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 1h8h_1_E 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 0.000 174.887 174.700 0.312 0.000 1.109 9 T CA 0.000 62.194 62.100 0.157 0.000 1.349 9 T CB 0.000 68.963 68.868 0.158 0.000 0.612 10 T N 2.597 117.293 114.554 0.237 0.000 2.756 10 T HA 0.710 5.060 4.350 0.000 0.000 0.290 10 T C 0.837 175.481 174.700 -0.093 0.000 0.985 10 T CA -0.346 61.831 62.100 0.129 0.000 0.955 10 T CB 1.234 70.121 68.868 0.032 0.000 0.930 10 T HN 1.040 nan 8.240 nan 0.000 0.451 11 G N 2.556 110.998 108.800 -0.597 0.000 2.613 11 G HA2 0.746 4.706 3.960 0.000 0.000 0.303 11 G HA3 0.746 4.706 3.960 0.000 0.000 0.303 11 G C -0.768 173.768 174.900 -0.606 0.000 1.312 11 G CA -1.002 43.318 45.100 -1.300 0.000 1.036 11 G HN 0.624 nan 8.290 nan 0.000 0.513 12 R N -1.042 119.164 120.500 -0.490 0.000 2.750 12 R HA 0.423 4.763 4.340 0.000 0.000 0.281 12 R C -0.649 175.526 176.300 -0.209 0.000 0.972 12 R CA -0.867 55.077 56.100 -0.259 0.000 0.912 12 R CB 2.444 32.638 30.300 -0.177 0.000 1.187 12 R HN 0.334 nan 8.270 nan 0.000 0.464 13 I N 2.824 123.315 120.570 -0.131 0.000 2.517 13 I HA -0.039 4.131 4.170 0.000 0.000 0.285 13 I C 1.302 177.377 176.117 -0.070 0.000 1.106 13 I CA 0.063 61.311 61.300 -0.086 0.000 1.402 13 I CB 1.069 39.036 38.000 -0.055 0.000 1.399 13 I HN 0.565 nan 8.210 nan 0.000 0.535 14 V N 3.069 122.948 119.914 -0.058 0.000 3.528 14 V HA 0.619 4.739 4.120 0.000 0.000 0.294 14 V C 0.453 176.530 176.094 -0.029 0.000 1.404 14 V CA 0.089 62.362 62.300 -0.044 0.000 1.065 14 V CB 0.058 31.855 31.823 -0.044 0.000 0.904 14 V HN 0.736 nan 8.190 nan 0.000 0.435 15 A N -0.257 122.549 122.820 -0.024 0.000 2.547 15 A HA 0.744 5.064 4.320 0.000 0.000 0.298 15 A C -1.310 176.268 177.584 -0.011 0.000 1.062 15 A CA -0.312 51.716 52.037 -0.015 0.000 0.748 15 A CB 1.830 20.824 19.000 -0.010 0.000 1.288 15 A HN 0.501 nan 8.150 nan 0.000 0.396 16 V N 3.274 123.183 119.914 -0.009 0.000 2.482 16 V HA 0.504 4.624 4.120 0.000 0.000 0.295 16 V C -0.697 175.395 176.094 -0.003 0.000 1.026 16 V CA -0.078 62.218 62.300 -0.005 0.000 0.856 16 V CB 1.353 33.172 31.823 -0.006 0.000 1.001 16 V HN 0.716 nan 8.190 nan 0.000 0.424 17 I N 4.792 125.361 120.570 -0.001 0.000 2.495 17 I HA 0.611 4.781 4.170 0.000 0.000 0.277 17 I C 1.062 177.179 176.117 0.000 0.000 1.045 17 I CA 0.031 61.330 61.300 -0.001 0.000 1.135 17 I CB 1.266 39.266 38.000 -0.001 0.000 1.241 17 I HN 0.837 nan 8.210 nan 0.000 0.469 18 G N 4.765 113.565 108.800 0.000 0.000 2.611 18 G HA2 -0.352 3.608 3.960 0.000 0.000 0.301 18 G HA3 -0.352 3.608 3.960 0.000 0.000 0.301 18 G C 0.744 175.645 174.900 0.003 0.000 1.233 18 G CA 0.369 45.469 45.100 0.001 0.000 0.993 18 G HN 0.854 nan 8.290 nan 0.000 0.553 19 A N -0.564 122.258 122.820 0.004 0.000 2.359 19 A HA 0.603 4.923 4.320 0.000 0.000 0.240 19 A C 0.491 178.079 177.584 0.008 0.000 1.306 19 A CA 1.179 53.220 52.037 0.006 0.000 0.898 19 A CB -0.147 18.857 19.000 0.006 0.000 0.956 19 A HN 1.424 nan 8.150 nan 0.000 0.497 20 V N 0.258 120.176 119.914 0.007 0.000 2.540 20 V HA 0.468 4.588 4.120 0.000 0.000 0.302 20 V C -0.695 175.404 176.094 0.008 0.000 1.035 20 V CA -0.491 61.814 62.300 0.009 0.000 0.873 20 V CB 1.849 33.676 31.823 0.007 0.000 0.992 20 V HN 0.074 nan 8.190 nan 0.000 0.428 21 V N 3.227 123.149 119.914 0.013 0.000 2.577 21 V HA 0.502 4.622 4.120 0.000 0.000 0.303 21 V C -1.111 174.991 176.094 0.013 0.000 1.042 21 V CA -0.770 61.536 62.300 0.010 0.000 0.872 21 V CB 2.191 34.022 31.823 0.012 0.000 0.998 21 V HN 0.809 nan 8.190 nan 0.000 0.423 22 D N 3.215 123.617 120.400 0.003 0.000 2.280 22 D HA 0.576 5.216 4.640 0.000 0.000 0.236 22 D C -0.518 175.775 176.300 -0.011 0.000 1.082 22 D CA 0.007 54.009 54.000 0.003 0.000 0.834 22 D CB 2.093 42.892 40.800 -0.002 0.000 1.100 22 D HN 0.273 nan 8.370 nan 0.000 0.486 23 V N 2.551 122.467 119.914 0.003 0.000 2.540 23 V HA 0.335 4.455 4.120 0.000 0.000 0.302 23 V C -0.030 176.032 176.094 -0.053 0.000 1.035 23 V CA -0.903 61.369 62.300 -0.046 0.000 0.873 23 V CB 1.939 33.761 31.823 -0.002 0.000 0.992 23 V HN 0.384 nan 8.190 nan 0.000 0.428 24 Q N 2.709 122.408 119.800 -0.168 0.000 2.271 24 Q HA 0.586 4.926 4.340 0.000 0.000 0.258 24 Q C -1.860 173.960 176.000 -0.300 0.000 0.936 24 Q CA -0.477 55.251 55.803 -0.125 0.000 0.909 24 Q CB 1.337 30.019 28.738 -0.094 0.000 1.253 24 Q HN 0.656 nan 8.270 nan 0.000 0.440 25 F N 2.867 122.785 119.950 -0.053 0.000 2.427 25 F HA 0.202 4.730 4.527 0.000 0.000 0.348 25 F C 0.606 176.385 175.800 -0.035 0.000 1.125 25 F CA -0.627 57.347 58.000 -0.044 0.000 0.989 25 F CB 1.591 40.559 39.000 -0.054 0.000 1.165 25 F HN 0.658 nan 8.300 nan 0.000 0.442 26 D N 1.903 122.354 120.400 0.084 0.000 2.117 26 D HA -0.080 4.560 4.640 0.000 0.000 0.198 26 D C 1.328 177.670 176.300 0.069 0.000 0.982 26 D CA 1.552 55.583 54.000 0.052 0.000 0.828 26 D CB 0.393 41.202 40.800 0.015 0.000 0.967 26 D HN 0.648 nan 8.370 nan 0.000 0.464 27 E N -0.505 119.753 120.200 0.097 0.000 2.933 27 E HA 0.334 4.684 4.350 0.000 0.000 0.301 27 E C 0.860 177.502 176.600 0.070 0.000 0.836 27 E CA -0.062 56.380 56.400 0.069 0.000 1.213 27 E CB -0.245 29.487 29.700 0.053 0.000 2.349 27 E HN 0.015 nan 8.360 nan 0.000 0.558 28 G N 1.520 110.355 108.800 0.058 0.000 2.367 28 G HA2 0.309 4.269 3.960 0.000 0.000 0.280 28 G HA3 0.309 4.269 3.960 0.000 0.000 0.280 28 G C -0.750 174.101 174.900 -0.082 0.000 1.175 28 G CA -0.129 44.969 45.100 -0.003 0.000 1.001 28 G HN -0.031 nan 8.290 nan 0.000 0.437 29 L N 5.584 126.758 121.223 -0.082 0.000 2.331 29 L HA 0.386 4.726 4.340 0.000 0.000 0.278 29 L C -1.665 175.071 176.870 -0.222 0.000 1.106 29 L CA -1.765 52.965 54.840 -0.184 0.000 0.824 29 L CB 1.319 43.324 42.059 -0.090 0.000 1.142 29 L HN 0.331 nan 8.230 nan 0.000 0.443 30 P HA 0.276 nan 4.420 nan 0.000 0.282 30 P C -2.669 174.627 177.300 -0.007 0.000 1.262 30 P CA -1.533 61.405 63.100 -0.270 0.000 0.773 30 P CB 0.257 31.700 31.700 -0.428 0.000 0.879 31 P HA 0.088 nan 4.420 nan 0.000 0.270 31 P C 0.451 177.805 177.300 0.091 0.000 1.227 31 P CA 0.015 63.172 63.100 0.095 0.000 0.788 31 P CB 0.563 32.257 31.700 -0.010 0.000 0.926 32 I N 1.469 122.054 120.570 0.025 0.000 2.692 32 I HA -0.059 4.111 4.170 0.000 0.000 0.284 32 I C 1.501 177.579 176.117 -0.065 0.000 1.159 32 I CA 0.450 61.749 61.300 -0.002 0.000 1.423 32 I CB -0.268 37.698 38.000 -0.057 0.000 1.380 32 I HN 0.389 nan 8.210 nan 0.000 0.580 33 L N 2.131 123.301 121.223 -0.089 0.000 4.586 33 L HA -0.229 4.111 4.340 0.000 0.000 0.401 33 L C -0.097 176.742 176.870 -0.051 0.000 0.854 33 L CA 0.023 54.750 54.840 -0.189 0.000 1.918 33 L CB -1.608 40.235 42.059 -0.360 0.000 1.631 33 L HN 0.700 nan 8.230 nan 0.000 0.579 34 N N 0.805 119.497 118.700 -0.012 0.000 2.530 34 N HA 0.599 5.339 4.740 0.000 0.000 0.277 34 N C 0.196 175.725 175.510 0.031 0.000 1.168 34 N CA 0.695 53.751 53.050 0.010 0.000 0.979 34 N CB 1.240 39.711 38.487 -0.026 0.000 1.141 34 N HN 0.275 nan 8.380 nan 0.000 0.459 35 A N 2.113 124.958 122.820 0.042 0.000 2.309 35 A HA 0.630 4.950 4.320 0.000 0.000 0.298 35 A C -0.551 177.058 177.584 0.043 0.000 1.165 35 A CA -0.467 51.601 52.037 0.052 0.000 0.821 35 A CB 0.156 19.192 19.000 0.059 0.000 1.102 35 A HN 0.610 nan 8.150 nan 0.000 0.500 36 L N 1.759 123.019 121.223 0.061 0.000 2.354 36 L HA 0.509 4.849 4.340 0.000 0.000 0.269 36 L C -0.470 176.443 176.870 0.072 0.000 1.005 36 L CA -0.788 54.103 54.840 0.086 0.000 0.819 36 L CB 1.978 44.118 42.059 0.136 0.000 1.311 36 L HN 0.619 nan 8.230 nan 0.000 0.423 37 E N 2.653 122.895 120.200 0.070 0.000 2.114 37 E HA 0.282 4.632 4.350 0.000 0.000 0.266 37 E C -0.795 175.832 176.600 0.046 0.000 0.896 37 E CA -0.588 55.841 56.400 0.050 0.000 0.750 37 E CB 2.493 32.216 29.700 0.039 0.000 1.121 37 E HN 0.187 nan 8.360 nan 0.000 0.413 38 V N 4.184 124.119 119.914 0.035 0.000 2.521 38 V HA -0.029 4.091 4.120 0.000 0.000 0.286 38 V C 0.549 176.650 176.094 0.013 0.000 1.034 38 V CA -0.177 62.135 62.300 0.021 0.000 1.045 38 V CB 0.716 32.548 31.823 0.015 0.000 0.974 38 V HN 0.464 nan 8.190 nan 0.000 0.480 39 Q N 2.896 122.700 119.800 0.005 0.000 2.259 39 Q HA 0.494 4.834 4.340 0.000 0.000 0.249 39 Q C 0.922 176.921 176.000 -0.002 0.000 0.914 39 Q CA 0.461 56.266 55.803 0.002 0.000 0.904 39 Q CB 1.442 30.180 28.738 -0.001 0.000 1.213 39 Q HN 1.133 nan 8.270 nan 0.000 0.428 40 G N 2.331 111.131 108.800 -0.000 0.000 2.270 40 G HA2 -0.206 3.754 3.960 0.000 0.000 0.224 40 G HA3 -0.206 3.754 3.960 0.000 0.000 0.224 40 G C -0.227 174.673 174.900 0.000 0.000 1.079 40 G CA -0.363 44.736 45.100 -0.002 0.000 0.807 40 G HN 0.428 nan 8.290 nan 0.000 0.492 41 R N -0.702 119.799 120.500 0.003 0.000 2.686 41 R HA 0.421 4.761 4.340 0.000 0.000 0.283 41 R C 0.799 177.102 176.300 0.006 0.000 0.978 41 R CA -0.981 55.122 56.100 0.005 0.000 0.897 41 R CB 1.212 31.515 30.300 0.006 0.000 1.192 41 R HN 0.069 nan 8.270 nan 0.000 0.457 42 E N 0.660 120.863 120.200 0.006 0.000 2.038 42 E HA -0.123 4.227 4.350 0.000 0.000 0.195 42 E C 0.919 177.524 176.600 0.009 0.000 1.000 42 E CA 1.774 58.178 56.400 0.007 0.000 0.803 42 E CB -0.235 29.469 29.700 0.007 0.000 0.750 42 E HN 0.710 nan 8.360 nan 0.000 0.448 43 T N -1.419 113.141 114.554 0.010 0.000 2.944 43 T HA 0.477 4.827 4.350 0.000 0.000 0.284 43 T C 0.251 174.959 174.700 0.014 0.000 1.010 43 T CA -0.937 61.171 62.100 0.012 0.000 1.025 43 T CB 2.070 70.946 68.868 0.013 0.000 1.079 43 T HN -0.086 nan 8.240 nan 0.000 0.516 44 R N 0.564 121.074 120.500 0.017 0.000 2.401 44 R HA 0.363 4.703 4.340 0.000 0.000 0.299 44 R C -0.986 175.327 176.300 0.021 0.000 1.064 44 R CA -0.585 55.527 56.100 0.020 0.000 1.000 44 R CB -0.076 30.237 30.300 0.023 0.000 0.973 44 R HN 0.532 nan 8.270 nan 0.000 0.438 45 L N 6.601 127.837 121.223 0.022 0.000 2.387 45 L HA 0.305 4.645 4.340 0.000 0.000 0.259 45 L C -1.218 175.670 176.870 0.031 0.000 1.050 45 L CA -0.494 54.360 54.840 0.024 0.000 0.922 45 L CB 1.394 43.465 42.059 0.019 0.000 1.280 45 L HN 0.344 nan 8.230 nan 0.000 0.449 46 V N 5.288 125.223 119.914 0.035 0.000 2.614 46 V HA 0.295 4.415 4.120 0.000 0.000 0.291 46 V C 0.346 176.467 176.094 0.046 0.000 1.049 46 V CA -0.231 62.094 62.300 0.043 0.000 1.038 46 V CB 1.331 33.181 31.823 0.045 0.000 0.980 46 V HN 0.522 nan 8.190 nan 0.000 0.481 47 L N 4.356 125.611 121.223 0.053 0.000 2.322 47 L HA 0.577 4.917 4.340 0.000 0.000 0.281 47 L C 0.032 176.938 176.870 0.061 0.000 1.014 47 L CA -0.371 54.502 54.840 0.054 0.000 0.815 47 L CB 1.768 43.862 42.059 0.057 0.000 1.247 47 L HN 0.618 nan 8.230 nan 0.000 0.421 48 E N 2.258 122.493 120.200 0.059 0.000 2.146 48 E HA 0.312 4.662 4.350 0.000 0.000 0.282 48 E C -0.923 175.704 176.600 0.044 0.000 0.989 48 E CA -0.767 55.670 56.400 0.062 0.000 0.799 48 E CB 1.716 31.466 29.700 0.083 0.000 1.088 48 E HN 0.331 nan 8.360 nan 0.000 0.397 49 V N 4.067 124.002 119.914 0.036 0.000 2.599 49 V HA 0.029 4.149 4.120 0.000 0.000 0.300 49 V C 0.927 177.036 176.094 0.026 0.000 1.034 49 V CA 1.069 63.391 62.300 0.036 0.000 1.115 49 V CB 0.904 32.747 31.823 0.034 0.000 0.934 49 V HN 0.896 nan 8.190 nan 0.000 0.485 50 A N 4.115 126.957 122.820 0.037 0.000 2.074 50 A HA 0.372 4.692 4.320 0.000 0.000 0.200 50 A C 0.619 178.228 177.584 0.042 0.000 1.335 50 A CA 0.159 52.209 52.037 0.022 0.000 0.922 50 A CB 0.426 19.436 19.000 0.016 0.000 0.972 50 A HN 0.787 nan 8.150 nan 0.000 0.475 51 Q N -0.981 118.869 119.800 0.083 0.000 2.472 51 Q HA 0.339 4.679 4.340 0.000 0.000 0.281 51 Q C -1.672 174.449 176.000 0.202 0.000 0.997 51 Q CA -0.595 55.276 55.803 0.114 0.000 0.828 51 Q CB 1.596 30.372 28.738 0.063 0.000 1.443 51 Q HN 0.563 nan 8.270 nan 0.000 0.390 52 H N 2.219 121.287 119.070 -0.003 0.000 2.641 52 H HA 0.235 4.791 4.556 0.000 0.000 0.295 52 H C 0.615 175.948 175.328 0.008 0.000 1.070 52 H CA -0.189 55.862 56.048 0.005 0.000 1.257 52 H CB 0.955 30.716 29.762 -0.002 0.000 1.393 52 H HN 0.482 nan 8.280 nan 0.000 0.464 53 L N 2.679 123.946 121.223 0.073 0.000 2.217 53 L HA 0.052 4.392 4.340 0.000 0.000 0.211 53 L C 1.218 178.113 176.870 0.043 0.000 1.107 53 L CA 0.837 55.704 54.840 0.046 0.000 0.783 53 L CB -0.086 41.986 42.059 0.022 0.000 0.919 53 L HN 0.847 nan 8.230 nan 0.000 0.442 54 G N -0.269 108.556 108.800 0.043 0.000 2.570 54 G HA2 -0.125 3.835 3.960 0.000 0.000 0.686 54 G HA3 -0.125 3.835 3.960 0.000 0.000 0.686 54 G C -0.078 174.834 174.900 0.019 0.000 1.257 54 G CA -0.406 44.716 45.100 0.037 0.000 0.846 54 G HN 0.284 nan 8.290 nan 0.000 0.627 55 E N -0.835 119.376 120.200 0.018 0.000 2.553 55 E HA -0.228 4.122 4.350 0.000 0.000 0.264 55 E C 1.022 177.628 176.600 0.009 0.000 1.068 55 E CA 1.028 57.435 56.400 0.011 0.000 0.774 55 E CB -1.720 27.984 29.700 0.007 0.000 1.349 55 E HN 2.091 nan 8.360 nan 0.000 0.404 56 S N -2.367 113.340 115.700 0.012 0.000 3.445 56 S HA -0.222 4.248 4.470 0.000 0.000 0.319 56 S C 0.184 174.795 174.600 0.017 0.000 1.209 56 S CA 1.567 59.778 58.200 0.018 0.000 0.934 56 S CB -1.235 61.984 63.200 0.031 0.000 0.999 56 S HN 0.454 nan 8.310 nan 0.000 0.582 57 T N 1.450 115.999 114.554 -0.009 0.000 2.829 57 T HA 0.667 5.017 4.350 0.000 0.000 0.280 57 T C 0.203 174.881 174.700 -0.038 0.000 0.999 57 T CA -0.301 61.796 62.100 -0.006 0.000 0.983 57 T CB 1.965 70.830 68.868 -0.006 0.000 0.968 57 T HN 0.660 nan 8.240 nan 0.000 0.446 58 V N 1.002 120.912 119.914 -0.007 0.000 2.769 58 V HA 0.792 4.912 4.120 0.000 0.000 0.312 58 V C -0.423 175.684 176.094 0.020 0.000 1.061 58 V CA -1.463 60.818 62.300 -0.032 0.000 0.931 58 V CB 1.824 33.599 31.823 -0.081 0.000 1.010 58 V HN 0.880 nan 8.190 nan 0.000 0.433 59 R N 2.336 122.852 120.500 0.026 0.000 2.294 59 R HA 0.768 5.108 4.340 0.000 0.000 0.319 59 R C -0.222 176.099 176.300 0.036 0.000 0.984 59 R CA 0.402 56.520 56.100 0.029 0.000 0.861 59 R CB 1.469 31.785 30.300 0.026 0.000 1.104 59 R HN 1.182 nan 8.270 nan 0.000 0.451 60 T N 1.899 116.473 114.554 0.034 0.000 2.901 60 T HA 0.520 4.870 4.350 0.000 0.000 0.293 60 T C 0.038 174.755 174.700 0.029 0.000 1.084 60 T CA -1.046 61.076 62.100 0.037 0.000 1.008 60 T CB 1.136 70.034 68.868 0.051 0.000 1.170 60 T HN 0.561 nan 8.240 nan 0.000 0.509 61 I N 0.277 120.866 120.570 0.031 0.000 2.355 61 I HA 0.749 4.919 4.170 0.000 0.000 0.288 61 I C 0.489 176.624 176.117 0.030 0.000 0.999 61 I CA -1.423 59.893 61.300 0.026 0.000 1.163 61 I CB 1.013 39.027 38.000 0.023 0.000 1.316 61 I HN 0.891 nan 8.210 nan 0.000 0.454 62 A N 7.220 130.055 122.820 0.025 0.000 2.540 62 A HA 0.300 4.620 4.320 0.000 0.000 0.239 62 A C 0.957 178.557 177.584 0.028 0.000 1.061 62 A CA -0.062 51.990 52.037 0.026 0.000 0.758 62 A CB 0.317 19.328 19.000 0.019 0.000 0.991 62 A HN 0.863 nan 8.150 nan 0.000 0.502 63 M N 0.809 120.428 119.600 0.031 0.000 2.495 63 M HA 0.184 4.664 4.480 0.000 0.000 0.237 63 M C -0.026 176.289 176.300 0.026 0.000 1.131 63 M CA 0.542 55.861 55.300 0.032 0.000 1.032 63 M CB -1.140 31.482 32.600 0.037 0.000 1.513 63 M HN 0.851 nan 8.290 nan 0.000 0.488 64 D N -1.095 119.319 120.400 0.023 0.000 2.692 64 D HA 0.494 5.134 4.640 0.000 0.000 0.303 64 D C -0.369 175.940 176.300 0.015 0.000 1.278 64 D CA -0.201 53.810 54.000 0.019 0.000 0.852 64 D CB 0.886 41.697 40.800 0.019 0.000 1.375 64 D HN 0.103 nan 8.370 nan 0.000 0.453 65 G N -1.131 107.677 108.800 0.013 0.000 2.568 65 G HA2 0.338 4.298 3.960 0.000 0.000 0.231 65 G HA3 0.338 4.298 3.960 0.000 0.000 0.231 65 G C 0.729 175.634 174.900 0.009 0.000 1.261 65 G CA 0.736 45.842 45.100 0.010 0.000 0.855 65 G HN 0.506 nan 8.290 nan 0.000 0.576 66 T N -2.184 112.375 114.554 0.007 0.000 3.040 66 T HA 0.210 4.560 4.350 0.000 0.000 0.266 66 T C 0.303 175.004 174.700 0.003 0.000 1.005 66 T CA -0.040 62.064 62.100 0.006 0.000 0.906 66 T CB 0.213 69.085 68.868 0.006 0.000 1.082 66 T HN 0.577 nan 8.240 nan 0.000 0.531 67 E N 1.803 122.005 120.200 0.003 0.000 2.452 67 E HA 0.460 4.810 4.350 0.000 0.000 0.261 67 E C 1.359 177.959 176.600 0.001 0.000 0.987 67 E CA 0.326 56.727 56.400 0.002 0.000 0.926 67 E CB -0.315 29.387 29.700 0.002 0.000 0.934 67 E HN 0.400 nan 8.360 nan 0.000 0.452 68 G N 2.033 110.832 108.800 -0.001 0.000 2.308 68 G HA2 -0.277 3.684 3.960 0.000 0.000 0.221 68 G HA3 -0.277 3.684 3.960 0.000 0.000 0.221 68 G C 0.197 175.095 174.900 -0.004 0.000 1.032 68 G CA -0.167 44.932 45.100 -0.002 0.000 0.623 68 G HN 0.507 nan 8.290 nan 0.000 0.506 69 L N 1.210 122.430 121.223 -0.004 0.000 2.573 69 L HA 0.335 4.675 4.340 0.000 0.000 0.290 69 L C 0.631 177.495 176.870 -0.011 0.000 1.247 69 L CA 0.284 55.119 54.840 -0.008 0.000 0.876 69 L CB 0.559 42.614 42.059 -0.007 0.000 1.123 69 L HN 0.106 nan 8.230 nan 0.000 0.505 70 V N 3.066 122.971 119.914 -0.015 0.000 2.680 70 V HA 0.367 4.487 4.120 0.000 0.000 0.309 70 V C 0.102 176.182 176.094 -0.023 0.000 1.052 70 V CA -0.945 61.345 62.300 -0.017 0.000 0.908 70 V CB 1.932 33.745 31.823 -0.017 0.000 1.001 70 V HN 0.641 nan 8.190 nan 0.000 0.431 71 R N 2.303 122.789 120.500 -0.023 0.000 2.458 71 R HA 0.421 4.761 4.340 0.000 0.000 0.303 71 R C 1.263 177.541 176.300 -0.036 0.000 1.013 71 R CA 1.067 57.149 56.100 -0.030 0.000 1.026 71 R CB 0.106 30.391 30.300 -0.026 0.000 0.948 71 R HN 1.198 nan 8.270 nan 0.000 0.417 72 G N 1.860 110.631 108.800 -0.049 0.000 2.259 72 G HA2 -0.297 3.663 3.960 0.000 0.000 0.217 72 G HA3 -0.297 3.663 3.960 0.000 0.000 0.217 72 G C 0.256 175.121 174.900 -0.058 0.000 1.001 72 G CA -0.205 44.862 45.100 -0.055 0.000 0.627 72 G HN 0.590 nan 8.290 nan 0.000 0.501 73 Q N 1.289 121.060 119.800 -0.049 0.000 2.354 73 Q HA 0.311 4.651 4.340 0.000 0.000 0.310 73 Q C 0.312 176.274 176.000 -0.063 0.000 1.104 73 Q CA 0.746 56.522 55.803 -0.045 0.000 0.968 73 Q CB 0.260 28.978 28.738 -0.033 0.000 1.251 73 Q HN 0.536 nan 8.270 nan 0.000 0.411 74 K N 1.194 121.562 120.400 -0.054 0.000 2.185 74 K HA 0.466 4.786 4.320 0.000 0.000 0.271 74 K C -1.172 175.396 176.600 -0.054 0.000 1.013 74 K CA -0.577 55.669 56.287 -0.068 0.000 0.943 74 K CB 1.398 33.869 32.500 -0.047 0.000 0.998 74 K HN 0.238 nan 8.250 nan 0.000 0.468 75 V N 3.608 123.478 119.914 -0.074 0.000 2.569 75 V HA 0.264 4.384 4.120 0.000 0.000 0.301 75 V C -0.839 175.299 176.094 0.073 0.000 1.044 75 V CA -0.850 61.444 62.300 -0.011 0.000 0.874 75 V CB 1.433 33.241 31.823 -0.026 0.000 1.002 75 V HN 0.597 nan 8.190 nan 0.000 0.424 76 L N 3.503 124.793 121.223 0.111 0.000 2.275 76 L HA 0.486 4.826 4.340 0.000 0.000 0.288 76 L C -0.078 176.900 176.870 0.179 0.000 1.046 76 L CA -0.456 54.474 54.840 0.150 0.000 0.805 76 L CB 1.477 43.583 42.059 0.078 0.000 1.193 76 L HN 0.620 nan 8.230 nan 0.000 0.426 77 D N 1.612 122.135 120.400 0.206 0.000 2.339 77 D HA -0.016 4.624 4.640 0.000 0.000 0.256 77 D C 1.149 177.451 176.300 0.004 0.000 1.214 77 D CA -0.012 54.006 54.000 0.031 0.000 0.877 77 D CB 1.432 42.109 40.800 -0.205 0.000 1.111 77 D HN 0.542 nan 8.370 nan 0.000 0.478 78 S N 2.985 118.685 115.700 0.000 0.000 2.481 78 S HA 0.060 4.530 4.470 0.000 0.000 0.231 78 S C 1.752 176.339 174.600 -0.021 0.000 0.996 78 S CA 0.887 59.084 58.200 -0.005 0.000 0.942 78 S CB -0.348 62.855 63.200 0.005 0.000 0.768 78 S HN 0.932 nan 8.310 nan 0.000 0.520 79 G N 0.231 109.008 108.800 -0.037 0.000 2.234 79 G HA2 -0.022 3.938 3.960 0.000 0.000 0.260 79 G HA3 -0.022 3.938 3.960 0.000 0.000 0.260 79 G C 0.207 175.093 174.900 -0.023 0.000 0.987 79 G CA 0.031 45.108 45.100 -0.038 0.000 0.625 79 G HN 1.598 nan 8.290 nan 0.000 0.532 80 A N -0.396 122.418 122.820 -0.009 0.000 2.593 80 A HA 0.947 5.267 4.320 0.000 0.000 0.290 80 A C -2.618 174.987 177.584 0.035 0.000 1.126 80 A CA -0.605 51.440 52.037 0.012 0.000 0.695 80 A CB 1.372 20.383 19.000 0.017 0.000 1.290 80 A HN 0.131 nan 8.150 nan 0.000 0.414 81 P HA 0.247 nan 4.420 nan 0.000 0.285 81 P C -0.323 177.042 177.300 0.108 0.000 1.282 81 P CA -0.143 63.035 63.100 0.130 0.000 0.778 81 P CB 0.199 32.043 31.700 0.240 0.000 1.222 82 I N 0.219 120.863 120.570 0.122 0.000 2.587 82 I HA 0.036 4.206 4.170 0.000 0.000 0.284 82 I C 1.317 177.469 176.117 0.058 0.000 1.134 82 I CA 0.617 61.960 61.300 0.072 0.000 1.410 82 I CB -0.128 37.901 38.000 0.048 0.000 1.392 82 I HN 0.073 nan 8.210 nan 0.000 0.545 83 R N 7.175 127.731 120.500 0.094 0.000 2.445 83 R HA 0.655 4.995 4.340 0.000 0.000 0.308 83 R C -0.699 175.723 176.300 0.202 0.000 0.961 83 R CA -0.740 55.450 56.100 0.150 0.000 0.862 83 R CB 1.678 32.093 30.300 0.192 0.000 1.144 83 R HN 0.580 nan 8.270 nan 0.000 0.447 84 I N -0.489 120.131 120.570 0.082 0.000 2.797 84 I HA 0.629 4.799 4.170 0.000 0.000 0.307 84 I C -2.520 173.338 176.117 -0.431 0.000 1.033 84 I CA -3.432 57.822 61.300 -0.076 0.000 1.071 84 I CB 1.975 39.907 38.000 -0.114 0.000 1.255 84 I HN 0.305 nan 8.210 nan 0.000 0.445 85 P HA 0.104 nan 4.420 nan 0.000 0.264 85 P C -0.643 176.286 177.300 -0.618 0.000 1.193 85 P CA -0.014 62.468 63.100 -1.031 0.000 0.763 85 P CB 0.630 31.933 31.700 -0.661 0.000 0.810 86 V N 0.586 120.133 119.914 -0.612 0.000 3.001 86 V HA 1.025 5.145 4.120 0.000 0.000 0.314 86 V C 0.090 175.593 176.094 -0.984 0.000 1.099 86 V CA -0.427 61.471 62.300 -0.670 0.000 0.989 86 V CB 1.450 32.982 31.823 -0.485 0.000 1.040 86 V HN 0.923 nan 8.190 nan 0.000 0.434 87 G N 2.195 110.163 108.800 -1.386 0.000 2.459 87 G HA2 0.090 4.050 3.960 0.000 0.000 0.685 87 G HA3 0.090 4.050 3.960 0.000 0.000 0.685 87 G C -2.447 172.255 174.900 -0.330 0.000 1.303 87 G CA -0.157 44.291 45.100 -1.087 0.000 0.907 87 G HN 0.652 nan 8.290 nan 0.000 0.632 88 P HA -0.096 nan 4.420 nan 0.000 0.219 88 P C 1.478 178.751 177.300 -0.044 0.000 1.144 88 P CA 1.794 64.964 63.100 0.116 0.000 0.806 88 P CB 0.156 31.940 31.700 0.140 0.000 0.771 89 E N -1.081 119.066 120.200 -0.089 0.000 2.494 89 E HA -0.020 4.330 4.350 0.000 0.000 0.193 89 E C 0.904 177.432 176.600 -0.120 0.000 1.074 89 E CA 0.901 57.243 56.400 -0.097 0.000 0.867 89 E CB -1.172 28.476 29.700 -0.088 0.000 0.924 89 E HN 0.320 nan 8.360 nan 0.000 0.502 90 T N -1.426 113.049 114.554 -0.131 0.000 3.057 90 T HA 0.196 4.546 4.350 0.000 0.000 0.254 90 T C 1.060 175.707 174.700 -0.090 0.000 1.094 90 T CA -0.319 61.701 62.100 -0.133 0.000 1.088 90 T CB -0.236 68.527 68.868 -0.176 0.000 0.934 90 T HN 0.017 nan 8.240 nan 0.000 0.497 91 L N 1.966 123.136 121.223 -0.088 0.000 2.455 91 L HA 0.495 4.835 4.340 0.000 0.000 0.272 91 L C 1.670 178.485 176.870 -0.092 0.000 1.174 91 L CA 0.654 55.425 54.840 -0.116 0.000 0.869 91 L CB 0.052 41.950 42.059 -0.269 0.000 1.130 91 L HN 0.473 nan 8.230 nan 0.000 0.474 92 G N 1.542 110.303 108.800 -0.064 0.000 2.168 92 G HA2 -0.233 3.727 3.960 0.000 0.000 0.263 92 G HA3 -0.233 3.727 3.960 0.000 0.000 0.263 92 G C 0.424 175.307 174.900 -0.028 0.000 0.977 92 G CA -0.159 44.926 45.100 -0.026 0.000 0.659 92 G HN 0.489 nan 8.290 nan 0.000 0.533 93 R N -0.465 119.984 120.500 -0.086 0.000 2.674 93 R HA 0.749 5.089 4.340 0.000 0.000 0.266 93 R C 0.216 176.379 176.300 -0.229 0.000 1.016 93 R CA -0.915 55.107 56.100 -0.130 0.000 1.062 93 R CB 0.877 31.105 30.300 -0.120 0.000 1.142 93 R HN 0.266 nan 8.270 nan 0.000 0.517 94 I N 2.117 122.505 120.570 -0.304 0.000 2.382 94 I HA 0.378 4.548 4.170 0.000 0.000 0.286 94 I C 0.267 176.224 176.117 -0.267 0.000 1.002 94 I CA -0.384 60.664 61.300 -0.420 0.000 1.135 94 I CB 1.578 39.191 38.000 -0.645 0.000 1.288 94 I HN 0.273 nan 8.210 nan 0.000 0.448 95 M N 5.852 125.320 119.600 -0.221 0.000 2.528 95 M HA 0.487 4.967 4.480 0.000 0.000 0.321 95 M C -0.943 175.314 176.300 -0.072 0.000 1.153 95 M CA -0.438 54.783 55.300 -0.130 0.000 0.951 95 M CB 2.082 34.608 32.600 -0.123 0.000 1.705 95 M HN 0.574 nan 8.290 nan 0.000 0.451 96 N N 1.897 120.575 118.700 -0.037 0.000 2.408 96 N HA 0.242 4.982 4.740 0.000 0.000 0.260 96 N C 0.702 176.215 175.510 0.005 0.000 1.242 96 N CA -0.425 52.627 53.050 0.005 0.000 0.959 96 N CB 0.964 39.452 38.487 0.002 0.000 1.201 96 N HN 0.556 nan 8.380 nan 0.000 0.511 97 V N 0.970 120.896 119.914 0.021 0.000 2.278 97 V HA -0.248 3.872 4.120 0.000 0.000 0.251 97 V C 1.624 177.720 176.094 0.003 0.000 1.062 97 V CA 2.326 64.635 62.300 0.015 0.000 1.038 97 V CB -1.253 30.585 31.823 0.025 0.000 0.646 97 V HN 0.788 nan 8.190 nan 0.000 0.447 98 I N -1.379 119.199 120.570 0.012 0.000 3.862 98 I HA 0.669 4.839 4.170 0.000 0.000 0.328 98 I C 1.328 177.458 176.117 0.021 0.000 1.474 98 I CA 0.437 61.750 61.300 0.021 0.000 1.215 98 I CB -0.433 37.588 38.000 0.034 0.000 1.183 98 I HN 0.337 nan 8.210 nan 0.000 0.413 99 G N 1.005 109.798 108.800 -0.011 0.000 2.189 99 G HA2 -0.295 3.665 3.960 0.000 0.000 0.267 99 G HA3 -0.295 3.665 3.960 0.000 0.000 0.267 99 G C 0.057 174.935 174.900 -0.037 0.000 0.975 99 G CA 0.306 45.382 45.100 -0.040 0.000 0.644 99 G HN 0.672 nan 8.290 nan 0.000 0.537 100 E N 1.852 122.045 120.200 -0.012 0.000 2.383 100 E HA 0.375 4.725 4.350 0.000 0.000 0.264 100 E C -2.244 174.333 176.600 -0.039 0.000 1.050 100 E CA -1.476 54.917 56.400 -0.012 0.000 0.896 100 E CB 0.924 30.626 29.700 0.004 0.000 0.982 100 E HN 0.238 nan 8.360 nan 0.000 0.424 101 P HA 0.079 nan 4.420 nan 0.000 0.287 101 P C -0.051 177.213 177.300 -0.059 0.000 1.281 101 P CA 0.118 63.177 63.100 -0.068 0.000 0.781 101 P CB 0.297 31.961 31.700 -0.061 0.000 0.903 102 I N 0.017 120.535 120.570 -0.086 0.000 3.936 102 I HA 0.257 4.427 4.170 0.000 0.000 0.330 102 I C 0.267 176.327 176.117 -0.095 0.000 1.509 102 I CA -0.232 61.030 61.300 -0.063 0.000 1.126 102 I CB -0.006 37.974 38.000 -0.034 0.000 1.115 102 I HN 0.025 nan 8.210 nan 0.000 0.424 103 D N 0.592 120.912 120.400 -0.133 0.000 2.369 103 D HA -0.005 4.635 4.640 0.000 0.000 0.211 103 D C 0.675 176.956 176.300 -0.032 0.000 1.077 103 D CA 0.001 53.911 54.000 -0.149 0.000 0.842 103 D CB -0.115 40.519 40.800 -0.275 0.000 0.947 103 D HN 0.519 nan 8.370 nan 0.000 0.509 104 E N -0.509 119.677 120.200 -0.023 0.000 3.547 104 E HA -0.265 4.085 4.350 0.000 0.000 0.300 104 E C 0.357 176.964 176.600 0.011 0.000 0.857 104 E CA 0.485 56.888 56.400 0.004 0.000 1.039 104 E CB -1.164 28.551 29.700 0.025 0.000 1.524 104 E HN 0.383 nan 8.360 nan 0.000 0.457 105 R N 0.724 121.226 120.500 0.004 0.000 2.541 105 R HA 0.203 4.543 4.340 0.000 0.000 0.245 105 R C 0.959 177.257 176.300 -0.002 0.000 1.154 105 R CA 0.479 56.585 56.100 0.009 0.000 1.179 105 R CB 0.178 30.486 30.300 0.013 0.000 1.189 105 R HN 0.319 nan 8.270 nan 0.000 0.526 106 G N 1.724 110.522 108.800 -0.003 0.000 2.855 106 G HA2 -0.241 3.719 3.960 0.000 0.000 0.352 106 G HA3 -0.241 3.719 3.960 0.000 0.000 0.352 106 G C -2.314 172.579 174.900 -0.012 0.000 1.415 106 G CA -1.282 43.816 45.100 -0.004 0.000 0.871 106 G HN 0.091 nan 8.290 nan 0.000 0.543 107 P HA 0.219 nan 4.420 nan 0.000 0.270 107 P C 0.320 177.606 177.300 -0.024 0.000 1.216 107 P CA 0.172 63.268 63.100 -0.007 0.000 0.788 107 P CB 0.236 31.940 31.700 0.007 0.000 0.883 108 I N 1.090 121.639 120.570 -0.034 0.000 2.442 108 I HA 0.155 4.325 4.170 0.000 0.000 0.279 108 I C 0.384 176.466 176.117 -0.059 0.000 1.081 108 I CA -0.537 60.721 61.300 -0.069 0.000 1.197 108 I CB 0.099 38.028 38.000 -0.119 0.000 1.394 108 I HN 0.069 nan 8.210 nan 0.000 0.488 109 K N 4.938 125.318 120.400 -0.033 0.000 2.307 109 K HA 0.171 4.491 4.320 0.000 0.000 0.285 109 K C 0.324 176.908 176.600 -0.027 0.000 1.073 109 K CA -0.011 56.272 56.287 -0.007 0.000 0.996 109 K CB 0.028 32.529 32.500 0.001 0.000 0.994 109 K HN 0.544 nan 8.250 nan 0.000 0.452 110 T N -0.613 113.929 114.554 -0.020 0.000 2.930 110 T HA 0.373 4.723 4.350 0.000 0.000 0.290 110 T C 0.441 175.185 174.700 0.074 0.000 1.052 110 T CA -1.139 60.931 62.100 -0.049 0.000 1.017 110 T CB 1.761 70.497 68.868 -0.221 0.000 1.137 110 T HN 0.411 nan 8.240 nan 0.000 0.511 111 K N -0.247 120.193 120.400 0.066 0.000 2.373 111 K HA 0.258 4.578 4.320 0.000 0.000 0.200 111 K C -0.241 176.461 176.600 0.170 0.000 1.054 111 K CA -0.153 56.205 56.287 0.117 0.000 1.065 111 K CB 0.420 32.968 32.500 0.081 0.000 0.886 111 K HN 0.402 nan 8.250 nan 0.000 0.546 112 Q N 0.109 119.998 119.800 0.148 0.000 2.353 112 Q HA 0.506 4.846 4.340 0.000 0.000 0.268 112 Q C -1.085 174.999 176.000 0.140 0.000 1.045 112 Q CA -0.416 55.496 55.803 0.183 0.000 0.811 112 Q CB 1.409 30.259 28.738 0.186 0.000 1.305 112 Q HN -0.096 nan 8.270 nan 0.000 0.447 113 F N 0.346 120.295 119.950 -0.002 0.000 2.639 113 F HA 0.936 5.463 4.527 0.000 0.000 0.339 113 F C -0.467 175.335 175.800 0.003 0.000 1.071 113 F CA -1.012 56.975 58.000 -0.021 0.000 0.994 113 F CB 1.968 40.957 39.000 -0.018 0.000 1.341 113 F HN 0.599 nan 8.300 nan 0.000 0.498 114 A N 0.414 123.332 122.820 0.163 0.000 2.555 114 A HA 0.714 5.034 4.320 0.000 0.000 0.297 114 A C -1.502 176.121 177.584 0.067 0.000 1.060 114 A CA -0.487 51.607 52.037 0.095 0.000 0.710 114 A CB 0.551 19.583 19.000 0.054 0.000 1.282 114 A HN 1.172 nan 8.150 nan 0.000 0.399 115 A N 1.853 124.709 122.820 0.059 0.000 2.488 115 A HA 0.463 4.783 4.320 0.000 0.000 0.249 115 A C 1.226 178.802 177.584 -0.013 0.000 1.083 115 A CA 0.252 52.315 52.037 0.042 0.000 0.768 115 A CB -0.407 18.631 19.000 0.063 0.000 1.017 115 A HN 1.761 nan 8.150 nan 0.000 0.496 116 I N -0.162 120.356 120.570 -0.086 0.000 2.928 116 I HA 0.012 4.182 4.170 0.000 0.000 0.266 116 I C -0.027 175.918 176.117 -0.287 0.000 1.234 116 I CA 0.472 61.652 61.300 -0.200 0.000 1.483 116 I CB -0.446 37.394 38.000 -0.268 0.000 1.097 116 I HN 0.509 nan 8.210 nan 0.000 0.455 117 H N 3.046 122.126 119.070 0.017 0.000 2.652 117 H HA 0.738 5.294 4.556 0.000 0.000 0.298 117 H C -0.459 174.875 175.328 0.010 0.000 1.076 117 H CA -0.194 55.862 56.048 0.014 0.000 1.360 117 H CB 1.359 31.131 29.762 0.016 0.000 1.421 117 H HN 0.396 nan 8.280 nan 0.000 0.464 118 A N 3.888 126.768 122.820 0.100 0.000 2.520 118 A HA 0.342 4.662 4.320 0.000 0.000 0.298 118 A C -0.210 177.404 177.584 0.049 0.000 1.051 118 A CA -0.999 51.073 52.037 0.058 0.000 0.690 118 A CB 1.686 20.700 19.000 0.024 0.000 1.281 118 A HN 0.567 nan 8.150 nan 0.000 0.402 119 E N 0.900 121.123 120.200 0.039 0.000 2.408 119 E HA 0.429 4.779 4.350 0.000 0.000 0.259 119 E C 0.493 177.107 176.600 0.024 0.000 1.110 119 E CA 0.107 56.526 56.400 0.032 0.000 0.929 119 E CB 0.845 30.561 29.700 0.027 0.000 0.971 119 E HN 0.791 nan 8.360 nan 0.000 0.438 120 A N 2.609 125.444 122.820 0.024 0.000 2.322 120 A HA 0.382 4.702 4.320 0.000 0.000 0.269 120 A C -2.080 175.516 177.584 0.020 0.000 1.094 120 A CA -1.353 50.695 52.037 0.018 0.000 0.807 120 A CB -0.465 18.548 19.000 0.021 0.000 1.047 120 A HN 0.323 nan 8.150 nan 0.000 0.487 121 P HA -0.053 nan 4.420 nan 0.000 0.259 121 P C 0.026 177.342 177.300 0.027 0.000 1.155 121 P CA 0.645 63.749 63.100 0.007 0.000 0.759 121 P CB 0.295 31.988 31.700 -0.011 0.000 0.753 122 E N 1.921 122.144 120.200 0.039 0.000 2.416 122 E HA -0.036 4.314 4.350 0.000 0.000 0.254 122 E C 0.913 177.579 176.600 0.110 0.000 1.241 122 E CA -0.147 56.300 56.400 0.079 0.000 0.969 122 E CB 0.144 29.887 29.700 0.072 0.000 0.999 122 E HN 0.394 nan 8.360 nan 0.000 0.481 123 F N 1.439 121.388 119.950 -0.002 0.000 2.171 123 F HA -0.210 4.317 4.527 0.000 0.000 0.300 123 F C 1.984 177.782 175.800 -0.004 0.000 1.090 123 F CA 1.611 59.610 58.000 -0.002 0.000 1.293 123 F CB -0.086 38.913 39.000 -0.002 0.000 1.013 123 F HN 0.266 nan 8.300 nan 0.000 0.486 124 V N -2.094 117.948 119.914 0.212 0.000 2.913 124 V HA -0.155 3.965 4.120 0.000 0.000 0.260 124 V C 1.485 177.577 176.094 -0.002 0.000 1.098 124 V CA 1.909 64.272 62.300 0.106 0.000 1.121 124 V CB -0.954 30.935 31.823 0.110 0.000 0.714 124 V HN 0.446 nan 8.190 nan 0.000 0.487 125 E N 0.036 120.226 120.200 -0.016 0.000 2.442 125 E HA 0.168 4.518 4.350 0.000 0.000 0.195 125 E C 0.553 177.108 176.600 -0.075 0.000 1.030 125 E CA -0.154 56.225 56.400 -0.035 0.000 0.869 125 E CB -0.035 29.656 29.700 -0.016 0.000 0.857 125 E HN 0.472 nan 8.360 nan 0.000 0.505 126 M N 1.445 120.964 119.600 -0.136 0.000 2.238 126 M HA 0.060 4.540 4.480 0.000 0.000 0.350 126 M C 0.530 176.737 176.300 -0.155 0.000 1.321 126 M CA 0.208 55.405 55.300 -0.172 0.000 1.097 126 M CB 0.681 33.092 32.600 -0.314 0.000 1.713 126 M HN -0.127 nan 8.290 nan 0.000 0.455 127 S N 1.920 117.551 115.700 -0.114 0.000 2.603 127 S HA 0.431 4.901 4.470 0.000 0.000 0.268 127 S C 0.782 175.317 174.600 -0.108 0.000 1.317 127 S CA -0.717 57.426 58.200 -0.094 0.000 1.012 127 S CB 0.667 63.826 63.200 -0.068 0.000 0.926 