E HN 0.618 nan 8.360 nan 0.000 0.419 132 I N 4.388 124.978 120.570 0.034 0.000 2.648 132 I HA 0.021 4.191 4.170 -0.000 0.000 0.284 132 I C -0.773 175.381 176.117 0.061 0.000 1.153 132 I CA -0.103 61.227 61.300 0.050 0.000 1.426 132 I CB 0.411 38.442 38.000 0.052 0.000 1.381 132 I HN 0.470 nan 8.210 nan 0.000 0.571 133 L N 9.071 130.344 121.223 0.084 0.000 2.301 133 L HA 0.392 4.732 4.340 -0.000 0.000 0.278 133 L C -0.766 176.152 176.870 0.080 0.000 1.022 133 L CA -0.335 54.559 54.840 0.091 0.000 0.854 133 L CB 1.120 43.251 42.059 0.119 0.000 1.226 133 L HN 0.309 nan 8.230 nan 0.000 0.429 134 V N 4.551 124.500 119.914 0.058 0.000 2.508 134 V HA 0.161 4.281 4.120 -0.000 0.000 0.281 134 V C 1.503 177.610 176.094 0.021 0.000 1.041 134 V CA 0.681 63.001 62.300 0.034 0.000 1.016 134 V CB 0.922 32.769 31.823 0.041 0.000 0.984 134 V HN 0.937 nan 8.190 nan 0.000 0.478 135 T N 0.340 114.881 114.554 -0.022 0.000 3.037 135 T HA 0.227 4.577 4.350 -0.000 0.000 0.252 135 T C 1.472 176.153 174.700 -0.031 0.000 1.073 135 T CA 0.733 62.816 62.100 -0.029 0.000 1.091 135 T CB 0.347 69.151 68.868 -0.106 0.000 0.935 135 T HN 1.470 nan 8.240 nan 0.000 0.488 136 G N 1.604 110.391 108.800 -0.022 0.000 2.159 136 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.256 136 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.256 136 G C 0.010 174.909 174.900 -0.002 0.000 0.977 136 G CA 0.182 45.277 45.100 -0.009 0.000 0.652 136 G HN 0.667 nan 8.290 nan 0.000 0.531 137 I N 0.786 121.347 120.570 -0.014 0.000 2.312 137 I HA 0.245 4.415 4.170 -0.000 0.000 0.290 137 I C 1.591 177.716 176.117 0.014 0.000 1.008 137 I CA -0.793 60.534 61.300 0.045 0.000 1.226 137 I CB 1.299 39.334 38.000 0.058 0.000 1.371 137 I HN -0.013 nan 8.210 nan 0.000 0.468 138 K N 3.731 124.144 120.400 0.022 0.000 2.020 138 K HA -0.190 4.130 4.320 -0.000 0.000 0.212 138 K C 1.849 178.428 176.600 -0.034 0.000 1.050 138 K CA 1.803 58.093 56.287 0.005 0.000 0.929 138 K CB -0.229 32.267 32.500 -0.007 0.000 0.714 138 K HN 0.645 nan 8.250 nan 0.000 0.443 139 V N -0.049 119.850 119.914 -0.026 0.000 2.287 139 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 139 V C 2.296 178.347 176.094 -0.071 0.000 1.053 139 V CA 1.737 63.999 62.300 -0.064 0.000 1.027 139 V CB -0.981 30.837 31.823 -0.007 0.000 0.646 139 V HN 0.042 nan 8.190 nan 0.000 0.447 140 V N 0.763 120.634 119.914 -0.071 0.000 2.283 140 V HA -0.194 3.925 4.120 -0.000 0.000 0.243 140 V C 2.502 178.512 176.094 -0.141 0.000 1.039 140 V CA 2.367 64.573 62.300 -0.157 0.000 1.016 140 V CB -0.830 30.778 31.823 -0.359 0.000 0.650 140 V HN 0.475 nan 8.190 nan 0.000 0.449 141 D N -0.089 120.244 120.400 -0.112 0.000 2.123 141 D HA -0.166 4.474 4.640 -0.000 0.000 0.196 141 D C 1.885 178.224 176.300 0.065 0.000 0.992 141 D CA 1.295 55.279 54.000 -0.026 0.000 0.833 141 D CB -0.277 40.511 40.800 -0.021 0.000 0.954 141 D HN 0.338 nan 8.370 nan 0.000 0.455 142 L N -0.185 121.019 121.223 -0.031 0.000 2.007 142 L HA -0.020 4.320 4.340 -0.000 0.000 0.205 142 L C 2.015 178.926 176.870 0.067 0.000 1.073 142 L CA 1.473 56.277 54.840 -0.059 0.000 0.744 142 L CB -0.202 41.679 42.059 -0.296 0.000 0.898 142 L HN -0.004 nan 8.230 nan 0.000 0.435 143 L N -1.111 120.092 121.223 -0.034 0.000 2.357 143 L HA 0.302 4.642 4.340 -0.000 0.000 0.211 143 L C 0.772 177.647 176.870 0.008 0.000 1.075 143 L CA 0.504 55.322 54.840 -0.035 0.000 0.830 143 L CB -0.131 41.878 42.059 -0.083 0.000 0.996 143 L HN 0.285 nan 8.230 nan 0.000 0.467 144 A N 0.403 123.237 122.820 0.023 0.000 3.474 144 A HA 0.421 4.741 4.320 -0.000 0.000 0.251 144 A C -2.654 174.969 177.584 0.066 0.000 1.062 144 A CA -0.796 51.277 52.037 0.061 0.000 0.945 144 A CB -0.196 18.860 19.000 0.094 0.000 1.296 144 A HN -0.151 nan 8.150 nan 0.000 0.592 145 P HA 0.118 nan 4.420 nan 0.000 0.271 145 P C -0.545 176.850 177.300 0.159 0.000 1.218 145 P CA 0.435 63.544 63.100 0.016 0.000 0.780 145 P CB 0.394 32.117 31.700 0.039 0.000 0.901 146 Y N 0.215 120.541 120.300 0.044 0.000 2.301 146 Y HA 0.403 4.953 4.550 -0.000 0.000 0.328 146 Y C 1.154 177.064 175.900 0.017 0.000 1.242 146 Y CA -1.280 56.837 58.100 0.029 0.000 1.323 146 Y CB 0.903 39.379 38.460 0.026 0.000 1.266 146 Y HN 0.374 nan 8.280 nan 0.000 0.527 147 A N 3.221 126.142 122.820 0.168 0.000 2.317 147 A HA 0.387 4.707 4.320 -0.000 0.000 0.327 147 A C -0.725 176.886 177.584 0.045 0.000 1.178 147 A CA -1.063 51.022 52.037 0.080 0.000 0.817 147 A CB 0.582 19.609 19.000 0.045 0.000 1.189 147 A HN 0.768 nan 8.150 nan 0.000 0.489 148 K N 0.901 121.323 120.400 0.036 0.000 2.484 148 K HA 0.309 4.629 4.320 -0.000 0.000 0.280 148 K C 1.172 177.765 176.600 -0.012 0.000 1.013 148 K CA 1.246 57.540 56.287 0.012 0.000 1.029 148 K CB 0.250 32.763 32.500 0.021 0.000 0.902 148 K HN 1.491 nan 8.250 nan 0.000 0.481 149 G N 1.986 110.763 108.800 -0.038 0.000 2.155 149 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.257 149 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.257 149 G C 0.433 175.298 174.900 -0.059 0.000 0.983 149 G CA 0.106 45.176 45.100 -0.050 0.000 0.676 149 G HN 0.857 nan 8.290 nan 0.000 0.528 150 G N -0.805 107.958 108.800 -0.062 0.000 2.488 150 G HA2 0.603 4.563 3.960 -0.000 0.000 0.318 150 G HA3 0.603 4.563 3.960 -0.000 0.000 0.318 150 G C -0.206 174.630 174.900 -0.107 0.000 1.188 150 G CA -0.793 44.270 45.100 -0.061 0.000 0.944 150 G HN 0.338 nan 8.290 nan 0.000 0.495 151 K N 0.331 120.676 120.400 -0.091 0.000 2.263 151 K HA 0.409 4.729 4.320 -0.000 0.000 0.272 151 K C -0.927 175.587 176.600 -0.143 0.000 1.033 151 K CA -0.173 56.044 56.287 -0.118 0.000 0.884 151 K CB 1.717 34.178 32.500 -0.066 0.000 1.107 151 K HN 0.237 nan 8.250 nan 0.000 0.460 152 I N 1.478 121.904 120.570 -0.240 0.000 2.404 152 I HA 0.346 4.516 4.170 -0.000 0.000 0.293 152 I C 0.326 176.298 176.117 -0.240 0.000 0.992 152 I CA -0.487 60.614 61.300 -0.331 0.000 1.149 152 I CB 2.139 39.721 38.000 -0.697 0.000 1.315 152 I HN 0.608 nan 8.210 nan 0.000 0.446 153 G N 6.478 115.190 108.800 -0.148 0.000 2.566 153 G HA2 0.737 4.697 3.960 -0.000 0.000 0.311 153 G HA3 0.737 4.697 3.960 -0.000 0.000 0.311 153 G C -1.087 173.756 174.900 -0.095 0.000 1.322 153 G CA -0.554 44.431 45.100 -0.192 0.000 0.969 153 G HN 0.454 nan 8.290 nan 0.000 0.490 154 L N 2.017 123.141 121.223 -0.166 0.000 2.324 154 L HA 0.427 4.767 4.340 -0.000 0.000 0.274 154 L C -0.894 175.924 176.870 -0.087 0.000 1.012 154 L CA -0.606 54.234 54.840 0.001 0.000 0.859 154 L CB 0.848 42.942 42.059 0.059 0.000 1.224 154 L HN 0.312 nan 8.230 nan 0.000 0.429 155 F N 1.409 121.352 119.950 -0.013 0.000 2.396 155 F HA 0.718 5.245 4.527 -0.000 0.000 0.343 155 F C 1.043 176.831 175.800 -0.020 0.000 1.104 155 F CA -0.263 57.708 58.000 -0.049 0.000 1.161 155 F CB 1.792 40.746 39.000 -0.075 0.000 1.146 155 F HN 0.440 nan 8.300 nan 0.000 0.522 156 G N 1.123 109.981 108.800 0.096 0.000 2.691 156 G HA2 0.478 4.438 3.960 -0.000 0.000 0.298 156 G HA3 0.478 4.438 3.960 -0.000 0.000 0.298 156 G C -0.579 174.240 174.900 -0.135 0.000 1.471 156 G CA -0.451 44.665 45.100 0.026 0.000 0.912 156 G HN 0.916 nan 8.290 nan 0.000 0.553 157 G N -0.205 108.500 108.800 -0.158 0.000 2.712 157 G HA2 0.608 4.567 3.960 -0.000 0.000 0.258 157 G HA3 0.608 4.567 3.960 -0.000 0.000 0.258 157 G C 0.887 175.704 174.900 -0.138 0.000 1.241 157 G CA 0.431 45.360 45.100 -0.284 0.000 0.923 157 G HN 1.757 nan 8.290 nan 0.000 0.548 158 A N -0.964 121.828 122.820 -0.045 0.000 2.545 158 A HA 0.500 4.820 4.320 -0.000 0.000 0.253 158 A C 1.634 179.281 177.584 0.106 0.000 1.074 158 A CA 1.195 53.348 52.037 0.193 0.000 0.760 158 A CB -0.714 18.436 19.000 0.251 0.000 1.005 158 A HN 2.608 nan 8.150 nan 0.000 0.506 159 G N 1.207 110.074 108.800 0.112 0.000 2.148 159 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.254 159 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.254 159 G C 0.854 175.796 174.900 0.071 0.000 0.981 159 G CA 0.653 45.794 45.100 0.069 0.000 0.670 159 G HN 1.685 nan 8.290 nan 0.000 0.528 160 V N -0.312 119.653 119.914 0.085 0.000 3.052 160 V HA 0.512 4.632 4.120 -0.000 0.000 0.254 160 V C 1.899 178.093 176.094 0.166 0.000 1.100 160 V CA 2.716 65.085 62.300 0.115 0.000 1.112 160 V CB 0.190 32.055 31.823 0.071 0.000 0.738 160 V HN 2.054 nan 8.190 nan 0.000 0.469 161 G N -0.367 108.508 108.800 0.127 0.000 2.215 161 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.187 161 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.187 161 G C 0.563 175.552 174.900 0.149 0.000 1.039 161 G CA 0.256 45.436 45.100 0.133 0.000 0.771 161 G HN 0.414 nan 8.290 nan 0.000 0.507 162 K N -0.054 120.426 120.400 0.132 0.000 2.009 162 K HA -0.071 4.249 4.320 -0.000 0.000 0.210 162 K C 2.491 179.174 176.600 0.140 0.000 1.049 162 K CA 2.004 58.370 56.287 0.133 0.000 0.929 162 K CB -0.254 32.315 32.500 0.115 0.000 0.714 162 K HN 0.266 nan 8.250 nan 0.000 0.440 163 T N 1.039 115.671 114.554 0.131 0.000 2.812 163 T HA -0.073 4.277 4.350 -0.000 0.000 0.264 163 T C 2.050 176.823 174.700 0.122 0.000 1.042 163 T CA 0.897 63.077 62.100 0.134 0.000 1.140 163 T CB -0.146 68.798 68.868 0.127 0.000 0.870 163 T HN -0.064 nan 8.240 nan 0.000 0.445 164 V N 1.718 121.704 119.914 0.119 0.000 2.392 164 V HA -0.140 3.980 4.120 -0.000 0.000 0.249 164 V C 2.376 178.585 176.094 0.192 0.000 1.059 164 V CA 1.382 63.771 62.300 0.148 0.000 1.051 164 V CB -0.594 31.313 31.823 0.140 0.000 0.658 164 V HN 0.333 nan 8.190 nan 0.000 0.455 165 L N -0.354 121.003 121.223 0.224 0.000 2.072 165 L HA -0.051 4.289 4.340 -0.000 0.000 0.205 165 L C 2.099 179.037 176.870 0.115 0.000 1.079 165 L CA 1.708 56.686 54.840 0.231 0.000 0.752 165 L CB -0.573 41.657 42.059 0.286 0.000 0.906 165 L HN 0.242 nan 8.230 nan 0.000 0.436 166 I N -1.149 119.498 120.570 0.128 0.000 2.286 166 I HA -0.303 3.867 4.170 -0.000 0.000 0.248 166 I C 2.078 178.187 176.117 -0.013 0.000 1.115 166 I CA 0.984 62.351 61.300 0.111 0.000 1.392 166 I CB 0.048 38.154 38.000 0.177 0.000 1.065 166 I HN 0.297 nan 8.210 nan 0.000 0.418 167 M N -0.382 119.214 119.600 -0.006 0.000 2.175 167 M HA -0.183 4.297 4.480 -0.000 0.000 0.264 167 M C 2.123 178.357 176.300 -0.110 0.000 1.063 167 M CA 1.474 56.731 55.300 -0.072 0.000 1.119 167 M CB -1.326 31.262 32.600 -0.020 0.000 1.377 167 M HN 0.155 nan 8.290 nan 0.000 0.415 168 E N 0.708 120.833 120.200 -0.126 0.000 2.106 168 E HA -0.072 4.278 4.350 -0.000 0.000 0.192 168 E C 2.044 178.517 176.600 -0.212 0.000 0.984 168 E CA 1.030 57.272 56.400 -0.263 0.000 0.806 168 E CB -0.252 29.045 29.700 -0.672 0.000 0.750 168 E HN 0.473 nan 8.360 nan 0.000 0.458 169 L N -0.086 121.065 121.223 -0.119 0.000 2.093 169 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 169 L C 2.385 179.246 176.870 -0.014 0.000 1.085 169 L CA 0.883 55.728 54.840 0.009 0.000 0.755 169 L CB -0.344 41.828 42.059 0.188 0.000 0.904 169 L HN 0.196 nan 8.230 nan 0.000 0.435 170 I N 0.088 120.528 120.570 -0.216 0.000 2.264 170 I HA -0.324 3.846 4.170 -0.000 0.000 0.248 170 I C 2.322 178.366 176.117 -0.121 0.000 1.111 170 I CA 1.506 62.612 61.300 -0.324 0.000 1.382 170 I CB -0.337 37.351 38.000 -0.519 0.000 1.060 170 I HN 0.357 nan 8.210 nan 0.000 0.418 171 N N 1.032 119.667 118.700 -0.108 0.000 2.106 171 N HA -0.184 4.556 4.740 -0.000 0.000 0.188 171 N C 1.581 177.067 175.510 -0.040 0.000 1.029 171 N CA 1.718 54.726 53.050 -0.069 0.000 0.848 171 N CB -0.053 38.385 38.487 -0.082 0.000 1.007 171 N HN 0.169 nan 8.380 nan 0.000 0.423 172 N N -0.881 117.791 118.700 -0.047 0.000 2.300 172 N HA -0.007 4.733 4.740 -0.000 0.000 0.179 172 N C 1.347 176.874 175.510 0.027 0.000 1.016 172 N CA 0.668 53.705 53.050 -0.022 0.000 0.876 172 N CB 0.028 38.482 38.487 -0.054 0.000 0.979 172 N HN 0.123 nan 8.380 nan 0.000 0.432 173 V N 0.081 120.033 119.914 0.064 0.000 2.690 173 V HA 0.235 4.355 4.120 -0.000 0.000 0.240 173 V C 1.508 177.679 176.094 0.129 0.000 1.078 173 V CA 0.928 63.292 62.300 0.108 0.000 1.102 173 V CB -0.373 31.544 31.823 0.157 0.000 0.800 173 V HN 0.181 nan 8.190 nan 0.000 0.479 174 A N -0.360 122.545 122.820 0.142 0.000 2.268 174 A HA 0.067 4.387 4.320 -0.000 0.000 0.221 174 A C 1.670 