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 1h8e_1_E DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMXX 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 MVGPIE 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 0.000 174.854 174.700 0.257 0.000 1.109 9 T CA 0.000 62.191 62.100 0.151 0.000 1.349 9 T CB 0.000 68.976 68.868 0.179 0.000 0.612 10 T N 1.248 115.912 114.554 0.183 0.000 2.792 10 T HA 0.758 5.108 4.350 0.000 0.000 0.280 10 T C 0.536 175.147 174.700 -0.148 0.000 0.990 10 T CA -0.158 61.977 62.100 0.057 0.000 0.960 10 T CB 1.250 70.119 68.868 0.003 0.000 0.939 10 T HN 1.065 nan 8.240 nan 0.000 0.439 11 G N 2.203 110.661 108.800 -0.570 0.000 2.887 11 G HA2 0.756 4.716 3.960 0.000 0.000 0.277 11 G HA3 0.756 4.716 3.960 0.000 0.000 0.277 11 G C -1.041 173.543 174.900 -0.527 0.000 1.346 11 G CA -0.913 43.589 45.100 -0.998 0.000 1.058 11 G HN 0.590 nan 8.290 nan 0.000 0.535 12 R N -0.741 119.492 120.500 -0.445 0.000 2.621 12 R HA 0.391 4.731 4.340 0.000 0.000 0.292 12 R C -0.469 175.713 176.300 -0.196 0.000 0.969 12 R CA -0.738 55.215 56.100 -0.244 0.000 0.887 12 R CB 2.462 32.664 30.300 -0.163 0.000 1.180 12 R HN 0.357 nan 8.270 nan 0.000 0.450 13 I N 3.205 123.695 120.570 -0.132 0.000 2.618 13 I HA -0.093 4.077 4.170 0.000 0.000 0.284 13 I C 1.481 177.558 176.117 -0.067 0.000 1.146 13 I CA 0.255 61.504 61.300 -0.086 0.000 1.425 13 I CB 0.954 38.919 38.000 -0.058 0.000 1.383 13 I HN 0.573 nan 8.210 nan 0.000 0.562 14 V N 2.980 122.864 119.914 -0.051 0.000 3.635 14 V HA 0.574 4.694 4.120 0.000 0.000 0.266 14 V C 0.513 176.593 176.094 -0.023 0.000 1.316 14 V CA 0.334 62.612 62.300 -0.037 0.000 1.060 14 V CB 0.222 32.025 31.823 -0.033 0.000 0.820 14 V HN 0.708 nan 8.190 nan 0.000 0.447 15 A N -0.202 122.607 122.820 -0.018 0.000 2.549 15 A HA 0.830 5.150 4.320 0.000 0.000 0.297 15 A C -1.282 176.297 177.584 -0.008 0.000 1.061 15 A CA -0.428 51.602 52.037 -0.011 0.000 0.690 15 A CB 2.314 21.310 19.000 -0.005 0.000 1.287 15 A HN 0.547 nan 8.150 nan 0.000 0.402 16 V N 2.512 122.422 119.914 -0.007 0.000 2.488 16 V HA 0.466 4.586 4.120 0.000 0.000 0.293 16 V C -0.838 175.255 176.094 -0.003 0.000 1.027 16 V CA 0.007 62.304 62.300 -0.004 0.000 0.862 16 V CB 1.252 33.071 31.823 -0.006 0.000 1.008 16 V HN 0.712 nan 8.190 nan 0.000 0.428 17 I N 4.677 125.247 120.570 -0.001 0.000 2.623 17 I HA 0.566 4.736 4.170 0.000 0.000 0.275 17 I C 1.098 177.215 176.117 -0.001 0.000 1.108 17 I CA 0.035 61.335 61.300 -0.001 0.000 1.120 17 I CB 1.192 39.192 38.000 -0.000 0.000 1.249 17 I HN 0.835 nan 8.210 nan 0.000 0.500 18 G N 4.434 113.233 108.800 -0.001 0.000 2.629 18 G HA2 -0.386 3.574 3.960 0.000 0.000 0.313 18 G HA3 -0.386 3.574 3.960 0.000 0.000 0.313 18 G C 0.836 175.736 174.900 0.001 0.000 1.217 18 G CA 0.526 45.626 45.100 -0.001 0.000 0.994 18 G HN 0.770 nan 8.290 nan 0.000 0.549 19 A N -0.458 122.363 122.820 0.001 0.000 2.302 19 A HA 0.607 4.927 4.320 0.000 0.000 0.219 19 A C 0.642 178.230 177.584 0.006 0.000 1.243 19 A CA 1.298 53.337 52.037 0.004 0.000 0.856 19 A CB -0.020 18.981 19.000 0.002 0.000 0.893 19 A HN 1.396 nan 8.150 nan 0.000 0.491 20 V N 0.675 120.592 119.914 0.006 0.000 2.417 20 V HA 0.436 4.556 4.120 0.000 0.000 0.291 20 V C -0.551 175.549 176.094 0.010 0.000 1.024 20 V CA -0.530 61.776 62.300 0.009 0.000 0.861 20 V CB 1.483 33.310 31.823 0.008 0.000 0.985 20 V HN 0.053 nan 8.190 nan 0.000 0.436 21 V N 3.520 123.443 119.914 0.015 0.000 2.531 21 V HA 0.481 4.601 4.120 0.000 0.000 0.301 21 V C -0.864 175.241 176.094 0.018 0.000 1.034 21 V CA -0.710 61.597 62.300 0.012 0.000 0.865 21 V CB 2.108 33.938 31.823 0.011 0.000 0.995 21 V HN 0.811 nan 8.190 nan 0.000 0.424 22 D N 3.228 123.634 120.400 0.011 0.000 2.232 22 D HA 0.557 5.197 4.640 0.000 0.000 0.242 22 D C -0.541 175.761 176.300 0.003 0.000 1.093 22 D CA -0.001 54.008 54.000 0.016 0.000 0.845 22 D CB 2.150 42.956 40.800 0.010 0.000 1.124 22 D HN 0.254 nan 8.370 nan 0.000 0.467 23 V N 2.607 122.535 119.914 0.023 0.000 2.540 23 V HA 0.298 4.418 4.120 0.000 0.000 0.302 23 V C -0.035 176.050 176.094 -0.014 0.000 1.035 23 V CA -0.874 61.409 62.300 -0.027 0.000 0.873 23 V CB 1.893 33.718 31.823 0.003 0.000 0.992 23 V HN 0.401 nan 8.190 nan 0.000 0.428 24 Q N 2.992 122.719 119.800 -0.122 0.000 2.256 24 Q HA 0.639 4.979 4.340 0.000 0.000 0.257 24 Q C -1.879 173.984 176.000 -0.229 0.000 0.936 24 Q CA -0.430 55.331 55.803 -0.070 0.000 0.903 24 Q CB 1.389 30.093 28.738 -0.057 0.000 1.263 24 Q HN 0.618 nan 8.270 nan 0.000 0.440 25 F N 1.908 121.826 119.950 -0.054 0.000 2.520 25 F HA 0.267 4.794 4.527 0.000 0.000 0.322 25 F C 0.623 176.398 175.800 -0.041 0.000 1.103 25 F CA -0.685 57.286 58.000 -0.048 0.000 0.926 25 F CB 1.851 40.814 39.000 -0.060 0.000 1.154 25 F HN 0.637 nan 8.300 nan 0.000 0.453 26 D N 1.135 121.606 120.400 0.120 0.000 2.162 26 D HA -0.041 4.599 4.640 0.000 0.000 0.203 26 D C -0.001 176.342 176.300 0.072 0.000 0.967 26 D CA 1.252 55.292 54.000 0.067 0.000 0.840 26 D CB 0.402 41.222 40.800 0.034 0.000 0.972 26 D HN 0.579 nan 8.370 nan 0.000 0.482 27 E N -0.702 119.557 120.200 0.099 0.000 2.317 27 E HA 0.469 4.819 4.350 0.000 0.000 0.270 27 E C -0.551 176.074 176.600 0.042 0.000 0.885 27 E CA -0.708 55.727 56.400 0.057 0.000 0.760 27 E CB 2.650 32.375 29.700 0.041 0.000 1.227 27 E HN 0.053 nan 8.360 nan 0.000 0.434 28 G N 2.942 111.736 108.800 -0.010 0.000 2.511 28 G HA2 -0.258 3.702 3.960 0.000 0.000 0.175 28 