127 S HN 0.582 nan 8.310 nan 0.000 0.539 128 V N 0.042 119.903 119.914 -0.088 0.000 3.432 128 V HA 0.517 4.637 4.120 0.000 0.000 0.298 128 V C 0.410 176.470 176.094 -0.056 0.000 1.464 128 V CA -0.388 61.862 62.300 -0.084 0.000 1.046 128 V CB -0.231 31.542 31.823 -0.083 0.000 0.887 128 V HN 0.622 nan 8.190 nan 0.000 0.441 129 E N 1.577 121.747 120.200 -0.049 0.000 2.283 129 E HA 0.444 4.794 4.350 0.000 0.000 0.271 129 E C -0.596 175.983 176.600 -0.035 0.000 1.031 129 E CA -0.266 56.113 56.400 -0.036 0.000 0.868 129 E CB 1.371 31.053 29.700 -0.030 0.000 1.094 129 E HN 0.341 nan 8.360 nan 0.000 0.401 130 Q N 2.125 121.908 119.800 -0.027 0.000 2.560 130 Q HA 0.232 4.572 4.340 0.000 0.000 0.238 130 Q C -0.858 175.133 176.000 -0.015 0.000 1.079 130 Q CA -0.149 55.640 55.803 -0.023 0.000 0.866 130 Q CB 0.822 29.546 28.738 -0.024 0.000 1.153 130 Q HN 0.370 nan 8.270 nan 0.000 0.530 131 E N 2.010 122.200 120.200 -0.016 0.000 2.197 131 E HA 0.341 4.691 4.350 0.000 0.000 0.281 131 E C -0.106 176.491 176.600 -0.004 0.000 0.995 131 E CA -0.513 55.882 56.400 -0.009 0.000 0.808 131 E CB 2.169 31.858 29.700 -0.018 0.000 1.093 131 E HN 0.483 nan 8.360 nan 0.000 0.394 132 I N 3.557 124.137 120.570 0.016 0.000 2.496 132 I HA 0.104 4.274 4.170 0.000 0.000 0.285 132 I C -0.788 175.337 176.117 0.013 0.000 1.080 132 I CA -0.624 60.697 61.300 0.034 0.000 1.404 132 I CB 0.453 38.495 38.000 0.070 0.000 1.403 132 I HN 0.424 nan 8.210 nan 0.000 0.539 133 L N 9.049 130.277 121.223 0.008 0.000 2.295 133 L HA 0.307 4.647 4.340 0.000 0.000 0.288 133 L C -0.518 176.352 176.870 -0.000 0.000 1.079 133 L CA -0.037 54.767 54.840 -0.060 0.000 0.830 133 L CB 0.867 42.898 42.059 -0.046 0.000 1.200 133 L HN 0.467 nan 8.230 nan 0.000 0.438 134 V N 4.959 124.911 119.914 0.063 0.000 2.572 134 V HA 0.140 4.260 4.120 0.000 0.000 0.291 134 V C 1.383 177.560 176.094 0.138 0.000 1.039 134 V CA 0.676 63.041 62.300 0.109 0.000 1.055 134 V CB 0.920 32.820 31.823 0.128 0.000 0.969 134 V HN 0.974 nan 8.190 nan 0.000 0.482 135 T N -0.195 114.354 114.554 -0.009 0.000 3.015 135 T HA 0.275 4.625 4.350 0.000 0.000 0.250 135 T C 1.394 176.058 174.700 -0.061 0.000 1.057 135 T CA 0.606 62.672 62.100 -0.055 0.000 1.066 135 T CB 0.485 69.221 68.868 -0.220 0.000 0.959 135 T HN 1.481 nan 8.240 nan 0.000 0.488 136 G N 1.921 110.691 108.800 -0.049 0.000 2.143 136 G HA2 -0.188 3.772 3.960 0.000 0.000 0.249 136 G HA3 -0.188 3.772 3.960 0.000 0.000 0.249 136 G C -0.007 174.869 174.900 -0.040 0.000 0.981 136 G CA 0.091 45.165 45.100 -0.044 0.000 0.665 136 G HN 0.672 nan 8.290 nan 0.000 0.528 137 I N 0.864 121.402 120.570 -0.053 0.000 2.388 137 I HA 0.228 4.398 4.170 0.000 0.000 0.281 137 I C 1.591 177.705 176.117 -0.004 0.000 1.046 137 I CA -0.910 60.396 61.300 0.010 0.000 1.187 137 I CB 0.985 38.994 38.000 0.015 0.000 1.351 137 I HN 0.008 nan 8.210 nan 0.000 0.472 138 K N 3.243 123.645 120.400 0.003 0.000 2.023 138 K HA -0.275 4.045 4.320 0.000 0.000 0.227 138 K C 1.920 178.457 176.600 -0.106 0.000 1.054 138 K CA 2.445 58.704 56.287 -0.047 0.000 0.977 138 K CB -0.682 31.794 32.500 -0.039 0.000 0.733 138 K HN 0.629 nan 8.250 nan 0.000 0.451 139 V N 0.045 119.914 119.914 -0.075 0.000 2.250 139 V HA -0.296 3.824 4.120 0.000 0.000 0.253 139 V C 2.312 178.365 176.094 -0.069 0.000 1.065 139 V CA 2.253 64.498 62.300 -0.092 0.000 1.039 139 V CB -1.244 30.577 31.823 -0.004 0.000 0.647 139 V HN 0.154 nan 8.190 nan 0.000 0.446 140 V N 0.983 120.873 119.914 -0.039 0.000 2.216 140 V HA -0.226 3.894 4.120 0.000 0.000 0.243 140 V C 2.555 178.620 176.094 -0.047 0.000 1.044 140 V CA 2.468 64.735 62.300 -0.054 0.000 0.995 140 V CB -0.985 30.725 31.823 -0.189 0.000 0.633 140 V HN 0.524 nan 8.190 nan 0.000 0.446 141 D N 0.010 120.366 120.400 -0.073 0.000 2.203 141 D HA -0.191 4.449 4.640 0.000 0.000 0.199 141 D C 1.897 178.237 176.300 0.066 0.000 0.997 141 D CA 1.596 55.593 54.000 -0.006 0.000 0.863 141 D CB -0.173 40.609 40.800 -0.030 0.000 0.928 141 D HN 0.429 nan 8.370 nan 0.000 0.458 142 L N -0.603 120.600 121.223 -0.035 0.000 2.202 142 L HA 0.059 4.399 4.340 0.000 0.000 0.205 142 L C 1.868 178.778 176.870 0.066 0.000 1.083 142 L CA 1.136 55.957 54.840 -0.031 0.000 0.790 142 L CB 0.016 41.872 42.059 -0.338 0.000 0.942 142 L HN -0.061 nan 8.230 nan 0.000 0.452 143 L N -0.705 120.508 121.223 -0.016 0.000 2.467 143 L HA 0.407 4.747 4.340 0.000 0.000 0.213 143 L C 0.841 177.733 176.870 0.036 0.000 1.053 143 L CA 0.501 55.336 54.840 -0.008 0.000 0.847 143 L CB -0.056 41.971 42.059 -0.053 0.000 1.075 143 L HN 0.222 nan 8.230 nan 0.000 0.479 144 A N 0.979 123.839 122.820 0.066 0.000 3.370 144 A HA 0.448 4.768 4.320 0.000 0.000 0.295 144 A C -2.617 175.071 177.584 0.173 0.000 1.030 144 A CA -0.942 51.166 52.037 0.118 0.000 0.883 144 A CB -0.181 18.907 19.000 0.147 0.000 1.191 144 A HN -0.140 nan 8.150 nan 0.000 0.507 145 P HA 0.082 nan 4.420 nan 0.000 0.267 145 P C -0.882 176.572 177.300 0.256 0.000 1.205 145 P CA 0.393 63.572 63.100 0.133 0.000 0.765 145 P CB 0.333 32.094 31.700 0.103 0.000 0.828 146 Y N 1.553 121.867 120.300 0.024 0.000 2.465 146 Y HA 0.267 4.817 4.550 0.000 0.000 0.331 146 Y C 1.285 177.175 175.900 -0.016 0.000 1.102 146 Y CA -1.282 56.819 58.100 0.001 0.000 1.358 146 Y CB -0.345 38.108 38.460 -0.011 0.000 1.213 146 Y HN 0.390 nan 8.280 nan 0.000 0.525 147 A N 4.679 127.564 122.820 0.109 0.000 2.366 147 A HA 0.283 4.603 4.320 0.000 0.000 0.272 147 A C 0.379 177.967 177.584 0.007 0.000 1.135 147 A CA -0.881 51.180 52.037 0.039 0.000 0.804 147 A CB -0.013 18.991 19.000 0.008 0.000 1.064 147 A HN 0.753 nan 8.150 nan 0.000 0.499 148 K N 2.016 122.408 120.400 -0.014 0.000 2.436 148 K HA 0.322 4.642 4.320 0.000 0.000 0.282 148 K C 1.233 177.802 176.600 -0.051 0.000 1.044 148 K CA 1.303 57.561 56.287 -0.048 0.000 1.028 148 K CB -0.175 32.284 32.500 -0.068 0.000 0.919 148 K HN 1.579 nan 8.250 nan 0.000 0.474 149 G N 2.486 111.249 108.800 -0.062 0.000 2.199 149 G HA2 -0.247 3.713 3.960 0.000 0.000 0.254 149 G HA3 -0.247 3.713 3.960 0.000 0.000 0.254 149 G C 0.426 175.289 174.900 -0.062 0.000 0.982 149 G CA -0.056 45.007 45.100 -0.062 0.000 0.632 149 G HN 0.970 nan 8.290 nan 0.000 0.529 150 G N -0.463 108.300 108.800 -0.062 0.000 2.580 150 G HA2 0.568 4.528 3.960 0.000 0.000 0.278 150 G HA3 0.568 4.528 3.960 0.000 0.000 0.278 150 G C -0.308 174.527 174.900 -0.108 0.000 1.212 150 G CA -0.286 44.775 45.100 -0.066 0.000 0.939 150 G HN 0.347 nan 8.290 nan 0.000 0.513 151 K N -0.560 119.778 120.400 -0.103 0.000 2.206 151 K HA 0.540 4.860 4.320 0.000 0.000 0.264 151 K C -0.779 175.707 176.600 -0.191 0.000 0.967 151 K CA -0.264 55.936 56.287 -0.145 0.000 0.844 151 K CB 1.822 34.265 32.500 -0.095 0.000 1.099 151 K HN 0.236 nan 8.250 nan 0.000 0.441 152 I N 1.489 121.884 120.570 -0.291 0.000 2.378 152 I HA 0.359 4.529 4.170 0.000 0.000 0.291 152 I C 0.550 176.505 176.117 -0.269 0.000 0.992 152 I CA -0.487 60.606 61.300 -0.346 0.000 1.154 152 I CB 2.080 39.636 38.000 -0.740 0.000 1.315 152 I HN 0.601 nan 8.210 nan 0.000 0.448 153 G N 5.840 114.515 108.800 -0.210 0.000 2.333 153 G HA2 0.469 4.429 3.960 0.000 0.000 0.290 153 G HA3 0.469 4.429 3.960 0.000 0.000 0.290 153 G C -0.754 173.929 174.900 -0.361 0.000 1.150 153 G CA -0.357 44.525 45.100 -0.362 0.000 0.895 153 G HN 0.495 nan 8.290 nan 0.000 0.444 154 L N 4.421 125.415 121.223 -0.381 0.000 2.352 154 L HA 0.533 4.873 4.340 0.000 0.000 0.272 154 L C -0.764 175.965 176.870 -0.235 0.000 1.109 154 L CA -1.232 53.508 54.840 -0.166 0.000 0.952 154 L CB -0.695 41.353 42.059 -0.019 0.000 1.314 154 L HN 0.327 nan 8.230 nan 0.000 0.427 155 F N 3.163 123.158 119.950 0.074 0.000 2.429 155 F HA 0.657 5.184 4.527 0.000 0.000 0.348 155 F C 1.249 177.102 175.800 0.088 0.000 1.109 155 F CA 0.344 58.391 58.000 0.078 0.000 1.232 155 F CB 1.228 40.278 39.000 0.083 0.000 1.157 155 F HN 0.625 nan 8.300 nan 0.000 0.564 156 G N 1.357 110.300 108.800 0.238 0.000 2.542 156 G HA2 0.385 4.345 3.960 0.000 0.000 0.391 156 G HA3 0.385 4.345 3.960 0.000 0.000 0.391 156 G C -0.247 174.735 174.900 0.136 0.000 1.551 156 G CA -0.661 44.542 45.100 0.173 0.000 0.946 156 G HN 1.023 nan 8.290 nan 0.000 0.662 157 G N 0.501 109.375 108.800 0.123 0.000 2.935 157 G HA2 0.812 4.772 3.960 0.000 0.000 0.157 157 G HA3 0.812 4.772 3.960 0.000 0.000 0.157 157 G C 0.920 175.871 174.900 0.085 0.000 1.712 157 G CA 0.821 45.985 45.100 0.108 0.000 1.071 157 G HN 1.984 nan 8.290 nan 0.000 0.539 158 A N -2.717 120.143 122.820 0.067 0.000 2.256 158 A HA 0.608 4.928 4.320 0.000 0.000 0.318 158 A C 1.322 178.934 177.584 0.047 0.000 1.103 158 A CA 0.647 52.715 52.037 0.051 0.000 0.860 158 A CB 0.283 19.305 19.000 0.036 0.000 1.182 158 A HN 2.370 nan 8.150 nan 0.000 0.501 159 G N -1.644 107.176 108.800 0.034 0.000 2.187 159 G HA2 -0.131 3.829 3.960 0.000 0.000 0.261 159 G HA3 -0.131 3.829 3.960 0.000 0.000 0.261 159 G C 0.486 175.414 174.900 0.046 0.000 1.000 159 G CA 1.189 46.306 45.100 0.029 0.000 0.718 159 G HN 2.081 nan 8.290 nan 0.000 0.519 160 V N -3.773 116.177 119.914 0.059 0.000 3.159 160 V HA 0.696 4.816 4.120 0.000 0.000 0.333 160 V C 1.656 177.802 176.094 0.087 0.000 1.424 160 V CA 0.610 62.960 62.300 0.084 0.000 1.125 160 V CB -0.051 31.830 31.823 0.096 0.000 1.075 160 V HN 2.046 nan 8.190 nan 0.000 0.482 161 G N 1.114 109.945 108.800 0.051 0.000 2.141 161 G HA2 -0.319 3.641 3.960 0.000 0.000 0.242 161 G HA3 -0.319 3.641 3.960 0.000 0.000 0.242 161 G C 0.992 175.941 174.900 0.082 0.000 0.982 161 G CA 0.678 45.802 45.100 0.039 0.000 0.662 161 G HN 0.514 nan 8.290 nan 0.000 0.527 162 K N 0.494 120.943 120.400 0.082 0.000 1.991 162 K HA -0.181 4.140 4.320 0.000 0.000 0.212 162 K C 2.886 179.523 176.600 0.062 0.000 1.049 162 K CA 2.585 58.927 56.287 0.092 0.000 0.932 162 K CB -0.645 31.907 32.500 0.087 0.000 0.717 162 K HN 0.664 nan 8.250 nan 0.000 0.441 163 T N -1.250 113.320 114.554 0.028 0.000 2.849 163 T HA -0.094 4.256 4.350 0.000 0.000 0.270 163 T C 2.047 176.745 174.700 -0.003 0.000 1.066 163 T CA 1.381 63.472 62.100 -0.016 0.000 1.130 163 T CB -0.398 68.447 68.868 -0.038 0.000 0.864 163 T HN 0.030 nan 8.240 nan 0.000 0.481 164 V N 0.740 120.683 119.914 0.048 0.000 2.379 164 V HA 0.023 4.143 4.120 0.000 0.000 0.245 164 V C 2.529 178.739 176.094 0.194 0.000 1.044 164 V CA 1.328 63.695 62.300 0.111 0.000 1.036 164 V CB -0.479 31.409 31.823 0.109 0.000 0.664 164 V HN 0.418 nan 8.190 nan 0.000 0.453 165 L N 0.077 121.439 121.223 0.232 0.000 1.989 165 L HA -0.174 4.166 4.340 0.000 0.000 0.211 165 L C 2.181 179.107 176.870 0.093 0.000 1.071 165 L CA 2.061 57.060 54.840 0.264 0.000 0.749 165 L CB -0.590 41.638 42.059 0.281 0.000 0.890 165 L HN 0.242 nan 8.230 nan 0.000 0.431 166 I N -1.286 119.284 120.570 0.001 0.000 2.151 166 I HA -0.397 3.774 4.170 0.000 0.000 0.243 166 I C 2.521 178.511 176.117 -0.212 0.000 1.080 166 I CA 1.908 63.040 61.300 -0.280 0.000 1.339 166 I CB -0.396 37.283 38.000 -0.534 0.000 1.039 166 I HN 0.330 nan 8.210 nan 0.000 0.409 167 M N -0.091 119.436 119.600 -0.123 0.000 2.213 167 M HA -0.221 4.259 4.480 0.000 0.000 0.263 167 M C 2.218 178.500 176.300 -0.030 0.000 1.062 167 M CA 1.646 56.907 55.300 -0.066 0.000 1.105 167 M CB -0.322 32.258 32.600 -0.033 0.000 1.385 167 M HN 0.171 nan 8.290 nan 0.000 0.417 168 E N 1.041 121.199 120.200 -0.070 0.000 2.028 168 E HA -0.121 4.229 4.350 0.000 0.000 0.190 168 E C 1.785 178.314 176.600 -0.119 0.000 0.984 168 E CA 1.226 57.507 56.400 -0.198 0.000 0.800 168 E CB -0.316 29.001 29.700 -0.638 0.000 0.758 168 E HN 0.416 nan 8.360 nan 0.000 0.448 169 L N 0.400 121.608 121.223 -0.027 0.000 2.021 169 L HA -0.256 4.084 4.340 0.000 0.000 0.215 169 L C 2.558 179.538 176.870 0.184 0.000 1.074 169 L CA 1.450 56.365 54.840 0.124 0.000 0.760 169 L CB -0.602 41.682 42.059 0.375 0.000 0.889 169 L HN 0.266 nan 8.230 nan 0.000 0.433 170 I N 0.101 120.824 120.570 0.255 0.000 2.044 170 I HA -0.420 3.750 4.170 0.000 0.000 0.234 170 I C 2.390 178.576 176.117 0.114 0.000 1.031 170 I CA 2.272 63.710 61.300 0.231 0.000 1.305 170 I CB -0.463 37.661 38.000 0.206 0.000 1.026 170 I HN 0.413 nan 8.210 nan 0.000 0.392 171 N N 0.738 119.474 118.700 0.058 0.000 2.192 171 N HA -0.242 4.498 4.740 0.000 0.000 0.188 171 N C 1.502 177.010 175.510 -0.004 0.000 1.013 171 N CA 1.835 54.896 53.050 0.020 0.000 0.863 171 N CB -0.029 38.457 38.487 -0.003 0.000 0.990 171 N HN 0.273 nan 8.380 nan 0.000 0.430 172 N N -0.608 118.082 118.700 -0.016 0.000 2.250 172 N HA -0.018 4.722 4.740 0.000 0.000 0.181 172 N C 1.444 176.950 175.510 -0.006 0.000 1.017 172 N CA 0.635 53.661 53.050 -0.040 0.000 0.866 172 N CB -0.249 38.192 38.487 -0.077 0.000 0.985 172 N HN 0.076 nan 8.380 nan 0.000 0.429 173 V N 0.904 120.861 119.914 0.071 0.000 2.667 173 V HA -0.022 4.098 4.120 0.000 0.000 0.252 173 V C 2.118 178.263 176.094 0.085 0.000 1.065 173 V CA 1.437 63.846 62.300 0.182 0.000 1.083 173 V CB -0.660 31.263 31.823 0.166 0.000 0.692 173 V HN 0.270 nan 8.190 nan 0.000 0.468 174 A N -0.250 122.588 122.820 0.029 0.000 1.897 174 A HA -0.165 4.155 4.320 0.000 0.000 0.215 174 A C 2.218 179.768 177.584 -0.057 0.000 1.181 174 A CA 1.733 53.760 52.037 -0.017 0.000 0.620 174 A CB -0.353 18.665 19.000 0.031 0.000 0.821 174 A HN 0.419 nan 8.150 nan 0.000 0.443 175 K N -0.068 120.295 120.400 -0.061 0.000 2.025 175 K HA 0.122 4.442 4.320 0.000 0.000 0.207 175 K C 1.754 178.265 176.600 -0.148 0.000 1.049 175 K CA 1.410 57.647 56.287 -0.084 0.000 0.933 175 K CB -0.338 32.120 32.500 -0.071 0.000 0.714 175 K HN 0.381 nan 8.250 nan 0.000 0.438 176 A N -0.560 122.109 122.820 -0.251 0.000 2.307 176 A HA 0.064 4.384 4.320 0.000 0.000 0.218 176 A C 0.439 177.560 177.584 -0.772 0.000 1.228 176 A CA 0.402 52.150 52.037 -0.482 0.000 0.857 176 A CB -0.160 18.480 19.000 -0.601 0.000 0.897 176 A HN 0.311 nan 8.150 nan 0.000 0.495 177 H N -3.025 116.007 119.070 -0.064 0.000 3.943 177 H HA 0.171 4.727 4.556 0.000 0.000 0.265 177 H C 1.587 176.846 175.328 -0.116 0.000 1.133 177 H CA 0.471 56.474 56.048 -0.075 0.000 1.188 177 H CB 0.231 29.953 29.762 -0.066 0.000 1.486 177 H HN 0.588 nan 8.280 nan 0.000 0.795 178 G N 1.038 109.797 108.800 -0.070 0.000 2.284 178 G HA2 -0.282 3.678 3.960 0.000 0.000 0.261 178 G HA3 -0.282 3.678 3.960 0.000 0.000 0.261 178 G C 0.917 175.598 174.900 -0.365 0.000 0.997 178 G CA 0.400 45.390 45.100 -0.183 0.000 0.621 178 G HN 0.706 nan 8.290 nan 0.000 0.534 179 G N -0.388 108.263 108.800 -0.248 0.000 2.467 179 G HA2 0.548 4.508 3.960 0.000 0.000 0.257 179 G HA3 0.548 4.508 3.960 0.000 0.000 0.257 179 G C 0.050 174.725 174.900 -0.374 0.000 1.227 179 G CA -0.216 44.679 45.100 -0.342 0.000 0.835 179 G HN 0.269 nan 8.290 nan 0.000 0.556 180 Y N 0.074 120.218 120.300 -0.260 0.000 2.378 180 Y HA 0.589 5.140 4.550 0.000 0.000 0.351 180 Y C 1.071 176.928 175.900 -0.072 0.000 1.351 180 Y CA -0.749 57.200 58.100 -0.251 0.000 1.616 180 Y CB 0.902 39.004 38.460 -0.596 0.000 1.622 180 Y HN 0.415 nan 8.280 nan 0.000 0.568 181 S N -0.458 115.378 115.700 0.227 0.000 2.568 181 S HA 0.753 5.223 4.470 0.000 0.000 0.293 181 S C -1.419 173.353 174.600 0.287 0.000 1.089 181 S CA -0.742 57.605 58.200 0.246 0.000 0.945 181 S CB 1.780 65.188 63.200 0.348 0.000 1.077 181 S HN 0.282 nan 8.310 nan 0.000 0.485 182 V N 2.635 122.716 119.914 0.279 0.000 2.656 182 V HA 0.546 4.666 4.120 0.000 0.000 0.307 182 V C -1.335 174.954 176.094 0.324 0.000 1.051 182 V CA -0.690 61.765 62.300 0.259 0.000 0.893 182 V CB 1.592 33.519 31.823 0.173 0.000 0.999 182 V HN 0.841 nan 8.190 nan 0.000 0.426 183 F N 3.990 124.045 119.950 0.176 0.000 2.403 183 F HA 0.782 5.309 4.527 0.000 0.000 0.355 183 F C 0.257 176.139 175.800 0.136 0.000 1.119 183 F CA -0.531 57.588 58.000 0.198 0.000 1.007 183 F CB 1.072 40.159 39.000 0.145 0.000 1.194 183 F HN 0.571 nan 8.300 nan 0.000 0.443 184 A N 4.404 127.028 122.820 -0.326 0.000 2.258 184 A HA 0.636 4.956 4.320 0.000 0.000 0.316 184 A C 0.116 177.549 177.584 -0.250 0.000 1.279 184 A CA -0.324 51.617 52.037 -0.159 0.000 0.876 184 A CB 0.279 19.200 19.000 -0.132 0.000 1.170 184 A HN 1.000 nan 8.150 nan 0.000 0.520 185 G N 1.894 110.759 108.800 0.109 0.000 