179.337 177.584 0.139 0.000 1.287 174 A CA 0.899 53.038 52.037 0.170 0.000 0.902 174 A CB -0.358 18.754 19.000 0.187 0.000 0.877 174 A HN 0.504 nan 8.150 nan 0.000 0.487 175 K N -1.421 119.044 120.400 0.107 0.000 2.493 175 K HA 0.322 4.642 4.320 -0.000 0.000 0.201 175 K C 1.577 178.218 176.600 0.068 0.000 1.355 175 K CA 0.800 57.130 56.287 0.072 0.000 0.953 175 K CB 0.102 32.623 32.500 0.036 0.000 1.316 175 K HN 0.202 nan 8.250 nan 0.000 0.522 176 A N 1.204 124.070 122.820 0.077 0.000 2.258 176 A HA -0.069 4.251 4.320 -0.000 0.000 0.206 176 A C -0.107 177.538 177.584 0.102 0.000 1.222 176 A CA 0.525 52.602 52.037 0.067 0.000 0.822 176 A CB -0.847 18.189 19.000 0.059 0.000 0.804 176 A HN 0.322 nan 8.150 nan 0.000 0.483 177 H N -0.972 118.101 119.070 0.004 0.000 2.476 177 H HA 0.421 4.977 4.556 -0.000 0.000 0.328 177 H C 0.586 175.888 175.328 -0.043 0.000 1.073 177 H CA 0.151 56.193 56.048 -0.010 0.000 1.229 177 H CB 1.494 31.265 29.762 0.014 0.000 1.432 177 H HN 0.082 nan 8.280 nan 0.000 0.477 178 G N 3.048 111.537 108.800 -0.519 0.000 3.523 178 G HA2 0.239 4.199 3.960 -0.000 0.000 0.270 178 G HA3 0.239 4.199 3.960 -0.000 0.000 0.270 178 G C 0.527 175.050 174.900 -0.628 0.000 1.134 178 G CA 0.312 45.150 45.100 -0.437 0.000 0.825 178 G HN 0.700 nan 8.290 nan 0.000 0.534 179 G N -0.552 107.584 108.800 -1.107 0.000 3.175 179 G HA2 0.580 4.540 3.960 -0.000 0.000 0.153 179 G HA3 0.580 4.540 3.960 -0.000 0.000 0.153 179 G C -1.155 173.407 174.900 -0.564 0.000 1.216 179 G CA -0.946 43.648 45.100 -0.843 0.000 0.943 179 G HN 0.145 nan 8.290 nan 0.000 0.611 180 Y N -0.509 119.786 120.300 -0.010 0.000 2.487 180 Y HA 0.634 5.184 4.550 -0.000 0.000 0.337 180 Y C 0.334 176.266 175.900 0.054 0.000 1.076 180 Y CA -0.709 57.325 58.100 -0.110 0.000 1.115 180 Y CB 2.569 40.668 38.460 -0.600 0.000 1.235 180 Y HN 0.312 nan 8.280 nan 0.000 0.468 181 S N 1.081 116.906 115.700 0.208 0.000 2.542 181 S HA 0.700 5.170 4.470 -0.000 0.000 0.293 181 S C -1.234 173.476 174.600 0.183 0.000 1.089 181 S CA -0.808 57.508 58.200 0.193 0.000 0.961 181 S CB 1.925 65.298 63.200 0.289 0.000 1.062 181 S HN 0.323 nan 8.310 nan 0.000 0.483 182 V N 2.837 122.862 119.914 0.185 0.000 2.531 182 V HA 0.501 4.621 4.120 -0.000 0.000 0.301 182 V C -1.217 175.010 176.094 0.222 0.000 1.034 182 V CA -0.645 61.764 62.300 0.182 0.000 0.865 182 V CB 1.323 33.225 31.823 0.132 0.000 0.995 182 V HN 0.863 nan 8.190 nan 0.000 0.424 183 F N 3.984 123.989 119.950 0.091 0.000 2.426 183 F HA 0.772 5.299 4.527 -0.000 0.000 0.348 183 F C 0.336 176.044 175.800 -0.153 0.000 1.124 183 F CA -0.468 57.554 58.000 0.037 0.000 1.008 183 F CB 1.260 40.282 39.000 0.036 0.000 1.139 183 F HN 0.556 nan 8.300 nan 0.000 0.452 184 A N 4.709 127.240 122.820 -0.481 0.000 2.267 184 A HA 0.619 4.939 4.320 -0.000 0.000 0.315 184 A C 0.011 177.292 177.584 -0.505 0.000 1.297 184 A CA -0.380 51.411 52.037 -0.410 0.000 0.865 184 A CB 0.218 19.045 19.000 -0.288 0.000 1.165 184 A HN 0.983 nan 8.150 nan 0.000 0.513 185 G N 1.170 109.670 108.800 -0.499 0.000 2.351 185 G HA2 0.498 4.458 3.960 -0.000 0.000 0.287 185 G HA3 0.498 4.458 3.960 -0.000 0.000 0.287 185 G C -0.598 174.289 174.900 -0.022 0.000 1.159 185 G CA -0.125 44.893 45.100 -0.137 0.000 0.929 185 G HN 0.787 nan 8.290 nan 0.000 0.435 186 V N 2.633 122.558 119.914 0.018 0.000 2.380 186 V HA 0.595 4.715 4.120 -0.000 0.000 0.286 186 V C 1.015 177.150 176.094 0.069 0.000 1.015 186 V CA 0.169 62.487 62.300 0.031 0.000 0.834 186 V CB 0.830 32.651 31.823 -0.004 0.000 1.009 186 V HN 1.427 nan 8.190 nan 0.000 0.428 187 G N 3.203 112.049 108.800 0.076 0.000 2.225 187 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.267 187 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.267 187 G C 0.191 175.135 174.900 0.075 0.000 1.024 187 G CA 0.612 45.749 45.100 0.063 0.000 0.784 187 G HN 0.582 nan 8.290 nan 0.000 0.507 188 E N -0.696 119.573 120.200 0.115 0.000 2.819 188 E HA 0.474 4.824 4.350 -0.000 0.000 0.241 188 E C 0.851 177.519 176.600 0.114 0.000 0.987 188 E CA -0.906 55.566 56.400 0.119 0.000 1.024 188 E CB 0.500 30.299 29.700 0.165 0.000 1.448 188 E HN 0.383 nan 8.360 nan 0.000 0.484 189 R N 0.329 120.896 120.500 0.111 0.000 2.298 189 R HA 0.226 4.565 4.340 -0.000 0.000 0.310 189 R C 1.129 177.470 176.300 0.067 0.000 1.068 189 R CA 0.020 56.166 56.100 0.076 0.000 0.957 189 R CB 0.394 30.732 30.300 0.063 0.000 1.003 189 R HN 0.395 nan 8.270 nan 0.000 0.454 190 T N 2.910 117.483 114.554 0.032 0.000 2.720 190 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 190 T C 1.703 176.374 174.700 -0.050 0.000 1.037 190 T CA 1.862 63.948 62.100 -0.024 0.000 1.144 190 T CB -0.091 68.763 68.868 -0.023 0.000 0.864 190 T HN 0.586 nan 8.240 nan 0.000 0.444 191 R N 1.857 122.351 120.500 -0.011 0.000 2.189 191 R HA 0.059 4.398 4.340 -0.000 0.000 0.223 191 R C 1.853 178.154 176.300 0.001 0.000 1.092 191 R CA 1.424 57.521 56.100 -0.005 0.000 0.989 191 R CB -0.627 29.678 30.300 0.009 0.000 0.876 191 R HN 0.386 nan 8.270 nan 0.000 0.457 192 E N 0.327 120.537 120.200 0.017 0.000 2.106 192 E HA -0.061 4.289 4.350 -0.000 0.000 0.192 192 E C 2.045 178.638 176.600 -0.012 0.000 0.984 192 E CA 1.144 57.562 56.400 0.030 0.000 0.806 192 E CB -0.258 29.491 29.700 0.082 0.000 0.750 192 E HN 0.646 nan 8.360 nan 0.000 0.458 193 G N 1.108 109.855 108.800 -0.089 0.000 2.418 193 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.217 193 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.217 193 G C 1.403 176.156 174.900 -0.245 0.000 1.158 193 G CA 1.071 45.936 45.100 -0.391 0.000 0.771 193 G HN 0.217 nan 8.290 nan 0.000 0.545 194 N N 0.554 119.182 118.700 -0.120 0.000 2.120 194 N HA -0.111 4.629 4.740 -0.000 0.000 0.188 194 N C 1.719 177.327 175.510 0.163 0.000 1.024 194 N CA 1.649 54.739 53.050 0.066 0.000 0.852 194 N CB -0.107 38.425 38.487 0.075 0.000 1.003 194 N HN 0.139 nan 8.380 nan 0.000 0.424 195 D N 0.049 120.488 120.400 0.065 0.000 2.092 195 D HA -0.154 4.486 4.640 -0.000 0.000 0.193 195 D C 1.889 178.209 176.300 0.034 0.000 0.994 195 D CA 0.711 54.743 54.000 0.053 0.000 0.828 195 D CB -0.535 40.278 40.800 0.022 0.000 0.963 195 D HN 0.247 nan 8.370 nan 0.000 0.450 196 L N 0.090 121.304 121.223 -0.015 0.000 1.994 196 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 196 L C 2.230 179.096 176.870 -0.006 0.000 1.071 196 L CA 1.551 56.351 54.840 -0.067 0.000 0.745 196 L CB -1.165 40.779 42.059 -0.192 0.000 0.892 196 L HN 0.031 nan 8.230 nan 0.000 0.431 197 Y N 0.366 120.592 120.300 -0.123 0.000 2.040 197 Y HA -0.357 4.193 4.550 -0.000 0.000 0.275 197 Y C 2.735 178.521 175.900 -0.189 0.000 1.171 197 Y CA 2.509 60.506 58.100 -0.172 0.000 1.123 197 Y CB -0.841 37.459 38.460 -0.267 0.000 0.963 197 Y HN 0.482 nan 8.280 nan 0.000 0.493 198 H N -0.855 118.138 119.070 -0.128 0.000 2.457 198 H HA -0.068 4.488 4.556 -0.000 0.000 0.294 198 H C 2.249 177.482 175.328 -0.159 0.000 1.064 198 H CA 1.339 57.260 56.048 -0.213 0.000 1.330 198 H CB -0.049 29.655 29.762 -0.096 0.000 1.395 198 H HN 0.500 nan 8.280 nan 0.000 0.541 199 E N 0.529 120.726 120.200 -0.006 0.000 2.077 199 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 199 E C 1.811 178.370 176.600 -0.068 0.000 0.989 199 E CA 1.131 57.511 56.400 -0.033 0.000 0.800 199 E CB 0.050 29.730 29.700 -0.033 0.000 0.746 199 E HN 0.456 nan 8.360 nan 0.000 0.452 200 M N 0.055 119.597 119.600 -0.097 0.000 2.229 200 M HA -0.101 4.379 4.480 -0.000 0.000 0.264 200 M C 2.210 178.436 176.300 -0.124 0.000 1.063 200 M CA 0.994 56.238 55.300 -0.093 0.000 1.114 200 M CB -0.107 32.454 32.600 -0.066 0.000 1.387 200 M HN 0.190 nan 8.290 nan 0.000 0.420 201 I N 0.056 120.495 120.570 -0.218 0.000 2.226 201 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 201 I C 2.529 178.581 176.117 -0.109 0.000 1.100 201 I CA 1.393 62.567 61.300 -0.209 0.000 1.374 201 I CB -0.412 37.389 38.000 -0.331 0.000 1.057 201 I HN 0.382 nan 8.210 nan 0.000 0.413 202 E N 0.817 120.967 120.200 -0.083 0.000 2.072 202 E HA -0.216 4.134 4.350 -0.000 0.000 0.191 202 E C 2.279 178.854 176.600 -0.041 0.000 0.985 202 E CA 1.679 58.050 56.400 -0.049 0.000 0.801 202 E CB 0.087 29.766 29.700 -0.035 0.000 0.750 202 E HN 0.520 nan 8.360 nan 0.000 0.452 203 S N -1.304 114.370 115.700 -0.044 0.000 2.414 203 S HA 0.075 4.545 4.470 -0.000 0.000 0.227 203 S C 1.666 176.249 174.600 -0.028 0.000 1.022 203 S CA 0.952 59.133 58.200 -0.032 0.000 0.958 203 S CB 0.367 63.548 63.200 -0.031 0.000 0.797 203 S HN 0.500 nan 8.310 nan 0.000 0.493 204 G N 0.333 109.112 108.800 -0.035 0.000 2.179 204 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.220 204 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.220 204 G C 0.906 175.797 174.900 -0.015 0.000 0.990 204 G CA 0.434 45.519 45.100 -0.026 0.000 0.646 204 G HN 1.400 nan 8.290 nan 0.000 0.517 205 V N -0.959 118.948 119.914 -0.012 0.000 2.759 205 V HA 0.376 4.496 4.120 -0.000 0.000 0.256 205 V C 1.241 177.345 176.094 0.016 0.000 1.080 205 V CA 1.494 63.799 62.300 0.009 0.000 1.101 205 V CB -0.207 31.627 31.823 0.019 0.000 0.698 205 V HN 0.458 nan 8.190 nan 0.000 0.477 206 I N 2.428 122.991 120.570 -0.011 0.000 2.355 206 I HA 0.409 4.579 4.170 -0.000 0.000 0.288 206 I C -0.379 175.719 176.117 -0.032 0.000 0.999 206 I CA -0.191 61.103 61.300 -0.010 0.000 1.163 206 I CB 1.236 39.219 38.000 -0.027 0.000 1.316 206 I HN 0.179 nan 8.210 nan 0.000 0.454 207 N N 7.047 125.743 118.700 -0.006 0.000 2.424 207 N HA 0.332 5.072 4.740 -0.000 0.000 0.271 207 N C 0.294 175.803 175.510 -0.002 0.000 0.985 207 N CA -0.367 52.677 53.050 -0.010 0.000 0.921 207 N CB 1.857 40.345 38.487 0.002 0.000 1.149 207 N HN 0.594 nan 8.380 nan 0.000 0.492 208 L N 2.553 123.768 121.223 -0.013 0.000 2.558 208 L HA 0.128 4.468 4.340 -0.000 0.000 0.225 208 L C 1.763 178.639 176.870 0.009 0.000 1.128 208 L CA 0.463 55.304 54.840 0.002 0.000 0.868 208 L CB 0.100 42.154 42.059 -0.009 0.000 1.006 208 L HN 0.371 nan 8.230 nan 0.000 0.454 209 K N -1.305 119.099 120.400 0.005 0.000 2.399 209 K HA 0.195 4.515 4.320 -0.000 0.000 0.196 209 K C 0.131 176.737 176.600 0.010 0.000 1.117 209 K CA 0.282 56.574 56.287 0.007 0.000 0.965 209 K CB 0.925 33.427 32.500 0.003 0.000 0.983 209 K HN 0.109 nan 8.250 nan 0.000 0.531 210 D N -1.100 119.307 120.400 0.012 0.000 2.614 210 D HA 0.373 5.013 4.640 -0.000 0.000 0.264 210 D C -0.798 175.514 176.300 0.021 0.000 1.092 210 D CA -0.402 53.607 54.000 0.015 0.000 1.071 210 D CB 2.089 42.897 40.800 0.013 0.000 1.443 210 D HN -0.088 nan 8.370 nan 0.000 0.528 211 A N -0.075 122.760 122.820 0.025 0.000 2.411 211 A HA 0.129 4.449 4.320 -0.000 0.000 0.251 211 A C 1.202 178.814 177.584 0.045 0.000 1.317 211 A CA 0.464 52.521 52.037 0.033 0.000 0.904 211 A CB -0.731 18.289 19.000 0.034 0.000 0.993 211 A HN 0.475 nan 8.150 nan 0.000 0.504 212 T N -2.853 111.725 114.554 0.039 0.000 3.107 212 T HA 0.123 4.473 4.350 -0.000 0.000 0.249 212 T C 0.750 175.483 174.700 0.056 0.000 1.096 212 T CA 0.354 62.481 62.100 0.046 0.000 1.012 212 T CB -0.377 68.508 68.868 0.028 0.000 0.977 212 T HN 0.189 nan 8.240 nan 0.000 0.527 213 S N 2.086 117.818 115.700 0.053 0.000 2.558 213 S HA 0.185 4.655 4.470 -0.000 0.000 0.288 213 S C 0.923 175.579 174.600 0.092 0.000 1.318 213 S CA -0.414 57.822 58.200 0.059 0.000 1.056 213 S CB 0.643 63.875 63.200 0.053 0.000 0.853 213 S HN 0.294 nan 8.310 nan 0.000 0.505 214 K N 0.928 121.391 120.400 0.106 0.000 2.438 214 K HA 0.253 4.573 4.320 -0.000 0.000 0.206 214 K C -0.681 176.014 176.600 0.157 0.000 1.081 214 K CA 0.187 56.582 56.287 0.180 0.000 1.053 214 K CB 0.841 33.420 32.500 0.132 0.000 0.908 214 K HN 0.408 nan 8.250 nan 0.000 0.556 215 V N 0.968 120.947 119.914 0.109 0.000 2.656 215 V HA 0.610 4.730 4.120 -0.000 0.000 0.307 215 V C -0.560 175.604 176.094 0.116 0.000 1.051 215 V CA -1.359 61.015 62.300 0.124 0.000 0.893 215 V CB 1.779 33.688 31.823 0.143 0.000 0.999 215 V HN 0.107 nan 8.190 nan 0.000 0.426 216 A N 5.234 128.137 122.820 0.138 0.000 2.330 216 A HA 0.929 5.249 4.320 -0.000 0.000 0.327 216 A C -0.891 176.793 177.584 0.167 0.000 1.155 216 A CA -0.536 51.591 52.037 0.151 0.000 0.803 