G HA3 -0.258 3.702 3.960 0.000 0.000 0.175 28 G C -0.289 174.496 174.900 -0.192 0.000 0.233 28 G CA -0.048 45.011 45.100 -0.068 0.000 1.033 28 G HN 0.334 nan 8.290 nan 0.000 0.464 29 L N 5.344 126.427 121.223 -0.233 0.000 2.349 29 L HA 0.316 4.656 4.340 0.000 0.000 0.275 29 L C -1.250 175.383 176.870 -0.395 0.000 1.115 29 L CA -1.768 52.806 54.840 -0.444 0.000 0.820 29 L CB 1.237 43.061 42.059 -0.393 0.000 1.135 29 L HN 0.383 nan 8.230 nan 0.000 0.445 30 P HA 0.175 nan 4.420 nan 0.000 0.271 30 P C -2.515 174.772 177.300 -0.023 0.000 1.233 30 P CA -1.317 61.604 63.100 -0.298 0.000 0.764 30 P CB 0.140 31.637 31.700 -0.339 0.000 0.825 31 P HA 0.059 nan 4.420 nan 0.000 0.270 31 P C 0.546 177.879 177.300 0.056 0.000 1.227 31 P CA 0.046 63.192 63.100 0.077 0.000 0.788 31 P CB 0.532 32.217 31.700 -0.025 0.000 0.926 32 I N 2.180 122.708 120.570 -0.071 0.000 2.741 32 I HA -0.131 4.039 4.170 0.000 0.000 0.288 32 I C 1.438 177.493 176.117 -0.104 0.000 1.192 32 I CA 0.782 62.029 61.300 -0.088 0.000 1.426 32 I CB -0.474 37.420 38.000 -0.177 0.000 1.367 32 I HN 0.426 nan 8.210 nan 0.000 0.563 33 L N 2.294 123.455 121.223 -0.104 0.000 3.294 33 L HA -0.206 4.134 4.340 0.000 0.000 0.437 33 L C 0.168 176.987 176.870 -0.084 0.000 0.749 33 L CA -0.014 54.715 54.840 -0.186 0.000 2.510 33 L CB -1.436 40.388 42.059 -0.392 0.000 1.159 33 L HN 0.658 nan 8.230 nan 0.000 0.602 34 N N 1.141 119.821 118.700 -0.034 0.000 2.482 34 N HA 0.537 5.277 4.740 0.000 0.000 0.260 34 N C 0.214 175.739 175.510 0.025 0.000 1.236 34 N CA 0.826 53.874 53.050 -0.004 0.000 0.938 34 N CB 1.012 39.489 38.487 -0.017 0.000 1.128 34 N HN 0.283 nan 8.380 nan 0.000 0.448 35 A N 2.250 125.093 122.820 0.038 0.000 2.260 35 A HA 0.538 4.858 4.320 0.000 0.000 0.308 35 A C -0.439 177.178 177.584 0.055 0.000 1.254 35 A CA -0.565 51.504 52.037 0.052 0.000 0.874 35 A CB -0.075 18.958 19.000 0.055 0.000 1.153 35 A HN 0.604 nan 8.150 nan 0.000 0.527 36 L N 2.308 123.574 121.223 0.072 0.000 2.325 36 L HA 0.516 4.856 4.340 0.000 0.000 0.278 36 L C -0.217 176.693 176.870 0.067 0.000 1.023 36 L CA -0.760 54.138 54.840 0.096 0.000 0.811 36 L CB 1.475 43.622 42.059 0.146 0.000 1.249 36 L HN 0.576 nan 8.230 nan 0.000 0.431 37 E N 2.697 122.932 120.200 0.059 0.000 2.145 37 E HA 0.343 4.693 4.350 0.000 0.000 0.270 37 E C -0.732 175.883 176.600 0.026 0.000 0.906 37 E CA -0.647 55.775 56.400 0.037 0.000 0.761 37 E CB 2.630 32.346 29.700 0.027 0.000 1.116 37 E HN 0.205 nan 8.360 nan 0.000 0.408 38 V N 3.690 123.614 119.914 0.017 0.000 2.614 38 V HA 0.022 4.142 4.120 0.000 0.000 0.291 38 V C 0.571 176.663 176.094 -0.002 0.000 1.049 38 V CA -0.421 61.880 62.300 0.002 0.000 1.038 38 V CB 1.009 32.832 31.823 0.000 0.000 0.980 38 V HN 0.495 nan 8.190 nan 0.000 0.481 39 Q N 2.064 121.858 119.800 -0.011 0.000 2.221 39 Q HA 0.490 4.830 4.340 0.000 0.000 0.242 39 Q C 0.961 176.954 176.000 -0.011 0.000 0.940 39 Q CA 0.259 56.056 55.803 -0.011 0.000 0.896 39 Q CB 1.320 30.049 28.738 -0.016 0.000 1.226 39 Q HN 1.160 nan 8.270 nan 0.000 0.463 40 G N 1.539 110.334 108.800 -0.009 0.000 2.248 40 G HA2 -0.271 3.689 3.960 0.000 0.000 0.263 40 G HA3 -0.271 3.689 3.960 0.000 0.000 0.263 40 G C -0.128 174.768 174.900 -0.006 0.000 1.082 40 G CA 0.219 45.314 45.100 -0.008 0.000 0.863 40 G HN 0.399 nan 8.290 nan 0.000 0.495 41 R N -1.104 119.394 120.500 -0.003 0.000 2.837 41 R HA 0.451 4.791 4.340 0.000 0.000 0.271 41 R C 0.829 177.129 176.300 0.001 0.000 0.993 41 R CA -0.962 55.138 56.100 -0.001 0.000 0.931 41 R CB 1.055 31.355 30.300 0.000 0.000 1.206 41 R HN 0.082 nan 8.270 nan 0.000 0.474 42 E N 0.462 120.663 120.200 0.002 0.000 2.152 42 E HA -0.063 4.287 4.350 0.000 0.000 0.192 42 E C 0.388 176.990 176.600 0.004 0.000 0.983 42 E CA 1.369 57.771 56.400 0.003 0.000 0.818 42 E CB 0.332 30.034 29.700 0.003 0.000 0.758 42 E HN 0.648 nan 8.360 nan 0.000 0.467 43 T N -2.116 112.441 114.554 0.005 0.000 2.907 43 T HA 0.475 4.825 4.350 0.000 0.000 0.292 43 T C -0.079 174.626 174.700 0.008 0.000 1.043 43 T CA -0.926 61.178 62.100 0.007 0.000 1.003 43 T CB 2.494 71.367 68.868 0.008 0.000 1.084 43 T HN -0.157 nan 8.240 nan 0.000 0.483 44 R N 0.746 121.252 120.500 0.011 0.000 2.484 44 R HA 0.343 4.683 4.340 0.000 0.000 0.293 44 R C -1.003 175.306 176.300 0.015 0.000 1.023 44 R CA -0.471 55.637 56.100 0.013 0.000 1.037 44 R CB -0.006 30.304 30.300 0.016 0.000 0.951 44 R HN 0.546 nan 8.270 nan 0.000 0.418 45 L N 5.994 127.226 121.223 0.016 0.000 2.353 45 L HA 0.328 4.668 4.340 0.000 0.000 0.270 45 L C -1.283 175.601 176.870 0.023 0.000 1.003 45 L CA -0.489 54.361 54.840 0.017 0.000 0.862 45 L CB 1.702 43.769 42.059 0.013 0.000 1.221 45 L HN 0.292 nan 8.230 nan 0.000 0.430 46 V N 5.974 125.905 119.914 0.028 0.000 2.481 46 V HA 0.458 4.578 4.120 0.000 0.000 0.286 46 V C 0.136 176.253 176.094 0.039 0.000 1.042 46 V CA -0.500 61.822 62.300 0.036 0.000 0.928 46 V CB 1.562 33.410 31.823 0.040 0.000 0.986 46 V HN 0.579 nan 8.190 nan 0.000 0.462 47 L N 3.999 125.250 121.223 0.047 0.000 2.341 47 L HA 0.595 4.935 4.340 0.000 0.000 0.278 47 L C -0.053 176.852 176.870 0.058 0.000 1.005 47 L CA -0.392 54.478 54.840 0.050 0.000 0.818 47 L CB 1.861 43.952 42.059 0.053 0.000 1.259 47 L HN 0.635 nan 8.230 nan 0.000 0.418 48 E N 2.254 122.487 120.200 0.056 0.000 2.146 48 E HA 0.340 4.690 4.350 0.000 0.000 0.282 48 E C -0.916 175.711 176.600 0.046 0.000 0.989 48 E CA -0.777 55.657 56.400 0.056 0.000 0.799 48 E CB 1.694 