2.571 185 G HA2 0.476 4.436 3.960 0.000 0.000 0.327 185 G HA3 0.476 4.436 3.960 0.000 0.000 0.327 185 G C -0.362 174.566 174.900 0.047 0.000 1.008 185 G CA -0.217 44.954 45.100 0.118 0.000 1.136 185 G HN 0.676 nan 8.290 nan 0.000 0.444 186 V N 2.564 122.478 119.914 0.000 0.000 2.387 186 V HA 0.489 4.609 4.120 0.000 0.000 0.260 186 V C 1.327 177.439 176.094 0.029 0.000 1.054 186 V CA 0.498 62.816 62.300 0.030 0.000 0.967 186 V CB 0.325 32.177 31.823 0.049 0.000 1.036 186 V HN 1.238 nan 8.190 nan 0.000 0.481 187 G N 3.387 112.200 108.800 0.022 0.000 2.333 187 G HA2 -0.192 3.768 3.960 0.000 0.000 0.296 187 G HA3 -0.192 3.768 3.960 0.000 0.000 0.296 187 G C 0.026 174.915 174.900 -0.018 0.000 1.059 187 G CA -0.236 44.869 45.100 0.008 0.000 1.050 187 G HN 0.630 nan 8.290 nan 0.000 0.508 188 E N -0.124 120.041 120.200 -0.058 0.000 2.404 188 E HA 0.213 4.563 4.350 0.000 0.000 0.261 188 E C 1.189 177.723 176.600 -0.111 0.000 1.074 188 E CA -0.159 56.164 56.400 -0.128 0.000 0.917 188 E CB 0.411 29.904 29.700 -0.345 0.000 0.965 188 E HN 0.599 nan 8.360 nan 0.000 0.433 189 R N 1.834 122.272 120.500 -0.103 0.000 2.202 189 R HA 0.188 4.528 4.340 0.000 0.000 0.334 189 R C 1.284 177.528 176.300 -0.093 0.000 1.036 189 R CA -0.296 55.761 56.100 -0.073 0.000 0.878 189 R CB 0.341 30.613 30.300 -0.045 0.000 1.067 189 R HN 0.420 nan 8.270 nan 0.000 0.457 190 T N 1.968 116.479 114.554 -0.070 0.000 2.668 190 T HA -0.327 4.023 4.350 0.000 0.000 0.265 190 T C 1.765 176.452 174.700 -0.022 0.000 1.041 190 T CA 2.045 64.118 62.100 -0.045 0.000 1.160 190 T CB -0.217 68.647 68.868 -0.007 0.000 0.857 190 T HN 0.574 nan 8.240 nan 0.000 0.455 191 R N 0.980 121.474 120.500 -0.011 0.000 2.070 191 R HA -0.120 4.220 4.340 0.000 0.000 0.233 191 R C 2.257 178.561 176.300 0.007 0.000 1.137 191 R CA 1.931 58.037 56.100 0.010 0.000 0.945 191 R CB -0.240 30.064 30.300 0.006 0.000 0.845 191 R HN 0.553 nan 8.270 nan 0.000 0.430 192 E N -0.870 119.316 120.200 -0.023 0.000 2.268 192 E HA -0.096 4.254 4.350 0.000 0.000 0.195 192 E C 1.804 178.382 176.600 -0.038 0.000 0.995 192 E CA 0.827 57.213 56.400 -0.024 0.000 0.836 192 E CB -0.060 29.621 29.700 -0.032 0.000 0.763 192 E HN 0.597 nan 8.360 nan 0.000 0.491 193 G N 1.929 110.670 108.800 -0.098 0.000 2.404 193 G HA2 -0.308 3.652 3.960 0.000 0.000 0.214 193 G HA3 -0.308 3.652 3.960 0.000 0.000 0.214 193 G C 1.469 176.462 174.900 0.156 0.000 1.189 193 G CA 0.835 45.836 45.100 -0.166 0.000 0.789 193 G HN 0.220 nan 8.290 nan 0.000 0.533 194 N N 0.914 119.704 118.700 0.151 0.000 2.223 194 N HA -0.083 4.657 4.740 0.000 0.000 0.185 194 N C 1.514 177.173 175.510 0.248 0.000 1.016 194 N CA 1.638 54.832 53.050 0.240 0.000 0.863 194 N CB -0.205 38.416 38.487 0.223 0.000 0.983 194 N HN 0.163 nan 8.380 nan 0.000 0.429 195 D N -0.465 120.028 120.400 0.154 0.000 2.183 195 D HA -0.070 4.570 4.640 0.000 0.000 0.203 195 D C 1.738 178.097 176.300 0.099 0.000 0.969 195 D CA 0.438 54.513 54.000 0.125 0.000 0.842 195 D CB -0.204 40.633 40.800 0.062 0.000 0.957 195 D HN 0.296 nan 8.370 nan 0.000 0.484 196 L N -0.319 120.952 121.223 0.080 0.000 2.240 196 L HA -0.072 4.268 4.340 0.000 0.000 0.211 196 L C 1.956 178.861 176.870 0.058 0.000 1.106 196 L CA 1.164 56.013 54.840 0.015 0.000 0.793 196 L CB -0.357 41.665 42.059 -0.062 0.000 0.927 196 L HN -0.021 nan 8.230 nan 0.000 0.446 197 Y N 0.337 120.610 120.300 -0.045 0.000 2.084 197 Y HA -0.233 4.317 4.550 0.000 0.000 0.279 197 Y C 2.553 178.363 175.900 -0.149 0.000 1.119 197 Y CA 2.143 60.155 58.100 -0.147 0.000 1.101 197 Y CB -1.005 37.321 38.460 -0.222 0.000 0.989 197 Y HN 0.370 nan 8.280 nan 0.000 0.484 198 H N -0.402 118.605 119.070 -0.104 0.000 2.489 198 H HA -0.121 4.435 4.556 0.000 0.000 0.295 198 H C 2.069 177.333 175.328 -0.106 0.000 1.082 198 H CA 1.477 57.399 56.048 -0.211 0.000 1.295 198 H CB 0.067 29.760 29.762 -0.115 0.000 1.380 198 H HN 0.527 nan 8.280 nan 0.000 0.548 199 E N 0.092 120.321 120.200 0.049 0.000 2.299 199 E HA -0.076 4.274 4.350 0.000 0.000 0.193 199 E C 1.776 178.379 176.600 0.006 0.000 0.998 199 E CA 0.190 56.615 56.400 0.041 0.000 0.851 199 E CB 0.171 29.891 29.700 0.035 0.000 0.795 199 E HN 0.472 nan 8.360 nan 0.000 0.492 200 M N 0.262 119.843 119.600 -0.032 0.000 2.193 200 M HA -0.042 4.438 4.480 0.000 0.000 0.265 200 M C 2.111 178.379 176.300 -0.053 0.000 1.071 200 M CA 0.929 56.204 55.300 -0.042 0.000 1.140 200 M CB 0.027 32.604 32.600 -0.038 0.000 1.369 200 M HN 0.181 nan 8.290 nan 0.000 0.423 201 I N -0.001 120.504 120.570 -0.109 0.000 2.127 201 I HA -0.313 3.857 4.170 0.000 0.000 0.241 201 I C 2.122 178.203 176.117 -0.060 0.000 1.075 201 I CA 1.594 62.824 61.300 -0.117 0.000 1.334 201 I CB -0.701 37.175 38.000 -0.208 0.000 1.040 201 I HN 0.353 nan 8.210 nan 0.000 0.405 202 E N 0.639 120.819 120.200 -0.033 0.000 2.333 202 E HA -0.160 4.190 4.350 0.000 0.000 0.198 202 E C 2.113 178.703 176.600 -0.017 0.000 1.007 202 E CA 1.498 57.887 56.400 -0.018 0.000 0.845 202 E CB 0.033 29.748 29.700 0.024 0.000 0.766 202 E HN 0.565 nan 8.360 nan 0.000 0.507 203 S N -1.636 114.064 115.700 -0.000 0.000 2.528 203 S HA 0.176 4.646 4.470 0.000 0.000 0.219 203 S C 1.639 176.233 174.600 -0.011 0.000 0.985 203 S CA 0.442 58.647 58.200 0.008 0.000 0.914 203 S CB 0.818 64.034 63.200 0.026 0.000 0.776 203 S HN 0.338 nan 8.310 nan 0.000 0.526 204 G N 1.208 109.995 108.800 -0.021 0.000 2.258 204 G HA2 -0.384 3.576 3.960 0.000 0.000 0.233 204 G HA3 -0.384 3.576 3.960 0.000 0.000 0.233 204 G C 1.052 175.943 174.900 -0.014 0.000 1.006 204 G CA 0.502 45.589 45.100 -0.022 0.000 0.620 204 G HN 1.360 nan 8.290 nan 0.000 0.511 205 V N -0.698 119.211 119.914 -0.008 0.000 2.944 205 V HA 0.264 4.384 4.120 0.000 0.000 0.265 205 V C 1.278 177.369 176.094 -0.005 0.000 1.125 205 V CA 1.703 64.004 62.300 0.001 0.000 1.145 205 V CB -0.484 31.343 31.823 0.006 0.000 0.725 205 V HN 0.566 nan 8.190 nan 0.000 0.510 206 I N 0.615 121.175 120.570 -0.017 0.000 2.740 206 I HA 0.499 4.669 4.170 0.000 0.000 0.303 206 I C -0.669 175.431 176.117 -0.028 0.000 1.044 206 I CA -0.537 60.753 61.300 -0.017 0.000 1.064 206 I CB 2.009 40.008 38.000 -0.001 0.000 1.249 206 I HN 0.145 nan 8.210 nan 0.000 0.433 207 N N 4.965 123.650 118.700 -0.025 0.000 2.480 207 N HA 0.327 5.067 4.740 0.000 0.000 0.289 207 N C -0.121 175.377 175.510 -0.021 0.000 1.073 207 N CA -0.382 52.652 53.050 -0.027 0.000 0.885 207 N CB 2.102 40.575 38.487 -0.023 0.000 1.421 207 N HN 0.585 nan 8.380 nan 0.000 0.503 208 L N 2.461 123.669 121.223 -0.026 0.000 2.610 208 L HA 0.037 4.377 4.340 0.000 0.000 0.232 208 L C 1.376 178.241 176.870 -0.009 0.000 1.149 208 L CA 0.807 55.639 54.840 -0.013 0.000 0.872 208 L CB 0.116 42.161 42.059 -0.022 0.000 0.992 208 L HN 0.447 nan 8.230 nan 0.000 0.447 209 K N -0.214 120.178 120.400 -0.013 0.000 2.602 209 K HA 0.121 4.441 4.320 0.000 0.000 0.245 209 K C -0.113 176.480 176.600 -0.011 0.000 1.288 209 K CA -0.201 56.079 56.287 -0.011 0.000 0.782 209 K CB 0.189 32.682 32.500 -0.012 0.000 1.694 209 K HN 0.137 nan 8.250 nan 0.000 0.384 210 D N 0.523 120.915 120.400 -0.012 0.000 2.264 210 D HA 0.293 4.933 4.640 0.000 0.000 0.249 210 D C -0.136 176.155 176.300 -0.014 0.000 1.070 210 D CA -0.488 53.506 54.000 -0.011 0.000 0.912 210 D CB 1.386 42.181 40.800 -0.008 0.000 1.193 210 D HN 0.280 nan 8.370 nan 0.000 0.427 211 A N 1.726 124.538 122.820 -0.013 0.000 2.028 211 A HA -0.005 4.315 4.320 0.000 0.000 0.207 211 A C 1.560 179.133 177.584 -0.019 0.000 1.396 211 A CA 0.738 52.763 52.037 -0.021 0.000 1.257 211 A CB -1.454 17.538 19.000 -0.014 0.000 0.752 211 A HN 0.689 nan 8.150 nan 0.000 0.549 212 T N -3.051 111.495 114.554 -0.014 0.000 3.129 212 T HA 0.111 4.461 4.350 0.000 0.000 0.251 212 T C 0.685 175.378 174.700 -0.012 0.000 1.117 212 T CA 0.435 62.534 62.100 -0.002 0.000 1.034 212 T CB -0.461 68.408 68.868 0.002 0.000 0.968 212 T HN 0.278 nan 8.240 nan 0.000 0.526 213 S N 2.189 117.864 115.700 -0.041 0.000 2.544 213 S HA 0.126 4.596 4.470 0.000 0.000 0.290 213 S C 0.917 175.459 174.600 -0.097 0.000 1.276 213 S CA -0.320 57.846 58.200 -0.057 0.000 1.075 213 S CB 0.728 63.885 63.200 -0.071 0.000 0.849 213 S HN 0.540 nan 8.310 nan 0.000 0.494 214 K N 1.176 121.559 120.400 -0.028 0.000 2.352 214 K HA 0.150 4.471 4.320 0.000 0.000 0.194 214 K C -0.185 176.427 176.600 0.019 0.000 1.038 214 K CA 0.295 56.604 56.287 0.037 0.000 1.023 214 K CB 0.331 32.905 32.500 0.124 0.000 0.840 214 K HN 0.425 nan 8.250 nan 0.000 0.519 215 V N 0.924 120.843 119.914 0.008 0.000 2.680 215 V HA 0.597 4.717 4.120 0.000 0.000 0.309 215 V C -0.567 175.544 176.094 0.028 0.000 1.052 215 V CA -1.384 60.956 62.300 0.066 0.000 0.908 215 V CB 1.578 33.458 31.823 0.096 0.000 1.001 215 V HN 0.068 nan 8.190 nan 0.000 0.431 216 A N 4.909 127.777 122.820 0.081 0.000 2.304 216 A HA 0.860 5.180 4.320 0.000 0.000 0.323 216 A C -0.701 176.908 177.584 0.043 0.000 1.195 216 A CA -0.559 51.499 52.037 0.034 0.000 0.826 216 A CB 0.675 19.707 19.000 0.053 0.000 1.184 216 A HN 0.840 nan 8.150 nan 0.000 0.496 217 L N 2.836 124.019 121.223 -0.068 0.000 2.295 217 L HA 0.557 4.897 4.340 0.000 0.000 0.285 217 L C -0.828 175.942 176.870 -0.167 0.000 1.035 217 L CA -0.820 53.947 54.840 -0.123 0.000 0.806 217 L CB 1.633 43.432 42.059 -0.433 0.000 1.214 217 L HN 0.402 nan 8.230 nan 0.000 0.426 218 V N 3.285 123.189 119.914 -0.017 0.000 2.407 218 V HA 0.381 4.501 4.120 0.000 0.000 0.291 218 V C -0.971 175.252 176.094 0.216 0.000 1.018 218 V CA -0.607 61.700 62.300 0.011 0.000 0.842 218 V CB 1.649 33.480 31.823 0.013 0.000 0.996 218 V HN 0.368 nan 8.190 nan 0.000 0.426 219 Y N 2.473 122.789 120.300 0.027 0.000 2.328 219 Y HA 0.688 5.238 4.550 0.000 0.000 0.337 219 Y C 0.735 176.646 175.900 0.019 0.000 0.966 219 Y CA -1.572 56.551 58.100 0.038 0.000 1.136 219 Y CB 2.193 40.661 38.460 0.013 0.000 1.170 219 Y HN 0.659 nan 8.280 nan 0.000 0.470 220 G N 4.390 113.283 108.800 0.154 0.000 2.716 220 G HA2 0.418 4.378 3.960 0.000 0.000 0.333 220 G HA3 0.418 4.378 3.960 0.000 0.000 0.333 220 G C -0.515 174.405 174.900 0.033 0.000 1.168 220 G CA -0.570 44.577 45.100 0.077 0.000 1.064 220 G HN 0.563 nan 8.290 nan 0.000 0.479 221 Q N 1.503 121.317 119.800 0.022 0.000 2.417 221 Q HA 0.225 4.565 4.340 0.000 0.000 0.241 221 Q C 1.639 177.636 176.000 -0.005 0.000 1.008 221 Q CA -0.369 55.426 55.803 -0.014 0.000 0.901 221 Q CB 1.460 30.192 28.738 -0.010 0.000 1.259 221 Q HN 0.520 nan 8.270 nan 0.000 0.489 222 M N 1.120 120.711 119.600 -0.015 0.000 2.202 222 M HA -0.210 4.270 4.480 0.000 0.000 0.262 222 M C 1.022 177.321 176.300 -0.000 0.000 1.063 222 M CA 1.607 56.904 55.300 -0.006 0.000 1.097 222 M CB -0.616 31.977 32.600 -0.011 0.000 1.382 222 M HN 0.671 nan 8.290 nan 0.000 0.413 223 N N 0.227 118.928 118.700 0.001 0.000 2.571 223 N HA -0.029 4.711 4.740 0.000 0.000 0.189 223 N C -0.164 175.351 175.510 0.008 0.000 1.154 223 N CA 0.144 53.197 53.050 0.004 0.000 0.907 223 N CB -0.129 38.361 38.487 0.006 0.000 0.977 223 N HN 0.519 nan 8.380 nan 0.000 0.449 224 E N 1.860 122.066 120.200 0.010 0.000 2.313 224 E HA 0.230 4.580 4.350 0.000 0.000 0.272 224 E C -2.271 174.336 176.600 0.012 0.000 1.038 224 E CA -2.219 54.190 56.400 0.014 0.000 0.863 224 E CB 0.680 30.392 29.700 0.020 0.000 1.060 224 E HN 0.064 nan 8.360 nan 0.000 0.402 225 P HA -0.053 nan 4.420 nan 0.000 0.269 225 P C -2.005 175.300 177.300 0.008 0.000 1.217 225 P CA -1.013 62.092 63.100 0.009 0.000 0.783 225 P CB -0.148 31.559 31.700 0.011 0.000 0.898 226 P HA -0.239 nan 4.420 nan 0.000 0.216 226 P C 1.589 178.887 177.300 -0.003 0.000 1.154 226 P CA 2.308 65.404 63.100 -0.007 0.000 0.865 226 P CB -0.706 30.984 31.700 -0.017 0.000 0.789 227 G N 0.066 108.870 108.800 0.006 0.000 2.418 227 G HA2 -0.213 3.747 3.960 0.000 0.000 0.217 227 G HA3 -0.213 3.747 3.960 0.000 0.000 0.217 227 G C 1.793 176.711 174.900 0.030 0.000 1.158 227 G CA 1.284 46.394 45.100 0.018 0.000 0.771 227 G HN 0.398 nan 8.290 nan 0.000 0.545 228 A N 1.388 124.225 122.820 0.029 0.000 1.841 228 A HA -0.065 4.255 4.320 0.000 0.000 0.216 228 A C 2.362 179.970 177.584 0.040 0.000 1.199 228 A CA 1.682 53.740 52.037 0.035 0.000 0.621 228 A CB -0.520 18.499 19.000 0.031 0.000 0.835 228 A HN 0.360 nan 8.150 nan 0.000 0.445 229 R N -0.172 120.349 120.500 0.034 0.000 2.355 229 R HA -0.041 4.299 4.340 0.000 0.000 0.219 229 R C 1.854 178.192 176.300 0.062 0.000 1.107 229 R CA 0.786 56.912 56.100 0.043 0.000 1.021 229 R CB -0.427 29.891 30.300 0.029 0.000 0.852 229 R HN 0.525 nan 8.270 nan 0.000 0.475 230 A N 0.612 123.460 122.820 0.047 0.000 2.044 230 A HA 0.059 4.379 4.320 0.000 0.000 0.213 230 A C 1.832 179.508 177.584 0.152 0.000 1.169 230 A CA 0.169 52.232 52.037 0.043 0.000 0.724 230 A CB 0.224 19.198 19.000 -0.043 0.000 0.840 230 A HN 0.015 nan 8.150 nan 0.000 0.463 231 R N 0.063 120.629 120.500 0.109 0.000 2.112 231 R HA -0.014 4.326 4.340 0.000 0.000 0.216 231 R C 2.066 178.398 176.300 0.053 0.000 1.080 231 R CA 1.417 57.568 56.100 0.086 0.000 0.996 231 R CB -1.405 28.924 30.300 0.048 0.000 0.902 231 R HN 0.475 nan 8.270 nan 0.000 0.449 232 V N 0.497 120.443 119.914 0.053 0.000 2.363 232 V HA -0.254 3.866 4.120 0.000 0.000 0.254 232 V C 2.461 178.548 176.094 -0.012 0.000 1.074 232 V CA 2.016 64.332 62.300 0.026 0.000 1.069 232 V CB -1.459 30.391 31.823 0.045 0.000 0.659 232 V HN 0.210 nan 8.190 nan 0.000 0.455 233 A N 0.416 123.221 122.820 -0.025 0.000 1.933 233 A HA -0.035 4.285 4.320 0.000 0.000 0.218 233 A C 2.264 179.767 177.584 -0.136 0.000 1.175 233 A CA 1.929 53.878 52.037 -0.146 0.000 0.628 233 A CB -0.521 18.262 19.000 -0.361 0.000 0.814 233 A HN 0.539 nan 8.150 nan 0.000 0.444 234 L N -0.764 120.408 121.223 -0.086 0.000 1.970 234 L HA -0.199 4.141 4.340 0.000 0.000 0.212 234 L C 2.856 179.661 176.870 -0.108 0.000 1.071 234 L CA 2.045 56.824 54.840 -0.102 0.000 0.751 234 L CB -1.330 40.663 42.059 -0.111 0.000 0.889 234 L HN 0.365 nan 8.230 nan 0.000 0.432 235 T N -0.121 114.379 114.554 -0.091 0.000 2.624 235 T HA -0.210 4.140 4.350 0.000 0.000 0.268 235 T C 1.760 176.412 174.700 -0.079 0.000 1.041 235 T CA 1.640 63.690 62.100 -0.083 0.000 1.159 235 T CB -0.790 68.045 68.868 -0.056 0.000 0.863 235 T HN 0.592 nan 8.240 nan 0.000 0.434 236 G N 0.958 109.719 108.800 -0.066 0.000 2.450 236 G HA2 -0.138 3.822 3.960 0.000 0.000 0.220 236 G HA3 -0.138 3.822 3.960 0.000 0.000 0.220 236 G C 1.519 176.379 174.900 -0.065 0.000 1.130 236 G CA 0.788 45.855 45.100 -0.054 0.000 0.760 236 G HN 0.446 nan 8.290 nan 0.000 0.557 237 L N 0.703 121.873 121.223 -0.088 0.000 2.156 237 L HA 0.090 4.430 4.340 0.000 0.000 0.208 237 L C 2.812 179.639 176.870 -0.071 0.000 1.095 237 L CA 2.208 56.995 54.840 -0.087 0.000 0.770 237 L CB -0.713 41.278 42.059 -0.112 0.000 0.914 237 L HN 0.127 nan 8.230 nan 0.000 0.439 238 T N -1.030 113.476 114.554 -0.080 0.000 2.674 238 T HA -0.166 4.184 4.350 0.000 0.000 0.265 238 T C 1.969 176.616 174.700 -0.090 0.000 1.039 238 T CA 1.697 63.753 62.100 -0.073 0.000 1.150 238 T CB -0.433 68.388 68.868 -0.078 0.000 0.864 238 T HN 0.177 nan 8.240 nan 0.000 0.427 239 V N 1.912 121.752 119.914 -0.124 0.000 2.250 239 V HA -0.272 3.848 4.120 0.000 0.000 0.250 239 V C 2.883 178.857 176.094 -0.199 0.000 1.060 239 V CA 2.006 64.183 62.300 -0.205 0.000 1.030 239 V CB -1.216 30.512 31.823 -0.158 0.000 0.643 239 V HN 0.573 nan 8.190 nan 0.000 0.445 240 A N -0.974 121.817 122.820 -0.048 0.000 2.019 240 A HA -0.230 4.090 4.320 0.000 0.000 0.219 240 A C 2.143 179.757 177.584 0.049 0.000 1.164 240 A CA 1.777 53.857 52.037 0.072 0.000 0.644 240 A CB -0.444 18.593 19.000 0.061 0.000 0.805 240 A HN 0.670 nan 8.150 nan 0.000 0.449 241 E N -1.775 118.418 120.200 -0.012 0.000 2.107 241 E HA -0.176 4.174 4.350 0.000 0.000 0.191 241 E C 1.739 178.332 176.600 -0.010 0.000 0.982 241 E CA 1.114 57.509 56.400 -0.009 0.000 0.809 241 E CB -0.280 29.407 29.700 -0.023 0.000 0.756 241 E HN 0.800 nan 8.360 nan 0.000 0.459 242 Y N 0.357 120.538 120.300 -0.198 0.000 2.128 242 Y HA -0.283 4.267 4.550 0.000 0.000 0.284 242 Y C 1.731 177.554 175.900 -0.129 0.000 1.154 242 Y CA 1.639 59.597 58.100 -0.237 0.000 1.149 242 Y CB -0.116 38.079 