216 A CB 0.847 19.964 19.000 0.195 0.000 1.208 216 A HN 0.811 nan 8.150 nan 0.000 0.477 217 L N 2.325 123.643 121.223 0.159 0.000 2.329 217 L HA 0.718 5.058 4.340 -0.000 0.000 0.279 217 L C -0.942 175.999 176.870 0.117 0.000 1.014 217 L CA -0.948 53.999 54.840 0.179 0.000 0.814 217 L CB 1.956 44.201 42.059 0.309 0.000 1.257 217 L HN 0.409 nan 8.230 nan 0.000 0.424 218 V N 2.555 122.466 119.914 -0.005 0.000 2.623 218 V HA 0.475 4.595 4.120 -0.000 0.000 0.304 218 V C -1.366 174.625 176.094 -0.172 0.000 1.054 218 V CA -0.667 61.621 62.300 -0.019 0.000 0.882 218 V CB 1.940 33.738 31.823 -0.043 0.000 1.002 218 V HN 0.467 nan 8.190 nan 0.000 0.424 219 Y N 1.477 121.806 120.300 0.049 0.000 2.457 219 Y HA 0.753 5.302 4.550 -0.000 0.000 0.343 219 Y C 0.496 176.416 175.900 0.033 0.000 0.994 219 Y CA -0.630 57.503 58.100 0.056 0.000 1.031 219 Y CB 2.866 41.352 38.460 0.043 0.000 1.246 219 Y HN 0.735 nan 8.280 nan 0.000 0.449 220 G N 3.807 112.718 108.800 0.186 0.000 3.191 220 G HA2 0.352 4.312 3.960 -0.000 0.000 0.309 220 G HA3 0.352 4.312 3.960 -0.000 0.000 0.309 220 G C -1.073 173.899 174.900 0.119 0.000 1.596 220 G CA -0.541 44.631 45.100 0.121 0.000 0.955 220 G HN 0.311 nan 8.290 nan 0.000 0.508 221 Q N 1.181 121.060 119.800 0.131 0.000 2.173 221 Q HA 0.308 4.648 4.340 -0.000 0.000 0.186 221 Q C 1.988 178.029 176.000 0.068 0.000 1.018 221 Q CA -0.758 55.117 55.803 0.121 0.000 1.064 221 Q CB 0.697 29.512 28.738 0.129 0.000 1.130 221 Q HN 0.732 nan 8.270 nan 0.000 0.553 222 M N -1.165 118.469 119.600 0.056 0.000 2.659 222 M HA 0.026 4.506 4.480 -0.000 0.000 0.243 222 M C 0.723 177.036 176.300 0.021 0.000 1.111 222 M CA 1.339 56.658 55.300 0.031 0.000 1.070 222 M CB -0.697 31.917 32.600 0.023 0.000 1.525 222 M HN 0.522 nan 8.290 nan 0.000 0.517 223 N N -0.139 118.576 118.700 0.025 0.000 2.463 223 N HA 0.031 4.771 4.740 -0.000 0.000 0.181 223 N C -0.188 175.331 175.510 0.014 0.000 1.078 223 N CA -0.124 52.936 53.050 0.016 0.000 0.902 223 N CB 0.114 38.610 38.487 0.014 0.000 0.970 223 N HN 0.327 nan 8.380 nan 0.000 0.451 224 E N 1.970 122.181 120.200 0.019 0.000 2.313 224 E HA 0.249 4.599 4.350 -0.000 0.000 0.272 224 E C -2.165 174.438 176.600 0.006 0.000 1.038 224 E CA -2.111 54.298 56.400 0.016 0.000 0.863 224 E CB 0.936 30.651 29.700 0.025 0.000 1.060 224 E HN 0.207 nan 8.360 nan 0.000 0.402 225 P HA 0.059 nan 4.420 nan 0.000 0.272 225 P C -1.989 175.303 177.300 -0.013 0.000 1.240 225 P CA -1.085 62.012 63.100 -0.006 0.000 0.791 225 P CB 0.264 31.962 31.700 -0.004 0.000 0.978 226 P HA -0.137 nan 4.420 nan 0.000 0.218 226 P C 1.660 178.931 177.300 -0.048 0.000 1.149 226 P CA 1.670 64.744 63.100 -0.044 0.000 0.817 226 P CB -0.612 31.056 31.700 -0.054 0.000 0.785 227 G N 0.694 109.475 108.800 -0.031 0.000 2.418 227 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 227 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 227 G C 1.813 176.706 174.900 -0.011 0.000 1.158 227 G CA 1.089 46.176 45.100 -0.023 0.000 0.771 227 G HN 0.368 nan 8.290 nan 0.000 0.545 228 A N 0.685 123.504 122.820 -0.002 0.000 1.873 228 A HA 0.038 4.358 4.320 -0.000 0.000 0.215 228 A C 2.426 180.017 177.584 0.011 0.000 1.186 228 A CA 1.561 53.604 52.037 0.010 0.000 0.616 228 A CB -0.393 18.617 19.000 0.016 0.000 0.823 228 A HN 0.334 nan 8.150 nan 0.000 0.442 229 R N -0.595 119.904 120.500 -0.001 0.000 2.096 229 R HA -0.091 4.249 4.340 -0.000 0.000 0.235 229 R C 2.367 178.664 176.300 -0.006 0.000 1.127 229 R CA 1.168 57.267 56.100 -0.001 0.000 0.968 229 R CB -0.390 29.898 30.300 -0.021 0.000 0.861 229 R HN 0.522 nan 8.270 nan 0.000 0.440 230 A N 0.587 123.370 122.820 -0.061 0.000 1.969 230 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 230 A C 1.825 179.430 177.584 0.034 0.000 1.169 230 A CA 1.036 52.990 52.037 -0.139 0.000 0.635 230 A CB 0.007 18.875 19.000 -0.219 0.000 0.810 230 A HN 0.072 nan 8.150 nan 0.000 0.445 231 R N -1.355 119.173 120.500 0.046 0.000 2.282 231 R HA 0.139 4.479 4.340 -0.000 0.000 0.195 231 R C 1.780 178.101 176.300 0.034 0.000 0.909 231 R CA 0.794 56.928 56.100 0.056 0.000 1.039 231 R CB -1.106 29.210 30.300 0.028 0.000 1.015 231 R HN 0.370 nan 8.270 nan 0.000 0.513 232 V N 1.490 121.427 119.914 0.037 0.000 2.594 232 V HA -0.150 3.970 4.120 -0.000 0.000 0.253 232 V C 2.094 178.177 176.094 -0.019 0.000 1.069 232 V CA 1.854 64.160 62.300 0.010 0.000 1.082 232 V CB -0.340 31.495 31.823 0.020 0.000 0.680 232 V HN 0.280 nan 8.190 nan 0.000 0.469 233 A N -0.054 122.767 122.820 0.001 0.000 1.902 233 A HA -0.142 4.177 4.320 -0.000 0.000 0.217 233 A C 2.107 179.626 177.584 -0.108 0.000 1.181 233 A CA 2.028 54.019 52.037 -0.076 0.000 0.623 233 A CB -0.527 18.404 19.000 -0.115 0.000 0.818 233 A HN 0.573 nan 8.150 nan 0.000 0.443 234 L N -0.655 120.520 121.223 -0.081 0.000 2.083 234 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 234 L C 2.727 179.530 176.870 -0.112 0.000 1.083 234 L CA 1.733 56.499 54.840 -0.122 0.000 0.752 234 L CB -1.316 40.639 42.059 -0.173 0.000 0.899 234 L HN 0.350 nan 8.230 nan 0.000 0.433 235 T N 0.012 114.515 114.554 -0.084 0.000 2.708 235 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 235 T C 1.910 176.573 174.700 -0.062 0.000 1.037 235 T CA 1.466 63.527 62.100 -0.064 0.000 1.146 235 T CB -0.622 68.224 68.868 -0.037 0.000 0.865 235 T HN 0.558 nan 8.240 nan 0.000 0.435 236 G N 1.529 110.286 108.800 -0.072 0.000 2.421 236 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.216 236 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.216 236 G C 1.399 176.259 174.900 -0.066 0.000 1.171 236 G CA 0.506 45.563 45.100 -0.073 0.000 0.775 236 G HN 0.314 nan 8.290 nan 0.000 0.543 237 L N 1.162 122.330 121.223 -0.092 0.000 2.042 237 L HA -0.066 4.273 4.340 -0.000 0.000 0.210 237 L C 3.141 179.978 176.870 -0.055 0.000 1.076 237 L CA 1.986 56.774 54.840 -0.086 0.000 0.749 237 L CB -1.274 40.716 42.059 -0.115 0.000 0.893 237 L HN 0.171 nan 8.230 nan 0.000 0.432 238 T N -1.140 113.378 114.554 -0.060 0.000 2.746 238 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 238 T C 2.077 176.751 174.700 -0.044 0.000 1.039 238 T CA 1.412 63.483 62.100 -0.049 0.000 1.142 238 T CB -0.301 68.532 68.868 -0.058 0.000 0.866 238 T HN 0.102 nan 8.240 nan 0.000 0.444 239 V N 1.703 121.588 119.914 -0.048 0.000 2.343 239 V HA -0.181 3.939 4.120 -0.000 0.000 0.247 239 V C 2.867 178.975 176.094 0.024 0.000 1.051 239 V CA 1.706 63.970 62.300 -0.060 0.000 1.036 239 V CB -1.181 30.638 31.823 -0.007 0.000 0.654 239 V HN 0.536 nan 8.190 nan 0.000 0.451 240 A N -0.475 122.395 122.820 0.083 0.000 1.898 240 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 240 A C 2.175 179.825 177.584 0.109 0.000 1.181 240 A CA 1.766 53.895 52.037 0.152 0.000 0.620 240 A CB -0.452 18.581 19.000 0.055 0.000 0.819 240 A HN 0.608 nan 8.150 nan 0.000 0.442 241 E N -1.602 118.617 120.200 0.032 0.000 2.077 241 E HA -0.224 4.125 4.350 -0.000 0.000 0.193 241 E C 1.818 178.414 176.600 -0.007 0.000 0.989 241 E CA 1.470 57.874 56.400 0.007 0.000 0.800 241 E CB -0.331 29.363 29.700 -0.010 0.000 0.746 241 E HN 0.790 nan 8.360 nan 0.000 0.452 242 Y N 0.441 120.648 120.300 -0.155 0.000 2.097 242 Y HA -0.281 4.269 4.550 -0.000 0.000 0.282 242 Y C 1.815 177.607 175.900 -0.179 0.000 1.152 242 Y CA 1.803 59.756 58.100 -0.244 0.000 1.136 242 Y CB -0.437 37.750 38.460 -0.456 0.000 0.975 242 Y HN -0.021 nan 8.280 nan 0.000 0.498 243 F N -0.084 119.897 119.950 0.051 0.000 2.186 243 F HA -0.148 4.378 4.527 -0.000 0.000 0.299 243 F C 2.769 178.548 175.800 -0.034 0.000 1.090 243 F CA 1.384 59.397 58.000 0.022 0.000 1.307 243 F CB -0.408 38.699 39.000 0.178 0.000 1.019 243 F HN -0.049 nan 8.300 nan 0.000 0.489 244 R N 0.602 121.186 120.500 0.139 0.000 2.073 244 R HA -0.171 4.169 4.340 -0.000 0.000 0.234 244 R C 1.426 177.711 176.300 -0.025 0.000 1.134 244 R CA 2.215 58.347 56.100 0.054 0.000 0.952 244 R CB -0.266 30.051 30.300 0.029 0.000 0.850 244 R HN 0.188 nan 8.270 nan 0.000 0.433 245 D N -0.617 119.725 120.400 -0.097 0.000 2.259 245 D HA -0.041 4.599 4.640 -0.000 0.000 0.216 245 D C 1.833 178.024 176.300 -0.181 0.000 0.961 245 D CA 0.714 54.642 54.000 -0.119 0.000 0.878 245 D CB 0.068 40.806 40.800 -0.103 0.000 1.009 245 D HN 0.200 nan 8.370 nan 0.000 0.490 246 Q N 0.121 119.699 119.800 -0.370 0.000 2.408 246 Q HA 0.093 4.433 4.340 -0.000 0.000 0.205 246 Q C 0.944 176.758 176.000 -0.310 0.000 0.919 246 Q CA 0.492 56.036 55.803 -0.432 0.000 0.932 246 Q CB 0.893 29.128 28.738 -0.838 0.000 1.058 246 Q HN 0.324 nan 8.270 nan 0.000 0.517 247 E N -0.870 119.198 120.200 -0.220 0.000 2.514 247 E HA 0.175 4.525 4.350 -0.000 0.000 0.215 247 E C 0.726 177.335 176.600 0.015 0.000 0.946 247 E CA 0.434 56.826 56.400 -0.014 0.000 1.038 247 E CB 0.735 30.544 29.700 0.183 0.000 1.069 247 E HN 0.369 nan 8.360 nan 0.000 0.503 248 G N 1.435 110.224 108.800 -0.019 0.000 2.205 248 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.269 248 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.269 248 G C 0.433 175.346 174.900 0.022 0.000 0.977 248 G CA 0.899 45.995 45.100 -0.006 0.000 0.652 248 G HN 0.243 nan 8.290 nan 0.000 0.539 249 Q N 0.655 120.495 119.800 0.066 0.000 2.443 249 Q HA 0.466 4.805 4.340 -0.000 0.000 0.232 249 Q C 0.016 176.049 176.000 0.055 0.000 1.026 249 Q CA -0.246 55.587 55.803 0.050 0.000 0.924 249 Q CB 0.403 29.185 28.738 0.074 0.000 1.256 249 Q HN 0.270 nan 8.270 nan 0.000 0.519 250 D N 0.422 120.834 120.400 0.020 0.000 2.358 250 D HA 0.199 4.838 4.640 -0.000 0.000 0.258 250 D C -1.100 175.331 176.300 0.219 0.000 1.223 250 D CA 0.197 54.261 54.000 0.106 0.000 0.886 250 D CB 0.472 41.343 40.800 0.119 0.000 1.120 250 D HN 0.101 nan 8.370 nan 0.000 0.482 251 V N 4.033 124.035 119.914 0.146 0.000 2.604 251 V HA 0.396 4.516 4.120 -0.000 0.000 0.305 251 V C 0.084 176.126 176.094 -0.086 0.000 1.043 251 V CA -0.865 61.498 62.300 0.105 0.000 0.888 251 V CB 1.731 33.627 31.823 0.122 0.000 0.995 251 V HN 0.317 nan 8.190 nan 0.000 0.429 252 L N 5.274 126.383 121.223 -0.189 0.000 2.296 252 L HA 0.618 4.958 4.340 -0.000 0.000 0.286 252 L C -0.814 175.855 176.870 -0.335 0.000 1.023 252 L CA -0.609 53.995 54.840 -0.393 0.000 0.812 252 L CB 1.607 43.370 42.059 -0.492 0.000 1.223 252 L HN 0.431 nan 8.230 nan 0.000 0.421 253 L N 3.969 124.905 121.223 -0.479 0.000 2.319 253 L HA 0.585 4.925 4.340 -0.000 0.000 0.281 253 L C -1.290 175.236 176.870 -0.574 0.000 1.005 253 L CA 0.086 54.709 54.840 -0.362 0.000 0.828 253 L CB 1.019 42.938 42.059 -0.233 0.000 1.227 253 L HN 0.224 nan 8.230 nan 0.000 0.415 254 F N 5.952 125.778 119.950 -0.206 0.000 2.444 254 F HA 0.620 5.146 4.527 -0.000 0.000 0.342 254 F C -0.003 175.390 175.800 -0.678 0.000 1.121 254 F CA -0.508 57.291 58.000 -0.336 0.000 0.997 254 F CB 1.499 40.405 39.000 -0.157 0.000 1.130 254 F HN 0.228 nan 8.300 nan 0.000 0.454 255 I N 2.824 123.162 120.570 -0.387 0.000 2.447 255 I HA 0.287 4.457 4.170 -0.000 0.000 0.287 255 I C -1.361 174.566 176.117 -0.317 0.000 1.023 255 I CA -0.527 60.503 61.300 -0.450 0.000 1.083 255 I CB 1.923 39.746 38.000 -0.295 0.000 1.245 255 I HN 0.429 nan 8.210 nan 0.000 0.434 256 D N 6.347 126.555 120.400 -0.320 0.000 2.421 256 D HA 0.286 4.926 4.640 -0.000 0.000 0.254 256 D C -1.282 175.036 176.300 0.029 0.000 1.238 256 D CA -0.190 53.791 54.000 -0.030 0.000 0.919 256 D CB 1.077 41.989 40.800 0.187 0.000 1.152 256 D HN 0.439 nan 8.370 nan 0.000 0.552 257 N N 4.444 123.168 118.700 0.041 0.000 2.397 257 N HA 0.124 4.864 4.740 -0.000 0.000 0.291 257 N C 0.421 175.968 175.510 0.062 0.000 1.065 257 N CA -0.479 52.606 53.050 0.058 0.000 0.884 257 N CB 1.539 40.110 38.487 0.141 0.000 1.551 257 N HN 0.271 nan 8.380 nan 0.000 0.487 258 I N 3.929 124.501 120.570 0.002 0.000 2.567 258 I HA -0.098 4.072 4.170 -0.000 0.000 0.257 258 I C 1.710 177.889 176.117 0.103 0.000 1.184 258 I CA 0.821 62.111 61.300 -0.015 0.000 1.451 258 I CB -0.488 37.427 38.000 -0.141 0.000 1.089 258 I HN 0.631 nan 8.210 nan 0.000 0.441 259 F N 1.350 121.322 119.950 0.036 0.000 2.161 259 F HA -0.242 4.285 4.527 -0.000 0.000 0.300 259 F C 2.289 178.174 175.800 0.141 0.000 1.089 259 F CA 