31.435 29.700 0.068 0.000 1.088 48 E HN 0.342 nan 8.360 nan 0.000 0.397 49 V N 4.063 124.003 119.914 0.044 0.000 2.599 49 V HA 0.062 4.182 4.120 0.000 0.000 0.300 49 V C 0.921 177.034 176.094 0.031 0.000 1.034 49 V CA 0.962 63.296 62.300 0.056 0.000 1.115 49 V CB 0.875 32.743 31.823 0.075 0.000 0.934 49 V HN 0.904 nan 8.190 nan 0.000 0.485 50 A N 3.910 126.756 122.820 0.044 0.000 2.070 50 A HA 0.344 4.664 4.320 0.000 0.000 0.202 50 A C 0.700 178.296 177.584 0.019 0.000 1.277 50 A CA 0.191 52.238 52.037 0.016 0.000 0.872 50 A CB 0.392 19.403 19.000 0.017 0.000 0.933 50 A HN 0.779 nan 8.150 nan 0.000 0.475 51 Q N -1.173 118.670 119.800 0.072 0.000 2.511 51 Q HA 0.401 4.741 4.340 0.000 0.000 0.289 51 Q C -1.664 174.483 176.000 0.245 0.000 1.021 51 Q CA -0.633 55.220 55.803 0.083 0.000 0.785 51 Q CB 1.836 30.606 28.738 0.054 0.000 1.472 51 Q HN 0.617 nan 8.270 nan 0.000 0.411 52 H N 1.438 120.504 119.070 -0.008 0.000 2.595 52 H HA 0.276 4.832 4.556 0.000 0.000 0.313 52 H C 0.412 175.742 175.328 0.004 0.000 1.023 52 H CA -0.313 55.734 56.048 -0.002 0.000 1.218 52 H CB 1.124 30.878 29.762 -0.013 0.000 1.403 52 H HN 0.408 nan 8.280 nan 0.000 0.477 53 L N 2.781 124.065 121.223 0.102 0.000 2.492 53 L HA 0.162 4.502 4.340 0.000 0.000 0.223 53 L C 1.155 178.053 176.870 0.047 0.000 1.132 53 L CA 0.484 55.360 54.840 0.060 0.000 0.850 53 L CB -0.044 42.039 42.059 0.040 0.000 0.966 53 L HN 0.900 nan 8.230 nan 0.000 0.454 54 G N 0.103 108.932 108.800 0.048 0.000 2.612 54 G HA2 -0.164 3.796 3.960 0.000 0.000 0.686 54 G HA3 -0.164 3.796 3.960 0.000 0.000 0.686 54 G C -0.003 174.907 174.900 0.017 0.000 1.274 54 G CA -0.468 44.651 45.100 0.032 0.000 0.849 54 G HN 0.298 nan 8.290 nan 0.000 0.595 55 E N -0.925 119.282 120.200 0.013 0.000 2.440 55 E HA -0.218 4.132 4.350 0.000 0.000 0.246 55 E C 1.042 177.646 176.600 0.008 0.000 1.165 55 E CA 1.102 57.508 56.400 0.009 0.000 0.726 55 E CB -1.460 28.245 29.700 0.008 0.000 1.271 55 E HN 1.959 nan 8.360 nan 0.000 0.397 56 S N -1.823 113.879 115.700 0.002 0.000 3.445 56 S HA -0.204 4.266 4.470 0.000 0.000 0.319 56 S C 0.113 174.726 174.600 0.021 0.000 1.209 56 S CA 1.524 59.726 58.200 0.003 0.000 0.934 56 S CB -0.795 62.421 63.200 0.027 0.000 0.999 56 S HN 0.460 nan 8.310 nan 0.000 0.582 57 T N 1.423 115.980 114.554 0.004 0.000 2.829 57 T HA 0.619 4.969 4.350 0.000 0.000 0.280 57 T C 0.162 174.864 174.700 0.003 0.000 0.999 57 T CA -0.309 61.807 62.100 0.025 0.000 0.983 57 T CB 1.837 70.715 68.868 0.017 0.000 0.968 57 T HN 0.478 nan 8.240 nan 0.000 0.446 58 V N 1.489 121.427 119.914 0.040 0.000 2.581 58 V HA 0.756 4.876 4.120 0.000 0.000 0.303 58 V C -0.183 175.952 176.094 0.069 0.000 1.041 58 V CA -1.327 60.995 62.300 0.037 0.000 0.907 58 V CB 1.513 33.348 31.823 0.021 0.000 0.994 58 V HN 0.861 nan 8.190 nan 0.000 0.442 59 R N 2.862 123.408 120.500 0.075 0.000 2.312 59 R HA 0.725 5.065 4.340 0.000 0.000 0.311 59 R C -0.042 176.294 176.300 0.060 0.000 1.004 59 R CA 0.368 56.502 56.100 0.057 0.000 0.902 59 R CB 1.375 31.702 30.300 0.045 0.000 1.073 59 R HN 1.151 nan 8.270 nan 0.000 0.457 60 T N 1.971 116.555 114.554 0.050 0.000 2.916 60 T HA 0.529 4.879 4.350 0.000 0.000 0.292 60 T C 0.119 174.840 174.700 0.035 0.000 1.064 60 T CA -1.055 61.075 62.100 0.049 0.000 1.011 60 T CB 1.140 70.043 68.868 0.059 0.000 1.152 60 T HN 0.616 nan 8.240 nan 0.000 0.510 61 I N -0.149 120.441 120.570 0.034 0.000 2.378 61 I HA 0.821 4.991 4.170 0.000 0.000 0.291 61 I C 0.101 176.235 176.117 0.030 0.000 0.992 61 I CA -1.387 59.929 61.300 0.026 0.000 1.154 61 I CB 1.197 39.210 38.000 0.022 0.000 1.315 61 I HN 0.889 nan 8.210 nan 0.000 0.448 62 A N 7.105 129.939 122.820 0.023 0.000 2.388 62 A HA 0.482 4.802 4.320 0.000 0.000 0.257 62 A C 0.742 178.341 177.584 0.024 0.000 1.095 62 A CA -0.519 51.532 52.037 0.023 0.000 0.791 62 A CB 0.612 19.622 19.000 0.017 0.000 1.029 62 A HN 0.885 nan 8.150 nan 0.000 0.489 63 M N 0.868 120.484 119.600 0.027 0.000 2.431 63 M HA 0.202 4.682 4.480 0.000 0.000 0.237 63 M C -0.137 176.176 176.300 0.022 0.000 1.130 63 M CA 0.540 55.856 55.300 0.027 0.000 1.002 63 M CB -0.982 31.637 32.600 0.033 0.000 1.524 63 M HN 0.791 nan 8.290 nan 0.000 0.482 64 D N -1.067 119.344 120.400 0.018 0.000 2.692 64 D HA 0.435 5.075 4.640 0.000 0.000 0.303 64 D C -0.550 175.757 176.300 0.011 0.000 1.278 64 D CA -0.173 53.836 54.000 0.015 0.000 0.852 64 D CB 1.273 42.082 40.800 0.015 0.000 1.375 64 D HN 0.128 nan 8.370 nan 0.000 0.453 65 G N -1.049 107.757 108.800 0.009 0.000 2.630 65 G HA2 0.351 4.311 3.960 0.000 0.000 0.236 65 G HA3 0.351 4.311 3.960 0.000 0.000 0.236 65 G C 0.760 175.663 174.900 0.006 0.000 1.248 65 G CA 0.727 45.831 45.100 0.007 0.000 0.844 65 G HN 0.424 nan 8.290 nan 0.000 0.588 66 T N -2.173 112.383 114.554 0.004 0.000 3.040 66 T HA 0.175 4.525 4.350 0.000 0.000 0.266 66 T C 0.637 175.337 174.700 0.000 0.000 1.005 66 T CA 0.060 62.161 62.100 0.002 0.000 0.906 66 T CB 0.114 68.984 68.868 0.002 0.000 1.082 66 T HN 0.642 nan 8.240 nan 0.000 0.531 67 E N 1.956 122.156 120.200 0.000 0.000 2.442 67 E HA 0.311 4.661 4.350 0.000 0.000 0.262 67 E C 1.232 177.831 176.600 -0.002 0.000 1.004 67 E CA 0.747 57.147 56.400 -0.001 0.000 0.928 67 E CB 0.047 29.747 29.700 0.000 0.000 0.937 67 E HN 0.531 nan 8.360 nan 0.000 0.446 68 G N 2.440 111.238 108.800 -0.003 0.000 2.217 68 G HA2 -0.282 3.678 3.960 0.000 0.000 0.246 68 G HA3 -0.282 3.678 3.960 0.000 0.000 0.246 68 G C 0.367 175.263 