38.460 -0.442 0.000 0.976 242 Y HN -0.025 nan 8.280 nan 0.000 0.505 243 F N -0.204 119.880 119.950 0.223 0.000 2.407 243 F HA -0.025 4.502 4.527 0.000 0.000 0.299 243 F C 2.558 178.371 175.800 0.022 0.000 1.097 243 F CA 1.353 59.451 58.000 0.163 0.000 1.422 243 F CB -0.725 38.404 39.000 0.216 0.000 1.067 243 F HN 0.008 nan 8.300 nan 0.000 0.539 244 R N 0.509 121.101 120.500 0.152 0.000 2.052 244 R HA -0.078 4.262 4.340 0.000 0.000 0.224 244 R C 1.505 177.798 176.300 -0.011 0.000 1.149 244 R CA 1.682 57.815 56.100 0.055 0.000 0.962 244 R CB -0.230 30.086 30.300 0.028 0.000 0.856 244 R HN 0.060 nan 8.270 nan 0.000 0.433 245 D N 0.031 120.397 120.400 -0.056 0.000 2.323 245 D HA -0.073 4.567 4.640 0.000 0.000 0.209 245 D C 1.610 177.824 176.300 -0.144 0.000 0.973 245 D CA 0.724 54.670 54.000 -0.089 0.000 0.874 245 D CB 0.298 41.048 40.800 -0.083 0.000 0.930 245 D HN 0.317 nan 8.370 nan 0.000 0.521 246 Q N -0.007 119.649 119.800 -0.239 0.000 2.423 246 Q HA 0.124 4.465 4.340 0.000 0.000 0.231 246 Q C 1.096 177.004 176.000 -0.152 0.000 0.894 246 Q CA 0.418 56.038 55.803 -0.305 0.000 0.938 246 Q CB 0.577 28.857 28.738 -0.764 0.000 1.079 246 Q HN 0.373 nan 8.270 nan 0.000 0.552 247 E N -0.105 120.060 120.200 -0.058 0.000 2.526 247 E HA 0.196 4.546 4.350 0.000 0.000 0.208 247 E C 0.450 177.059 176.600 0.016 0.000 0.997 247 E CA 0.197 56.618 56.400 0.035 0.000 0.961 247 E CB 0.777 30.576 29.700 0.167 0.000 1.030 247 E HN 0.410 nan 8.360 nan 0.000 0.483 248 G N 2.300 111.099 108.800 -0.003 0.000 2.212 248 G HA2 -0.358 3.602 3.960 0.000 0.000 0.267 248 G HA3 -0.358 3.602 3.960 0.000 0.000 0.267 248 G C 0.274 175.168 174.900 -0.010 0.000 1.002 248 G CA 0.615 45.709 45.100 -0.010 0.000 0.729 248 G HN 0.272 nan 8.290 nan 0.000 0.517 249 Q N -0.162 119.639 119.800 0.002 0.000 2.471 249 Q HA 0.326 4.666 4.340 0.000 0.000 0.223 249 Q C -0.613 175.373 176.000 -0.025 0.000 1.045 249 Q CA -0.087 55.697 55.803 -0.032 0.000 0.956 249 Q CB 0.523 29.220 28.738 -0.068 0.000 1.249 249 Q HN 0.237 nan 8.270 nan 0.000 0.549 250 D N 1.496 121.863 120.400 -0.054 0.000 2.499 250 D HA 0.204 4.844 4.640 0.000 0.000 0.225 250 D C -0.596 175.673 176.300 -0.053 0.000 1.124 250 D CA -0.130 53.831 54.000 -0.066 0.000 0.938 250 D CB 0.649 41.371 40.800 -0.129 0.000 1.014 250 D HN 0.132 nan 8.370 nan 0.000 0.517 251 V N 1.772 121.683 119.914 -0.004 0.000 2.924 251 V HA 0.188 4.308 4.120 0.000 0.000 0.305 251 V C 0.809 176.888 176.094 -0.025 0.000 1.073 251 V CA -0.573 61.748 62.300 0.035 0.000 1.098 251 V CB 1.288 33.200 31.823 0.148 0.000 1.000 251 V HN 0.347 nan 8.190 nan 0.000 0.484 252 L N 3.865 125.071 121.223 -0.029 0.000 2.307 252 L HA 0.569 4.909 4.340 0.000 0.000 0.284 252 L C -0.872 175.889 176.870 -0.182 0.000 1.023 252 L CA -0.675 54.066 54.840 -0.167 0.000 0.810 252 L CB 1.689 43.614 42.059 -0.225 0.000 1.231 252 L HN 0.529 nan 8.230 nan 0.000 0.423 253 L N 4.370 125.413 121.223 -0.300 0.000 2.372 253 L HA 0.500 4.840 4.340 0.000 0.000 0.273 253 L C -1.279 175.403 176.870 -0.313 0.000 0.989 253 L CA 0.082 54.797 54.840 -0.208 0.000 0.841 253 L CB 1.127 43.103 42.059 -0.138 0.000 1.225 253 L HN 0.201 nan 8.230 nan 0.000 0.414 254 F N 5.960 125.867 119.950 -0.072 0.000 2.405 254 F HA 0.528 5.055 4.527 0.000 0.000 0.355 254 F C 0.170 175.754 175.800 -0.361 0.000 1.121 254 F CA -0.242 57.668 58.000 -0.151 0.000 1.112 254 F CB 1.054 40.045 39.000 -0.015 0.000 1.126 254 F HN 0.251 nan 8.300 nan 0.000 0.481 255 I N 3.414 123.892 120.570 -0.154 0.000 2.411 255 I HA 0.227 4.397 4.170 0.000 0.000 0.284 255 I C -0.968 175.028 176.117 -0.202 0.000 1.012 255 I CA -0.357 60.794 61.300 -0.248 0.000 1.119 255 I CB 1.282 39.139 38.000 -0.239 0.000 1.261 255 I HN 0.410 nan 8.210 nan 0.000 0.448 256 D N 6.085 126.323 120.400 -0.269 0.000 2.462 256 D HA 0.301 4.941 4.640 0.000 0.000 0.245 256 D C -0.992 175.280 176.300 -0.046 0.000 1.122 256 D CA -0.388 53.544 54.000 -0.113 0.000 0.864 256 D CB 1.034 41.802 40.800 -0.053 0.000 1.098 256 D HN 0.620 nan 8.370 nan 0.000 0.541 257 N N 1.878 120.587 118.700 0.014 0.000 2.312 257 N HA 0.261 5.001 4.740 0.000 0.000 0.296 257 N C 0.552 176.099 175.510 0.061 0.000 1.193 257 N CA -0.780 52.288 53.050 0.030 0.000 0.773 257 N CB 1.366 39.902 38.487 0.082 0.000 1.435 257 N HN 0.132 nan 8.380 nan 0.000 0.484 258 I N 0.366 120.955 120.570 0.032 0.000 2.361 258 I HA -0.070 4.100 4.170 0.000 0.000 0.251 258 I C 1.492 177.708 176.117 0.165 0.000 1.133 258 I CA 1.065 62.395 61.300 0.049 0.000 1.413 258 I CB -0.357 37.615 38.000 -0.047 0.000 1.073 258 I HN 0.717 nan 8.210 nan 0.000 0.424 259 F N 1.671 121.681 119.950 0.100 0.000 2.091 259 F HA -0.258 4.269 4.527 0.000 0.000 0.299 259 F C 2.451 178.340 175.800 0.147 0.000 1.103 259 F CA 1.798 59.891 58.000 0.154 0.000 1.228 259 F CB -0.347 38.801 39.000 0.247 0.000 0.984 259 F HN -0.037 nan 8.300 nan 0.000 0.477 260 R N -1.000 119.601 120.500 0.168 0.000 2.328 260 R HA -0.128 4.212 4.340 0.000 0.000 0.207 260 R C 1.954 178.268 176.300 0.023 0.000 1.056 260 R CA 1.052 57.188 56.100 0.059 0.000 1.016 260 R CB -0.654 29.717 30.300 0.118 0.000 0.872 260 R HN 0.438 nan 8.270 nan 0.000 0.471 261 F N 0.903 120.788 119.950 -0.107 0.000 2.219 261 F HA -0.018 4.509 4.527 0.000 0.000 0.294 261 F C 1.973 177.696 175.800 -0.128 0.000 1.086 261 F CA 1.129 59.071 58.000 -0.098 0.000 1.330 261 F CB -0.262 38.685 39.000 -0.088 0.000 1.047 261 F HN -0.232 nan 8.300 nan 0.000 0.495 262 T N 0.837 115.240 114.554 -0.252 0.000 2.674 262 T HA -0.186 4.164 4.350 0.000 0.000 0.265 262 T C 1.865 176.380 174.700 -0.307 0.000 1.039 262 T CA 1.608 63.496 62.100 -0.353 0.000 1.150 262 T CB -0.287 68.402 68.868 -0.299 0.000 0.864 262 T HN 0.219 nan 8.240 nan 0.000 0.427 263 Q N 0.963 120.533 119.800 -0.383 0.000 2.096 263 Q HA -0.099 4.241 4.340 0.000 0.000 0.208 263 Q C 2.671 178.578 176.000 -0.155 0.000 0.993 263 Q CA 1.909 57.569 55.803 -0.238 0.000 0.862 263 Q CB -0.978 27.630 28.738 -0.216 0.000 0.915 263 Q HN 0.590 nan 8.270 nan 0.000 0.416 264 A N 0.506 123.232 122.820 -0.157 0.000 2.019 264 A HA -0.076 4.244 4.320 0.000 0.000 0.219 264 A C 2.314 179.807 177.584 -0.153 0.000 1.164 264 A CA 1.728 53.696 52.037 -0.116 0.000 0.644 264 A CB -0.966 17.987 19.000 -0.079 0.000 0.805 264 A HN 0.463 nan 8.150 nan 0.000 0.449 265 G N -0.797 107.851 108.800 -0.254 0.000 2.433 265 G HA2 -0.197 3.763 3.960 0.000 0.000 0.216 265 G HA3 -0.197 3.763 3.960 0.000 0.000 0.216 265 G C 1.880 176.699 174.900 -0.134 0.000 1.186 265 G CA 1.275 46.220 45.100 -0.258 0.000 0.779 265 G HN 0.465 nan 8.290 nan 0.000 0.543 266 S N 0.746 116.388 115.700 -0.096 0.000 2.359 266 S HA -0.138 4.332 4.470 0.000 0.000 0.223 266 S C 2.320 176.887 174.600 -0.055 0.000 1.039 266 S CA 1.875 60.045 58.200 -0.049 0.000 1.042 266 S CB -0.294 62.879 63.200 -0.045 0.000 0.915 266 S HN 0.653 nan 8.310 nan 0.000 0.439 267 E N 0.302 120.465 120.200 -0.061 0.000 2.110 267 E HA -0.105 4.245 4.350 0.000 0.000 0.193 267 E C 2.061 178.639 176.600 -0.038 0.000 0.988 267 E CA 1.208 57.581 56.400 -0.044 0.000 0.804 267 E CB -0.248 29.429 29.700 -0.037 0.000 0.745 267 E HN 0.297 nan 8.360 nan 0.000 0.458 268 V N 0.974 120.859 119.914 -0.047 0.000 2.237 268 V HA -0.283 3.837 4.120 0.000 0.000 0.245 268 V C 2.461 178.537 176.094 -0.029 0.000 1.046 268 V CA 1.950 64.229 62.300 -0.035 0.000 1.007 268 V CB -0.636 31.163 31.823 -0.041 0.000 0.638 268 V HN 0.287 nan 8.190 nan 0.000 0.445 269 S N -0.301 115.378 115.700 -0.035 0.000 2.374 269 S HA -0.278 4.192 4.470 0.000 0.000 0.227 269 S C 2.135 176.724 174.600 -0.018 0.000 1.037 269 S CA 1.925 60.111 58.200 -0.025 0.000 1.024 269 S CB -0.461 62.724 63.200 -0.025 0.000 0.861 269 S HN 0.637 nan 8.310 nan 0.000 0.456 270 A N 1.563 124.369 122.820 -0.022 0.000 1.865 270 A HA -0.062 4.258 4.320 0.000 0.000 0.217 270 A C 2.181 179.757 177.584 -0.014 0.000 1.191 270 A CA 1.831 53.857 52.037 -0.019 0.000 0.623 270 A CB -1.019 17.966 19.000 -0.025 0.000 0.826 270 A HN 0.602 nan 8.150 nan 0.000 0.444 271 L N -0.716 120.499 121.223 -0.013 0.000 2.187 271 L HA -0.131 4.209 4.340 0.000 0.000 0.213 271 L C 2.030 178.897 176.870 -0.005 0.000 1.100 271 L CA 0.689 55.524 54.840 -0.008 0.000 0.765 271 L CB -0.577 41.478 42.059 -0.007 0.000 0.904 271 L HN 0.323 nan 8.230 nan 0.000 0.437 272 L N 0.329 121.549 121.223 -0.006 0.000 2.610 272 L HA 0.061 4.401 4.340 0.000 0.000 0.232 272 L C 1.355 178.225 176.870 -0.001 0.000 1.149 272 L CA 0.487 55.325 54.840 -0.002 0.000 0.872 272 L CB -0.706 41.351 42.059 -0.003 0.000 0.992 272 L HN 0.541 nan 8.230 nan 0.000 0.447 273 G N 0.769 109.567 108.800 -0.003 0.000 2.160 273 G HA2 -0.277 3.683 3.960 0.000 0.000 0.244 273 G HA3 -0.277 3.683 3.960 0.000 0.000 0.244 273 G C 0.247 175.146 174.900 -0.002 0.000 1.022 273 G CA -0.139 44.960 45.100 -0.002 0.000 0.741 273 G HN 0.404 nan 8.290 nan 0.000 0.508 274 R N -0.806 119.692 120.500 -0.003 0.000 2.532 274 R HA 0.610 4.950 4.340 0.000 0.000 0.272 274 R C 0.685 176.985 176.300 -0.001 0.000 1.032 274 R CA -0.860 55.239 56.100 -0.001 0.000 1.089 274 R CB 1.062 31.361 30.300 -0.002 0.000 1.098 274 R HN 0.251 nan 8.270 nan 0.000 0.526 275 I N 3.733 124.304 120.570 0.002 0.000 2.517 275 I HA 0.078 4.248 4.170 0.000 0.000 0.285 275 I C -1.794 174.327 176.117 0.006 0.000 1.106 275 I CA -1.754 59.548 61.300 0.003 0.000 1.402 275 I CB 0.515 38.518 38.000 0.006 0.000 1.399 275 I HN 0.242 nan 8.210 nan 0.000 0.535 276 P HA 0.058 nan 4.420 nan 0.000 0.270 276 P C -0.437 176.877 177.300 0.023 0.000 1.227 276 P CA -0.241 62.864 63.100 0.008 0.000 0.788 276 P CB 0.570 32.263 31.700 -0.011 0.000 0.926 277 S N -0.007 115.721 115.700 0.047 0.000 2.753 277 S HA 0.747 5.217 4.470 0.000 0.000 0.302 277 S C -0.086 174.561 174.600 0.078 0.000 1.104 277 S CA -0.729 57.507 58.200 0.061 0.000 0.968 277 S CB 0.143 63.383 63.200 0.067 0.000 1.278 277 S HN 0.562 nan 8.310 nan 0.000 0.549 278 A N 0.345 123.220 122.820 0.091 0.000 2.609 278 A HA 0.387 4.707 4.320 0.000 0.000 0.232 278 A C 1.145 178.818 177.584 0.149 0.000 1.041 278 A CA 0.222 52.319 52.037 0.101 0.000 0.753 278 A CB -1.223 17.834 19.000 0.096 0.000 0.966 278 A HN 1.886 nan 8.150 nan 0.000 0.510 279 V N 1.098 121.073 119.914 0.101 0.000 3.292 279 V HA -0.329 3.791 4.120 0.000 0.000 0.184 279 V C 1.933 177.973 176.094 -0.090 0.000 0.459 279 V CA 1.813 64.157 62.300 0.073 0.000 1.088 279 V CB -2.547 29.414 31.823 0.229 0.000 1.239 279 V HN 2.959 nan 8.190 nan 0.000 1.148 280 G N -2.748 106.012 108.800 -0.068 0.000 2.205 280 G HA2 -0.353 3.607 3.960 0.000 0.000 0.261 280 G HA3 -0.353 3.607 3.960 0.000 0.000 0.261 280 G C -0.071 174.710 174.900 -0.198 0.000 0.980 280 G CA 0.407 45.413 45.100 -0.156 0.000 0.632 280 G HN 0.868 nan 8.290 nan 0.000 0.533 281 Y N 1.986 122.292 120.300 0.010 0.000 2.330 281 Y HA 0.406 4.956 4.550 0.000 0.000 0.341 281 Y C 1.450 177.338 175.900 -0.021 0.000 1.278 281 Y CA -0.002 58.091 58.100 -0.012 0.000 1.453 281 Y CB 0.380 38.835 38.460 -0.008 0.000 1.342 281 Y HN 0.421 nan 8.280 nan 0.000 0.590 282 Q N 2.350 122.231 119.800 0.135 0.000 2.395 282 Q HA 0.045 4.385 4.340 0.000 0.000 0.271 282 Q C -2.257 173.775 176.000 0.054 0.000 1.026 282 Q CA -1.487 54.347 55.803 0.052 0.000 0.900 282 Q CB 0.555 29.297 28.738 0.008 0.000 1.266 282 Q HN 0.369 nan 8.270 nan 0.000 0.430 283 P HA -0.147 nan 4.420 nan 0.000 0.216 283 P C 0.931 178.243 177.300 0.019 0.000 1.150 283 P CA 2.010 65.126 63.100 0.026 0.000 0.843 283 P CB -0.186 31.524 31.700 0.015 0.000 0.787 284 T N -3.810 110.749 114.554 0.008 0.000 3.287 284 T HA 0.201 4.551 4.350 0.000 0.000 0.253 284 T C 1.232 175.927 174.700 -0.008 0.000 0.975 284 T CA -0.423 61.677 62.100 0.001 0.000 0.912 284 T CB -0.984 67.878 68.868 -0.010 0.000 1.071 284 T HN -0.155 nan 8.240 nan 0.000 0.578 285 L N 1.913 123.135 121.223 -0.002 0.000 1.956 285 L HA 0.059 4.399 4.340 0.000 0.000 0.216 285 L C 2.762 179.627 176.870 -0.009 0.000 1.073 285 L CA 2.403 57.227 54.840 -0.025 0.000 0.762 285 L CB -1.170 40.869 42.059 -0.033 0.000 0.889 285 L HN 0.377 nan 8.230 nan 0.000 0.433 286 A N -1.229 121.602 122.820 0.017 0.000 1.917 286 A HA -0.274 4.046 4.320 0.000 0.000 0.219 286 A C 2.365 179.986 177.584 0.063 0.000 1.182 286 A CA 2.902 54.972 52.037 0.054 0.000 0.633 286 A CB -1.515 17.519 19.000 0.057 0.000 0.819 286 A HN 0.708 nan 8.150 nan 0.000 0.448 287 T N -2.481 112.097 114.554 0.041 0.000 2.770 287 T HA -0.129 4.221 4.350 0.000 0.000 0.263 287 T C 1.429 176.153 174.700 0.040 0.000 1.039 287 T CA 1.394 63.519 62.100 0.042 0.000 1.142 287 T CB -0.600 68.285 68.868 0.028 0.000 0.868 287 T HN 0.328 nan 8.240 nan 0.000 0.435 288 D N 0.882 121.291 120.400 0.016 0.000 2.172 288 D HA -0.098 4.542 4.640 0.000 0.000 0.196 288 D C 1.867 178.225 176.300 0.097 0.000 0.999 288 D CA 1.258 55.264 54.000 0.010 0.000 0.856 288 D CB -0.361 40.381 40.800 -0.097 0.000 0.934 288 D HN 0.385 nan 8.370 nan 0.000 0.453 289 M N -0.023 119.625 119.600 0.081 0.000 2.216 289 M HA 0.128 4.608 4.480 0.000 0.000 0.264 289 M C 2.004 178.258 176.300 -0.075 0.000 1.080 289 M CA 1.702 57.054 55.300 0.087 0.000 1.153 289 M CB -0.545 32.081 32.600 0.043 0.000 1.356 289 M HN -0.043 nan 8.290 nan 0.000 0.432 290 G N -1.108 107.688 108.800 -0.007 0.000 2.422 290 G HA2 -0.215 3.745 3.960 0.000 0.000 0.218 290 G HA3 -0.215 3.745 3.960 0.000 0.000 0.218 290 G C 1.431 176.337 174.900 0.010 0.000 1.146 290 G CA 1.496 46.611 45.100 0.026 0.000 0.769 290 G HN 0.600 nan 8.290 nan 0.000 0.547 291 T N -2.042 112.531 114.554 0.033 0.000 3.023 291 T HA 0.066 4.416 4.350 0.000 0.000 0.266 291 T C 2.138 176.849 174.700 0.019 0.000 1.093 291 T CA 1.217 63.341 62.100 0.039 0.000 1.129 291 T CB -0.003 68.903 68.868 0.063 0.000 0.899 291 T HN 0.159 nan 8.240 nan 0.000 0.491 292 M N 0.318 119.917 119.600 -0.002 0.000 2.299 292 M HA 0.093 4.573 4.480 0.000 0.000 0.264 292 M C 2.068 178.277 176.300 -0.150 0.000 1.095 292 M CA 1.205 56.461 55.300 -0.074 0.000 1.165 292 M CB -0.551 31.977 32.600 -0.120 0.000 1.349 292 M HN 0.071 nan 8.290 nan 0.000 0.446 293 Q N 1.127 120.797 119.800 -0.217 0.000 2.096 293 Q HA -0.152 4.188 4.340 0.000 0.000 0.204 293 Q C 1.859 177.797 176.000 -0.103 0.000 0.982 293 Q CA 1.552 57.211 55.803 -0.240 0.000 0.850 293 Q CB -0.585 27.840 28.738 -0.520 0.000 0.901 293 Q HN 0.596 nan 8.270 nan 0.000 0.422 294 E N 0.397 120.570 120.200 -0.046 0.000 2.110 294 E HA -0.147 4.203 4.350 0.000 0.000 0.193 294 E C 1.910 178.501 176.600 -0.014 0.000 0.988 294 E CA 0.532 56.938 56.400 0.010 0.000 0.804 294 E CB -0.167 29.558 29.700 0.043 0.000 0.745 294 E HN 0.372 nan 8.360 nan 0.000 0.458 295 R N 0.455 120.936 120.500 -0.031 0.000 2.261 295 R HA -0.048 4.292 4.340 0.000 0.000 0.236 295 R C 0.907 177.178 176.300 -0.048 0.000 1.141 295 R CA 0.526 56.605 56.100 -0.036 0.000 1.001 295 R CB -0.260 30.015 30.300 -0.043 0.000 0.866 295 R HN 0.146 nan 8.270 nan 0.000 0.468 296 I N 2.206 122.739 120.570 -0.061 0.000 2.276 296 I HA 0.073 4.243 4.170 0.000 0.000 0.290 296 I C -0.070 176.017 176.117 -0.051 0.000 1.109 296 I CA -0.065 61.194 61.300 -0.068 0.000 1.229 296 I CB 0.514 38.455 38.000 -0.099 0.000 1.452 296 I HN 0.092 nan 8.210 nan 0.000 0.497 297 T N -0.147 114.379 114.554 -0.046 0.000 2.731 297 T HA 0.323 4.673 4.350 0.000 0.000 0.300 297 T C -0.262 174.410 174.700 -0.047 0.000 1.283 297 T CA -0.861 61.212 62.100 -0.044 0.000 1.005 297 T CB 1.510 70.354 68.868 -0.040 0.000 1.420 297 T HN 0.131 nan 8.240 nan 0.000 0.503 298 T N 2.718 117.242 114.554 -0.050 0.000 2.749 298 T HA 0.582 4.932 4.350 0.000 0.000 0.295 298 T C 0.751 175.420 174.700 -0.052 0.000 0.936 298 T CA -0.367 61.702 62.100 -0.051 0.000 1.060 298 T CB 0.483 69.319 68.868 -0.054 0.000 0.904 298 T HN 0.951 nan 8.240 nan 0.000 0.500 299 T N 0.638 115.165 114.554 -0.045 0.000 2.844 299 T HA 0.456 4.806 4.350 0.000 0.000 0.274 299 T C 1.227 175.902 174.700 -0.041 0.000 0.991 299 T CA -0.963 61.110 62.100 -0.044 0.000 0.983 299 T CB 1.166 70.012 68.868 -0.036 0.000 1.310 299 T HN 0.363 nan 8.240 nan 0.000 0.596 300 K N 0.142 120.520 120.400 -0.037 0.000 2.155 300 K HA 0.048 4.368 4.320 0.000 