1.492 59.558 58.000 0.111 0.000 1.282 259 F CB -0.350 38.755 39.000 0.176 0.000 1.010 259 F HN -0.029 nan 8.300 nan 0.000 0.485 260 R N 0.070 120.563 120.500 -0.010 0.000 2.152 260 R HA -0.195 4.145 4.340 -0.000 0.000 0.232 260 R C 2.187 178.406 176.300 -0.135 0.000 1.117 260 R CA 1.415 57.438 56.100 -0.128 0.000 0.981 260 R CB -1.793 28.527 30.300 0.033 0.000 0.870 260 R HN 0.516 nan 8.270 nan 0.000 0.451 261 F N 1.584 121.424 119.950 -0.183 0.000 2.095 261 F HA -0.215 4.311 4.527 -0.000 0.000 0.298 261 F C 1.971 177.668 175.800 -0.171 0.000 1.104 261 F CA 1.826 59.737 58.000 -0.147 0.000 1.232 261 F CB -0.308 38.621 39.000 -0.120 0.000 0.987 261 F HN -0.104 nan 8.300 nan 0.000 0.475 262 T N 0.065 114.540 114.554 -0.131 0.000 2.812 262 T HA -0.205 4.145 4.350 -0.000 0.000 0.264 262 T C 1.865 176.410 174.700 -0.259 0.000 1.042 262 T CA 1.399 63.372 62.100 -0.211 0.000 1.140 262 T CB -0.349 68.493 68.868 -0.043 0.000 0.870 262 T HN 0.453 nan 8.240 nan 0.000 0.445 263 Q N 0.783 120.299 119.800 -0.474 0.000 2.061 263 Q HA -0.121 4.219 4.340 -0.000 0.000 0.204 263 Q C 2.469 178.341 176.000 -0.214 0.000 0.984 263 Q CA 1.593 57.181 55.803 -0.358 0.000 0.846 263 Q CB -0.315 28.073 28.738 -0.584 0.000 0.902 263 Q HN 0.519 nan 8.270 nan 0.000 0.421 264 A N 0.479 123.155 122.820 -0.240 0.000 1.908 264 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 264 A C 2.283 179.751 177.584 -0.194 0.000 1.181 264 A CA 1.694 53.620 52.037 -0.186 0.000 0.627 264 A CB -1.380 17.511 19.000 -0.181 0.000 0.818 264 A HN 0.623 nan 8.150 nan 0.000 0.445 265 G N -1.156 107.477 108.800 -0.279 0.000 2.432 265 G HA2 -0.180 3.779 3.960 -0.000 0.000 0.219 265 G HA3 -0.180 3.779 3.960 -0.000 0.000 0.219 265 G C 1.879 176.713 174.900 -0.110 0.000 1.135 265 G CA 1.424 46.381 45.100 -0.237 0.000 0.767 265 G HN 0.543 nan 8.290 nan 0.000 0.550 266 S N 0.104 115.764 115.700 -0.066 0.000 2.383 266 S HA -0.079 4.391 4.470 -0.000 0.000 0.227 266 S C 2.249 176.816 174.600 -0.054 0.000 1.026 266 S CA 1.647 59.834 58.200 -0.021 0.000 0.981 266 S CB -0.239 62.946 63.200 -0.025 0.000 0.818 266 S HN 0.596 nan 8.310 nan 0.000 0.472 267 E N 0.431 120.589 120.200 -0.070 0.000 2.077 267 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 267 E C 2.247 178.818 176.600 -0.048 0.000 0.989 267 E CA 1.665 58.030 56.400 -0.058 0.000 0.800 267 E CB -0.342 29.322 29.700 -0.060 0.000 0.746 267 E HN 0.625 nan 8.360 nan 0.000 0.452 268 V N -1.122 118.758 119.914 -0.057 0.000 2.453 268 V HA -0.168 3.952 4.120 -0.000 0.000 0.247 268 V C 2.281 178.356 176.094 -0.033 0.000 1.048 268 V CA 2.012 64.285 62.300 -0.045 0.000 1.049 268 V CB -0.241 31.549 31.823 -0.054 0.000 0.672 268 V HN 0.125 nan 8.190 nan 0.000 0.457 269 S N 0.663 116.343 115.700 -0.033 0.000 2.383 269 S HA -0.137 4.333 4.470 -0.000 0.000 0.229 269 S C 2.183 176.776 174.600 -0.012 0.000 1.030 269 S CA 1.826 60.016 58.200 -0.016 0.000 1.002 269 S CB -0.699 62.499 63.200 -0.005 0.000 0.829 269 S HN 1.047 nan 8.310 nan 0.000 0.467 270 A N 1.133 123.942 122.820 -0.018 0.000 1.908 270 A HA -0.016 4.304 4.320 -0.000 0.000 0.218 270 A C 2.097 179.674 177.584 -0.012 0.000 1.181 270 A CA 1.545 53.572 52.037 -0.017 0.000 0.627 270 A CB -0.692 18.293 19.000 -0.025 0.000 0.818 270 A HN 0.587 nan 8.150 nan 0.000 0.445 271 L N -0.970 120.244 121.223 -0.014 0.000 2.313 271 L HA 0.027 4.367 4.340 -0.000 0.000 0.214 271 L C 1.932 178.799 176.870 -0.006 0.000 1.119 271 L CA 0.323 55.157 54.840 -0.010 0.000 0.809 271 L CB -0.304 41.748 42.059 -0.012 0.000 0.933 271 L HN 0.297 nan 8.230 nan 0.000 0.449 272 L N -0.016 121.203 121.223 -0.006 0.000 2.610 272 L HA 0.107 4.447 4.340 -0.000 0.000 0.232 272 L C 1.606 178.477 176.870 0.002 0.000 1.149 272 L CA 0.543 55.382 54.840 -0.001 0.000 0.872 272 L CB -0.616 41.442 42.059 -0.002 0.000 0.992 272 L HN 0.475 nan 8.230 nan 0.000 0.447 273 G N 0.533 109.333 108.800 0.001 0.000 2.166 273 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.260 273 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.260 273 G C 0.439 175.342 174.900 0.006 0.000 0.986 273 G CA 0.183 45.284 45.100 0.003 0.000 0.683 273 G HN 0.321 nan 8.290 nan 0.000 0.527 274 R N -0.460 120.044 120.500 0.007 0.000 2.758 274 R HA 0.373 4.713 4.340 -0.000 0.000 0.263 274 R C 1.285 177.593 176.300 0.013 0.000 1.010 274 R CA 0.085 56.191 56.100 0.011 0.000 1.114 274 R CB 0.222 30.529 30.300 0.013 0.000 0.985 274 R HN 0.375 nan 8.270 nan 0.000 0.439 275 I N 5.287 125.867 120.570 0.015 0.000 2.598 275 I HA 0.073 4.243 4.170 -0.000 0.000 0.284 275 I C -1.494 174.638 176.117 0.025 0.000 1.140 275 I CA -1.432 59.879 61.300 0.018 0.000 1.420 275 I CB 0.485 38.496 38.000 0.018 0.000 1.387 275 I HN 0.423 nan 8.210 nan 0.000 0.553 276 P HA 0.109 nan 4.420 nan 0.000 0.274 276 P C -0.447 176.884 177.300 0.052 0.000 1.237 276 P CA -0.326 62.797 63.100 0.038 0.000 0.793 276 P CB 1.444 33.159 31.700 0.026 0.000 0.977 277 S N 0.468 116.215 115.700 0.080 0.000 2.677 277 S HA 0.620 5.090 4.470 -0.000 0.000 0.290 277 S C -0.018 174.648 174.600 0.110 0.000 1.124 277 S CA -0.454 57.800 58.200 0.090 0.000 1.017 277 S CB 0.135 63.397 63.200 0.102 0.000 1.215 277 S HN 0.621 nan 8.310 nan 0.000 0.524 278 A N 0.363 123.255 122.820 0.120 0.000 2.561 278 A HA 0.389 4.709 4.320 -0.000 0.000 0.234 278 A C 0.993 178.695 177.584 0.196 0.000 1.055 278 A CA 0.463 52.579 52.037 0.131 0.000 0.756 278 A CB -0.908 18.164 19.000 0.120 0.000 0.986 278 A HN 1.698 nan 8.150 nan 0.000 0.505 279 V N 1.041 121.035 119.914 0.132 0.000 3.774 279 V HA -0.297 3.823 4.120 -0.000 0.000 0.216 279 V C 1.757 177.826 176.094 -0.042 0.000 0.441 279 V CA 1.538 63.896 62.300 0.097 0.000 0.985 279 V CB -2.533 29.421 31.823 0.219 0.000 1.085 279 V HN 2.950 nan 8.190 nan 0.000 1.240 280 G N -2.387 106.408 108.800 -0.009 0.000 2.162 280 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.260 280 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.260 280 G C -0.097 174.752 174.900 -0.084 0.000 0.976 280 G CA 0.470 45.531 45.100 -0.066 0.000 0.655 280 G HN 0.909 nan 8.290 nan 0.000 0.533 281 Y N 1.623 121.946 120.300 0.037 0.000 2.357 281 Y HA 0.358 4.908 4.550 -0.000 0.000 0.340 281 Y C 1.509 177.417 175.900 0.014 0.000 1.260 281 Y CA -0.104 58.013 58.100 0.028 0.000 1.425 281 Y CB 0.513 39.002 38.460 0.048 0.000 1.326 281 Y HN 0.406 nan 8.280 nan 0.000 0.580 282 Q N 3.913 123.837 119.800 0.207 0.000 2.333 282 Q HA -0.034 4.306 4.340 -0.000 0.000 0.299 282 Q C -2.258 173.800 176.000 0.096 0.000 1.067 282 Q CA -1.214 54.651 55.803 0.103 0.000 0.943 282 Q CB 0.538 29.310 28.738 0.056 0.000 1.233 282 Q HN 0.426 nan 8.270 nan 0.000 0.401 283 P HA -0.099 nan 4.420 nan 0.000 0.225 283 P C 0.832 178.159 177.300 0.044 0.000 1.148 283 P CA 1.373 64.505 63.100 0.054 0.000 0.779 283 P CB -0.036 31.688 31.700 0.040 0.000 0.780 284 T N -4.073 110.504 114.554 0.039 0.000 3.163 284 T HA 0.152 4.502 4.350 -0.000 0.000 0.252 284 T C 1.563 176.287 174.700 0.040 0.000 1.056 284 T CA -0.340 61.780 62.100 0.035 0.000 0.947 284 T CB -0.918 67.965 68.868 0.024 0.000 1.016 284 T HN -0.041 nan 8.240 nan 0.000 0.554 285 L N 1.044 122.288 121.223 0.036 0.000 2.021 285 L HA -0.129 4.210 4.340 -0.000 0.000 0.215 285 L C 2.780 179.680 176.870 0.051 0.000 1.074 285 L CA 2.104 56.957 54.840 0.021 0.000 0.760 285 L CB -0.664 41.369 42.059 -0.043 0.000 0.889 285 L HN 0.413 nan 8.230 nan 0.000 0.433 286 A N -0.888 121.964 122.820 0.054 0.000 1.897 286 A HA -0.173 4.146 4.320 -0.000 0.000 0.215 286 A C 2.325 179.970 177.584 0.101 0.000 1.181 286 A CA 1.899 53.987 52.037 0.085 0.000 0.620 286 A CB -1.087 17.957 19.000 0.073 0.000 0.821 286 A HN 0.630 nan 8.150 nan 0.000 0.443 287 T N -2.054 112.547 114.554 0.079 0.000 2.857 287 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 287 T C 1.356 176.109 174.700 0.089 0.000 1.048 287 T CA 1.423 63.569 62.100 0.076 0.000 1.139 287 T CB -0.467 68.434 68.868 0.055 0.000 0.874 287 T HN 0.316 nan 8.240 nan 0.000 0.455 288 D N 1.027 121.489 120.400 0.104 0.000 2.104 288 D HA -0.064 4.575 4.640 -0.000 0.000 0.194 288 D C 1.991 178.434 176.300 0.239 0.000 0.994 288 D CA 1.139 55.240 54.000 0.169 0.000 0.830 288 D CB -0.439 40.441 40.800 0.133 0.000 0.959 288 D HN 0.387 nan 8.370 nan 0.000 0.452 289 M N 0.361 120.074 119.600 0.189 0.000 2.117 289 M HA -0.090 4.390 4.480 -0.000 0.000 0.262 289 M C 2.043 178.253 176.300 -0.150 0.000 1.065 289 M CA 2.001 57.323 55.300 0.036 0.000 1.114 289 M CB -0.216 32.405 32.600 0.035 0.000 1.361 289 M HN 0.034 nan 8.290 nan 0.000 0.408 290 G N -0.458 108.341 108.800 -0.001 0.000 2.421 290 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.216 290 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.216 290 G C 1.441 176.339 174.900 -0.004 0.000 1.171 290 G CA 1.582 46.713 45.100 0.051 0.000 0.775 290 G HN 0.602 nan 8.290 nan 0.000 0.543 291 T N -1.561 113.004 114.554 0.018 0.000 2.833 291 T HA -0.077 4.273 4.350 -0.000 0.000 0.269 291 T C 2.224 176.905 174.700 -0.031 0.000 1.054 291 T CA 1.617 63.729 62.100 0.020 0.000 1.135 291 T CB -0.161 68.745 68.868 0.063 0.000 0.869 291 T HN 0.149 nan 8.240 nan 0.000 0.466 292 M N 0.392 119.930 119.600 -0.103 0.000 2.134 292 M HA 0.015 4.495 4.480 -0.000 0.000 0.262 292 M C 2.319 178.455 176.300 -0.274 0.000 1.076 292 M CA 1.418 56.577 55.300 -0.234 0.000 1.143 292 M CB -0.719 31.573 32.600 -0.513 0.000 1.346 292 M HN 0.164 nan 8.290 nan 0.000 0.421 293 Q N 0.700 120.292 119.800 -0.347 0.000 2.084 293 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 293 Q C 1.773 177.673 176.000 -0.166 0.000 0.978 293 Q CA 1.355 56.945 55.803 -0.355 0.000 0.844 293 Q CB -0.528 27.779 28.738 -0.718 0.000 0.898 293 Q HN 0.560 nan 8.270 nan 0.000 0.426 294 E N 0.372 120.521 120.200 -0.085 0.000 2.333 294 E HA -0.142 4.208 4.350 -0.000 0.000 0.198 294 E C 1.812 178.394 176.600 -0.031 0.000 1.007 294 E CA 0.556 56.951 56.400 -0.007 0.000 0.845 294 E CB -0.033 29.688 29.700 0.035 0.000 0.766 294 E HN 0.323 nan 8.360 nan 0.000 0.507 295 R N 0.002 120.463 120.500 -0.065 0.000 2.161 295 R HA 0.148 4.488 4.340 -0.000 0.000 0.213 295 R C 0.975 177.228 176.300 -0.078 0.000 1.055 295 R CA 0.177 56.239 56.100 -0.063 0.000 0.996 295 R CB 0.171 30.428 30.300 -0.071 0.000 0.901 295 R HN 0.068 nan 8.270 nan 0.000 0.456 296 I N 1.805 122.312 120.570 -0.106 0.000 2.278 296 I HA 0.040 4.209 4.170 -0.000 0.000 0.300 296 I C -0.058 176.006 176.117 -0.088 0.000 1.174 296 I CA 0.357 61.587 61.300 -0.116 0.000 1.347 296 I CB 0.426 38.330 38.000 -0.161 0.000 1.473 296 I HN -0.069 nan 8.210 nan 0.000 0.595 297 T N 2.865 117.376 114.554 -0.071 0.000 2.957 297 T HA 0.217 4.567 4.350 -0.000 0.000 0.336 297 T C -0.297 174.372 174.700 -0.052 0.000 1.462 297 T CA -0.394 61.672 62.100 -0.057 0.000 1.073 297 T CB 1.491 70.336 68.868 -0.038 0.000 1.319 297 T HN 0.313 nan 8.240 nan 0.000 0.485 298 T N 3.591 118.115 114.554 -0.052 0.000 2.926 298 T HA 0.551 4.901 4.350 -0.000 0.000 0.307 298 T C 0.525 175.198 174.700 -0.045 0.000 1.059 298 T CA 0.019 62.092 62.100 -0.045 0.000 1.122 298 T CB 0.586 69.427 68.868 -0.044 0.000 0.972 298 T HN 0.883 nan 8.240 nan 0.000 0.545 299 T N -0.414 114.115 114.554 -0.042 0.000 2.831 299 T HA 0.460 4.810 4.350 -0.000 0.000 0.287 299 T C 0.928 175.600 174.700 -0.046 0.000 1.070 299 T CA -1.118 60.953 62.100 -0.048 0.000 1.010 299 T CB 1.415 70.258 68.868 -0.042 0.000 1.264 299 T HN 0.400 nan 8.240 nan 0.000 0.532 300 K N -0.050 120.319 120.400 -0.052 0.000 2.360 300 K HA -0.033 4.287 4.320 -0.000 0.000 0.201 300 K C 1.991 178.570 176.600 -0.035 0.000 1.046 300 K CA 0.956 57.216 56.287 -0.045 0.000 0.945 300 K CB -0.070 32.401 32.500 -0.049 0.000 0.750 300 K HN 0.487 nan 8.250 nan 0.000 0.464 301 K N 0.031 120.411 120.400 -0.033 0.000 2.243 301 K HA 0.001 4.321 4.320 -0.000 0.000 0.201 301 K C 0.434 177.020 176.600 -0.024 0.000 1.051 301 K CA 0.612 56.881 56.287 -0.030 0.000 0.970 301 K CB 0.532 33.013 32.500 -0.033 0.000 0.755 301 K HN 0.210 nan 8.250 nan 0.000 0.465 302 G N -0.772 108.015 108.800 -0.021 0.000 2.489 302 G HA2 0.174 4.134 3.960 -0.000 0.000 0.291 302 G HA3 