174.900 -0.007 0.000 0.990 68 G CA 0.169 45.266 45.100 -0.004 0.000 0.627 68 G HN 0.492 nan 8.290 nan 0.000 0.522 69 L N 1.044 122.263 121.223 -0.007 0.000 2.485 69 L HA 0.419 4.759 4.340 0.000 0.000 0.275 69 L C 0.686 177.548 176.870 -0.013 0.000 1.207 69 L CA -0.074 54.760 54.840 -0.010 0.000 0.855 69 L CB 1.008 43.061 42.059 -0.010 0.000 1.114 69 L HN 0.027 nan 8.230 nan 0.000 0.485 70 V N 3.734 123.638 119.914 -0.017 0.000 2.715 70 V HA 0.366 4.486 4.120 0.000 0.000 0.310 70 V C 0.187 176.266 176.094 -0.025 0.000 1.054 70 V CA -0.911 61.378 62.300 -0.019 0.000 0.928 70 V CB 1.967 33.779 31.823 -0.018 0.000 1.007 70 V HN 0.660 nan 8.190 nan 0.000 0.437 71 R N 2.169 122.654 120.500 -0.024 0.000 2.421 71 R HA 0.438 4.778 4.340 0.000 0.000 0.305 71 R C 1.194 177.473 176.300 -0.036 0.000 1.039 71 R CA 1.058 57.140 56.100 -0.030 0.000 1.003 71 R CB 0.233 30.518 30.300 -0.025 0.000 0.959 71 R HN 1.166 nan 8.270 nan 0.000 0.427 72 G N 1.980 110.751 108.800 -0.048 0.000 2.253 72 G HA2 -0.270 3.690 3.960 0.000 0.000 0.209 72 G HA3 -0.270 3.690 3.960 0.000 0.000 0.209 72 G C 0.144 175.008 174.900 -0.059 0.000 0.997 72 G CA -0.377 44.691 45.100 -0.053 0.000 0.640 72 G HN 0.569 nan 8.290 nan 0.000 0.496 73 Q N 1.536 121.304 119.800 -0.054 0.000 2.330 73 Q HA 0.409 4.749 4.340 0.000 0.000 0.279 73 Q C 0.385 176.340 176.000 -0.075 0.000 1.024 73 Q CA 0.247 56.018 55.803 -0.053 0.000 0.900 73 Q CB 0.320 29.035 28.738 -0.039 0.000 1.221 73 Q HN 0.428 nan 8.270 nan 0.000 0.396 74 K N 1.710 122.069 120.400 -0.069 0.000 2.295 74 K HA 0.317 4.637 4.320 0.000 0.000 0.270 74 K C -1.110 175.442 176.600 -0.081 0.000 1.011 74 K CA -0.286 55.949 56.287 -0.086 0.000 0.953 74 K CB 1.050 33.513 32.500 -0.062 0.000 0.956 74 K HN 0.335 nan 8.250 nan 0.000 0.477 75 V N 4.280 124.127 119.914 -0.113 0.000 2.655 75 V HA 0.247 4.367 4.120 0.000 0.000 0.301 75 V C -0.652 175.431 176.094 -0.017 0.000 1.082 75 V CA -0.864 61.394 62.300 -0.070 0.000 0.899 75 V CB 1.538 33.299 31.823 -0.103 0.000 1.014 75 V HN 0.591 nan 8.190 nan 0.000 0.429 76 L N 3.018 124.271 121.223 0.049 0.000 2.325 76 L HA 0.549 4.889 4.340 0.000 0.000 0.279 76 L C -0.170 176.796 176.870 0.161 0.000 1.054 76 L CA -0.441 54.461 54.840 0.103 0.000 0.804 76 L CB 1.578 43.672 42.059 0.059 0.000 1.200 76 L HN 0.610 nan 8.230 nan 0.000 0.436 77 D N 1.001 121.526 120.400 0.208 0.000 2.325 77 D HA 0.038 4.678 4.640 0.000 0.000 0.251 77 D C 1.127 177.456 176.300 0.048 0.000 1.196 77 D CA -0.195 53.873 54.000 0.114 0.000 0.866 77 D CB 1.427 42.238 40.800 0.019 0.000 1.101 77 D HN 0.545 nan 8.370 nan 0.000 0.476 78 S N 2.778 118.497 115.700 0.032 0.000 2.507 78 S HA 0.038 4.508 4.470 0.000 0.000 0.235 78 S C 1.769 176.365 174.600 -0.007 0.000 0.988 78 S CA 0.606 58.812 58.200 0.010 0.000 0.944 78 S CB -0.387 62.819 63.200 0.011 0.000 0.762 78 S HN 0.923 nan 8.310 nan 0.000 0.526 79 G N 0.203 108.995 108.800 -0.014 0.000 2.179 79 G HA2 0.065 4.025 3.960 0.000 0.000 0.260 79 G HA3 0.065 4.025 3.960 0.000 0.000 0.260 79 G C 0.168 175.056 174.900 -0.019 0.000 0.977 79 G CA -0.015 45.070 45.100 -0.025 0.000 0.641 79 G HN 1.666 nan 8.290 nan 0.000 0.533 80 A N -0.944 121.871 122.820 -0.008 0.000 2.586 80 A HA 0.895 5.216 4.320 0.000 0.000 0.290 80 A C -2.877 174.720 177.584 0.021 0.000 1.086 80 A CA -0.467 51.573 52.037 0.004 0.000 0.665 80 A CB 1.205 20.209 19.000 0.007 0.000 1.279 80 A HN 0.197 nan 8.150 nan 0.000 0.423 81 P HA 0.324 nan 4.420 nan 0.000 0.274 81 P C -0.202 177.156 177.300 0.096 0.000 1.260 81 P CA -0.160 62.988 63.100 0.080 0.000 0.793 81 P CB 0.188 31.967 31.700 0.132 0.000 1.048 82 I N 0.646 121.290 120.570 0.124 0.000 2.821 82 I HA -0.095 4.075 4.170 0.000 0.000 0.294 82 I C 1.289 177.457 176.117 0.085 0.000 1.210 82 I CA 0.991 62.347 61.300 0.094 0.000 1.430 82 I CB -0.269 37.784 38.000 0.088 0.000 1.356 82 I HN 0.129 nan 8.210 nan 0.000 0.563 83 R N 7.242 127.794 120.500 0.088 0.000 2.637 83 R HA 0.757 5.097 4.340 0.000 0.000 0.291 83 R C -0.740 175.660 176.300 0.166 0.000 0.963 83 R CA -0.854 55.320 56.100 0.123 0.000 0.901 83 R CB 2.162 32.545 30.300 0.138 0.000 1.160 83 R HN 0.596 nan 8.270 nan 0.000 0.457 84 I N -1.481 119.167 120.570 0.129 0.000 2.934 84 I HA 0.611 4.781 4.170 0.000 0.000 0.306 84 I C -2.695 173.328 176.117 -0.157 0.000 1.110 84 I CA -3.334 57.987 61.300 0.035 0.000 1.019 84 I CB 2.398 40.380 38.000 -0.030 0.000 1.227 84 I HN 0.308 nan 8.210 nan 0.000 0.434 85 P HA 0.181 nan 4.420 nan 0.000 0.267 85 P C -0.750 176.263 177.300 -0.478 0.000 1.205 85 P CA -0.086 62.603 63.100 -0.684 0.000 0.765 85 P CB 0.778 32.159 31.700 -0.531 0.000 0.828 86 V N 0.641 120.216 119.914 -0.564 0.000 2.876 86 V HA 1.030 5.150 4.120 0.000 0.000 0.312 86 V C -0.001 175.478 176.094 -1.024 0.000 1.085 86 V CA -0.309 61.599 62.300 -0.653 0.000 0.945 86 V CB 1.557 33.074 31.823 -0.511 0.000 1.017 86 V HN 0.924 nan 8.190 nan 0.000 0.428 87 G N 3.141 111.120 108.800 -1.368 0.000 2.353 87 G HA2 0.199 4.159 3.960 0.000 0.000 0.424 87 G HA3 0.199 4.159 3.960 0.000 0.000 0.424 87 G C -2.540 172.107 174.900 -0.421 0.000 1.320 87 G CA 0.002 44.376 45.100 -1.210 0.000 0.995 87 G HN 0.662 nan 8.290 nan 0.000 0.580 88 P HA -0.047 nan 4.420 nan 0.000 0.219 88 P C 1.122 178.424 177.300 0.004 0.000 1.146 88 P CA 1.532 64.700 63.100 0.114 0.000 0.808 88 P CB 0.128 31.908 31.700 0.132 0.000 0.779 89 E N -0.326 119.829 120.200 -0.074 0.000 2.401 89 E HA -0.104 4.246 4.350 