0.000 0.203 300 K C 2.113 178.696 176.600 -0.029 0.000 1.052 300 K CA 1.021 57.289 56.287 -0.032 0.000 0.948 300 K CB -0.051 32.433 32.500 -0.028 0.000 0.728 300 K HN 0.518 nan 8.250 nan 0.000 0.448 301 K N -0.225 120.157 120.400 -0.029 0.000 2.361 301 K HA 0.113 4.434 4.320 0.000 0.000 0.196 301 K C 0.964 177.548 176.600 -0.026 0.000 1.039 301 K CA 0.519 56.789 56.287 -0.027 0.000 1.001 301 K CB 0.764 33.245 32.500 -0.031 0.000 0.795 301 K HN 0.219 nan 8.250 nan 0.000 0.495 302 G N 0.510 109.293 108.800 -0.028 0.000 2.452 302 G HA2 0.209 4.169 3.960 0.000 0.000 0.224 302 G HA3 0.209 4.169 3.960 0.000 0.000 0.224 302 G C -1.533 173.346 174.900 -0.034 0.000 1.208 302 G CA -0.140 44.943 45.100 -0.029 0.000 0.946 302 G HN 0.156 nan 8.290 nan 0.000 0.481 303 S N -1.395 114.285 115.700 -0.032 0.000 2.567 303 S HA 0.704 5.174 4.470 0.000 0.000 0.270 303 S C -1.604 172.976 174.600 -0.033 0.000 1.152 303 S CA -0.748 57.428 58.200 -0.039 0.000 0.835 303 S CB 1.378 64.545 63.200 -0.055 0.000 1.115 303 S HN 1.054 nan 8.310 nan 0.000 0.459 304 I N 2.045 122.590 120.570 -0.041 0.000 2.389 304 I HA 0.422 4.592 4.170 0.000 0.000 0.288 304 I C -0.514 175.555 176.117 -0.080 0.000 0.999 304 I CA -0.432 60.840 61.300 -0.048 0.000 1.129 304 I CB 2.133 40.108 38.000 -0.042 0.000 1.288 304 I HN 0.664 nan 8.210 nan 0.000 0.444 305 T N 3.852 118.344 114.554 -0.103 0.000 2.779 305 T HA 0.304 4.654 4.350 0.000 0.000 0.280 305 T C -0.250 174.330 174.700 -0.200 0.000 0.987 305 T CA -0.501 61.521 62.100 -0.131 0.000 0.966 305 T CB 1.563 70.369 68.868 -0.103 0.000 0.933 305 T HN 0.455 nan 8.240 nan 0.000 0.442 306 S N 2.226 117.796 115.700 -0.216 0.000 2.456 306 S HA 0.560 5.030 4.470 0.000 0.000 0.316 306 S C -0.402 174.019 174.600 -0.298 0.000 1.089 306 S CA -0.584 57.459 58.200 -0.262 0.000 1.101 306 S CB 0.615 63.688 63.200 -0.212 0.000 0.995 306 S HN 0.499 nan 8.310 nan 0.000 0.468 307 V N 6.831 126.538 119.914 -0.345 0.000 2.333 307 V HA 0.415 4.535 4.120 0.000 0.000 0.274 307 V C -0.382 175.661 176.094 -0.086 0.000 1.028 307 V CA -0.449 61.718 62.300 -0.221 0.000 0.851 307 V CB 1.157 32.915 31.823 -0.108 0.000 1.000 307 V HN 0.871 nan 8.190 nan 0.000 0.456 308 Q N 4.451 124.171 119.800 -0.134 0.000 2.310 308 Q HA 0.802 5.142 4.340 0.000 0.000 0.270 308 Q C -0.496 175.413 176.000 -0.153 0.000 1.025 308 Q CA -0.754 54.968 55.803 -0.135 0.000 0.772 308 Q CB 2.248 30.875 28.738 -0.185 0.000 1.253 308 Q HN 0.648 nan 8.270 nan 0.000 0.450 309 A N 4.498 127.266 122.820 -0.087 0.000 2.488 309 A HA 0.444 4.764 4.320 0.000 0.000 0.249 309 A C -0.338 177.177 177.584 -0.116 0.000 1.083 309 A CA -0.173 51.813 52.037 -0.085 0.000 0.768 309 A CB 0.060 19.063 19.000 0.004 0.000 1.017 309 A HN 0.796 nan 8.150 nan 0.000 0.496 310 I N 2.391 122.826 120.570 -0.226 0.000 2.436 310 I HA 0.237 4.407 4.170 0.000 0.000 0.289 310 I C -0.868 175.263 176.117 0.023 0.000 1.010 310 I CA -0.523 60.668 61.300 -0.181 0.000 1.098 310 I CB 1.619 39.286 38.000 -0.556 0.000 1.266 310 I HN 0.763 nan 8.210 nan 0.000 0.434 311 Y N 7.081 127.394 120.300 0.022 0.000 2.320 311 Y HA 0.530 5.080 4.550 0.000 0.000 0.334 311 Y C -0.738 175.154 175.900 -0.013 0.000 1.055 311 Y CA -0.669 57.415 58.100 -0.027 0.000 1.143 311 Y CB 1.364 39.728 38.460 -0.160 0.000 1.193 311 Y HN 0.236 nan 8.280 nan 0.000 0.477 312 V N 9.392 128.963 119.914 -0.573 0.000 2.318 312 V HA 0.305 4.425 4.120 0.000 0.000 0.271 312 V C -2.143 173.451 176.094 -0.834 0.000 1.030 312 V CA -2.118 59.935 62.300 -0.412 0.000 0.844 312 V CB 0.702 32.470 31.823 -0.093 0.000 1.015 312 V HN 0.729 nan 8.190 nan 0.000 0.460 313 P HA 0.080 nan 4.420 nan 0.000 0.262 313 P C 0.617 177.820 177.300 -0.161 0.000 1.182 313 P CA 0.720 63.608 63.100 -0.354 0.000 0.761 313 P CB 0.569 32.299 31.700 0.050 0.000 0.795 314 A N 3.759 126.521 122.820 -0.097 0.000 2.798 314 A HA -0.264 4.056 4.320 0.000 0.000 0.282 314 A C 0.895 178.448 177.584 -0.053 0.000 1.464 314 A CA 1.263 53.281 52.037 -0.031 0.000 0.844 314 A CB -2.483 16.527 19.000 0.016 0.000 1.006 314 A HN 0.669 nan 8.150 nan 0.000 0.577 315 D N -1.732 118.600 120.400 -0.114 0.000 2.911 315 D HA -0.205 4.435 4.640 0.000 0.000 0.227 315 D C -0.182 176.087 176.300 -0.052 0.000 1.164 315 D CA 1.890 55.839 54.000 -0.086 0.000 0.782 315 D CB -1.145 39.626 40.800 -0.049 0.000 1.094 315 D HN 0.937 nan 8.370 nan 0.000 0.425 316 D N 0.345 120.723 120.400 -0.038 0.000 2.467 316 D HA 0.260 4.900 4.640 0.000 0.000 0.220 316 D C 1.573 177.886 176.300 0.021 0.000 1.103 316 D CA -0.490 53.508 54.000 -0.003 0.000 0.886 316 D CB 0.275 41.088 40.800 0.021 0.000 1.025 316 D HN 0.061 nan 8.370 nan 0.000 0.514 317 L N 2.181 123.406 121.223 0.003 0.000 2.187 317 L HA -0.148 4.192 4.340 0.000 0.000 0.213 317 L C 2.225 179.107 176.870 0.020 0.000 1.100 317 L CA 1.545 56.397 54.840 0.019 0.000 0.765 317 L CB -0.572 41.425 42.059 -0.104 0.000 0.904 317 L HN 0.489 nan 8.230 nan 0.000 0.437 318 T N -4.201 110.356 114.554 0.005 0.000 3.194 318 T HA -0.043 4.308 4.350 0.000 0.000 0.251 318 T C 0.451 175.186 174.700 0.058 0.000 1.132 318 T CA -0.349 61.762 62.100 0.018 0.000 1.028 318 T CB -0.549 68.320 68.868 0.001 0.000 0.976 318 T HN 0.171 nan 8.240 nan 0.000 0.535 319 D N 2.090 122.543 120.400 0.089 0.000 2.414 319 D HA 0.171 4.811 4.640 0.000 0.000 0.242 319 D C -1.309 175.043 176.300 0.086 0.000 1.129 319 D CA -1.838 52.240 54.000 0.129 0.000 0.885 319 D CB 1.219 42.127 40.800 0.180 0.000 1.198 319 D HN -0.050 nan 8.370 nan 0.000 0.437 320 P HA -0.254 nan 4.420 nan 0.000 0.217 320 P C 0.657 177.810 177.300 -0.245 0.000 1.151 320 P CA 1.889 64.929 63.100 -0.099 0.000 0.849 320 P CB 0.043 31.670 31.700 -0.122 0.000 0.787 321 A N 0.072 122.666 122.820 -0.376 0.000 1.835 321 A HA -0.118 4.202 4.320 0.000 0.000 0.215 321 A C 0.034 177.630 177.584 0.019 0.000 1.199 321 A CA 2.309 54.185 52.037 -0.268 0.000 0.615 321 A CB -2.251 16.702 19.000 -0.079 0.000 0.838 321 A HN 0.213 nan 8.150 nan 0.000 0.444 322 P HA -0.171 nan 4.420 nan 0.000 0.215 322 P C 1.644 179.166 177.300 0.371 0.000 1.157 322 P CA 2.204 65.460 63.100 0.259 0.000 0.868 322 P CB -0.262 31.655 31.700 0.362 0.000 0.788 323 A N -0.267 122.720 122.820 0.277 0.000 1.908 323 A HA -0.165 4.155 4.320 0.000 0.000 0.218 323 A C 2.400 180.109 177.584 0.207 0.000 1.181 323 A CA 2.575 54.765 52.037 0.255 0.000 0.627 323 A CB -1.983 17.086 19.000 0.114 0.000 0.818 323 A HN 0.194 nan 8.150 nan 0.000 0.445 324 T N -0.109 114.513 114.554 0.114 0.000 2.652 324 T HA -0.155 4.195 4.350 0.000 0.000 0.267 324 T C 2.015 176.817 174.700 0.169 0.000 1.039 324 T CA 2.115 64.279 62.100 0.107 0.000 1.153 324 T CB -0.679 68.207 68.868 0.029 0.000 0.863 324 T HN 0.564 nan 8.240 nan 0.000 0.428 325 T N 1.505 116.127 114.554 0.113 0.000 2.759 325 T HA -0.051 4.299 4.350 0.000 0.000 0.269 325 T C 1.577 176.304 174.700 0.045 0.000 1.042 325 T CA 0.963 63.093 62.100 0.050 0.000 1.140 325 T CB -0.557 68.260 68.868 -0.086 0.000 0.864 325 T HN 0.283 nan 8.240 nan 0.000 0.455 326 F N 1.766 121.784 119.950 0.115 0.000 2.202 326 F HA -0.051 4.476 4.527 0.000 0.000 0.301 326 F C 2.573 178.400 175.800 0.044 0.000 1.082 326 F CA 0.634 58.689 58.000 0.091 0.000 1.313 326 F CB -0.780 38.265 39.000 0.075 0.000 1.024 326 F HN 0.136 nan 8.300 nan 0.000 0.495 327 A N -1.054 121.863 122.820 0.163 0.000 2.042 327 A HA -0.232 4.088 4.320 0.000 0.000 0.222 327 A C 1.643 179.079 177.584 -0.246 0.000 1.167 327 A CA 2.081 54.082 52.037 -0.059 0.000 0.649 327 A CB -0.816 18.093 19.000 -0.151 0.000 0.809 327 A HN 0.566 nan 8.150 nan 0.000 0.457 328 H N -2.154 116.931 119.070 0.026 0.000 2.893 328 H HA 0.349 4.905 4.556 0.000 0.000 0.270 328 H C -0.202 175.108 175.328 -0.031 0.000 1.095 328 H CA -0.342 55.700 56.048 -0.009 0.000 1.186 328 H CB 0.224 29.966 29.762 -0.033 0.000 1.562 328 H HN 0.308 nan 8.280 nan 0.000 0.536 329 L N 1.451 122.718 121.223 0.073 0.000 2.375 329 L HA 0.151 4.491 4.340 0.000 0.000 0.271 329 L C 0.783 177.678 176.870 0.041 0.000 1.107 329 L CA -0.043 54.809 54.840 0.020 0.000 0.806 329 L CB 1.284 43.338 42.059 -0.008 0.000 1.146 329 L HN 0.098 nan 8.230 nan 0.000 0.447 330 D N 1.150 121.555 120.400 0.008 0.000 2.454 330 D HA 0.280 4.920 4.640 0.000 0.000 0.219 330 D C 0.218 176.540 176.300 0.037 0.000 1.081 330 D CA 0.396 54.407 54.000 0.018 0.000 0.867 330 D CB 1.608 42.404 40.800 -0.006 0.000 1.054 330 D HN 0.566 nan 8.370 nan 0.000 0.500 331 A N 0.564 123.399 122.820 0.024 0.000 2.599 331 A HA 0.602 4.922 4.320 0.000 0.000 0.290 331 A C -1.038 176.586 177.584 0.066 0.000 1.101 331 A CA -0.551 51.524 52.037 0.062 0.000 0.674 331 A CB 1.685 20.729 19.000 0.073 0.000 1.277 331 A HN -0.030 nan 8.150 nan 0.000 0.419 332 T N -1.378 113.267 114.554 0.152 0.000 2.921 332 T HA 0.679 5.029 4.350 0.000 0.000 0.297 332 T C -0.774 174.077 174.700 0.251 0.000 1.013 332 T CA -0.395 61.850 62.100 0.242 0.000 0.990 332 T CB 1.421 70.554 68.868 0.442 0.000 1.023 332 T HN 0.671 nan 8.240 nan 0.000 0.447 333 T N 3.100 117.799 114.554 0.241 0.000 2.770 333 T HA 0.492 4.842 4.350 0.000 0.000 0.297 333 T C -0.033 174.836 174.700 0.281 0.000 0.997 333 T CA -0.532 61.732 62.100 0.273 0.000 0.949 333 T CB 0.820 69.877 68.868 0.315 0.000 0.941 333 T HN 0.651 nan 8.240 nan 0.000 0.457 334 V N 5.814 125.883 119.914 0.257 0.000 2.348 334 V HA 0.330 4.450 4.120 0.000 0.000 0.270 334 V C 0.179 176.386 176.094 0.187 0.000 1.037 334 V CA -0.729 61.721 62.300 0.250 0.000 0.872 334 V CB 0.769 32.700 31.823 0.180 0.000 1.002 334 V HN 0.755 nan 8.190 nan 0.000 0.464 335 L N 4.574 125.909 121.223 0.187 0.000 2.276 335 L HA 0.534 4.874 4.340 0.000 0.000 0.286 335 L C 0.386 177.333 176.870 0.128 0.000 1.061 335 L CA 0.231 55.163 54.840 0.152 0.000 0.807 335 L CB 1.662 43.812 42.059 0.152 0.000 1.177 335 L HN 0.723 nan 8.230 nan 0.000 0.429 336 S N 3.278 119.041 115.700 0.105 0.000 2.532 336 S HA 0.390 4.860 4.470 0.000 0.000 0.299 336 S C 0.750 175.395 174.600 0.074 0.000 1.105 336 S CA -0.764 57.486 58.200 0.083 0.000 1.018 336 S CB 1.893 65.133 63.200 0.066 0.000 1.021 336 S HN 0.696 nan 8.310 nan 0.000 0.483 337 R N 2.531 123.071 120.500 0.067 0.000 2.096 337 R HA -0.066 4.274 4.340 0.000 0.000 0.235 337 R C 2.466 178.793 176.300 0.045 0.000 1.127 337 R CA 1.741 57.877 56.100 0.060 0.000 0.968 337 R CB -0.633 29.699 30.300 0.053 0.000 0.861 337 R HN 0.820 nan 8.270 nan 0.000 0.440 338 A N 1.313 124.153 122.820 0.034 0.000 1.892 338 A HA -0.187 4.133 4.320 0.000 0.000 0.218 338 A C 2.071 179.662 177.584 0.012 0.000 1.188 338 A CA 1.404 53.452 52.037 0.018 0.000 0.631 338 A CB -0.499 18.508 19.000 0.013 0.000 0.822 338 A HN 0.161 nan 8.150 nan 0.000 0.447 339 I N -0.358 120.223 120.570 0.019 0.000 2.252 339 I HA -0.231 3.939 4.170 0.000 0.000 0.245 339 I C 3.004 179.107 176.117 -0.024 0.000 1.102 339 I CA 1.329 62.631 61.300 0.003 0.000 1.385 339 I CB -1.425 36.589 38.000 0.023 0.000 1.064 339 I HN 0.385 nan 8.210 nan 0.000 0.414 340 A N 1.007 123.844 122.820 0.028 0.000 1.892 340 A HA -0.256 4.064 4.320 0.000 0.000 0.218 340 A C 2.206 179.793 177.584 0.005 0.000 1.188 340 A CA 1.956 54.033 52.037 0.068 0.000 0.631 340 A CB -0.800 18.298 19.000 0.164 0.000 0.822 340 A HN 0.480 nan 8.150 nan 0.000 0.447 341 E N -0.414 119.796 120.200 0.016 0.000 2.209 341 E HA -0.128 4.222 4.350 0.000 0.000 0.196 341 E C 1.198 177.776 176.600 -0.037 0.000 0.993 341 E CA 0.865 57.268 56.400 0.005 0.000 0.819 341 E CB -0.260 29.446 29.700 0.010 0.000 0.745 341 E HN 0.639 nan 8.360 nan 0.000 0.477 342 L N -0.069 121.113 121.223 -0.067 0.000 2.645 342 L HA 0.141 4.481 4.340 0.000 0.000 0.234 342 L C 1.309 178.077 176.870 -0.169 0.000 1.165 342 L CA 0.172 54.957 54.840 -0.092 0.000 0.944 342 L CB -0.319 41.702 42.059 -0.062 0.000 1.149 342 L HN 0.258 nan 8.230 nan 0.000 0.446 343 G N 0.971 109.620 108.800 -0.252 0.000 2.186 343 G HA2 -0.328 3.632 3.960 0.000 0.000 0.266 343 G HA3 -0.328 3.632 3.960 0.000 0.000 0.266 343 G C 0.369 174.807 174.900 -0.771 0.000 0.982 343 G CA 0.076 44.887 45.100 -0.482 0.000 0.670 343 G HN 0.396 nan 8.290 nan 0.000 0.533 344 I N 0.824 121.103 120.570 -0.486 0.000 2.436 344 I HA 0.318 4.488 4.170 0.000 0.000 0.289 344 I C -0.135 175.725 176.117 -0.428 0.000 1.083 344 I CA -0.317 60.809 61.300 -0.289 0.000 1.372 344 I CB 0.238 38.189 38.000 -0.082 0.000 1.408 344 I HN 0.038 nan 8.210 nan 0.000 0.516 345 Y N 7.775 128.054 120.300 -0.034 0.000 2.361 345 Y HA 0.433 4.983 4.550 0.000 0.000 0.337 345 Y C -2.269 173.456 175.900 -0.292 0.000 0.965 345 Y CA -3.533 54.461 58.100 -0.177 0.000 1.091 345 Y CB 1.108 39.430 38.460 -0.229 0.000 1.182 345 Y HN 0.393 nan 8.280 nan 0.000 0.450 346 P HA 0.166 nan 4.420 nan 0.000 0.275 346 P C -0.196 177.150 177.300 0.077 0.000 1.228 346 P CA -0.352 62.710 63.100 -0.063 0.000 0.786 346 P CB 1.149 32.881 31.700 0.054 0.000 0.927 347 A N 3.053 125.954 122.820 0.136 0.000 2.810 347 A HA 0.177 4.497 4.320 0.000 0.000 0.247 347 A C 0.455 178.103 177.584 0.107 0.000 1.576 347 A CA -0.115 51.992 52.037 0.116 0.000 1.294 347 A CB -1.284 17.807 19.000 0.151 0.000 0.976 347 A HN 0.374 nan 8.150 nan 0.000 0.631 348 V N 1.524 121.500 119.914 0.102 0.000 2.432 348 V HA 0.070 4.190 4.120 0.000 0.000 0.271 348 V C 0.242 176.385 176.094 0.082 0.000 1.046 348 V CA -0.559 61.806 62.300 0.110 0.000 0.945 348 V CB 1.330 33.226 31.823 0.122 0.000 0.992 348 V HN 0.616 nan 8.190 nan 0.000 0.471 349 D N 8.588 129.038 120.400 0.084 0.000 2.338 349 D HA 0.149 4.789 4.640 0.000 0.000 0.255 349 D C -1.411 174.922 176.300 0.055 0.000 1.237 349 D CA -1.671 52.367 54.000 0.062 0.000 0.883 349 D CB 1.988 42.824 40.800 0.058 0.000 1.087 349 D HN 0.278 nan 8.370 nan 0.000 0.485 350 P HA -0.065 nan 4.420 nan 0.000 0.226 350 P C 1.360 178.670 177.300 0.017 0.000 1.153 350 P CA 0.604 63.717 63.100 0.021 0.000 0.777 350 P CB 0.468 32.173 31.700 0.008 0.000 0.794 351 L N -1.436 119.799 121.223 0.021 0.000 2.556 351 L HA 0.133 4.473 4.340 0.000 0.000 0.226 351 L C 1.684 178.561 176.870 0.013 0.000 1.089 351 L CA 0.559 55.406 54.840 0.012 0.000 0.864 351 L CB -0.401 41.662 42.059 0.007 0.000 1.067 351 L HN -0.123 nan 8.230 nan 0.000 0.477 352 D N 0.162 120.575 120.400 0.022 0.000 2.290 352 D HA 0.004 4.644 4.640 0.000 0.000 0.224 352 D C 0.893 177.219 176.300 0.043 0.000 0.967 352 D CA 0.453 54.463 54.000 0.017 0.000 0.893 352 D CB 0.094 40.901 40.800 0.011 0.000 1.037 352 D HN -0.019 nan 8.370 nan 0.000 0.477 353 S N 0.658 116.404 115.700 0.077 0.000 2.593 353 S HA 0.231 4.701 4.470 0.000 0.000 0.300 353 S C 0.603 175.261 174.600 0.097 0.000 1.267 353 S CA 0.203 58.474 58.200 0.117 0.000 1.065 353 S CB 0.343 63.622 63.200 0.132 0.000 0.807 353 S HN 0.355 nan 8.310 nan 0.000 0.499 354 T N -0.613 114.011 114.554 0.117 0.000 2.865 354 T HA 0.779 5.129 4.350 0.000 0.000 0.294 354 T C -0.633 174.132 174.700 0.108 0.000 1.119 354 T CA -0.894 61.261 62.100 0.092 0.000 1.007 354 T CB 1.971 70.883 68.868 0.073 0.000 1.225 354 T HN 0.455 nan 8.240 nan 0.000 0.515 355 S N -1.343 114.407 115.700 0.085 0.000 2.536 355 S HA 0.440 4.910 4.470 0.000 0.000 0.271 355 S C 0.635 175.269 174.600 0.057 0.000 1.134 355 S CA -0.830 57.418 58.200 0.081 0.000 0.897 355 S CB 1.806 65.058 63.200 0.086 0.000 1.094 355 S HN 0.776 nan 8.310 nan 0.000 0.473 356 R N 2.009 122.538 120.500 0.048 0.000 2.062 356 R HA 0.075 4.415 4.340 0.000 0.000 0.229 356 R C 1.808 178.117 176.300 0.015 0.000 1.128 356 R CA 1.785 57.904 56.100 0.031 0.000 0.960 356 R CB -0.551 29.764 30.300 0.025 0.000 0.855 356 R HN 0.828 nan 8.270 nan 0.000 0.432 357 I N -0.897 119.679 120.570 0.010 0.000 3.441 357 I HA -0.014 4.156 4.170 0.000 0.000 0.316 357 I C 0.520 176.621 176.117 -0.026 0.000 1.214 357 I CA 0.508 61.802 61.300 -0.010 0.000 1.226 357 I CB -0.059 37.937 38.000 -0.007 0.000 0.993 357 I HN 0.036 nan 8.210 nan 0.000 0.563 358 M N 2.422 122.023 119.600 0.002 0.000 3.652 358 M HA 0.302 4.782 4.480 0.000 0.000 0.208 358 M C -0.897 175.451 176.300 0.081 0.000 1.307 358 M CA 0.194 55.512 55.300 0.029 0.000 1.524 358 M CB -1.195 31.443 32.600 0.063 0.000 1.067 358 M HN 0.335 nan 8.290 nan 0.000 0.590 359 D N 