0.174 4.134 3.960 -0.000 0.000 0.291 302 G C -1.770 173.125 174.900 -0.009 0.000 1.487 302 G CA -0.686 44.408 45.100 -0.009 0.000 0.795 302 G HN -0.059 nan 8.290 nan 0.000 0.513 303 S N -0.367 115.334 115.700 0.001 0.000 2.462 303 S HA 0.726 5.196 4.470 -0.000 0.000 0.294 303 S C -0.178 174.415 174.600 -0.011 0.000 1.144 303 S CA -0.667 57.528 58.200 -0.008 0.000 1.088 303 S CB 0.319 63.518 63.200 -0.002 0.000 1.009 303 S HN 0.475 nan 8.310 nan 0.000 0.484 304 I N 4.480 125.026 120.570 -0.041 0.000 2.382 304 I HA 0.234 4.404 4.170 -0.000 0.000 0.285 304 I C -0.171 175.873 176.117 -0.121 0.000 1.007 304 I CA -0.488 60.767 61.300 -0.075 0.000 1.142 304 I CB 2.008 39.962 38.000 -0.076 0.000 1.289 304 I HN 0.499 nan 8.210 nan 0.000 0.453 305 T N 4.510 118.962 114.554 -0.170 0.000 2.723 305 T HA 0.250 4.600 4.350 -0.000 0.000 0.297 305 T C 0.223 174.724 174.700 -0.331 0.000 0.925 305 T CA -0.528 61.440 62.100 -0.220 0.000 1.030 305 T CB 0.409 69.146 68.868 -0.218 0.000 0.905 305 T HN 0.656 nan 8.240 nan 0.000 0.502 306 S N 2.343 117.865 115.700 -0.296 0.000 2.451 306 S HA 0.685 5.155 4.470 -0.000 0.000 0.301 306 S C -0.424 173.961 174.600 -0.357 0.000 1.116 306 S CA -0.839 57.155 58.200 -0.343 0.000 1.093 306 S CB 1.289 64.339 63.200 -0.251 0.000 1.017 306 S HN 0.384 nan 8.310 nan 0.000 0.482 307 V N 3.616 123.291 119.914 -0.399 0.000 2.376 307 V HA 0.431 4.551 4.120 -0.000 0.000 0.287 307 V C -0.563 175.428 176.094 -0.171 0.000 1.015 307 V CA -0.526 61.620 62.300 -0.256 0.000 0.834 307 V CB 1.109 32.877 31.823 -0.091 0.000 1.001 307 V HN 0.960 nan 8.190 nan 0.000 0.428 308 Q N 3.163 122.853 119.800 -0.183 0.000 2.331 308 Q HA 0.755 5.095 4.340 -0.000 0.000 0.267 308 Q C -0.223 175.679 176.000 -0.163 0.000 1.006 308 Q CA -0.574 55.120 55.803 -0.181 0.000 0.818 308 Q CB 2.646 31.250 28.738 -0.224 0.000 1.276 308 Q HN 0.857 nan 8.270 nan 0.000 0.450 309 A N 3.428 126.187 122.820 -0.101 0.000 2.401 309 A HA 0.545 4.865 4.320 -0.000 0.000 0.259 309 A C -0.360 177.157 177.584 -0.112 0.000 1.103 309 A CA -0.224 51.771 52.037 -0.070 0.000 0.789 309 A CB 0.108 19.125 19.000 0.028 0.000 1.035 309 A HN 0.759 nan 8.150 nan 0.000 0.491 310 I N 2.745 123.201 120.570 -0.190 0.000 2.493 310 I HA 0.147 4.316 4.170 -0.000 0.000 0.279 310 I C -0.717 175.343 176.117 -0.094 0.000 1.045 310 I CA -0.416 60.742 61.300 -0.236 0.000 1.106 310 I CB 1.048 38.579 38.000 -0.782 0.000 1.216 310 I HN 0.741 nan 8.210 nan 0.000 0.459 311 Y N 6.858 127.107 120.300 -0.084 0.000 2.597 311 Y HA 0.283 4.833 4.550 -0.000 0.000 0.336 311 Y C -0.264 175.418 175.900 -0.364 0.000 1.216 311 Y CA 0.183 58.159 58.100 -0.208 0.000 1.463 311 Y CB 0.801 39.112 38.460 -0.247 0.000 1.303 311 Y HN 0.263 nan 8.280 nan 0.000 0.576 312 V N 8.930 128.285 119.914 -0.932 0.000 2.326 312 V HA 0.291 4.411 4.120 -0.000 0.000 0.281 312 V C -2.298 173.311 176.094 -0.808 0.000 1.015 312 V CA -2.117 59.817 62.300 -0.609 0.000 0.823 312 V CB 1.040 32.716 31.823 -0.244 0.000 1.009 312 V HN 0.704 nan 8.190 nan 0.000 0.436 313 P HA 0.200 nan 4.420 nan 0.000 0.267 313 P C 0.589 177.830 177.300 -0.099 0.000 1.209 313 P CA 0.520 63.510 63.100 -0.182 0.000 0.763 313 P CB 0.829 32.567 31.700 0.063 0.000 0.816 314 A N 3.894 126.683 122.820 -0.052 0.000 2.799 314 A HA -0.257 4.063 4.320 -0.000 0.000 0.287 314 A C 0.836 178.391 177.584 -0.050 0.000 1.484 314 A CA 1.220 53.246 52.037 -0.019 0.000 0.813 314 A CB -2.613 16.401 19.000 0.023 0.000 1.009 314 A HN 0.609 nan 8.150 nan 0.000 0.545 315 D N -1.960 118.370 120.400 -0.116 0.000 3.059 315 D HA -0.182 4.458 4.640 -0.000 0.000 0.220 315 D C -0.231 176.037 176.300 -0.052 0.000 1.169 315 D CA 2.185 56.128 54.000 -0.095 0.000 0.902 315 D CB -1.171 39.596 40.800 -0.056 0.000 1.116 315 D HN 1.011 nan 8.370 nan 0.000 0.417 316 D N 0.188 120.565 120.400 -0.039 0.000 2.443 316 D HA 0.252 4.892 4.640 -0.000 0.000 0.221 316 D C 1.288 177.608 176.300 0.033 0.000 1.097 316 D CA -0.465 53.537 54.000 0.004 0.000 0.865 316 D CB 0.325 41.141 40.800 0.026 0.000 1.034 316 D HN 0.090 nan 8.370 nan 0.000 0.511 317 L N 2.605 123.854 121.223 0.043 0.000 2.456 317 L HA -0.054 4.286 4.340 -0.000 0.000 0.224 317 L C 2.146 179.093 176.870 0.127 0.000 1.148 317 L CA 1.242 56.144 54.840 0.103 0.000 0.825 317 L CB -0.346 41.766 42.059 0.087 0.000 0.937 317 L HN 0.522 nan 8.230 nan 0.000 0.450 318 T N -4.829 109.772 114.554 0.078 0.000 3.100 318 T HA -0.065 4.285 4.350 -0.000 0.000 0.253 318 T C 0.788 175.552 174.700 0.105 0.000 1.118 318 T CA -0.388 61.758 62.100 0.077 0.000 1.058 318 T CB -0.271 68.622 68.868 0.043 0.000 0.953 318 T HN 0.199 nan 8.240 nan 0.000 0.515 319 D N 2.725 123.200 120.400 0.126 0.000 2.533 319 D HA 0.019 4.659 4.640 -0.000 0.000 0.236 319 D C -1.489 174.895 176.300 0.141 0.000 1.137 319 D CA -1.346 52.758 54.000 0.173 0.000 0.867 319 D CB 1.474 42.398 40.800 0.207 0.000 1.170 319 D HN 0.036 nan 8.370 nan 0.000 0.474 320 P HA -0.190 nan 4.420 nan 0.000 0.217 320 P C 0.812 178.050 177.300 -0.103 0.000 1.148 320 P CA 1.767 64.832 63.100 -0.058 0.000 0.834 320 P CB 0.161 31.742 31.700 -0.198 0.000 0.783 321 A N 0.241 122.982 122.820 -0.132 0.000 1.832 321 A HA -0.101 4.219 4.320 -0.000 0.000 0.214 321 A C -0.012 177.675 177.584 0.173 0.000 1.200 321 A CA 2.084 54.139 52.037 0.031 0.000 0.610 321 A CB -2.209 16.980 19.000 0.314 0.000 0.842 321 A HN 0.207 nan 8.150 nan 0.000 0.444 322 P HA -0.130 nan 4.420 nan 0.000 0.217 322 P C 1.597 179.087 177.300 0.318 0.000 1.150 322 P CA 1.996 65.261 63.100 0.276 0.000 0.832 322 P CB -0.216 31.659 31.700 0.291 0.000 0.787 323 A N 0.087 123.088 122.820 0.300 0.000 1.908 323 A HA -0.161 4.158 4.320 -0.000 0.000 0.218 323 A C 2.268 180.053 177.584 0.335 0.000 1.181 323 A CA 2.553 54.802 52.037 0.353 0.000 0.627 323 A CB -1.920 17.192 19.000 0.187 0.000 0.818 323 A HN 0.234 nan 8.150 nan 0.000 0.445 324 T N -0.645 114.039 114.554 0.218 0.000 3.023 324 T HA -0.031 4.319 4.350 -0.000 0.000 0.266 324 T C 1.769 176.627 174.700 0.262 0.000 1.093 324 T CA 1.516 63.731 62.100 0.191 0.000 1.129 324 T CB -0.253 68.689 68.868 0.124 0.000 0.899 324 T HN 0.542 nan 8.240 nan 0.000 0.491 325 T N 1.645 116.348 114.554 0.248 0.000 2.951 325 T HA 0.081 4.431 4.350 -0.000 0.000 0.268 325 T C 1.472 176.327 174.700 0.258 0.000 1.073 325 T CA 0.568 62.799 62.100 0.219 0.000 1.134 325 T CB -0.446 68.443 68.868 0.035 0.000 0.884 325 T HN 0.335 nan 8.240 nan 0.000 0.479 326 F N 2.036 122.171 119.950 0.307 0.000 2.120 326 F HA -0.128 4.399 4.527 -0.000 0.000 0.300 326 F C 2.663 178.526 175.800 0.106 0.000 1.095 326 F CA 1.110 59.242 58.000 0.220 0.000 1.249 326 F CB -0.497 38.532 39.000 0.048 0.000 0.995 326 F HN 0.141 nan 8.300 nan 0.000 0.480 327 A N -1.545 121.393 122.820 0.196 0.000 2.172 327 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 327 A C 1.531 179.036 177.584 -0.131 0.000 1.154 327 A CA 1.117 53.148 52.037 -0.010 0.000 0.701 327 A CB -0.896 18.034 19.000 -0.116 0.000 0.789 327 A HN 0.462 nan 8.150 nan 0.000 0.465 328 H N -1.006 118.113 119.070 0.081 0.000 2.539 328 H HA 0.323 4.879 4.556 -0.000 0.000 0.269 328 H C -0.224 175.112 175.328 0.013 0.000 0.980 328 H CA 0.282 56.346 56.048 0.027 0.000 1.152 328 H CB 0.026 29.782 29.762 -0.011 0.000 1.407 328 H HN 0.345 nan 8.280 nan 0.000 0.564 329 L N 0.280 121.581 121.223 0.130 0.000 2.342 329 L HA 0.224 4.564 4.340 -0.000 0.000 0.271 329 L C 0.727 177.644 176.870 0.078 0.000 1.008 329 L CA -0.647 54.248 54.840 0.092 0.000 0.818 329 L CB 2.040 44.174 42.059 0.126 0.000 1.296 329 L HN -0.126 nan 8.230 nan 0.000 0.427 330 D N 1.026 121.453 120.400 0.044 0.000 2.277 330 D HA 0.163 4.803 4.640 -0.000 0.000 0.209 330 D C 0.334 176.679 176.300 0.075 0.000 0.970 330 D CA 0.618 54.646 54.000 0.046 0.000 0.874 330 D CB 0.834 41.645 40.800 0.019 0.000 0.982 330 D HN 0.507 nan 8.370 nan 0.000 0.504 331 A N 0.703 123.567 122.820 0.074 0.000 2.398 331 A HA 0.565 4.885 4.320 -0.000 0.000 0.301 331 A C -0.342 177.340 177.584 0.163 0.000 1.041 331 A CA -0.606 51.516 52.037 0.141 0.000 0.711 331 A CB 1.438 20.566 19.000 0.214 0.000 1.240 331 A HN -0.010 nan 8.150 nan 0.000 0.420 332 T N -0.595 114.103 114.554 0.239 0.000 2.829 332 T HA 0.697 5.047 4.350 -0.000 0.000 0.280 332 T C -0.421 174.467 174.700 0.313 0.000 0.999 332 T CA -0.490 61.797 62.100 0.312 0.000 0.983 332 T CB 1.328 70.423 68.868 0.378 0.000 0.968 332 T HN 0.452 nan 8.240 nan 0.000 0.446 333 T N 3.153 117.913 114.554 0.343 0.000 2.821 333 T HA 0.458 4.808 4.350 -0.000 0.000 0.307 333 T C -0.170 174.715 174.700 0.308 0.000 1.034 333 T CA -0.561 61.720 62.100 0.301 0.000 0.953 333 T CB 0.697 69.758 68.868 0.322 0.000 0.968 333 T HN 0.632 nan 8.240 nan 0.000 0.462 334 V N 5.835 125.888 119.914 0.232 0.000 2.348 334 V HA 0.369 4.489 4.120 -0.000 0.000 0.270 334 V C 0.221 176.399 176.094 0.140 0.000 1.037 334 V CA -0.721 61.697 62.300 0.198 0.000 0.872 334 V CB 0.586 32.465 31.823 0.093 0.000 1.002 334 V HN 0.742 nan 8.190 nan 0.000 0.464 335 L N 3.777 125.090 121.223 0.150 0.000 2.399 335 L HA 0.648 4.988 4.340 -0.000 0.000 0.265 335 L C 0.407 177.311 176.870 0.057 0.000 1.089 335 L CA 0.034 54.934 54.840 0.100 0.000 0.802 335 L CB 1.637 43.766 42.059 0.115 0.000 1.180 335 L HN 0.656 nan 8.230 nan 0.000 0.454 336 S N 0.623 116.336 115.700 0.022 0.000 2.557 336 S HA 0.334 4.804 4.470 -0.000 0.000 0.291 336 S C 0.535 175.121 174.600 -0.023 0.000 1.116 336 S CA -0.790 57.407 58.200 -0.005 0.000 0.992 336 S CB 1.735 64.925 63.200 -0.018 0.000 1.028 336 S HN 0.711 nan 8.310 nan 0.000 0.484 337 R N 3.400 123.888 120.500 -0.020 0.000 2.081 337 R HA -0.058 4.282 4.340 -0.000 0.000 0.235 337 R C 2.142 178.419 176.300 -0.039 0.000 1.131 337 R CA 1.927 58.015 56.100 -0.021 0.000 0.960 337 R CB -0.723 29.570 30.300 -0.013 0.000 0.856 337 R HN 0.790 nan 8.270 nan 0.000 0.436 338 A N 1.132 123.928 122.820 -0.040 0.000 1.908 338 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 338 A C 2.159 179.703 177.584 -0.066 0.000 1.181 338 A CA 1.588 53.597 52.037 -0.046 0.000 0.627 338 A CB -0.541 18.433 19.000 -0.044 0.000 0.818 338 A HN 0.382 nan 8.150 nan 0.000 0.445 339 I N -0.391 120.134 120.570 -0.076 0.000 2.252 339 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 339 I C 3.000 178.997 176.117 -0.199 0.000 1.102 339 I CA 0.969 62.207 61.300 -0.102 0.000 1.385 339 I CB -0.457 37.496 38.000 -0.078 0.000 1.064 339 I HN 0.367 nan 8.210 nan 0.000 0.414 340 A N 0.644 123.320 122.820 -0.240 0.000 1.892 340 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 340 A C 2.201 179.612 177.584 -0.288 0.000 1.188 340 A CA 1.887 53.662 52.037 -0.437 0.000 0.631 340 A CB -0.661 18.231 19.000 -0.180 0.000 0.822 340 A HN 0.467 nan 8.150 nan 0.000 0.447 341 E N -0.473 119.655 120.200 -0.120 0.000 2.268 341 E HA -0.069 4.281 4.350 -0.000 0.000 0.195 341 E C 1.584 178.152 176.600 -0.052 0.000 0.995 341 E CA 0.642 57.012 56.400 -0.049 0.000 0.836 341 E CB -0.216 29.469 29.700 -0.024 0.000 0.763 341 E HN 0.640 nan 8.360 nan 0.000 0.491 342 L N -0.462 120.712 121.223 -0.082 0.000 2.552 342 L HA 0.044 4.384 4.340 -0.000 0.000 0.227 342 L C 1.485 178.312 176.870 -0.071 0.000 1.146 342 L CA 0.529 55.328 54.840 -0.067 0.000 0.858 342 L CB -0.027 41.998 42.059 -0.056 0.000 0.969 342 L HN 0.293 nan 8.230 nan 0.000 0.451 343 G N 0.038 108.780 108.800 -0.097 0.000 2.157 343 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.248 343 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.248 343 G C 0.266 175.205 174.900 0.066 0.000 0.979 343 G CA -0.462 44.647 45.100 0.016 0.000 0.650 343 G HN 0.139 nan 8.290 nan 0.000 0.529 344 I N 1.244 121.746 120.570 -0.114 0.000 2.363 344 I HA 0.387 4.557 4.170 -0.000 0.000 0.292 344 I C 0.051 175.965 176.117 -0.338 0.000 1.075 344 I CA -0.289 60.977 61.300 -0.055 0.000 1.333 344 I CB -0.554 37.431 38.000 -0.025 0.000 1.415 344 I HN 0.114 nan 8.210 nan 0.000 0.502 345 Y N 7.267 127.547 120.300 -0.032 0.000 2.425 345 Y HA 0.380 4.930 4.550 -0.000 0.000 0.344 345 Y C -2.021 173.686 175.900 -0.323 0.000 0.969 345 Y CA -2.391 55.612 58.100 -0.162 0.000 1.052 345 Y CB 2.283 40.637 