0.000 0.000 0.199 89 E C 1.898 178.445 176.600 -0.088 0.000 1.023 89 E CA 1.592 57.943 56.400 -0.082 0.000 0.859 89 E CB -1.081 28.554 29.700 -0.108 0.000 0.780 89 E HN 0.455 nan 8.360 nan 0.000 0.523 90 T N -1.783 112.717 114.554 -0.089 0.000 3.067 90 T HA 0.044 4.394 4.350 0.000 0.000 0.261 90 T C 0.851 175.536 174.700 -0.025 0.000 1.110 90 T CA -0.078 61.980 62.100 -0.071 0.000 1.113 90 T CB -0.142 68.681 68.868 -0.076 0.000 0.917 90 T HN -0.007 nan 8.240 nan 0.000 0.499 91 L N 1.974 123.187 121.223 -0.015 0.000 2.513 91 L HA 0.411 4.751 4.340 0.000 0.000 0.272 91 L C 1.682 178.530 176.870 -0.036 0.000 1.187 91 L CA 0.849 55.652 54.840 -0.061 0.000 0.895 91 L CB 0.100 42.070 42.059 -0.149 0.000 1.147 91 L HN 0.574 nan 8.230 nan 0.000 0.483 92 G N 2.097 110.885 108.800 -0.020 0.000 2.184 92 G HA2 -0.226 3.734 3.960 0.000 0.000 0.264 92 G HA3 -0.226 3.734 3.960 0.000 0.000 0.264 92 G C 0.367 175.291 174.900 0.039 0.000 0.975 92 G CA -0.244 44.867 45.100 0.018 0.000 0.642 92 G HN 0.485 nan 8.290 nan 0.000 0.536 93 R N -0.291 120.199 120.500 -0.016 0.000 2.674 93 R HA 0.751 5.091 4.340 0.000 0.000 0.266 93 R C 0.349 176.560 176.300 -0.148 0.000 1.016 93 R CA -0.979 55.084 56.100 -0.060 0.000 1.062 93 R CB 0.781 31.036 30.300 -0.075 0.000 1.142 93 R HN 0.295 nan 8.270 nan 0.000 0.517 94 I N 2.063 122.480 120.570 -0.255 0.000 2.378 94 I HA 0.427 4.597 4.170 0.000 0.000 0.291 94 I C 0.349 176.302 176.117 -0.275 0.000 0.992 94 I CA -0.478 60.586 61.300 -0.392 0.000 1.154 94 I CB 1.541 39.157 38.000 -0.639 0.000 1.315 94 I HN 0.309 nan 8.210 nan 0.000 0.448 95 M N 6.438 125.891 119.600 -0.245 0.000 2.591 95 M HA 0.507 4.987 4.480 0.000 0.000 0.306 95 M C -1.284 174.955 176.300 -0.102 0.000 1.190 95 M CA -0.562 54.652 55.300 -0.143 0.000 0.889 95 M CB 2.261 34.795 32.600 -0.110 0.000 1.728 95 M HN 0.656 nan 8.290 nan 0.000 0.458 96 N N 2.067 120.738 118.700 -0.048 0.000 2.538 96 N HA 0.193 4.933 4.740 0.000 0.000 0.292 96 N C 0.395 175.906 175.510 0.001 0.000 1.262 96 N CA -0.682 52.367 53.050 -0.000 0.000 0.976 96 N CB 0.409 38.905 38.487 0.014 0.000 1.161 96 N HN 0.547 nan 8.380 nan 0.000 0.598 97 V N -0.208 119.716 119.914 0.018 0.000 2.392 97 V HA -0.143 3.977 4.120 0.000 0.000 0.249 97 V C 1.542 177.642 176.094 0.009 0.000 1.059 97 V CA 1.899 64.207 62.300 0.013 0.000 1.051 97 V CB -0.821 31.015 31.823 0.023 0.000 0.658 97 V HN 0.667 nan 8.190 nan 0.000 0.455 98 I N -1.827 118.752 120.570 0.016 0.000 3.806 98 I HA 0.524 4.694 4.170 0.000 0.000 0.321 98 I C 1.293 177.424 176.117 0.022 0.000 1.315 98 I CA 0.533 61.847 61.300 0.024 0.000 1.148 98 I CB -0.507 37.512 38.000 0.032 0.000 1.028 98 I HN 0.314 nan 8.210 nan 0.000 0.415 99 G N 1.080 109.880 108.800 0.001 0.000 2.143 99 G HA2 -0.265 3.695 3.960 0.000 0.000 0.248 99 G HA3 -0.265 3.695 3.960 0.000 0.000 0.248 99 G C -0.130 174.759 174.900 -0.019 0.000 0.991 99 G CA 0.091 45.182 45.100 -0.016 0.000 0.689 99 G HN 0.667 nan 8.290 nan 0.000 0.522 100 E N 1.350 121.543 120.200 -0.012 0.000 2.301 100 E HA 0.391 4.741 4.350 0.000 0.000 0.275 100 E C -2.233 174.342 176.600 -0.041 0.000 1.030 100 E CA -1.998 54.394 56.400 -0.014 0.000 0.852 100 E CB 1.303 31.002 29.700 -0.002 0.000 1.060 100 E HN 0.154 nan 8.360 nan 0.000 0.401 101 P HA -0.009 nan 4.420 nan 0.000 0.267 101 P C 0.071 177.330 177.300 -0.068 0.000 1.205 101 P CA 0.536 63.594 63.100 -0.069 0.000 0.765 101 P CB 0.223 31.890 31.700 -0.055 0.000 0.828 102 I N -0.344 120.163 120.570 -0.105 0.000 4.050 102 I HA 0.218 4.388 4.170 0.000 0.000 0.327 102 I C 0.405 176.442 176.117 -0.134 0.000 1.473 102 I CA -0.211 61.035 61.300 -0.090 0.000 1.124 102 I CB 0.041 38.003 38.000 -0.064 0.000 1.129 102 I HN 0.023 nan 8.210 nan 0.000 0.428 103 D N 0.779 121.075 120.400 -0.173 0.000 2.349 103 D HA -0.025 4.615 4.640 0.000 0.000 0.214 103 D C 0.505 176.758 176.300 -0.077 0.000 1.063 103 D CA 0.044 53.916 54.000 -0.213 0.000 0.847 103 D CB -0.257 40.359 40.800 -0.307 0.000 0.933 103 D HN 0.514 nan 8.370 nan 0.000 0.513 104 E N -0.517 119.654 120.200 -0.048 0.000 2.791 104 E HA -0.261 4.089 4.350 0.000 0.000 0.271 104 E C 0.243 176.844 176.600 0.002 0.000 1.044 104 E CA 0.320 56.712 56.400 -0.013 0.000 0.814 104 E CB -1.447 28.257 29.700 0.005 0.000 1.400 104 E HN 0.418 nan 8.360 nan 0.000 0.423 105 R N 0.252 120.749 120.500 -0.005 0.000 2.552 105 R HA 0.285 4.625 4.340 0.000 0.000 0.314 105 R C 0.902 177.202 176.300 -0.001 0.000 1.041 105 R CA 0.377 56.482 56.100 0.008 0.000 1.076 105 R CB 0.958 31.270 30.300 0.020 0.000 1.290 105 R HN 0.324 nan 8.270 nan 0.000 0.563 106 G N 1.859 110.656 108.800 -0.006 0.000 2.741 106 G HA2 -0.233 3.727 3.960 0.000 0.000 0.222 106 G HA3 -0.233 3.727 3.960 0.000 0.000 0.222 106 G C -2.424 172.468 174.900 -0.013 0.000 1.364 106 G CA -1.257 43.840 45.100 -0.006 0.000 0.866 106 G HN 0.062 nan 8.290 nan 0.000 0.555 107 P HA 0.300 nan 4.420 nan 0.000 0.267 107 P C 0.216 177.500 177.300 -0.025 0.000 1.201 107 P CA 0.103 63.198 63.100 -0.008 0.000 0.775 107 P CB 0.256 31.959 31.700 0.005 0.000 0.854 108 I N 2.507 123.053 120.570 -0.041 0.000 2.313 108 I HA 0.143 4.313 4.170 0.000 0.000 0.286 108 I C 0.705 176.766 176.117 -0.093 0.000 1.091 108 I CA -0.392 60.861 61.300 -0.078 0.000 1.216 108 I CB 0.109 38.042 38.000 -0.111 0.000 1.434 108 I HN 0.130 nan 8.210 nan 0.000 0.487 109 K N 4.844 125.204 120.400 -0.068 0.000 2.715 109 K HA 0.091 4.411 4.320 0.000 0.000 0.248 109 K C 