0.252 120.627 120.400 -0.042 0.000 2.646 359 D HA 0.440 5.080 4.640 0.000 0.000 0.245 359 D C -1.886 174.260 176.300 -0.256 0.000 1.099 359 D CA -1.595 52.284 54.000 -0.203 0.000 0.849 359 D CB 2.434 43.147 40.800 -0.144 0.000 1.448 359 D HN 0.029 nan 8.370 nan 0.000 0.489 360 P HA -0.128 nan 4.420 nan 0.000 0.217 360 P C 0.399 177.611 177.300 -0.147 0.000 1.148 360 P CA 0.984 63.906 63.100 -0.298 0.000 0.828 360 P CB 0.189 31.651 31.700 -0.396 0.000 0.783 361 N N -1.303 117.303 118.700 -0.157 0.000 2.520 361 N HA -0.021 4.719 4.740 0.000 0.000 0.185 361 N C 1.506 176.979 175.510 -0.062 0.000 1.068 361 N CA 0.822 53.818 53.050 -0.091 0.000 0.911 361 N CB -0.359 38.076 38.487 -0.086 0.000 0.961 361 N HN 0.274 nan 8.380 nan 0.000 0.446 362 I N -1.637 118.894 120.570 -0.066 0.000 4.033 362 I HA 0.013 4.183 4.170 0.000 0.000 0.296 362 I C 1.063 177.166 176.117 -0.023 0.000 1.210 362 I CA 0.265 61.540 61.300 -0.041 0.000 1.341 362 I CB 0.416 38.388 38.000 -0.046 0.000 1.369 362 I HN -0.065 nan 8.210 nan 0.000 0.453 363 V N -1.033 118.857 119.914 -0.039 0.000 3.542 363 V HA 0.612 4.732 4.120 0.000 0.000 0.296 363 V C 0.773 176.913 176.094 0.076 0.000 1.364 363 V CA 0.028 62.321 62.300 -0.012 0.000 1.118 363 V CB -0.877 30.802 31.823 -0.240 0.000 0.972 363 V HN 0.459 nan 8.190 nan 0.000 0.430 364 G N 0.311 109.136 108.800 0.043 0.000 2.758 364 G HA2 -0.187 3.773 3.960 0.000 0.000 0.686 364 G HA3 -0.187 3.773 3.960 0.000 0.000 0.686 364 G C 0.356 175.316 174.900 0.099 0.000 1.389 364 G CA 0.040 45.179 45.100 0.064 0.000 0.845 364 G HN 0.445 nan 8.290 nan 0.000 0.572 365 S N -0.753 114.999 115.700 0.087 0.000 2.383 365 S HA -0.078 4.392 4.470 0.000 0.000 0.227 365 S C 1.984 176.696 174.600 0.186 0.000 1.026 365 S CA 2.002 60.278 58.200 0.126 0.000 0.981 365 S CB -0.237 63.012 63.200 0.081 0.000 0.818 365 S HN 0.717 nan 8.310 nan 0.000 0.472 366 E N 0.297 120.589 120.200 0.153 0.000 2.000 366 E HA -0.263 4.087 4.350 0.000 0.000 0.199 366 E C 1.890 178.612 176.600 0.202 0.000 1.011 366 E CA 1.641 58.129 56.400 0.147 0.000 0.836 366 E CB -0.520 29.247 29.700 0.112 0.000 0.778 366 E HN 0.741 nan 8.360 nan 0.000 0.462 367 H N -1.411 117.716 119.070 0.095 0.000 2.292 367 H HA -0.291 4.265 4.556 0.000 0.000 0.292 367 H C 2.203 177.591 175.328 0.100 0.000 1.100 367 H CA 2.041 58.140 56.048 0.085 0.000 1.238 367 H CB -0.284 29.527 29.762 0.081 0.000 1.355 367 H HN 0.340 nan 8.280 nan 0.000 0.484 368 Y N 1.913 122.297 120.300 0.140 0.000 2.014 368 Y HA -0.339 4.211 4.550 0.000 0.000 0.272 368 Y C 2.357 178.297 175.900 0.067 0.000 1.164 368 Y CA 2.247 60.373 58.100 0.044 0.000 1.114 368 Y CB -0.699 37.766 38.460 0.009 0.000 0.961 368 Y HN 0.388 nan 8.280 nan 0.000 0.489 369 D N -0.507 119.932 120.400 0.065 0.000 2.133 369 D HA -0.197 4.443 4.640 0.000 0.000 0.195 369 D C 2.417 178.693 176.300 -0.040 0.000 0.997 369 D CA 1.834 55.815 54.000 -0.032 0.000 0.840 369 D CB -0.707 40.136 40.800 0.072 0.000 0.947 369 D HN 0.355 nan 8.370 nan 0.000 0.452 370 V N 1.870 121.803 119.914 0.032 0.000 2.223 370 V HA -0.267 3.854 4.120 0.000 0.000 0.244 370 V C 2.687 178.777 176.094 -0.007 0.000 1.045 370 V CA 1.965 64.290 62.300 0.043 0.000 1.000 370 V CB -1.109 30.763 31.823 0.081 0.000 0.635 370 V HN 0.207 nan 8.190 nan 0.000 0.445 371 A N 0.304 123.124 122.820 -0.001 0.000 1.881 371 A HA -0.308 4.012 4.320 0.000 0.000 0.219 371 A C 2.324 179.833 177.584 -0.125 0.000 1.215 371 A CA 2.400 54.404 52.037 -0.056 0.000 0.648 371 A CB -0.665 18.325 19.000 -0.017 0.000 0.832 371 A HN 0.440 nan 8.150 nan 0.000 0.455 372 R N -0.854 119.505 120.500 -0.234 0.000 2.103 372 R HA -0.152 4.188 4.340 0.000 0.000 0.242 372 R C 2.405 178.638 176.300 -0.111 0.000 1.142 372 R CA 1.466 57.430 56.100 -0.227 0.000 0.960 372 R CB -1.645 28.440 30.300 -0.358 0.000 0.858 372 R HN 0.592 nan 8.270 nan 0.000 0.439 373 G N 0.473 109.227 108.800 -0.077 0.000 2.446 373 G HA2 -0.218 3.742 3.960 0.000 0.000 0.217 373 G HA3 -0.218 3.742 3.960 0.000 0.000 0.217 373 G C 1.617 176.515 174.900 -0.003 0.000 1.168 373 G CA 0.947 46.034 45.100 -0.022 0.000 0.771 373 G HN 0.197 nan 8.290 nan 0.000 0.551 374 V N 0.570 120.481 119.914 -0.004 0.000 2.343 374 V HA -0.245 3.875 4.120 0.000 0.000 0.247 374 V C 2.923 179.012 176.094 -0.007 0.000 1.051 374 V CA 2.281 64.586 62.300 0.008 0.000 1.036 374 V CB -0.652 31.142 31.823 -0.048 0.000 0.654 374 V HN 0.443 nan 8.190 nan 0.000 0.451 375 Q N -0.152 119.627 119.800 -0.035 0.000 2.096 375 Q HA -0.296 4.044 4.340 0.000 0.000 0.204 375 Q C 2.303 178.299 176.000 -0.007 0.000 0.982 375 Q CA 2.122 57.910 55.803 -0.026 0.000 0.850 375 Q CB -0.245 28.466 28.738 -0.046 0.000 0.901 375 Q HN 0.589 nan 8.270 nan 0.000 0.422 376 K N 0.850 121.243 120.400 -0.012 0.000 2.001 376 K HA -0.173 4.147 4.320 0.000 0.000 0.208 376 K C 1.921 178.535 176.600 0.023 0.000 1.048 376 K CA 1.065 57.353 56.287 0.001 0.000 0.932 376 K CB -0.285 32.211 32.500 -0.008 0.000 0.715 376 K HN 0.088 nan 8.250 nan 0.000 0.437 377 I N 1.067 121.653 120.570 0.025 0.000 2.248 377 I HA -0.277 3.893 4.170 0.000 0.000 0.248 377 I C 1.736 177.897 176.117 0.073 0.000 1.107 377 I CA 1.461 62.783 61.300 0.038 0.000 1.373 377 I CB -0.012 38.003 38.000 0.025 0.000 1.055 377 I HN 0.259 nan 8.210 nan 0.000 0.418 378 L N -0.724 120.544 121.223 0.074 0.000 2.156 378 L HA -0.182 4.158 4.340 0.000 0.000 0.208 378 L C 2.467 179.400 176.870 0.104 0.000 1.095 378 L CA 1.087 55.996 54.840 0.114 0.000 0.770 378 L CB -0.521 41.586 42.059 0.081 0.000 0.914 378 L HN 0.305 nan 8.230 nan 0.000 0.439 379 Q N -0.210 119.626 119.800 0.060 0.000 2.123 379 Q HA -0.180 4.160 4.340 0.000 0.000 0.199 379 Q C 1.685 177.712 176.000 0.045 0.000 0.966 379 Q CA 1.464 57.289 55.803 0.036 0.000 0.845 379 Q CB -0.007 28.742 28.738 0.017 0.000 0.907 379 Q HN 0.445 nan 8.270 nan 0.000 0.439 380 D N -0.097 120.342 120.400 0.065 0.000 2.097 380 D HA -0.179 4.461 4.640 0.000 0.000 0.197 380 D C 1.518 177.888 176.300 0.117 0.000 0.984 380 D CA 0.918 54.961 54.000 0.071 0.000 0.826 380 D CB -0.394 40.445 40.800 0.064 0.000 0.973 380 D HN 0.176 nan 8.370 nan 0.000 0.460 381 Y N 2.006 122.306 120.300 -0.000 0.000 2.053 381 Y HA -0.283 4.267 4.550 0.000 0.000 0.277 381 Y C 2.168 178.067 175.900 -0.002 0.000 1.159 381 Y CA 1.757 59.857 58.100 -0.000 0.000 1.125 381 Y CB -0.525 37.936 38.460 0.001 0.000 0.969 381 Y HN -0.152 nan 8.280 nan 0.000 0.492 382 K N -0.349 119.982 120.400 -0.115 0.000 2.107 382 K HA -0.229 4.091 4.320 0.000 0.000 0.211 382 K C 2.088 178.599 176.600 -0.147 0.000 1.049 382 K CA 2.212 58.377 56.287 -0.204 0.000 0.927 382 K CB -0.269 32.181 32.500 -0.083 0.000 0.714 382 K HN 0.428 nan 8.250 nan 0.000 0.452 383 S N 1.191 116.853 115.700 -0.064 0.000 2.368 383 S HA -0.099 4.371 4.470 0.000 0.000 0.224 383 S C 1.923 176.499 174.600 -0.041 0.000 1.029 383 S CA 1.146 59.321 58.200 -0.041 0.000 0.988 383 S CB -0.278 62.916 63.200 -0.009 0.000 0.838 383 S HN 0.266 nan 8.310 nan 0.000 0.462 384 L N 1.651 122.861 121.223 -0.022 0.000 2.127 384 L HA -0.218 4.122 4.340 0.000 0.000 0.211 384 L C 2.841 179.687 176.870 -0.039 0.000 1.089 384 L CA 1.300 56.141 54.840 0.002 0.000 0.757 384 L CB -0.710 41.398 42.059 0.081 0.000 0.899 384 L HN 0.436 nan 8.230 nan 0.000 0.434 385 Q N 0.553 120.279 119.800 -0.125 0.000 2.084 385 Q HA -0.346 3.994 4.340 0.000 0.000 0.215 385 Q C 1.723 177.682 176.000 -0.067 0.000 1.020 385 Q CA 2.667 58.387 55.803 -0.138 0.000 0.887 385 Q CB -0.173 28.450 28.738 -0.191 0.000 0.975 385 Q HN 0.549 nan 8.270 nan 0.000 0.413 386 D N -0.299 120.067 120.400 -0.057 0.000 2.137 386 D HA -0.220 4.420 4.640 0.000 0.000 0.189 386 D C 2.024 178.312 176.300 -0.021 0.000 0.998 386 D CA 1.986 55.965 54.000 -0.035 0.000 0.839 386 D CB -0.365 40.417 40.800 -0.030 0.000 0.962 386 D HN 0.316 nan 8.370 nan 0.000 0.446 387 I N 1.699 122.261 120.570 -0.013 0.000 2.118 387 I HA -0.275 3.895 4.170 0.000 0.000 0.241 387 I C 2.486 178.604 176.117 0.002 0.000 1.070 387 I CA 0.801 62.099 61.300 -0.002 0.000 1.327 387 I CB -0.475 37.528 38.000 0.005 0.000 1.034 387 I HN 0.065 nan 8.210 nan 0.000 0.405 388 I N 0.826 121.400 120.570 0.006 0.000 2.113 388 I HA -0.402 3.768 4.170 0.000 0.000 0.242 388 I C 2.639 178.761 176.117 0.008 0.000 1.057 388 I CA 2.301 63.610 61.300 0.016 0.000 1.314 388 I CB -1.834 36.182 38.000 0.028 0.000 1.022 388 I HN 0.306 nan 8.210 nan 0.000 0.408 389 A N 0.527 123.345 122.820 -0.003 0.000 1.872 389 A HA -0.077 4.243 4.320 0.000 0.000 0.214 389 A C 2.249 179.831 177.584 -0.003 0.000 1.187 389 A CA 1.071 53.105 52.037 -0.005 0.000 0.614 389 A CB -0.326 18.666 19.000 -0.013 0.000 0.826 389 A HN 0.265 nan 8.150 nan 0.000 0.442 390 I N -0.003 120.564 120.570 -0.005 0.000 2.315 390 I HA -0.060 4.110 4.170 0.000 0.000 0.233 390 I C 2.173 178.290 176.117 -0.001 0.000 1.067 390 I CA 0.957 62.255 61.300 -0.004 0.000 1.376 390 I CB -1.587 36.409 38.000 -0.006 0.000 1.143 390 I HN 0.213 nan 8.210 nan 0.000 0.421 391 L N 1.045 122.268 121.223 0.000 0.000 2.642 391 L HA 0.082 4.422 4.340 0.000 0.000 0.236 391 L C 0.798 177.671 176.870 0.005 0.000 1.169 391 L CA 0.336 55.177 54.840 0.003 0.000 0.851 391 L CB -1.457 40.604 42.059 0.003 0.000 0.968 391 L HN 0.553 nan 8.230 nan 0.000 0.453 392 G N 0.799 109.602 108.800 0.006 0.000 2.850 392 G HA2 -0.315 3.646 3.960 0.000 0.000 0.686 392 G HA3 -0.315 3.646 3.960 0.000 0.000 0.686 392 G C -0.264 174.643 174.900 0.013 0.000 1.164 392 G CA -0.276 44.829 45.100 0.008 0.000 0.826 392 G HN 0.199 nan 8.290 nan 0.000 0.586 393 M N 1.756 121.366 119.600 0.017 0.000 3.706 393 M HA 0.249 4.729 4.480 0.000 0.000 0.204 393 M C 0.216 176.528 176.300 0.019 0.000 1.455 393 M CA 0.246 55.561 55.300 0.024 0.000 1.659 393 M CB -0.366 32.254 32.600 0.033 0.000 1.076 393 M HN 0.552 nan 8.290 nan 0.000 0.577 394 D N -0.232 120.177 120.400 0.015 0.000 2.401 394 D HA 0.045 4.685 4.640 0.000 0.000 0.269 394 D C 0.390 176.697 176.300 0.011 0.000 1.117 394 D CA 0.040 54.048 54.000 0.012 0.000 0.829 394 D CB 0.507 41.313 40.800 0.010 0.000 1.350 394 D HN 0.400 nan 8.370 nan 0.000 0.529 395 E N 1.137 121.344 120.200 0.012 0.000 2.609 395 E HA 0.231 4.581 4.350 0.000 0.000 0.208 395 E C -0.210 176.398 176.600 0.013 0.000 1.013 395 E CA -0.224 56.182 56.400 0.011 0.000 1.093 395 E CB 0.189 29.894 29.700 0.009 0.000 1.129 395 E HN 0.283 nan 8.360 nan 0.000 0.450 396 L N 1.991 123.224 121.223 0.016 0.000 2.313 396 L HA 0.191 4.531 4.340 0.000 0.000 0.282 396 L C 1.074 177.953 176.870 0.015 0.000 1.092 396 L CA -0.409 54.442 54.840 0.018 0.000 0.831 396 L CB 0.817 42.890 42.059 0.024 0.000 1.159 396 L HN 0.040 nan 8.230 nan 0.000 0.442 397 S N 1.673 117.381 115.700 0.014 0.000 2.587 397 S HA 0.023 4.493 4.470 0.000 0.000 0.260 397 S C 0.998 175.604 174.600 0.010 0.000 1.353 397 S CA -0.414 57.792 58.200 0.011 0.000 0.995 397 S CB 0.783 63.989 63.200 0.010 0.000 0.912 397 S HN 0.708 nan 8.310 nan 0.000 0.568 398 E N 1.084 121.289 120.200 0.008 0.000 2.065 398 E HA -0.253 4.097 4.350 0.000 0.000 0.201 398 E C 2.043 178.647 176.600 0.006 0.000 1.016 398 E CA 2.016 58.420 56.400 0.007 0.000 0.818 398 E CB -0.364 29.340 29.700 0.005 0.000 0.749 398 E HN 0.812 nan 8.360 nan 0.000 0.453 399 E N 0.627 120.832 120.200 0.007 0.000 2.153 399 E HA -0.192 4.158 4.350 0.000 0.000 0.194 399 E C 1.656 178.262 176.600 0.010 0.000 0.988 399 E CA 1.169 57.574 56.400 0.008 0.000 0.811 399 E CB -0.037 29.669 29.700 0.009 0.000 0.746 399 E HN 0.266 nan 8.360 nan 0.000 0.466 400 D N 0.534 120.942 120.400 0.014 0.000 2.162 400 D HA -0.066 4.574 4.640 0.000 0.000 0.203 400 D C 1.607 177.920 176.300 0.020 0.000 0.967 400 D CA 0.942 54.955 54.000 0.022 0.000 0.840 400 D CB -0.000 40.815 40.800 0.025 0.000 0.972 400 D HN 0.079 nan 8.370 nan 0.000 0.482 401 K N -0.085 120.322 120.400 0.012 0.000 2.167 401 K HA 0.014 4.334 4.320 0.000 0.000 0.203 401 K C 1.976 178.569 176.600 -0.012 0.000 1.052 401 K CA 0.216 56.506 56.287 0.006 0.000 0.956 401 K CB 0.089 32.593 32.500 0.007 0.000 0.735 401 K HN 0.008 nan 8.250 nan 0.000 0.451 402 L N 1.085 122.301 121.223 -0.010 0.000 2.056 402 L HA -0.194 4.146 4.340 0.000 0.000 0.207 402 L C 2.656 179.500 176.870 -0.043 0.000 1.078 402 L CA 1.868 56.696 54.840 -0.021 0.000 0.749 402 L CB -0.923 41.130 42.059 -0.010 0.000 0.901 402 L HN 0.347 nan 8.230 nan 0.000 0.433 403 T N -3.818 110.718 114.554 -0.030 0.000 2.652 403 T HA -0.211 4.139 4.350 0.000 0.000 0.267 403 T C 1.870 176.493 174.700 -0.127 0.000 1.039 403 T CA 1.681 63.756 62.100 -0.042 0.000 1.153 403 T CB -1.063 67.809 68.868 0.008 0.000 0.863 403 T HN 0.077 nan 8.240 nan 0.000 0.428 404 V N 2.779 122.623 119.914 -0.117 0.000 2.332 404 V HA -0.190 3.930 4.120 0.000 0.000 0.248 404 V C 3.245 179.133 176.094 -0.345 0.000 1.055 404 V CA 2.197 64.331 62.300 -0.278 0.000 1.038 404 V CB -1.100 30.702 31.823 -0.035 0.000 0.651 404 V HN 0.831 nan 8.190 nan 0.000 0.450 405 S N 0.291 115.887 115.700 -0.173 0.000 2.368 405 S HA -0.177 4.293 4.470 0.000 0.000 0.224 405 S C 2.051 176.552 174.600 -0.165 0.000 1.029 405 S CA 1.073 59.191 58.200 -0.136 0.000 0.988 405 S CB -0.436 62.728 63.200 -0.060 0.000 0.838 405 S HN 0.548 nan 8.310 nan 0.000 0.462 406 R N 1.780 122.188 120.500 -0.153 0.000 2.070 406 R HA 0.061 4.401 4.340 0.000 0.000 0.232 406 R C 2.879 179.063 176.300 -0.194 0.000 1.138 406 R CA 1.250 57.259 56.100 -0.153 0.000 0.936 406 R CB -1.078 29.165 30.300 -0.095 0.000 0.839 406 R HN 0.524 nan 8.270 nan 0.000 0.429 407 A N 1.778 124.459 122.820 -0.230 0.000 1.915 407 A HA -0.267 4.053 4.320 0.000 0.000 0.220 407 A C 2.123 179.556 177.584 -0.251 0.000 1.198 407 A CA 1.895 53.782 52.037 -0.251 0.000 0.647 407 A CB -0.613 18.107 19.000 -0.467 0.000 0.825 407 A HN 0.311 nan 8.150 nan 0.000 0.456 408 R N -0.571 119.715 120.500 -0.357 0.000 2.189 408 R HA -0.065 4.275 4.340 0.000 0.000 0.223 408 R C 2.076 178.304 176.300 -0.119 0.000 1.092 408 R CA 1.341 57.321 56.100 -0.201 0.000 0.989 408 R CB -0.204 29.982 30.300 -0.191 0.000 0.876 408 R HN 0.601 nan 8.270 nan 0.000 0.457 409 K N 0.682 120.950 120.400 -0.221 0.000 2.021 409 K HA -0.003 4.317 4.320 0.000 0.000 0.205 409 K C 2.109 178.480 176.600 -0.381 0.000 1.047 409 K CA 0.975 56.983 56.287 -0.465 0.000 0.943 409 K CB -0.140 31.817 32.500 -0.904 0.000 0.725 409 K HN 0.044 nan 8.250 nan 0.000 0.439 410 I N 2.019 122.459 120.570 -0.216 0.000 2.113 410 I HA -0.395 3.775 4.170 0.000 0.000 0.242 410 I C 2.982 179.232 176.117 0.221 0.000 1.064 410 I CA 1.598 62.952 61.300 0.090 0.000 1.320 410 I CB -0.383 37.717 38.000 0.166 0.000 1.028 410 I HN 0.334 nan 8.210 nan 0.000 0.406 411 Q N 1.180 121.048 119.800 0.114 0.000 2.061 411 Q HA -0.248 4.092 4.340 0.000 0.000 0.204 411 Q C 2.342 178.436 176.000 0.157 0.000 0.984 411 Q CA 1.767 57.648 55.803 0.130 0.000 0.846 411 Q CB -0.030 28.768 28.738 0.101 0.000 0.902 411 Q HN 0.468 nan 8.270 nan 0.000 0.421 412 R N -0.757 119.838 120.500 0.158 0.000 2.115 412 R HA -0.070 4.270 4.340 0.000 0.000 0.226 412 R C 2.048 178.549 176.300 0.335 0.000 1.100 412 R CA 0.904 57.157 56.100 0.254 0.000 0.980 412 R CB -0.251 30.202 30.300 0.256 0.000 0.875 412 R HN 0.257 nan 8.270 nan 0.000 0.445 413 F N 1.357 121.354 119.950 0.078 0.000 2.604 413 F HA 0.046 4.573 4.527 0.000 0.000 0.298 413 F C 1.386 177.306 175.800 0.201 0.000 1.131 413 F CA 0.629 58.649 58.000 0.034 0.000 1.457 413 F CB -0.013 38.795 39.000 -0.319 0.000 1.095 413 F HN -0.097 nan 8.300 nan 0.000 0.574 414 L N -0.352 121.012 121.223 0.236 0.000 2.492 414 L HA 0.015 4.355 4.340 0.000 0.000 0.223 414 L C 1.403 178.317 176.870 0.073 0.000 1.132 414 L CA 0.230 55.164 54.840 0.157 0.000 0.850 414 L CB -0.739 41.396 42.059 0.127 0.000 0.966 414 L HN 0.077 nan 8.230 nan 0.000 0.454 415 S N -0.167 115.583 115.700 0.082 0.000 2.624 415 S HA 0.404 4.874 4.470 0.000 0.000 0.263 415 S C -0.270 174.317 174.600 -0.021 0.000 1.287 415 S CA -0.545 57.660 58.200 0.009 0.000 0.990 415 S CB 1.746 64.935 63.200 -0.018 0.000 0.950 415 S HN 0.265 nan 8.310 nan 0.000 0.561 416 Q N 0.125 119.886 119.800 -0.065 0.000 2.507 416 Q HA 0.255 4.595 4.340 0.000 0.000 0.242 