38.460 -0.176 0.000 1.215 345 Y HN 0.423 nan 8.280 nan 0.000 0.451 346 P HA 0.032 nan 4.420 nan 0.000 0.268 346 P C -0.390 176.918 177.300 0.014 0.000 1.205 346 P CA -0.058 63.013 63.100 -0.048 0.000 0.771 346 P CB 1.079 32.786 31.700 0.013 0.000 0.858 347 A N 3.704 126.550 122.820 0.044 0.000 2.810 347 A HA 0.197 4.517 4.320 -0.000 0.000 0.247 347 A C 0.531 178.118 177.584 0.006 0.000 1.576 347 A CA -0.272 51.727 52.037 -0.062 0.000 1.294 347 A CB -1.170 17.766 19.000 -0.106 0.000 0.976 347 A HN 0.378 nan 8.150 nan 0.000 0.631 348 V N 1.196 121.129 119.914 0.032 0.000 2.555 348 V HA 0.044 4.164 4.120 -0.000 0.000 0.286 348 V C 0.392 176.503 176.094 0.028 0.000 1.044 348 V CA -0.448 61.885 62.300 0.055 0.000 1.026 348 V CB 1.117 32.983 31.823 0.071 0.000 0.981 348 V HN 0.596 nan 8.190 nan 0.000 0.480 349 D N 8.028 128.447 120.400 0.031 0.000 2.374 349 D HA 0.166 4.806 4.640 -0.000 0.000 0.240 349 D C -1.215 175.091 176.300 0.009 0.000 1.229 349 D CA -2.109 51.898 54.000 0.010 0.000 0.895 349 D CB 1.624 42.425 40.800 0.003 0.000 1.046 349 D HN 0.280 nan 8.370 nan 0.000 0.498 350 P HA -0.059 nan 4.420 nan 0.000 0.230 350 P C 1.023 178.310 177.300 -0.021 0.000 1.158 350 P CA 0.567 63.659 63.100 -0.014 0.000 0.769 350 P CB 0.364 32.052 31.700 -0.020 0.000 0.807 351 L N -1.240 119.970 121.223 -0.021 0.000 2.728 351 L HA 0.283 4.622 4.340 -0.000 0.000 0.238 351 L C 1.095 177.941 176.870 -0.040 0.000 1.143 351 L CA 0.307 55.127 54.840 -0.032 0.000 0.937 351 L CB 0.037 42.075 42.059 -0.036 0.000 1.225 351 L HN -0.159 nan 8.230 nan 0.000 0.507 352 D N -0.850 119.533 120.400 -0.028 0.000 2.556 352 D HA 0.110 4.750 4.640 -0.000 0.000 0.237 352 D C -0.089 176.211 176.300 -0.000 0.000 1.296 352 D CA 0.228 54.202 54.000 -0.042 0.000 0.807 352 D CB 0.832 41.599 40.800 -0.054 0.000 1.084 352 D HN -0.108 nan 8.370 nan 0.000 0.510 353 S N -0.097 115.620 115.700 0.029 0.000 2.449 353 S HA 0.665 5.135 4.470 -0.000 0.000 0.310 353 S C -0.085 174.557 174.600 0.069 0.000 1.096 353 S CA -0.635 57.614 58.200 0.081 0.000 1.095 353 S CB 1.767 65.024 63.200 0.095 0.000 1.007 353 S HN 0.271 nan 8.310 nan 0.000 0.474 354 T N -0.725 113.890 114.554 0.102 0.000 2.901 354 T HA 0.827 5.177 4.350 -0.000 0.000 0.293 354 T C -0.676 174.093 174.700 0.115 0.000 1.084 354 T CA -0.857 61.292 62.100 0.083 0.000 1.008 354 T CB 1.886 70.788 68.868 0.057 0.000 1.170 354 T HN 0.434 nan 8.240 nan 0.000 0.509 355 S N -0.698 115.057 115.700 0.093 0.000 2.546 355 S HA 0.397 4.867 4.470 -0.000 0.000 0.272 355 S C 0.704 175.347 174.600 0.072 0.000 1.140 355 S CA -0.852 57.408 58.200 0.100 0.000 0.920 355 S CB 1.635 64.903 63.200 0.113 0.000 1.083 355 S HN 0.791 nan 8.310 nan 0.000 0.476 356 R N 2.098 122.637 120.500 0.064 0.000 2.152 356 R HA 0.002 4.341 4.340 -0.000 0.000 0.232 356 R C 1.731 178.050 176.300 0.032 0.000 1.117 356 R CA 1.913 58.039 56.100 0.044 0.000 0.981 356 R CB -0.567 29.754 30.300 0.036 0.000 0.870 356 R HN 0.817 nan 8.270 nan 0.000 0.451 357 I N -2.444 118.146 120.570 0.032 0.000 3.684 357 I HA 0.132 4.302 4.170 -0.000 0.000 0.304 357 I C 0.690 176.804 176.117 -0.005 0.000 1.278 357 I CA -0.170 61.135 61.300 0.009 0.000 1.272 357 I CB 0.011 38.016 38.000 0.008 0.000 1.029 357 I HN -0.062 nan 8.210 nan 0.000 0.458 358 M N 3.345 122.961 119.600 0.027 0.000 3.070 358 M HA 0.252 4.731 4.480 -0.000 0.000 0.275 358 M C -0.896 175.494 176.300 0.151 0.000 1.510 358 M CA 0.139 55.482 55.300 0.072 0.000 1.608 358 M CB -1.226 31.423 32.600 0.082 0.000 1.266 358 M HN 0.286 nan 8.290 nan 0.000 0.514 359 D N 5.220 125.654 120.400 0.056 0.000 2.966 359 D HA 0.324 4.964 4.640 -0.000 0.000 0.222 359 D C -2.473 173.691 176.300 -0.227 0.000 1.292 359 D CA -1.276 52.649 54.000 -0.125 0.000 0.907 359 D CB 2.260 43.011 40.800 -0.082 0.000 1.621 359 D HN 0.154 nan 8.370 nan 0.000 0.557 360 P HA -0.133 nan 4.420 nan 0.000 0.216 360 P C 0.775 177.982 177.300 -0.155 0.000 1.150 360 P CA 0.942 63.831 63.100 -0.351 0.000 0.843 360 P CB 0.424 31.837 31.700 -0.478 0.000 0.787 361 N N -0.758 117.852 118.700 -0.150 0.000 2.512 361 N HA 0.011 4.751 4.740 -0.000 0.000 0.183 361 N C 1.763 177.239 175.510 -0.057 0.000 1.073 361 N CA 0.728 53.727 53.050 -0.085 0.000 0.911 361 N CB -0.131 38.309 38.487 -0.079 0.000 0.964 361 N HN 0.336 nan 8.380 nan 0.000 0.447 362 I N -0.528 120.004 120.570 -0.062 0.000 3.136 362 I HA -0.046 4.124 4.170 -0.000 0.000 0.262 362 I C 1.781 177.876 176.117 -0.037 0.000 1.132 362 I CA 0.320 61.595 61.300 -0.042 0.000 1.450 362 I CB 0.084 38.059 38.000 -0.041 0.000 1.315 362 I HN -0.123 nan 8.210 nan 0.000 0.460 363 V N -0.990 118.886 119.914 -0.063 0.000 3.608 363 V HA 0.544 4.664 4.120 -0.000 0.000 0.269 363 V C 0.861 176.975 176.094 0.033 0.000 1.245 363 V CA 0.153 62.405 62.300 -0.079 0.000 1.138 363 V CB -1.042 30.551 31.823 -0.383 0.000 0.841 363 V HN 0.502 nan 8.190 nan 0.000 0.451 364 G N 1.010 109.829 108.800 0.032 0.000 2.692 364 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.686 364 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.686 364 G C 0.419 175.385 174.900 0.109 0.000 1.243 364 G CA 0.258 45.398 45.100 0.066 0.000 0.782 364 G HN 1.249 nan 8.290 nan 0.000 0.625 365 S N -0.116 115.638 115.700 0.090 0.000 2.399 365 S HA -0.105 4.365 4.470 -0.000 0.000 0.231 365 S C 1.808 176.514 174.600 0.178 0.000 1.022 365 S CA 1.881 60.156 58.200 0.126 0.000 0.983 365 S CB -0.125 63.122 63.200 0.077 0.000 0.803 365 S HN 0.995 nan 8.310 nan 0.000 0.480 366 E N 1.146 121.433 120.200 0.146 0.000 2.017 366 E HA -0.276 4.074 4.350 -0.000 0.000 0.193 366 E C 2.049 178.759 176.600 0.183 0.000 0.997 366 E CA 1.422 57.905 56.400 0.138 0.000 0.804 366 E CB -0.457 29.307 29.700 0.106 0.000 0.757 366 E HN 0.835 nan 8.360 nan 0.000 0.448 367 H N -1.542 117.585 119.070 0.095 0.000 2.289 367 H HA -0.246 4.310 4.556 -0.000 0.000 0.296 367 H C 2.125 177.507 175.328 0.090 0.000 1.091 367 H CA 1.953 58.052 56.048 0.086 0.000 1.274 367 H CB -0.199 29.614 29.762 0.085 0.000 1.364 367 H HN 0.313 nan 8.280 nan 0.000 0.490 368 Y N 1.482 121.896 120.300 0.190 0.000 2.145 368 Y HA -0.246 4.304 4.550 -0.000 0.000 0.286 368 Y C 2.067 178.016 175.900 0.081 0.000 1.145 368 Y CA 1.978 60.132 58.100 0.089 0.000 1.148 368 Y CB -0.329 38.146 38.460 0.025 0.000 0.981 368 Y HN 0.338 nan 8.280 nan 0.000 0.507 369 D N -0.586 119.895 120.400 0.136 0.000 2.117 369 D HA -0.175 4.465 4.640 -0.000 0.000 0.197 369 D C 2.419 178.709 176.300 -0.017 0.000 0.987 369 D CA 1.670 55.694 54.000 0.041 0.000 0.829 369 D CB -0.504 40.360 40.800 0.106 0.000 0.961 369 D HN 0.316 nan 8.370 nan 0.000 0.460 370 V N 1.481 121.412 119.914 0.028 0.000 2.343 370 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 370 V C 2.528 178.598 176.094 -0.041 0.000 1.051 370 V CA 1.807 64.119 62.300 0.020 0.000 1.036 370 V CB -0.829 31.025 31.823 0.052 0.000 0.654 370 V HN 0.180 nan 8.190 nan 0.000 0.451 371 A N 0.085 122.867 122.820 -0.064 0.000 1.858 371 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 371 A C 2.329 179.808 177.584 -0.175 0.000 1.190 371 A CA 1.638 53.603 52.037 -0.121 0.000 0.617 371 A CB -0.502 18.456 19.000 -0.069 0.000 0.827 371 A HN 0.391 nan 8.150 nan 0.000 0.443 372 R N -0.358 119.979 120.500 -0.273 0.000 2.105 372 R HA -0.109 4.231 4.340 -0.000 0.000 0.239 372 R C 2.311 178.537 176.300 -0.124 0.000 1.135 372 R CA 1.273 57.226 56.100 -0.245 0.000 0.967 372 R CB -1.748 28.339 30.300 -0.355 0.000 0.861 372 R HN 0.554 nan 8.270 nan 0.000 0.442 373 G N 0.295 109.041 108.800 -0.089 0.000 2.421 373 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.216 373 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.216 373 G C 1.589 176.474 174.900 -0.024 0.000 1.171 373 G CA 0.851 45.930 45.100 -0.036 0.000 0.775 373 G HN 0.194 nan 8.290 nan 0.000 0.543 374 V N 0.515 120.406 119.914 -0.039 0.000 2.343 374 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 374 V C 2.890 178.963 176.094 -0.036 0.000 1.051 374 V CA 2.240 64.519 62.300 -0.034 0.000 1.036 374 V CB -0.541 31.208 31.823 -0.124 0.000 0.654 374 V HN 0.437 nan 8.190 nan 0.000 0.451 375 Q N -0.557 119.206 119.800 -0.062 0.000 2.224 375 Q HA -0.197 4.143 4.340 -0.000 0.000 0.203 375 Q C 2.326 178.311 176.000 -0.025 0.000 0.970 375 Q CA 1.252 57.026 55.803 -0.048 0.000 0.865 375 Q CB -0.131 28.566 28.738 -0.069 0.000 0.922 375 Q HN 0.568 nan 8.270 nan 0.000 0.445 376 K N 1.070 121.454 120.400 -0.026 0.000 2.001 376 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 376 K C 1.998 178.606 176.600 0.012 0.000 1.048 376 K CA 0.921 57.202 56.287 -0.010 0.000 0.932 376 K CB -0.107 32.385 32.500 -0.013 0.000 0.715 376 K HN 0.148 nan 8.250 nan 0.000 0.437 377 I N 1.170 121.750 120.570 0.017 0.000 2.286 377 I HA -0.284 3.886 4.170 -0.000 0.000 0.248 377 I C 1.897 178.060 176.117 0.076 0.000 1.115 377 I CA 1.073 62.393 61.300 0.033 0.000 1.392 377 I CB 0.106 38.117 38.000 0.018 0.000 1.065 377 I HN 0.224 nan 8.210 nan 0.000 0.418 378 L N -0.170 121.098 121.223 0.075 0.000 2.109 378 L HA -0.209 4.131 4.340 -0.000 0.000 0.207 378 L C 2.525 179.450 176.870 0.093 0.000 1.086 378 L CA 1.014 55.927 54.840 0.122 0.000 0.760 378 L CB -0.533 41.572 42.059 0.077 0.000 0.910 378 L HN 0.297 nan 8.230 nan 0.000 0.437 379 Q N 0.278 120.103 119.800 0.041 0.000 2.083 379 Q HA -0.195 4.145 4.340 -0.000 0.000 0.198 379 Q C 1.710 177.726 176.000 0.028 0.000 0.969 379 Q CA 1.657 57.468 55.803 0.013 0.000 0.838 379 Q CB -0.074 28.661 28.738 -0.005 0.000 0.900 379 Q HN 0.337 nan 8.270 nan 0.000 0.436 380 D N -0.843 119.587 120.400 0.051 0.000 2.123 380 D HA -0.178 4.462 4.640 -0.000 0.000 0.196 380 D C 1.537 177.907 176.300 0.116 0.000 0.992 380 D CA 1.138 55.175 54.000 0.061 0.000 0.833 380 D CB -0.428 40.404 40.800 0.053 0.000 0.954 380 D HN 0.320 nan 8.370 nan 0.000 0.455 381 Y N 1.886 122.178 120.300 -0.013 0.000 2.128 381 Y HA -0.195 4.355 4.550 -0.000 0.000 0.284 381 Y C 2.221 178.113 175.900 -0.014 0.000 1.154 381 Y CA 1.574 59.667 58.100 -0.012 0.000 1.149 381 Y CB -0.440 38.013 38.460 -0.012 0.000 0.976 381 Y HN -0.153 nan 8.280 nan 0.000 0.505 382 K N -0.467 119.858 120.400 -0.125 0.000 2.103 382 K HA -0.145 4.175 4.320 -0.000 0.000 0.207 382 K C 2.114 178.639 176.600 -0.125 0.000 1.048 382 K CA 1.653 57.809 56.287 -0.217 0.000 0.930 382 K CB -0.229 32.190 32.500 -0.136 0.000 0.716 382 K HN 0.264 nan 8.250 nan 0.000 0.444 383 S N 0.649 116.318 115.700 -0.051 0.000 2.474 383 S HA -0.019 4.451 4.470 -0.000 0.000 0.235 383 S C 1.370 175.958 174.600 -0.020 0.000 0.997 383 S CA 0.687 58.869 58.200 -0.030 0.000 0.949 383 S CB -0.008 63.186 63.200 -0.009 0.000 0.766 383 S HN 0.266 nan 8.310 nan 0.000 0.517 384 L N 0.570 121.788 121.223 -0.008 0.000 2.592 384 L HA 0.198 4.538 4.340 -0.000 0.000 0.227 384 L C 2.146 179.007 176.870 -0.014 0.000 1.127 384 L CA 0.118 54.966 54.840 0.014 0.000 0.884 384 L CB -0.114 41.991 42.059 0.076 0.000 1.065 384 L HN 0.128 nan 8.230 nan 0.000 0.457 385 Q N 0.376 120.131 119.800 -0.074 0.000 2.167 385 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 385 Q C 1.669 177.636 176.000 -0.055 0.000 0.970 385 Q CA 1.469 57.211 55.803 -0.101 0.000 0.855 385 Q CB 0.023 28.660 28.738 -0.169 0.000 0.911 385 Q HN 0.370 nan 8.270 nan 0.000 0.438 386 D N -0.527 119.848 120.400 -0.042 0.000 2.097 386 D HA -0.145 4.495 4.640 -0.000 0.000 0.195 386 D C 1.772 178.063 176.300 -0.015 0.000 0.989 386 D CA 1.364 55.347 54.000 -0.028 0.000 0.827 386 D CB -0.066 40.720 40.800 -0.023 0.000 0.966 386 D HN 0.356 nan 8.370 nan 0.000 0.456 387 I N 0.592 121.158 120.570 -0.007 0.000 2.286 387 I HA -0.155 4.015 4.170 -0.000 0.000 0.245 387 I C 2.492 178.614 176.117 0.008 0.000 1.104 387 I CA 0.591 61.892 61.300 0.002 0.000 1.397 387 I CB -0.207 37.797 38.000 0.007 0.000 1.072 387 I HN -0.094 nan 8.210 nan 0.000 0.417 388 I N 1.295 121.873 120.570 0.014 0.000 2.286 388 I HA -0.279 3.891 4.170 -0.000 0.000 0.248 388 I C 2.858 178.983 176.117 0.013 0.000 1.115 388 I CA 1.259 62.575 61.300 0.026 0.000 1.392 388 I CB -0.465 37.569 38.000 0.055 0.000 1.065 388 I HN 0.216 nan 8.210 nan 0.000 0.418 389 A N 