0.718 177.262 176.600 -0.093 0.000 1.276 109 K CA -0.175 56.080 56.287 -0.053 0.000 1.209 109 K CB -0.420 32.066 32.500 -0.024 0.000 1.509 109 K HN 0.606 nan 8.250 nan 0.000 0.261 110 T N -2.287 112.155 114.554 -0.186 0.000 2.754 110 T HA 0.147 4.497 4.350 0.000 0.000 0.286 110 T C 1.008 175.623 174.700 -0.142 0.000 0.997 110 T CA -0.579 61.378 62.100 -0.238 0.000 0.982 110 T CB 1.229 69.835 68.868 -0.436 0.000 1.027 110 T HN 0.210 nan 8.240 nan 0.000 0.529 111 K N -0.074 120.254 120.400 -0.120 0.000 2.352 111 K HA 0.157 4.477 4.320 0.000 0.000 0.194 111 K C 0.473 177.099 176.600 0.044 0.000 1.038 111 K CA 0.340 56.621 56.287 -0.010 0.000 1.023 111 K CB 0.283 32.784 32.500 0.002 0.000 0.840 111 K HN 0.529 nan 8.250 nan 0.000 0.519 112 Q N -1.132 118.621 119.800 -0.079 0.000 2.668 112 Q HA 0.551 4.891 4.340 0.000 0.000 0.298 112 Q C -1.112 174.787 176.000 -0.168 0.000 1.071 112 Q CA -0.657 55.177 55.803 0.052 0.000 0.789 112 Q CB 1.630 30.371 28.738 0.005 0.000 1.497 112 Q HN -0.072 nan 8.270 nan 0.000 0.460 113 F N -0.572 119.338 119.950 -0.068 0.000 2.613 113 F HA 0.865 5.392 4.527 0.000 0.000 0.310 113 F C -0.827 174.950 175.800 -0.039 0.000 1.085 113 F CA -1.161 56.801 58.000 -0.062 0.000 0.945 113 F CB 2.158 41.133 39.000 -0.042 0.000 1.298 113 F HN 0.536 nan 8.300 nan 0.000 0.455 114 A N 1.175 124.064 122.820 0.115 0.000 2.449 114 A HA 0.856 5.176 4.320 0.000 0.000 0.302 114 A C -1.159 176.465 177.584 0.066 0.000 1.048 114 A CA -0.732 51.347 52.037 0.070 0.000 0.708 114 A CB 1.210 20.224 19.000 0.023 0.000 1.274 114 A HN 1.059 nan 8.150 nan 0.000 0.410 115 A N 1.310 124.168 122.820 0.063 0.000 2.440 115 A HA 0.478 4.798 4.320 0.000 0.000 0.251 115 A C 1.053 178.658 177.584 0.035 0.000 1.089 115 A CA 0.164 52.242 52.037 0.067 0.000 0.779 115 A CB -0.358 18.690 19.000 0.079 0.000 1.022 115 A HN 1.649 nan 8.150 nan 0.000 0.492 116 I N -0.658 119.916 120.570 0.006 0.000 3.251 116 I HA 0.071 4.241 4.170 0.000 0.000 0.277 116 I C 0.082 176.071 176.117 -0.214 0.000 1.268 116 I CA 0.300 61.532 61.300 -0.113 0.000 1.449 116 I CB -0.314 37.585 38.000 -0.169 0.000 1.083 116 I HN 0.493 nan 8.210 nan 0.000 0.464 117 H N 2.785 121.866 119.070 0.018 0.000 2.517 117 H HA 0.768 5.324 4.556 0.000 0.000 0.317 117 H C -0.552 174.783 175.328 0.012 0.000 1.080 117 H CA -0.202 55.856 56.048 0.016 0.000 1.301 117 H CB 1.642 31.413 29.762 0.016 0.000 1.425 117 H HN 0.403 nan 8.280 nan 0.000 0.471 118 A N 3.696 126.575 122.820 0.099 0.000 2.566 118 A HA 0.308 4.628 4.320 0.000 0.000 0.297 118 A C -0.412 177.201 177.584 0.048 0.000 1.059 118 A CA -0.997 51.075 52.037 0.060 0.000 0.691 118 A CB 1.635 20.653 19.000 0.030 0.000 1.282 118 A HN 0.587 nan 8.150 nan 0.000 0.401 119 E N 0.948 121.173 120.200 0.040 0.000 2.392 119 E HA 0.468 4.818 4.350 0.000 0.000 0.259 119 E C 0.574 177.189 176.600 0.025 0.000 1.108 119 E CA 0.082 56.502 56.400 0.034 0.000 0.916 119 E CB 0.988 30.707 29.700 0.031 0.000 0.989 119 E HN 0.829 nan 8.360 nan 0.000 0.432 120 A N 2.666 125.501 122.820 0.025 0.000 2.332 120 A HA 0.379 4.699 4.320 0.000 0.000 0.258 120 A C -2.055 175.539 177.584 0.018 0.000 1.087 120 A CA -1.240 50.808 52.037 0.017 0.000 0.802 120 A CB -0.585 18.429 19.000 0.024 0.000 1.042 120 A HN 0.344 nan 8.150 nan 0.000 0.489 121 P HA 0.035 nan 4.420 nan 0.000 0.263 121 P C -0.174 177.135 177.300 0.015 0.000 1.175 121 P CA 0.286 63.387 63.100 0.001 0.000 0.761 121 P CB 0.287 31.976 31.700 -0.019 0.000 0.794 122 E N 1.610 121.824 120.200 0.024 0.000 2.410 122 E HA -0.024 4.326 4.350 0.000 0.000 0.255 122 E C 0.950 177.589 176.600 0.065 0.000 1.194 122 E CA -0.313 56.124 56.400 0.061 0.000 0.955 122 E CB -0.015 29.724 29.700 0.064 0.000 0.988 122 E HN 0.401 nan 8.360 nan 0.000 0.461 123 F N 1.644 121.594 119.950 0.001 0.000 2.147 123 F HA -0.256 4.271 4.527 0.000 0.000 0.301 123 F C 1.824 177.623 175.800 -0.001 0.000 1.084 123 F CA 1.959 59.959 58.000 0.001 0.000 1.268 123 F CB -0.069 38.931 39.000 0.001 0.000 1.009 123 F HN 0.268 nan 8.300 nan 0.000 0.486 124 V N -2.383 117.501 119.914 -0.050 0.000 3.129 124 V HA -0.030 4.090 4.120 0.000 0.000 0.259 124 V C 1.406 177.423 176.094 -0.128 0.000 1.116 124 V CA 1.423 63.659 62.300 -0.107 0.000 1.127 124 V CB -0.717 31.121 31.823 0.026 0.000 0.742 124 V HN 0.397 nan 8.190 nan 0.000 0.474 125 E N 0.796 120.936 120.200 -0.101 0.000 2.502 125 E HA 0.230 4.580 4.350 0.000 0.000 0.194 125 E C 0.396 176.938 176.600 -0.096 0.000 1.062 125 E CA 0.273 56.627 56.400 -0.076 0.000 0.867 125 E CB -0.025 29.650 29.700 -0.042 0.000 0.888 125 E HN 0.647 nan 8.360 nan 0.000 0.510 130 Q N 0.392 120.174 119.800 -0.030 0.000 2.345 130 Q HA 0.545 4.885 4.340 0.000 0.000 0.275 130 Q C -1.185 174.797 176.000 -0.029 0.000 1.063 130 Q CA -0.664 55.121 55.803 -0.029 0.000 0.819 130 Q CB 3.266 31.990 28.738 -0.024 0.000 1.356 130 Q HN 0.386 nan 8.270 nan 0.000 0.418 131 E N 1.551 121.732 120.200 -0.031 0.000 2.437 131 E HA 0.641 4.991 4.350 0.000 0.000 0.253 131 E C -1.552 175.040 176.600 -0.013 0.000 0.905 131 E CA -0.922 55.462 56.400 -0.027 0.000 0.871 131 E CB 2.394 32.065 29.700 -0.049 0.000 1.649 131 E HN 0.565 nan 8.360 nan 0.000 0.422 132 I N 1.862 122.437 120.570 0.008 0.000 2.619 132 I HA 0.370 4.540 4.170 0.000 0.000 0.292 132 I C -1.728 174.444 176.117 0.092 0.000 1.100 132 I CA -0.790 60.533 61.300 0.039 0.000 1.043 132 I CB 1.610 39.623 38.000 0.022 0.000 1.239 132 I HN 0.453 nan 8.210 nan 0.000 