416 Q C -3.211 172.774 176.000 -0.024 0.000 0.911 416 Q CA -1.372 54.430 55.803 -0.002 0.000 1.019 416 Q CB 1.809 30.615 28.738 0.113 0.000 1.523 416 Q HN 0.528 nan 8.270 nan 0.000 0.459 417 P HA 0.107 nan 4.420 nan 0.000 0.270 417 P C -0.821 176.623 177.300 0.240 0.000 1.242 417 P CA 0.091 63.218 63.100 0.045 0.000 0.768 417 P CB -0.007 31.716 31.700 0.039 0.000 0.820 418 F N 2.383 122.348 119.950 0.026 0.000 2.456 418 F HA 0.146 4.673 4.527 0.000 0.000 0.358 418 F C 2.159 177.976 175.800 0.028 0.000 1.095 418 F CA -0.818 57.198 58.000 0.027 0.000 1.216 418 F CB 0.455 39.471 39.000 0.028 0.000 1.125 418 F HN 0.450 nan 8.300 nan 0.000 0.549 419 Q N 1.904 121.807 119.800 0.171 0.000 2.308 419 Q HA -0.122 4.218 4.340 0.000 0.000 0.209 419 Q C 1.210 177.262 176.000 0.087 0.000 0.985 419 Q CA 1.400 57.257 55.803 0.090 0.000 0.881 419 Q CB 0.208 28.965 28.738 0.031 0.000 0.917 419 Q HN 0.572 nan 8.270 nan 0.000 0.443 420 V N 0.149 120.134 119.914 0.119 0.000 3.129 420 V HA -0.047 4.073 4.120 0.000 0.000 0.259 420 V C 2.034 178.214 176.094 0.143 0.000 1.116 420 V CA 1.128 63.492 62.300 0.107 0.000 1.127 420 V CB -0.166 31.718 31.823 0.101 0.000 0.742 420 V HN 0.434 nan 8.190 nan 0.000 0.474 421 A N -0.332 122.593 122.820 0.176 0.000 2.016 421 A HA -0.118 4.202 4.320 0.000 0.000 0.217 421 A C 2.048 179.723 177.584 0.151 0.000 1.162 421 A CA 1.017 53.156 52.037 0.171 0.000 0.662 421 A CB -0.287 18.785 19.000 0.121 0.000 0.812 421 A HN 0.553 nan 8.150 nan 0.000 0.450 422 E N 0.070 120.329 120.200 0.099 0.000 2.113 422 E HA -0.254 4.096 4.350 0.000 0.000 0.210 422 E C 1.761 178.346 176.600 -0.024 0.000 1.040 422 E CA 2.010 58.439 56.400 0.048 0.000 0.847 422 E CB -0.651 29.059 29.700 0.018 0.000 0.755 422 E HN 0.440 nan 8.360 nan 0.000 0.459 423 V N -0.054 119.792 119.914 -0.113 0.000 2.876 423 V HA -0.254 3.866 4.120 0.000 0.000 0.265 423 V C 1.403 177.081 176.094 -0.692 0.000 1.135 423 V CA 1.772 63.833 62.300 -0.399 0.000 1.152 423 V CB -0.687 30.813 31.823 -0.538 0.000 0.727 423 V HN 0.212 nan 8.190 nan 0.000 0.511 424 F N -1.063 118.889 119.950 0.005 0.000 2.570 424 F HA 0.061 4.588 4.527 0.000 0.000 0.290 424 F C 2.412 178.227 175.800 0.025 0.000 0.910 424 F CA 0.779 58.782 58.000 0.004 0.000 1.119 424 F CB -0.694 38.301 39.000 -0.007 0.000 0.922 424 F HN 0.064 nan 8.300 nan 0.000 0.703 425 T N -1.937 112.753 114.554 0.226 0.000 2.962 425 T HA 0.142 4.492 4.350 0.000 0.000 0.270 425 T C 1.875 176.710 174.700 0.225 0.000 1.088 425 T CA 0.982 63.212 62.100 0.218 0.000 1.127 425 T CB -0.757 68.228 68.868 0.195 0.000 0.883 425 T HN 0.603 nan 8.240 nan 0.000 0.493 426 G N 1.018 109.862 108.800 0.073 0.000 2.225 426 G HA2 -0.238 3.722 3.960 0.000 0.000 0.267 426 G HA3 -0.238 3.722 3.960 0.000 0.000 0.267 426 G C -0.205 174.537 174.900 -0.264 0.000 1.024 426 G CA 0.475 45.525 45.100 -0.083 0.000 0.784 426 G HN 0.843 nan 8.290 nan 0.000 0.507 427 H N -1.858 117.220 119.070 0.014 0.000 2.667 427 H HA 0.526 5.082 4.556 0.000 0.000 0.353 427 H C 0.074 175.411 175.328 0.015 0.000 1.072 427 H CA -0.975 55.080 56.048 0.012 0.000 1.214 427 H CB 1.619 31.388 29.762 0.012 0.000 1.600 427 H HN 0.247 nan 8.280 nan 0.000 0.527 428 L N 2.751 124.040 121.223 0.110 0.000 2.559 428 L HA 0.222 4.562 4.340 0.000 0.000 0.274 428 L C 0.809 177.731 176.870 0.088 0.000 1.205 428 L CA 0.486 55.368 54.840 0.071 0.000 0.907 428 L CB -0.025 42.061 42.059 0.044 0.000 1.153 428 L HN 0.825 nan 8.230 nan 0.000 0.490 429 G N 4.509 113.356 108.800 0.079 0.000 2.544 429 G HA2 0.295 4.255 3.960 0.000 0.000 0.242 429 G HA3 0.295 4.255 3.960 0.000 0.000 0.242 429 G C -0.598 174.348 174.900 0.077 0.000 1.247 429 G CA -0.610 44.548 45.100 0.097 0.000 0.840 429 G HN 0.552 nan 8.290 nan 0.000 0.578 430 K N 0.877 121.333 120.400 0.094 0.000 2.376 430 K HA 0.352 4.672 4.320 0.000 0.000 0.257 430 K C -1.179 175.457 176.600 0.060 0.000 0.939 430 K CA -1.043 55.286 56.287 0.069 0.000 0.809 430 K CB 2.229 34.772 32.500 0.072 0.000 1.121 430 K HN 0.313 nan 8.250 nan 0.000 0.425 431 L N 3.777 125.015 121.223 0.026 0.000 2.295 431 L HA 0.355 4.695 4.340 0.000 0.000 0.281 431 L C -1.106 175.767 176.870 0.005 0.000 1.018 431 L CA -0.789 54.051 54.840 -0.000 0.000 0.841 431 L CB 1.185 43.227 42.059 -0.028 0.000 1.218 431 L HN 0.282 nan 8.230 nan 0.000 0.424 432 V N 7.573 127.495 119.914 0.013 0.000 2.406 432 V HA 0.435 4.555 4.120 0.000 0.000 0.272 432 V C -1.881 174.216 176.094 0.006 0.000 1.043 432 V CA -1.337 60.975 62.300 0.019 0.000 0.915 432 V CB 0.927 32.767 31.823 0.029 0.000 0.988 432 V HN 0.713 nan 8.190 nan 0.000 0.466 433 P HA 0.114 nan 4.420 nan 0.000 0.271 433 P C 0.641 177.945 177.300 0.007 0.000 1.218 433 P CA -0.457 62.645 63.100 0.004 0.000 0.780 433 P CB 0.723 32.427 31.700 0.007 0.000 0.901 434 L N 2.734 123.958 121.223 0.001 0.000 2.265 434 L HA -0.144 4.196 4.340 0.000 0.000 0.215 434 L C 1.729 178.581 176.870 -0.030 0.000 1.117 434 L CA 1.936 56.762 54.840 -0.023 0.000 0.782 434 L CB -0.721 41.331 42.059 -0.012 0.000 0.914 434 L HN 0.257 nan 8.230 nan 0.000 0.441 435 K N -0.901 119.501 120.400 0.003 0.000 2.044 435 K HA -0.068 4.252 4.320 0.000 0.000 0.204 435 K C 1.980 178.606 176.600 0.044 0.000 1.049 435 K CA 1.053 57.351 56.287 0.018 0.000 0.945 435 K CB -0.047 32.469 32.500 0.027 0.000 0.724 435 K HN 0.210 nan 8.250 nan 0.000 0.440 436 E N 0.431 120.665 120.200 0.056 0.000 2.118 436 E HA -0.155 4.195 4.350 0.000 0.000 0.195 436 E C 2.043 178.727 176.600 0.139 0.000 0.992 436 E CA 1.346 57.802 56.400 0.094 0.000 0.804 436 E CB -0.367 29.384 29.700 0.085 0.000 0.741 436 E HN 0.272 nan 8.360 nan 0.000 0.458 437 T N 2.214 116.831 114.554 0.106 0.000 2.622 437 T HA -0.128 4.222 4.350 0.000 0.000 0.266 437 T C 2.018 176.850 174.700 0.220 0.000 1.047 437 T CA 1.152 63.346 62.100 0.156 0.000 1.159 437 T CB -0.160 68.725 68.868 0.028 0.000 0.863 437 T HN 0.059 nan 8.240 nan 0.000 0.422 438 I N 1.303 121.906 120.570 0.054 0.000 2.127 438 I HA -0.183 3.987 4.170 0.000 0.000 0.241 438 I C 2.381 178.587 176.117 0.148 0.000 1.075 438 I CA 1.725 63.048 61.300 0.039 0.000 1.334 438 I CB -1.033 36.933 38.000 -0.056 0.000 1.040 438 I HN 0.312 nan 8.210 nan 0.000 0.405 439 K N 0.788 121.266 120.400 0.130 0.000 2.009 439 K HA -0.141 4.179 4.320 0.000 0.000 0.210 439 K C 2.236 178.955 176.600 0.197 0.000 1.049 439 K CA 1.560 57.933 56.287 0.143 0.000 0.929 439 K CB -0.677 31.892 32.500 0.116 0.000 0.714 439 K HN 0.455 nan 8.250 nan 0.000 0.440 440 G N 1.008 109.950 108.800 0.235 0.000 2.553 440 G HA2 -0.270 3.690 3.960 0.000 0.000 0.218 440 G HA3 -0.270 3.690 3.960 0.000 0.000 0.218 440 G C 1.292 176.320 174.900 0.212 0.000 1.195 440 G CA 1.145 46.398 45.100 0.255 0.000 0.779 440 G HN 0.169 nan 8.290 nan 0.000 0.577 441 F N 0.691 120.815 119.950 0.290 0.000 2.234 441 F HA 0.021 4.548 4.527 0.000 0.000 0.299 441 F C 2.890 178.763 175.800 0.121 0.000 1.087 441 F CA 1.449 59.570 58.000 0.202 0.000 1.340 441 F CB -0.404 38.662 39.000 0.109 0.000 1.031 441 F HN 0.196 nan 8.300 nan 0.000 0.500 442 Q N 0.305 120.264 119.800 0.264 0.000 2.096 442 Q HA -0.270 4.070 4.340 0.000 0.000 0.204 442 Q C 2.099 178.174 176.000 0.125 0.000 0.982 442 Q CA 1.938 57.838 55.803 0.163 0.000 0.850 442 Q CB -0.101 28.716 28.738 0.132 0.000 0.901 442 Q HN 0.508 nan 8.270 nan 0.000 0.422 443 Q N -0.191 119.697 119.800 0.148 0.000 2.049 443 Q HA -0.117 4.223 4.340 0.000 0.000 0.198 443 Q C 2.218 178.280 176.000 0.104 0.000 0.971 443 Q CA 1.232 57.104 55.803 0.115 0.000 0.833 443 Q CB 0.019 28.899 28.738 0.237 0.000 0.896 443 Q HN 0.463 nan 8.270 nan 0.000 0.434 444 I N 0.975 121.629 120.570 0.140 0.000 2.163 444 I HA -0.304 3.866 4.170 0.000 0.000 0.243 444 I C 2.340 178.469 176.117 0.020 0.000 1.085 444 I CA 1.409 62.734 61.300 0.043 0.000 1.347 444 I CB -0.931 36.991 38.000 -0.130 0.000 1.044 444 I HN 0.269 nan 8.210 nan 0.000 0.408 445 L N 1.044 122.300 121.223 0.055 0.000 2.013 445 L HA -0.226 4.114 4.340 0.000 0.000 0.212 445 L C 2.892 179.775 176.870 0.022 0.000 1.073 445 L CA 1.667 56.533 54.840 0.044 0.000 0.753 445 L CB -0.764 41.338 42.059 0.071 0.000 0.890 445 L HN 0.235 nan 8.230 nan 0.000 0.432 446 A N -0.722 122.111 122.820 0.022 0.000 1.978 446 A HA -0.007 4.313 4.320 0.000 0.000 0.220 446 A C 1.953 179.531 177.584 -0.010 0.000 1.170 446 A CA 1.657 53.695 52.037 0.002 0.000 0.636 446 A CB -0.704 18.290 19.000 -0.010 0.000 0.810 446 A HN 0.635 nan 8.150 nan 0.000 0.448 447 G N -1.632 107.161 108.800 -0.012 0.000 2.179 447 G HA2 -0.228 3.732 3.960 0.000 0.000 0.220 447 G HA3 -0.228 3.732 3.960 0.000 0.000 0.220 447 G C 0.518 175.408 174.900 -0.016 0.000 0.990 447 G CA 0.613 45.710 45.100 -0.005 0.000 0.646 447 G HN 0.531 nan 8.290 nan 0.000 0.517 448 E N -0.876 119.264 120.200 -0.101 0.000 2.209 448 E HA -0.111 4.239 4.350 0.000 0.000 0.196 448 E C 1.004 177.431 176.600 -0.287 0.000 0.993 448 E CA 1.278 57.528 56.400 -0.250 0.000 0.819 448 E CB -0.113 29.299 29.700 -0.481 0.000 0.745 448 E HN 0.734 nan 8.360 nan 0.000 0.477 449 Y N -0.331 119.989 120.300 0.032 0.000 2.660 449 Y HA 0.125 4.676 4.550 0.000 0.000 0.254 449 Y C 0.800 176.623 175.900 -0.129 0.000 1.176 449 Y CA -0.494 57.533 58.100 -0.122 0.000 1.195 449 Y CB 0.502 38.943 38.460 -0.032 0.000 1.190 449 Y HN -0.105 nan 8.280 nan 0.000 0.535 450 D N -0.282 120.175 120.400 0.096 0.000 2.221 450 D HA -0.160 4.480 4.640 0.000 0.000 0.204 450 D C 1.559 177.906 176.300 0.079 0.000 0.982 450 D CA 1.272 55.323 54.000 0.085 0.000 0.857 450 D CB -0.275 40.569 40.800 0.073 0.000 0.934 450 D HN 0.566 nan 8.370 nan 0.000 0.475 451 H N -0.231 118.884 119.070 0.076 0.000 2.933 451 H HA 0.266 4.822 4.556 0.000 0.000 0.306 451 H C -0.036 175.320 175.328 0.048 0.000 1.142 451 H CA 0.048 56.124 56.048 0.047 0.000 1.193 451 H CB -0.902 28.874 29.762 0.024 0.000 1.330 451 H HN 0.102 nan 8.280 nan 0.000 0.585 452 L N 1.055 122.207 121.223 -0.119 0.000 2.393 452 L HA 0.440 4.780 4.340 0.000 0.000 0.260 452 L C -2.470 174.368 176.870 -0.055 0.000 1.002 452 L CA -2.433 52.311 54.840 -0.160 0.000 0.818 452 L CB 2.618 44.474 42.059 -0.339 0.000 1.369 452 L HN 0.049 nan 8.230 nan 0.000 0.412 453 P HA 0.201 nan 4.420 nan 0.000 0.279 453 P C 0.075 177.364 177.300 -0.018 0.000 1.239 453 P CA -0.353 62.721 63.100 -0.044 0.000 0.789 453 P CB 1.047 32.710 31.700 -0.062 0.000 0.933 454 E N 1.107 121.359 120.200 0.088 0.000 2.072 454 E HA -0.288 4.062 4.350 0.000 0.000 0.218 454 E C 1.640 178.320 176.600 0.134 0.000 1.051 454 E CA 1.515 58.023 56.400 0.180 0.000 0.880 454 E CB -0.299 29.450 29.700 0.081 0.000 0.783 454 E HN 0.494 nan 8.360 nan 0.000 0.473 455 Q N -0.596 119.224 119.800 0.034 0.000 2.528 455 Q HA -0.166 4.174 4.340 0.000 0.000 0.217 455 Q C 1.742 177.730 176.000 -0.021 0.000 0.988 455 Q CA 1.056 56.883 55.803 0.039 0.000 0.900 455 Q CB -0.247 28.497 28.738 0.010 0.000 0.947 455 Q HN 0.328 nan 8.270 nan 0.000 0.502 456 A N -0.808 121.884 122.820 -0.215 0.000 2.016 456 A HA -0.026 4.294 4.320 0.000 0.000 0.217 456 A C 1.406 178.693 177.584 -0.495 0.000 1.162 456 A CA 0.517 52.288 52.037 -0.443 0.000 0.662 456 A CB -0.257 18.305 19.000 -0.730 0.000 0.812 456 A HN 0.287 nan 8.150 nan 0.000 0.450 457 F N -2.574 117.337 119.950 -0.065 0.000 2.656 457 F HA 0.211 4.738 4.527 0.000 0.000 0.291 457 F C 0.833 176.712 175.800 0.131 0.000 1.122 457 F CA -0.627 57.341 58.000 -0.053 0.000 1.427 457 F CB -0.457 38.481 39.000 -0.102 0.000 1.125 457 F HN 0.228 nan 8.300 nan 0.000 0.583 458 Y N 2.765 123.157 120.300 0.153 0.000 2.620 458 Y HA 0.121 4.671 4.550 0.000 0.000 0.330 458 Y C 0.751 176.685 175.900 0.057 0.000 1.186 458 Y CA -1.251 56.908 58.100 0.098 0.000 1.467 458 Y CB 0.148 38.635 38.460 0.045 0.000 1.262 458 Y HN 0.044 nan 8.280 nan 0.000 0.550 459 M N 6.609 125.928 119.600 -0.468 0.000 3.116 459 M HA -0.183 4.297 4.480 0.000 0.000 0.169 459 M C -0.631 175.572 176.300 -0.162 0.000 1.303 459 M CA 1.153 56.206 55.300 -0.412 0.000 0.799 459 M CB -2.699 29.472 32.600 -0.715 0.000 1.243 459 M HN 0.506 nan 8.290 nan 0.000 0.690 460 V N -1.275 118.632 119.914 -0.012 0.000 3.998 460 V HA 1.118 5.238 4.120 0.000 0.000 0.297 460 V C 0.549 176.695 176.094 0.085 0.000 1.378 460 V CA 0.189 62.514 62.300 0.042 0.000 0.949 460 V CB 1.406 33.270 31.823 0.069 0.000 1.258 460 V HN 0.549 nan 8.190 nan 0.000 0.471 461 G N -0.590 108.282 108.800 0.121 0.000 3.088 461 G HA2 0.570 4.530 3.960 0.000 0.000 0.197 461 G HA3 0.570 4.530 3.960 0.000 0.000 0.197 461 G C -2.686 172.325 174.900 0.185 0.000 1.611 461 G CA -0.264 44.904 45.100 0.113 0.000 0.771 461 G HN 0.760 nan 8.290 nan 0.000 0.789 462 P HA 0.146 nan 4.420 nan 0.000 0.271 462 P C 0.759 178.154 177.300 0.159 0.000 1.244 462 P CA -0.450 62.743 63.100 0.154 0.000 0.793 462 P CB 1.245 32.991 31.700 0.077 0.000 0.984 463 I N 0.711 121.343 120.570 0.104 0.000 2.286 463 I HA -0.251 3.919 4.170 0.000 0.000 0.248 463 I C 1.867 177.815 176.117 -0.282 0.000 1.115 463 I CA 1.763 62.936 61.300 -0.211 0.000 1.392 463 I CB -1.060 36.795 38.000 -0.240 0.000 1.065 463 I HN 0.218 nan 8.210 nan 0.000 0.418 464 E N 0.971 121.098 120.200 -0.122 0.000 2.086 464 E HA -0.284 4.066 4.350 0.000 0.000 0.205 464 E C 2.122 178.644 176.600 -0.131 0.000 1.027 464 E CA 2.094 58.436 56.400 -0.098 0.000 0.830 464 E CB -0.464 29.220 29.700 -0.027 0.000 0.751 464 E HN 0.608 nan 8.360 nan 0.000 0.456 465 E N -0.294 119.849 120.200 -0.095 0.000 2.331 465 E HA -0.166 4.184 4.350 0.000 0.000 0.199 465 E C 1.835 178.331 176.600 -0.173 0.000 1.008 465 E CA 0.695 57.041 56.400 -0.090 0.000 0.843 465 E CB -0.099 29.586 29.700 -0.026 0.000 0.761 465 E HN 0.300 nan 8.360 nan 0.000 0.507 466 A N 0.744 123.386 122.820 -0.297 0.000 1.874 466 A HA -0.078 4.242 4.320 0.000 0.000 0.214 466 A C 2.466 179.752 177.584 -0.497 0.000 1.189 466 A CA 0.683 52.426 52.037 -0.490 0.000 0.615 466 A CB -0.421 18.143 19.000 -0.726 0.000 0.830 466 A HN 0.094 nan 8.150 nan 0.000 0.443 467 V N 0.151 119.820 119.914 -0.407 0.000 2.261 467 V HA -0.253 3.867 4.120 0.000 0.000 0.246 467 V C 3.066 179.053 176.094 -0.178 0.000 1.047 467 V CA 1.916 64.056 62.300 -0.265 0.000 1.015 467 V CB -1.389 30.355 31.823 -0.132 0.000 0.642 467 V HN 0.621 nan 8.190 nan 0.000 0.446 468 A N 0.039 122.775 122.820 -0.141 0.000 1.863 468 A HA -0.389 3.931 4.320 0.000 0.000 0.218 468 A C 2.331 179.855 177.584 -0.099 0.000 1.233 468 A CA 2.825 54.807 52.037 -0.092 0.000 0.655 468 A CB -0.811 18.146 19.000 -0.072 0.000 0.839 468 A HN 0.518 nan 8.150 nan 0.000 0.454 469 K N -0.607 119.720 120.400 -0.123 0.000 2.089 469 K HA -0.196 4.124 4.320 0.000 0.000 0.210 469 K C 2.171 178.695 176.600 -0.127 0.000 1.048 469 K CA 1.511 57.731 56.287 -0.112 0.000 0.926 469 K CB -0.379 32.042 32.500 -0.131 0.000 0.714 469 K HN 0.451 nan 8.250 nan 0.000 0.448 470 A N 1.873 124.580 122.820 -0.188 0.000 1.845 470 A HA -0.223 4.097 4.320 0.000 0.000 0.215 470 A C 1.702 179.226 177.584 -0.101 0.000 1.195 470 A CA 2.097 54.026 52.037 -0.180 0.000 0.616 470 A CB -0.804 18.043 19.000 -0.254 0.000 0.832 470 A HN 0.434 nan 8.150 nan 0.000 0.443 471 D N 0.042 120.394 120.400 -0.080 0.000 2.133 471 D HA -0.203 4.437 4.640 0.000 0.000 0.192 471 D C 1.871 178.150 176.300 -0.035 0.000 1.001 471 D CA 1.876 55.851 54.000 -0.042 0.000 0.844 471 D CB -0.428 40.354 40.800 -0.029 0.000 0.944 471 D HN 0.556 nan 8.370 nan 0.000 0.447 472 K N 0.234 120.610 120.400 -0.040 0.000 2.032 472 K HA -0.049 4.271 4.320 0.000 0.000 0.209 472 K C 2.238 178.823 176.600 -0.026 0.000 1.048 472 K CA 0.697 56.967 56.287 -0.028 0.000 0.927 472 K CB -0.187 32.298 32.500 -0.025 0.000 0.712 472 K HN 0.155 nan 8.250 nan 0.000 0.441 473 L N 0.567 121.767 121.223 -0.038 0.000 2.465 473 L HA 0.011 4.351 4.340 0.000 0.000 0.224 473 L C 0.791 177.645 176.870 -0.028 0.000 1.145 473 L CA 0.193 55.014 54.840 -0.031 0.000 0.834 473 L CB -0.991 41.043 42.059 -0.043 0.000 0.944 473 L HN 0.295 nan 8.230 nan 0.000 0.451 474 A N 0.000 122.802 122.820 -0.030 0.000 2.254 474 A HA 0.000 4.320 4.320 0.000 0.000 0.244 474 A CA 0.000 52.025 52.037 -0.021 0.000 0.836 474 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486