1.102 123.921 122.820 -0.002 0.000 1.908 389 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 389 A C 2.238 179.821 177.584 -0.002 0.000 1.181 389 A CA 1.549 53.582 52.037 -0.007 0.000 0.627 389 A CB -0.478 18.511 19.000 -0.018 0.000 0.818 389 A HN 0.308 nan 8.150 nan 0.000 0.445 390 I N -1.149 119.420 120.570 -0.001 0.000 2.296 390 I HA -0.023 4.147 4.170 -0.000 0.000 0.242 390 I C 2.149 178.268 176.117 0.004 0.000 1.087 390 I CA 1.194 62.494 61.300 0.000 0.000 1.393 390 I CB -0.969 37.031 38.000 -0.001 0.000 1.093 390 I HN 0.252 nan 8.210 nan 0.000 0.421 391 L N -0.502 120.725 121.223 0.006 0.000 2.638 391 L HA 0.347 4.687 4.340 -0.000 0.000 0.232 391 L C 0.902 177.779 176.870 0.012 0.000 1.099 391 L CA 0.235 55.080 54.840 0.008 0.000 0.883 391 L CB 0.230 42.294 42.059 0.008 0.000 1.136 391 L HN 0.406 nan 8.230 nan 0.000 0.492 392 G N -0.071 108.739 108.800 0.017 0.000 2.781 392 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.683 392 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.683 392 G C 0.202 175.118 174.900 0.028 0.000 1.390 392 G CA -0.118 44.995 45.100 0.022 0.000 0.850 392 G HN 0.019 nan 8.290 nan 0.000 0.557 393 M N -0.052 119.567 119.600 0.032 0.000 2.296 393 M HA -0.016 4.463 4.480 -0.000 0.000 0.265 393 M C 1.884 178.195 176.300 0.018 0.000 1.064 393 M CA 1.649 56.968 55.300 0.031 0.000 1.109 393 M CB -0.211 32.404 32.600 0.026 0.000 1.396 393 M HN 0.568 nan 8.290 nan 0.000 0.430 394 D N 0.410 120.818 120.400 0.014 0.000 2.218 394 D HA -0.118 4.522 4.640 -0.000 0.000 0.204 394 D C 1.665 177.971 176.300 0.009 0.000 0.976 394 D CA 0.996 55.002 54.000 0.010 0.000 0.853 394 D CB -0.058 40.747 40.800 0.008 0.000 0.939 394 D HN 0.341 nan 8.370 nan 0.000 0.481 395 E N 0.103 120.310 120.200 0.012 0.000 2.502 395 E HA 0.058 4.408 4.350 -0.000 0.000 0.194 395 E C 0.753 177.360 176.600 0.011 0.000 1.062 395 E CA -0.030 56.377 56.400 0.010 0.000 0.867 395 E CB 0.387 30.093 29.700 0.010 0.000 0.888 395 E HN 0.364 nan 8.360 nan 0.000 0.510 396 L N 1.160 122.391 121.223 0.014 0.000 2.421 396 L HA 0.127 4.467 4.340 -0.000 0.000 0.263 396 L C 1.000 177.876 176.870 0.009 0.000 1.122 396 L CA -0.569 54.280 54.840 0.014 0.000 0.804 396 L CB 0.825 42.896 42.059 0.020 0.000 1.150 396 L HN -0.081 nan 8.230 nan 0.000 0.457 397 S N -0.434 115.272 115.700 0.009 0.000 2.600 397 S HA 0.024 4.494 4.470 -0.000 0.000 0.265 397 S C 0.890 175.491 174.600 0.003 0.000 1.325 397 S CA -0.339 57.864 58.200 0.005 0.000 1.002 397 S CB 1.205 64.408 63.200 0.005 0.000 0.921 397 S HN 0.726 nan 8.310 nan 0.000 0.554 398 E N 0.883 121.084 120.200 0.001 0.000 2.086 398 E HA -0.302 4.048 4.350 -0.000 0.000 0.205 398 E C 1.906 178.505 176.600 -0.003 0.000 1.027 398 E CA 2.201 58.600 56.400 -0.001 0.000 0.830 398 E CB -0.389 29.311 29.700 -0.001 0.000 0.751 398 E HN 0.868 nan 8.360 nan 0.000 0.456 399 E N -0.451 119.748 120.200 -0.001 0.000 2.051 399 E HA -0.233 4.117 4.350 -0.000 0.000 0.192 399 E C 1.602 178.200 176.600 -0.003 0.000 0.991 399 E CA 1.597 57.996 56.400 -0.002 0.000 0.799 399 E CB -0.076 29.624 29.700 0.001 0.000 0.748 399 E HN 0.341 nan 8.360 nan 0.000 0.449 400 D N 0.283 120.684 120.400 0.003 0.000 2.144 400 D HA -0.119 4.521 4.640 -0.000 0.000 0.200 400 D C 1.736 178.034 176.300 -0.003 0.000 0.978 400 D CA 0.857 54.862 54.000 0.008 0.000 0.833 400 D CB -0.076 40.736 40.800 0.019 0.000 0.961 400 D HN 0.146 nan 8.370 nan 0.000 0.470 401 K N 0.044 120.439 120.400 -0.007 0.000 2.147 401 K HA -0.105 4.215 4.320 -0.000 0.000 0.205 401 K C 2.007 178.583 176.600 -0.039 0.000 1.049 401 K CA 0.280 56.555 56.287 -0.020 0.000 0.936 401 K CB -0.104 32.389 32.500 -0.012 0.000 0.722 401 K HN 0.080 nan 8.250 nan 0.000 0.446 402 L N 1.167 122.371 121.223 -0.031 0.000 2.056 402 L HA -0.164 4.176 4.340 -0.000 0.000 0.207 402 L C 2.478 179.314 176.870 -0.058 0.000 1.078 402 L CA 2.063 56.881 54.840 -0.037 0.000 0.749 402 L CB -0.815 41.231 42.059 -0.022 0.000 0.901 402 L HN 0.261 nan 8.230 nan 0.000 0.433 403 T N -4.170 110.355 114.554 -0.049 0.000 2.777 403 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 403 T C 1.885 176.506 174.700 -0.133 0.000 1.040 403 T CA 1.413 63.478 62.100 -0.058 0.000 1.141 403 T CB -1.088 67.771 68.868 -0.015 0.000 0.868 403 T HN 0.113 nan 8.240 nan 0.000 0.444 404 V N 2.890 122.710 119.914 -0.156 0.000 2.287 404 V HA -0.203 3.917 4.120 -0.000 0.000 0.248 404 V C 3.277 179.128 176.094 -0.405 0.000 1.053 404 V CA 2.347 64.430 62.300 -0.361 0.000 1.027 404 V CB -1.137 30.576 31.823 -0.184 0.000 0.646 404 V HN 0.829 nan 8.190 nan 0.000 0.447 405 S N 0.155 115.724 115.700 -0.218 0.000 2.383 405 S HA -0.214 4.256 4.470 -0.000 0.000 0.227 405 S C 2.084 176.573 174.600 -0.184 0.000 1.026 405 S CA 1.369 59.465 58.200 -0.172 0.000 0.981 405 S CB -0.463 62.681 63.200 -0.094 0.000 0.818 405 S HN 0.562 nan 8.310 nan 0.000 0.472 406 R N 1.181 121.582 120.500 -0.164 0.000 2.092 406 R HA 0.164 4.504 4.340 -0.000 0.000 0.231 406 R C 2.771 178.965 176.300 -0.176 0.000 1.119 406 R CA 1.166 57.171 56.100 -0.159 0.000 0.970 406 R CB -0.703 29.538 30.300 -0.099 0.000 0.864 406 R HN 0.582 nan 8.270 nan 0.000 0.440 407 A N 1.081 123.777 122.820 -0.206 0.000 1.933 407 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 407 A C 2.033 179.501 177.584 -0.193 0.000 1.175 407 A CA 1.156 53.084 52.037 -0.181 0.000 0.628 407 A CB -0.302 18.558 19.000 -0.233 0.000 0.814 407 A HN 0.203 nan 8.150 nan 0.000 0.444 408 R N -0.375 119.932 120.500 -0.322 0.000 2.115 408 R HA -0.071 4.269 4.340 -0.000 0.000 0.230 408 R C 2.101 178.336 176.300 -0.109 0.000 1.111 408 R CA 1.535 57.523 56.100 -0.186 0.000 0.976 408 R CB -0.183 29.993 30.300 -0.206 0.000 0.870 408 R HN 0.505 nan 8.270 nan 0.000 0.445 409 K N 0.334 120.606 120.400 -0.213 0.000 2.062 409 K HA -0.048 4.272 4.320 -0.000 0.000 0.205 409 K C 2.002 178.419 176.600 -0.305 0.000 1.051 409 K CA 1.071 57.112 56.287 -0.412 0.000 0.941 409 K CB -0.036 31.980 32.500 -0.807 0.000 0.719 409 K HN 0.094 nan 8.250 nan 0.000 0.440 410 I N 1.445 121.934 120.570 -0.136 0.000 2.179 410 I HA -0.332 3.838 4.170 -0.000 0.000 0.242 410 I C 2.524 178.795 176.117 0.256 0.000 1.088 410 I CA 1.382 62.771 61.300 0.148 0.000 1.357 410 I CB -0.205 37.912 38.000 0.194 0.000 1.051 410 I HN 0.234 nan 8.210 nan 0.000 0.409 411 Q N 0.231 120.119 119.800 0.148 0.000 2.096 411 Q HA -0.293 4.047 4.340 -0.000 0.000 0.208 411 Q C 2.401 178.511 176.000 0.184 0.000 0.993 411 Q CA 1.960 57.857 55.803 0.157 0.000 0.862 411 Q CB -0.152 28.669 28.738 0.139 0.000 0.915 411 Q HN 0.425 nan 8.270 nan 0.000 0.416 412 R N -0.781 119.832 120.500 0.188 0.000 2.092 412 R HA -0.104 4.236 4.340 -0.000 0.000 0.231 412 R C 1.938 178.420 176.300 0.304 0.000 1.119 412 R CA 1.043 57.310 56.100 0.278 0.000 0.970 412 R CB -0.214 30.267 30.300 0.302 0.000 0.864 412 R HN 0.182 nan 8.270 nan 0.000 0.440 413 F N 0.821 120.831 119.950 0.100 0.000 2.502 413 F HA 0.009 4.536 4.527 -0.000 0.000 0.298 413 F C 1.431 177.342 175.800 0.184 0.000 1.111 413 F CA 0.878 58.893 58.000 0.024 0.000 1.445 413 F CB 0.081 38.903 39.000 -0.298 0.000 1.081 413 F HN -0.057 nan 8.300 nan 0.000 0.558 414 L N -0.466 120.930 121.223 0.289 0.000 2.395 414 L HA -0.038 4.302 4.340 -0.000 0.000 0.218 414 L C 1.474 178.364 176.870 0.034 0.000 1.130 414 L CA 0.400 55.364 54.840 0.208 0.000 0.826 414 L CB -0.747 41.413 42.059 0.169 0.000 0.941 414 L HN 0.125 nan 8.230 nan 0.000 0.451 415 S N -0.427 115.280 115.700 0.012 0.000 2.614 415 S HA 0.350 4.820 4.470 -0.000 0.000 0.265 415 S C -0.336 174.162 174.600 -0.170 0.000 1.303 415 S CA -0.476 57.677 58.200 -0.078 0.000 1.000 415 S CB 1.920 65.081 63.200 -0.066 0.000 0.935 415 S HN 0.270 nan 8.310 nan 0.000 0.551 416 Q N 0.379 120.042 119.800 -0.228 0.000 2.403 416 Q HA 0.390 4.730 4.340 -0.000 0.000 0.267 416 Q C -3.125 172.739 176.000 -0.228 0.000 0.991 416 Q CA -1.876 53.812 55.803 -0.191 0.000 0.906 416 Q CB 2.280 30.992 28.738 -0.045 0.000 1.422 416 Q HN 0.538 nan 8.270 nan 0.000 0.400 417 P HA 0.156 nan 4.420 nan 0.000 0.282 417 P C -1.021 176.395 177.300 0.194 0.000 1.274 417 P CA 0.387 63.468 63.100 -0.031 0.000 0.770 417 P CB 0.082 31.777 31.700 -0.008 0.000 0.867 418 F N 1.801 121.761 119.950 0.017 0.000 2.394 418 F HA 0.174 4.701 4.527 -0.000 0.000 0.340 418 F C 2.165 177.981 175.800 0.027 0.000 1.105 418 F CA -0.752 57.261 58.000 0.023 0.000 1.124 418 F CB 1.347 40.367 39.000 0.034 0.000 1.145 418 F HN 0.339 nan 8.300 nan 0.000 0.505 419 Q N 1.319 121.227 119.800 0.181 0.000 2.248 419 Q HA -0.149 4.190 4.340 -0.000 0.000 0.208 419 Q C 1.872 177.927 176.000 0.091 0.000 0.984 419 Q CA 1.105 56.964 55.803 0.092 0.000 0.875 419 Q CB -0.008 28.750 28.738 0.033 0.000 0.910 419 Q HN 0.561 nan 8.270 nan 0.000 0.433 420 V N -0.415 119.574 119.914 0.125 0.000 3.129 420 V HA -0.017 4.103 4.120 -0.000 0.000 0.259 420 V C 1.239 177.441 176.094 0.180 0.000 1.116 420 V CA 1.297 63.668 62.300 0.119 0.000 1.127 420 V CB 0.298 32.177 31.823 0.093 0.000 0.742 420 V HN 0.281 nan 8.190 nan 0.000 0.474 421 A N -1.191 121.765 122.820 0.226 0.000 2.535 421 A HA 0.251 4.571 4.320 -0.000 0.000 0.273 421 A C 1.549 179.234 177.584 0.167 0.000 1.267 421 A CA -0.176 52.032 52.037 0.284 0.000 0.940 421 A CB -0.149 18.987 19.000 0.227 0.000 1.101 421 A HN 0.481 nan 8.150 nan 0.000 0.521 422 E N -0.306 119.936 120.200 0.070 0.000 2.118 422 E HA -0.164 4.186 4.350 -0.000 0.000 0.195 422 E C 1.652 178.198 176.600 -0.090 0.000 0.992 422 E CA 1.417 57.823 56.400 0.010 0.000 0.804 422 E CB -0.140 29.560 29.700 -0.001 0.000 0.741 422 E HN 0.425 nan 8.360 nan 0.000 0.458 423 V N 0.453 120.221 119.914 -0.243 0.000 2.407 423 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 423 V C 1.757 177.579 176.094 -0.452 0.000 1.055 423 V CA 1.761 63.793 62.300 -0.447 0.000 1.049 423 V CB -0.449 30.936 31.823 -0.730 0.000 0.662 423 V HN 0.239 nan 8.190 nan 0.000 0.455 424 F N 0.322 120.254 119.950 -0.030 0.000 2.473 424 F HA -0.029 4.498 4.527 -0.000 0.000 0.294 424 F C 2.520 178.310 175.800 -0.017 0.000 1.103 424 F CA 1.165 59.140 58.000 -0.042 0.000 1.442 424 F CB -0.693 38.247 39.000 -0.099 0.000 1.097 424 F HN 0.262 nan 8.300 nan 0.000 0.547 425 T N -3.747 110.893 114.554 0.143 0.000 3.039 425 T HA 0.333 4.683 4.350 -0.000 0.000 0.250 425 T C 1.941 176.676 174.700 0.058 0.000 1.052 425 T CA 0.652 62.858 62.100 0.177 0.000 1.125 425 T CB -0.121 68.883 68.868 0.227 0.000 0.908 425 T HN 0.363 nan 8.240 nan 0.000 0.473 426 G N 1.355 110.121 108.800 -0.056 0.000 2.148 426 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.254 426 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.254 426 G C -0.199 174.496 174.900 -0.342 0.000 0.981 426 G CA 0.381 45.361 45.100 -0.201 0.000 0.670 426 G HN 0.831 nan 8.290 nan 0.000 0.528 427 H N -1.367 117.699 119.070 -0.006 0.000 2.495 427 H HA 0.610 5.166 4.556 -0.000 0.000 0.348 427 H C 0.250 175.576 175.328 -0.003 0.000 1.113 427 H CA -1.036 55.007 56.048 -0.010 0.000 1.195 427 H CB 1.630 31.377 29.762 -0.025 0.000 1.521 427 H HN 0.183 nan 8.280 nan 0.000 0.509 428 L N 2.214 123.502 121.223 0.108 0.000 2.525 428 L HA 0.143 4.483 4.340 -0.000 0.000 0.278 428 L C 1.043 177.963 176.870 0.084 0.000 1.218 428 L CA 0.605 55.486 54.840 0.070 0.000 0.878 428 L CB 0.263 42.350 42.059 0.046 0.000 1.127 428 L HN 0.895 nan 8.230 nan 0.000 0.492 429 G N 4.167 113.014 108.800 0.078 0.000 2.491 429 G HA2 0.241 4.201 3.960 -0.000 0.000 0.238 429 G HA3 0.241 4.201 3.960 -0.000 0.000 0.238 429 G C -0.515 174.428 174.900 0.072 0.000 1.277 429 G CA -0.484 44.674 45.100 0.096 0.000 0.851 429 G HN 0.512 nan 8.290 nan 0.000 0.573 430 K N 0.839 121.290 120.400 0.085 0.000 2.422 430 K HA 0.429 4.749 4.320 -0.000 0.000 0.251 430 K C -1.271 175.363 176.600 0.056 0.000 0.933 430 K CA -0.724 55.595 56.287 0.054 0.000 0.798 430 K CB 2.875 35.393 32.500 0.030 0.000 1.238 430 K HN 0.373 nan 8.250 nan 0.000 0.428 431 L N 2.388 123.630 121.223 0.031 0.000 2.349 431 L HA 0.418 4.758 4.340 -0.000 0.000 0.278 431 L C -1.152 175.729 176.870 0.018 0.000 0.996 431 L CA -0.897 53.955 54.840 0.020 0.000 0.825 