0.420 133 L N 8.480 129.770 121.223 0.112 0.000 2.283 133 L HA 0.443 4.783 4.340 0.000 0.000 0.281 133 L C -0.867 176.072 176.870 0.115 0.000 1.033 133 L CA -0.721 54.222 54.840 0.171 0.000 0.848 133 L CB 1.413 43.565 42.059 0.154 0.000 1.226 133 L HN 0.417 nan 8.230 nan 0.000 0.429 134 V N 4.053 124.033 119.914 0.110 0.000 2.450 134 V HA -0.013 4.107 4.120 0.000 0.000 0.281 134 V C 1.520 177.611 176.094 -0.004 0.000 1.019 134 V CA 0.708 63.031 62.300 0.039 0.000 1.062 134 V CB 0.978 32.819 31.823 0.031 0.000 0.979 134 V HN 0.928 nan 8.190 nan 0.000 0.477 135 T N 0.637 115.153 114.554 -0.064 0.000 3.035 135 T HA 0.184 4.534 4.350 0.000 0.000 0.259 135 T C 1.498 176.153 174.700 -0.075 0.000 1.078 135 T CA 0.733 62.775 62.100 -0.097 0.000 1.132 135 T CB 0.170 68.907 68.868 -0.218 0.000 0.900 135 T HN 1.501 nan 8.240 nan 0.000 0.480 136 G N 1.473 110.243 108.800 -0.050 0.000 2.136 136 G HA2 -0.183 3.777 3.960 0.000 0.000 0.242 136 G HA3 -0.183 3.777 3.960 0.000 0.000 0.242 136 G C -0.016 174.865 174.900 -0.031 0.000 0.989 136 G CA 0.139 45.217 45.100 -0.036 0.000 0.682 136 G HN 0.663 nan 8.290 nan 0.000 0.522 137 I N 0.346 120.896 120.570 -0.033 0.000 2.390 137 I HA 0.263 4.433 4.170 0.000 0.000 0.283 137 I C 1.385 177.516 176.117 0.023 0.000 1.016 137 I CA -0.913 60.401 61.300 0.023 0.000 1.151 137 I CB 1.384 39.394 38.000 0.017 0.000 1.293 137 I HN -0.018 nan 8.210 nan 0.000 0.458 138 K N 3.172 123.591 120.400 0.032 0.000 2.034 138 K HA -0.199 4.121 4.320 0.000 0.000 0.214 138 K C 1.844 178.451 176.600 0.012 0.000 1.051 138 K CA 1.411 57.721 56.287 0.038 0.000 0.931 138 K CB -0.120 32.395 32.500 0.025 0.000 0.715 138 K HN 0.539 nan 8.250 nan 0.000 0.446 139 V N 0.620 120.545 119.914 0.017 0.000 2.407 139 V HA -0.216 3.905 4.120 0.000 0.000 0.248 139 V C 1.900 177.980 176.094 -0.024 0.000 1.055 139 V CA 1.639 63.923 62.300 -0.027 0.000 1.049 139 V CB -0.004 31.832 31.823 0.021 0.000 0.662 139 V HN 0.164 nan 8.190 nan 0.000 0.455 140 V N 0.156 120.070 119.914 0.000 0.000 2.273 140 V HA -0.139 3.981 4.120 0.000 0.000 0.242 140 V C 2.352 178.436 176.094 -0.017 0.000 1.035 140 V CA 2.236 64.525 62.300 -0.018 0.000 1.013 140 V CB -0.770 30.983 31.823 -0.115 0.000 0.652 140 V HN 0.536 nan 8.190 nan 0.000 0.452 141 D N -0.084 120.299 120.400 -0.028 0.000 2.221 141 D HA -0.155 4.485 4.640 0.000 0.000 0.204 141 D C 1.845 178.209 176.300 0.108 0.000 0.982 141 D CA 1.236 55.266 54.000 0.050 0.000 0.857 141 D CB -0.059 40.763 40.800 0.036 0.000 0.934 141 D HN 0.377 nan 8.370 nan 0.000 0.475 142 L N -0.304 120.892 121.223 -0.045 0.000 2.071 142 L HA 0.036 4.376 4.340 0.000 0.000 0.201 142 L C 2.016 178.836 176.870 -0.084 0.000 1.076 142 L CA 1.201 55.913 54.840 -0.213 0.000 0.755 142 L CB -0.235 41.606 42.059 -0.363 0.000 0.915 142 L HN -0.069 nan 8.230 nan 0.000 0.445 143 L N -0.547 120.633 121.223 -0.071 0.000 2.307 143 L HA 0.268 4.608 4.340 0.000 0.000 0.211 143 L C 0.634 177.541 176.870 0.063 0.000 1.099 143 L CA 0.591 55.415 54.840 -0.027 0.000 0.816 143 L CB -0.187 41.824 42.059 -0.079 0.000 0.952 143 L HN 0.374 nan 8.230 nan 0.000 0.455 144 A N 0.534 123.413 122.820 0.099 0.000 3.422 144 A HA 0.414 4.734 4.320 0.000 0.000 0.271 144 A C -2.628 175.068 177.584 0.187 0.000 1.104 144 A CA -0.782 51.340 52.037 0.142 0.000 0.899 144 A CB -0.107 18.979 19.000 0.144 0.000 1.309 144 A HN -0.150 nan 8.150 nan 0.000 0.580 145 P HA 0.225 nan 4.420 nan 0.000 0.271 145 P C -0.862 176.596 177.300 0.262 0.000 1.218 145 P CA 0.342 63.530 63.100 0.145 0.000 0.780 145 P CB 0.529 32.297 31.700 0.114 0.000 0.901 146 Y N 0.367 120.700 120.300 0.054 0.000 2.307 146 Y HA 0.490 5.040 4.550 0.000 0.000 0.324 146 Y C 0.949 176.856 175.900 0.012 0.000 1.238 146 Y CA -1.826 56.293 58.100 0.032 0.000 1.280 146 Y CB 0.231 38.709 38.460 0.030 0.000 1.248 146 Y HN 0.395 nan 8.280 nan 0.000 0.508 147 A N 2.679 125.591 122.820 0.153 0.000 2.318 147 A HA 0.543 4.863 4.320 0.000 0.000 0.317 147 A C -0.282 177.309 177.584 0.012 0.000 1.159 147 A CA -1.080 50.991 52.037 0.057 0.000 0.799 147 A CB 0.568 19.581 19.000 0.022 0.000 1.194 147 A HN 0.643 nan 8.150 nan 0.000 0.479 148 K N 1.422 121.805 120.400 -0.028 0.000 2.524 148 K HA 0.343 4.663 4.320 0.000 0.000 0.279 148 K C 1.314 177.868 176.600 -0.077 0.000 0.993 148 K CA 1.969 58.205 56.287 -0.085 0.000 1.030 148 K CB 0.021 32.403 32.500 -0.197 0.000 0.891 148 K HN 1.841 nan 8.250 nan 0.000 0.488 149 G N 1.793 110.546 108.800 -0.079 0.000 2.195 149 G HA2 -0.205 3.755 3.960 0.000 0.000 0.246 149 G HA3 -0.205 3.755 3.960 0.000 0.000 0.246 149 G C 0.444 175.304 174.900 -0.066 0.000 0.984 149 G CA 0.022 45.079 45.100 -0.071 0.000 0.633 149 G HN 0.987 nan 8.290 nan 0.000 0.525 150 G N -0.554 108.205 108.800 -0.069 0.000 2.511 150 G HA2 0.637 4.597 3.960 0.000 0.000 0.316 150 G HA3 0.637 4.597 3.960 0.000 0.000 0.316 150 G C -0.579 174.254 174.900 -0.112 0.000 1.210 150 G CA -0.592 44.465 45.100 -0.072 0.000 0.969 150 G HN 0.313 nan 8.290 nan 0.000 0.492 151 K N -0.477 119.857 120.400 -0.109 0.000 2.274 151 K HA 0.559 4.879 4.320 0.000 0.000 0.262 151 K C -0.895 175.599 176.600 -0.177 0.000 0.961 151 K CA -0.179 56.021 56.287 -0.144 0.000 0.833 151 K CB 1.955 34.394 32.500 -0.101 0.000 1.102 151 K HN 0.241 nan 8.250 nan 0.000 0.436 152 I N 1.877 122.292 120.570 -0.259 0.000 2.389 152 I HA 0.342 4.512 4.170 0.000 0.000 0.288 152 I C 0.414 176.380 176.117 -0.251 0.000 0.999 152 I CA -0.453 