431 L CB 1.659 43.722 42.059 0.008 0.000 1.243 431 L HN 0.243 nan 8.230 nan 0.000 0.412 432 V N 6.156 126.080 119.914 0.016 0.000 2.347 432 V HA 0.408 4.528 4.120 -0.000 0.000 0.280 432 V C -2.062 174.046 176.094 0.023 0.000 1.021 432 V CA -1.756 60.555 62.300 0.018 0.000 0.847 432 V CB 1.236 33.061 31.823 0.003 0.000 0.990 432 V HN 0.669 nan 8.190 nan 0.000 0.444 433 P HA 0.056 nan 4.420 nan 0.000 0.267 433 P C 0.776 178.096 177.300 0.034 0.000 1.200 433 P CA -0.241 62.877 63.100 0.031 0.000 0.772 433 P CB 0.748 32.468 31.700 0.034 0.000 0.855 434 L N 3.708 124.949 121.223 0.031 0.000 2.012 434 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 434 L C 1.867 178.745 176.870 0.013 0.000 1.073 434 L CA 2.030 56.882 54.840 0.020 0.000 0.748 434 L CB -0.759 41.324 42.059 0.039 0.000 0.891 434 L HN 0.216 nan 8.230 nan 0.000 0.431 435 K N -0.067 120.352 120.400 0.031 0.000 2.147 435 K HA -0.179 4.141 4.320 -0.000 0.000 0.205 435 K C 2.004 178.638 176.600 0.056 0.000 1.049 435 K CA 1.759 58.069 56.287 0.037 0.000 0.936 435 K CB -0.214 32.312 32.500 0.043 0.000 0.722 435 K HN 0.598 nan 8.250 nan 0.000 0.446 436 E N -0.082 120.158 120.200 0.066 0.000 2.107 436 E HA -0.090 4.260 4.350 -0.000 0.000 0.191 436 E C 1.938 178.627 176.600 0.148 0.000 0.982 436 E CA 1.100 57.557 56.400 0.095 0.000 0.809 436 E CB -0.043 29.707 29.700 0.083 0.000 0.756 436 E HN 0.232 nan 8.360 nan 0.000 0.459 437 T N 1.961 116.595 114.554 0.134 0.000 2.652 437 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 437 T C 1.910 176.794 174.700 0.306 0.000 1.039 437 T CA 0.943 63.175 62.100 0.220 0.000 1.153 437 T CB -0.113 68.825 68.868 0.116 0.000 0.863 437 T HN 0.060 nan 8.240 nan 0.000 0.428 438 I N 1.424 122.064 120.570 0.117 0.000 2.127 438 I HA -0.162 4.008 4.170 -0.000 0.000 0.241 438 I C 2.450 178.663 176.117 0.160 0.000 1.075 438 I CA 1.568 62.917 61.300 0.081 0.000 1.334 438 I CB -1.166 36.813 38.000 -0.034 0.000 1.040 438 I HN 0.286 nan 8.210 nan 0.000 0.405 439 K N 0.854 121.334 120.400 0.133 0.000 2.009 439 K HA -0.183 4.137 4.320 -0.000 0.000 0.210 439 K C 2.201 178.886 176.600 0.142 0.000 1.049 439 K CA 1.903 58.262 56.287 0.121 0.000 0.929 439 K CB -0.514 32.044 32.500 0.097 0.000 0.714 439 K HN 0.372 nan 8.250 nan 0.000 0.440 440 G N 0.179 109.079 108.800 0.168 0.000 2.446 440 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 440 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 440 G C 1.293 176.162 174.900 -0.052 0.000 1.168 440 G CA 0.923 46.048 45.100 0.042 0.000 0.771 440 G HN 0.300 nan 8.290 nan 0.000 0.551 441 F N 0.352 120.428 119.950 0.210 0.000 2.259 441 F HA 0.068 4.595 4.527 -0.000 0.000 0.298 441 F C 2.877 178.718 175.800 0.068 0.000 1.088 441 F CA 1.287 59.373 58.000 0.143 0.000 1.358 441 F CB -0.155 38.932 39.000 0.145 0.000 1.040 441 F HN 0.150 nan 8.300 nan 0.000 0.505 442 Q N 0.370 120.307 119.800 0.227 0.000 2.061 442 Q HA -0.270 4.070 4.340 -0.000 0.000 0.204 442 Q C 2.158 178.208 176.000 0.083 0.000 0.984 442 Q CA 1.984 57.864 55.803 0.130 0.000 0.846 442 Q CB -0.102 28.697 28.738 0.102 0.000 0.902 442 Q HN 0.479 nan 8.270 nan 0.000 0.421 443 Q N -0.060 119.790 119.800 0.083 0.000 2.050 443 Q HA -0.163 4.176 4.340 -0.000 0.000 0.202 443 Q C 2.163 178.181 176.000 0.029 0.000 0.980 443 Q CA 1.575 57.402 55.803 0.039 0.000 0.840 443 Q CB -0.140 28.672 28.738 0.123 0.000 0.898 443 Q HN 0.462 nan 8.270 nan 0.000 0.424 444 I N 0.683 121.306 120.570 0.088 0.000 2.163 444 I HA -0.318 3.852 4.170 -0.000 0.000 0.243 444 I C 2.221 178.336 176.117 -0.003 0.000 1.085 444 I CA 1.174 62.492 61.300 0.030 0.000 1.347 444 I CB -0.319 37.593 38.000 -0.147 0.000 1.044 444 I HN 0.207 nan 8.210 nan 0.000 0.408 445 L N 0.522 121.764 121.223 0.032 0.000 2.079 445 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 445 L C 2.664 179.536 176.870 0.003 0.000 1.081 445 L CA 1.304 56.159 54.840 0.026 0.000 0.752 445 L CB -0.596 41.495 42.059 0.054 0.000 0.896 445 L HN 0.270 nan 8.230 nan 0.000 0.433 446 A N -0.679 122.138 122.820 -0.004 0.000 2.168 446 A HA 0.149 4.469 4.320 -0.000 0.000 0.215 446 A C 1.775 179.335 177.584 -0.040 0.000 1.152 446 A CA 0.953 52.976 52.037 -0.022 0.000 0.716 446 A CB -0.505 18.476 19.000 -0.031 0.000 0.794 446 A HN 0.566 nan 8.150 nan 0.000 0.465 447 G N -0.886 107.889 108.800 -0.042 0.000 2.141 447 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.242 447 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.242 447 G C 0.470 175.332 174.900 -0.063 0.000 0.982 447 G CA 0.538 45.617 45.100 -0.036 0.000 0.662 447 G HN 0.575 nan 8.290 nan 0.000 0.527 448 E N -1.074 119.020 120.200 -0.176 0.000 2.333 448 E HA -0.038 4.312 4.350 -0.000 0.000 0.198 448 E C 0.899 177.239 176.600 -0.433 0.000 1.007 448 E CA 0.960 57.134 56.400 -0.376 0.000 0.845 448 E CB -0.058 29.263 29.700 -0.632 0.000 0.766 448 E HN 0.814 nan 8.360 nan 0.000 0.507 449 Y N -0.690 119.664 120.300 0.090 0.000 2.719 449 Y HA 0.118 4.668 4.550 -0.000 0.000 0.251 449 Y C 0.851 176.751 175.900 0.000 0.000 1.159 449 Y CA -0.678 57.439 58.100 0.027 0.000 1.166 449 Y CB 0.699 39.243 38.460 0.140 0.000 1.219 449 Y HN -0.111 nan 8.280 nan 0.000 0.551 450 D N 0.241 120.747 120.400 0.177 0.000 2.265 450 D HA -0.189 4.451 4.640 -0.000 0.000 0.208 450 D C 1.963 178.350 176.300 0.146 0.000 0.977 450 D CA 1.556 55.630 54.000 0.123 0.000 0.871 450 D CB -0.077 40.778 40.800 0.092 0.000 0.925 450 D HN 0.621 nan 8.370 nan 0.000 0.485 451 H N -0.659 118.462 119.070 0.085 0.000 2.544 451 H HA 0.117 4.673 4.556 -0.000 0.000 0.269 451 H C 0.882 176.264 175.328 0.089 0.000 0.970 451 H CA -0.060 56.029 56.048 0.068 0.000 1.219 451 H CB -0.336 29.454 29.762 0.046 0.000 1.421 451 H HN 0.089 nan 8.280 nan 0.000 0.555 452 L N 3.785 124.839 121.223 -0.281 0.000 2.371 452 L HA 0.258 4.598 4.340 -0.000 0.000 0.272 452 L C -1.977 174.916 176.870 0.037 0.000 1.124 452 L CA -1.968 52.774 54.840 -0.164 0.000 0.816 452 L CB 0.870 42.780 42.059 -0.248 0.000 1.129 452 L HN 0.041 nan 8.230 nan 0.000 0.448 453 P HA 0.069 nan 4.420 nan 0.000 0.271 453 P C 0.034 177.418 177.300 0.141 0.000 1.218 453 P CA -0.270 62.860 63.100 0.049 0.000 0.780 453 P CB 0.844 32.547 31.700 0.005 0.000 0.901 454 E N 1.551 121.840 120.200 0.150 0.000 2.049 454 E HA -0.267 4.083 4.350 -0.000 0.000 0.198 454 E C 1.890 178.640 176.600 0.250 0.000 1.007 454 E CA 1.349 57.877 56.400 0.213 0.000 0.809 454 E CB -0.264 29.484 29.700 0.079 0.000 0.749 454 E HN 0.571 nan 8.360 nan 0.000 0.450 455 Q N 0.709 120.577 119.800 0.113 0.000 2.297 455 Q HA -0.115 4.225 4.340 -0.000 0.000 0.208 455 Q C 2.053 178.105 176.000 0.088 0.000 0.981 455 Q CA 1.438 57.297 55.803 0.093 0.000 0.876 455 Q CB -0.457 28.302 28.738 0.036 0.000 0.921 455 Q HN 0.260 nan 8.270 nan 0.000 0.446 456 A N 0.503 123.303 122.820 -0.033 0.000 2.070 456 A HA -0.048 4.272 4.320 -0.000 0.000 0.220 456 A C 1.426 178.809 177.584 -0.335 0.000 1.159 456 A CA 0.781 52.670 52.037 -0.247 0.000 0.656 456 A CB -0.657 18.065 19.000 -0.463 0.000 0.800 456 A HN 0.330 nan 8.150 nan 0.000 0.453 457 F N -2.613 117.334 119.950 -0.005 0.000 2.765 457 F HA 0.202 4.729 4.527 -0.000 0.000 0.302 457 F C 0.646 176.538 175.800 0.152 0.000 1.111 457 F CA -0.248 57.775 58.000 0.039 0.000 1.359 457 F CB -0.124 38.875 39.000 -0.002 0.000 1.097 457 F HN 0.282 nan 8.300 nan 0.000 0.577 458 Y N 1.247 121.619 120.300 0.120 0.000 2.316 458 Y HA 0.344 4.894 4.550 -0.000 0.000 0.331 458 Y C 0.677 176.548 175.900 -0.048 0.000 1.083 458 Y CA -1.681 56.453 58.100 0.056 0.000 1.206 458 Y CB 0.382 38.868 38.460 0.044 0.000 1.195 458 Y HN 0.044 nan 8.280 nan 0.000 0.497 459 M N 5.765 124.949 119.600 -0.693 0.000 2.253 459 M HA -0.163 4.317 4.480 -0.000 0.000 0.195 459 M C -1.165 174.870 176.300 -0.443 0.000 0.512 459 M CA 0.998 55.859 55.300 -0.732 0.000 0.442 459 M CB -2.572 29.339 32.600 -1.148 0.000 1.189 459 M HN 0.446 nan 8.290 nan 0.000 0.923 460 V N -3.320 116.461 119.914 -0.222 0.000 3.155 460 V HA 1.079 5.199 4.120 -0.000 0.000 0.313 460 V C 0.804 176.846 176.094 -0.085 0.000 1.162 460 V CA -0.090 62.144 62.300 -0.109 0.000 1.048 460 V CB 1.606 33.421 31.823 -0.013 0.000 1.092 460 V HN 0.384 nan 8.190 nan 0.000 0.447 461 G N 0.261 109.042 108.800 -0.032 0.000 2.722 461 G HA2 0.411 4.371 3.960 -0.000 0.000 0.201 461 G HA3 0.411 4.371 3.960 -0.000 0.000 0.201 461 G C -2.082 172.832 174.900 0.022 0.000 1.926 461 G CA -0.086 44.997 45.100 -0.028 0.000 0.872 461 G HN 0.779 nan 8.290 nan 0.000 0.581 462 P HA 0.151 nan 4.420 nan 0.000 0.274 462 P C 0.652 178.096 177.300 0.239 0.000 1.256 462 P CA -0.537 62.664 63.100 0.168 0.000 0.795 462 P CB 1.508 33.260 31.700 0.087 0.000 1.038 463 I N 0.795 121.483 120.570 0.197 0.000 2.361 463 I HA -0.246 3.924 4.170 -0.000 0.000 0.251 463 I C 1.890 177.881 176.117 -0.209 0.000 1.133 463 I CA 1.730 62.930 61.300 -0.168 0.000 1.413 463 I CB -0.751 37.067 38.000 -0.303 0.000 1.073 463 I HN 0.262 nan 8.210 nan 0.000 0.424 464 E N 0.484 120.635 120.200 -0.081 0.000 2.118 464 E HA -0.240 4.110 4.350 -0.000 0.000 0.195 464 E C 2.093 178.631 176.600 -0.103 0.000 0.992 464 E CA 1.436 57.788 56.400 -0.079 0.000 0.804 464 E CB -0.251 29.436 29.700 -0.021 0.000 0.741 464 E HN 0.573 nan 8.360 nan 0.000 0.458 465 E N -0.207 119.949 120.200 -0.074 0.000 2.204 465 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 465 E C 1.923 178.433 176.600 -0.152 0.000 0.989 465 E CA 0.749 57.103 56.400 -0.076 0.000 0.824 465 E CB -0.054 29.629 29.700 -0.028 0.000 0.756 465 E HN 0.284 nan 8.360 nan 0.000 0.477 466 A N 0.752 123.422 122.820 -0.249 0.000 1.897 466 A HA -0.096 4.224 4.320 -0.000 0.000 0.215 466 A C 2.441 179.705 177.584 -0.534 0.000 1.181 466 A CA 0.796 52.542 52.037 -0.485 0.000 0.620 466 A CB -0.426 18.097 19.000 -0.795 0.000 0.821 466 A HN 0.089 nan 8.150 nan 0.000 0.443 467 V N 0.026 119.673 119.914 -0.445 0.000 2.261 467 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 467 V C 3.071 179.053 176.094 -0.188 0.000 1.047 467 V CA 1.985 64.100 62.300 -0.308 0.000 1.015 467 V CB -1.304 30.408 31.823 -0.185 0.000 0.642 467 V HN 0.588 nan 8.190 nan 0.000 0.446 468 A N -0.410 122.325 122.820 -0.142 0.000 1.940 468 A HA -0.283 4.037 4.320 -0.000 0.000 0.219 468 A C 2.336 179.864 177.584 -0.094 0.000 1.176 468 A CA 2.269 54.253 52.037 -0.089 0.000 0.631 468 A CB -0.499 18.463 19.000 -0.063 0.000 0.814 468 A HN 0.542 nan 8.150 nan 0.000 0.446 469 K N -0.441 119.881 120.400 -0.130 0.000 2.057 469 K HA -0.039 4.281 4.320 -0.000 0.000 0.206 469 K C 2.142 178.667 176.600 -0.125 0.000 1.050 469 K CA 1.112 57.330 56.287 -0.115 0.000 0.935 469 K CB -0.299 32.119 32.500 -0.136 0.000 0.715 469 K HN 0.374 nan 8.250 nan 0.000 0.439 470 A N 1.362 124.069 122.820 -0.188 0.000 1.930 470 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 470 A C 1.566 179.097 177.584 -0.089 0.000 1.175 470 A CA 1.868 53.806 52.037 -0.164 0.000 0.627 470 A CB -0.463 18.392 19.000 -0.242 0.000 0.815 470 A HN 0.350 nan 8.150 nan 0.000 0.443 471 D N -0.058 120.297 120.400 -0.076 0.000 2.144 471 D HA -0.117 4.523 4.640 -0.000 0.000 0.199 471 D C 1.887 178.170 176.300 -0.028 0.000 0.984 471 D CA 1.262 55.239 54.000 -0.037 0.000 0.834 471 D CB -0.211 40.571 40.800 -0.030 0.000 0.955 471 D HN 0.498 nan 8.370 nan 0.000 0.465 472 K N 0.103 120.482 120.400 -0.034 0.000 2.057 472 K HA -0.029 4.291 4.320 -0.000 0.000 0.206 472 K C 2.304 178.894 176.600 -0.016 0.000 1.050 472 K CA 0.549 56.824 56.287 -0.021 0.000 0.935 472 K CB -0.054 32.434 32.500 -0.019 0.000 0.715 472 K HN 0.139 nan 8.250 nan 0.000 0.439 473 L N 0.354 121.564 121.223 -0.022 0.000 1.973 473 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 473 L C 1.209 178.074 176.870 -0.008 0.000 1.073 473 L CA 1.036 55.868 54.840 -0.014 0.000 0.746 473 L CB -0.305 41.742 42.059 -0.020 0.000 0.891 473 L HN 0.139 nan 8.230 nan 0.000 0.433 474 A N 0.000 122.814 122.820 -0.009 0.000 2.254 474 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 474 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 474 A CB 0.000 19.002 19.000 0.004 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486