60.662 61.300 -0.308 0.000 1.129 152 I CB 2.132 39.749 38.000 -0.639 0.000 1.288 152 I HN 0.614 nan 8.210 nan 0.000 0.444 153 G N 6.005 114.692 108.800 -0.188 0.000 2.353 153 G HA2 0.508 4.468 3.960 0.000 0.000 0.284 153 G HA3 0.508 4.468 3.960 0.000 0.000 0.284 153 G C -1.050 173.722 174.900 -0.213 0.000 1.172 153 G CA -0.338 44.576 45.100 -0.310 0.000 0.854 153 G HN 0.450 nan 8.290 nan 0.000 0.485 154 L N 3.144 124.180 121.223 -0.311 0.000 2.276 154 L HA 0.688 5.028 4.340 0.000 0.000 0.286 154 L C -1.279 175.471 176.870 -0.201 0.000 1.024 154 L CA -1.124 53.665 54.840 -0.084 0.000 0.826 154 L CB 0.242 42.314 42.059 0.023 0.000 1.211 154 L HN 0.335 nan 8.230 nan 0.000 0.422 155 F N 3.188 123.169 119.950 0.051 0.000 2.470 155 F HA 0.891 5.418 4.527 0.000 0.000 0.329 155 F C 0.942 176.779 175.800 0.061 0.000 1.072 155 F CA -0.163 57.864 58.000 0.045 0.000 0.989 155 F CB 2.238 41.261 39.000 0.039 0.000 1.193 155 F HN 0.631 nan 8.300 nan 0.000 0.481 156 G N 0.405 109.340 108.800 0.225 0.000 2.378 156 G HA2 0.435 4.396 3.960 0.000 0.000 0.302 156 G HA3 0.435 4.396 3.960 0.000 0.000 0.302 156 G C -0.804 174.172 174.900 0.127 0.000 1.669 156 G CA -0.493 44.702 45.100 0.159 0.000 0.920 156 G HN 0.917 nan 8.290 nan 0.000 0.697 157 G N -0.094 108.766 108.800 0.100 0.000 2.664 157 G HA2 0.628 4.588 3.960 0.000 0.000 0.242 157 G HA3 0.628 4.588 3.960 0.000 0.000 0.242 157 G C 0.945 175.909 174.900 0.106 0.000 1.225 157 G CA 0.626 45.782 45.100 0.093 0.000 0.849 157 G HN 1.939 nan 8.290 nan 0.000 0.581 158 A N -0.462 122.426 122.820 0.113 0.000 2.546 158 A HA 0.502 4.822 4.320 0.000 0.000 0.243 158 A C 1.701 179.330 177.584 0.074 0.000 1.063 158 A CA 1.227 53.323 52.037 0.098 0.000 0.757 158 A CB -0.461 18.592 19.000 0.087 0.000 0.991 158 A HN 2.648 nan 8.150 nan 0.000 0.503 159 G N 1.037 109.879 108.800 0.070 0.000 2.155 159 G HA2 -0.230 3.730 3.960 0.000 0.000 0.257 159 G HA3 -0.230 3.730 3.960 0.000 0.000 0.257 159 G C 0.692 175.633 174.900 0.068 0.000 0.983 159 G CA 0.488 45.620 45.100 0.054 0.000 0.676 159 G HN 1.255 nan 8.290 nan 0.000 0.528 160 V N -0.530 119.436 119.914 0.087 0.000 2.951 160 V HA 0.449 4.569 4.120 0.000 0.000 0.255 160 V C 2.194 178.387 176.094 0.164 0.000 1.088 160 V CA 2.255 64.618 62.300 0.106 0.000 1.109 160 V CB 0.178 32.053 31.823 0.086 0.000 0.724 160 V HN 1.887 nan 8.190 nan 0.000 0.471 161 G N -0.548 108.335 108.800 0.138 0.000 2.234 161 G HA2 -0.152 3.808 3.960 0.000 0.000 0.153 161 G HA3 -0.152 3.808 3.960 0.000 0.000 0.153 161 G C 0.744 175.740 174.900 0.160 0.000 1.013 161 G CA 0.222 45.412 45.100 0.150 0.000 0.712 161 G HN 0.345 nan 8.290 nan 0.000 0.491 162 K N 0.177 120.665 120.400 0.147 0.000 2.020 162 K HA -0.109 4.211 4.320 0.000 0.000 0.212 162 K C 2.524 179.216 176.600 0.153 0.000 1.050 162 K CA 2.075 58.456 56.287 0.156 0.000 0.929 162 K CB -0.357 32.225 32.500 0.137 0.000 0.714 162 K HN 0.323 nan 8.250 nan 0.000 0.443 163 T N 1.186 115.818 114.554 0.130 0.000 2.746 163 T HA -0.102 4.248 4.350 0.000 0.000 0.267 163 T C 2.084 176.835 174.700 0.086 0.000 1.039 163 T CA 1.124 63.290 62.100 0.110 0.000 1.142 163 T CB -0.264 68.658 68.868 0.090 0.000 0.866 163 T HN -0.052 nan 8.240 nan 0.000 0.444 164 V N 1.588 121.574 119.914 0.119 0.000 2.392 164 V HA -0.130 3.990 4.120 0.000 0.000 0.249 164 V C 2.387 178.591 176.094 0.183 0.000 1.059 164 V CA 1.359 63.757 62.300 0.163 0.000 1.051 164 V CB -0.638 31.291 31.823 0.177 0.000 0.658 164 V HN 0.336 nan 8.190 nan 0.000 0.455 165 L N -0.196 121.158 121.223 0.218 0.000 2.056 165 L HA -0.096 4.244 4.340 0.000 0.000 0.207 165 L C 2.129 179.043 176.870 0.073 0.000 1.078 165 L CA 1.782 56.760 54.840 0.230 0.000 0.749 165 L CB -0.523 41.709 42.059 0.287 0.000 0.901 165 L HN 0.221 nan 8.230 nan 0.000 0.433 166 I N -0.967 119.641 120.570 0.064 0.000 2.264 166 I HA -0.365 3.805 4.170 0.000 0.000 0.248 166 I C 2.424 178.370 176.117 -0.285 0.000 1.111 166 I CA 1.684 62.941 61.300 -0.072 0.000 1.382 166 I CB -0.230 37.770 38.000 0.000 0.000 1.060 166 I HN 0.337 nan 8.210 nan 0.000 0.418 167 M N -0.393 119.095 119.600 -0.186 0.000 2.099 167 M HA -0.217 4.263 4.480 0.000 0.000 0.262 167 M C 2.273 178.448 176.300 -0.210 0.000 1.067 167 M CA 1.668 56.842 55.300 -0.209 0.000 1.124 167 M CB -0.586 31.945 32.600 -0.116 0.000 1.353 167 M HN 0.083 nan 8.290 nan 0.000 0.410 168 E N 1.188 121.251 120.200 -0.228 0.000 2.110 168 E HA -0.112 4.238 4.350 0.000 0.000 0.193 168 E C 1.836 178.259 176.600 -0.295 0.000 0.988 168 E CA 1.206 57.377 56.400 -0.382 0.000 0.804 168 E CB -0.304 28.824 29.700 -0.953 0.000 0.745 168 E HN 0.451 nan 8.360 nan 0.000 0.458 169 L N -0.042 121.059 121.223 -0.204 0.000 2.017 169 L HA -0.141 4.199 4.340 0.000 0.000 0.208 169 L C 2.457 179.321 176.870 -0.010 0.000 1.073 169 L CA 1.111 55.928 54.840 -0.040 0.000 0.745 169 L CB -0.400 41.775 42.059 0.193 0.000 0.894 169 L HN 0.211 nan 8.230 nan 0.000 0.432 170 I N -0.019 120.448 120.570 -0.172 0.000 2.264 170 I HA -0.319 3.851 4.170 0.000 0.000 0.248 170 I C 2.269 178.349 176.117 -0.062 0.000 1.111 170 I CA 1.594 62.824 61.300 -0.118 0.000 1.382 170 I CB -0.411 37.423 38.000 -0.277 0.000 1.060 170 I HN 0.377 nan 8.210 nan 0.000 0.418 171 N N 1.155 119.789 118.700 -0.110 0.000 2.080 171 N HA -0.180 4.560 4.740 0.000 0.000 0.189 171 N C 1.632 177.099 175.510 -0.071 0.000 1.036 171 N CA 1.617 54.612 53.050 -0.092 0.000 0.846 171 N CB -0.027 38.388 38.487 -0.120 0.000 1.015 171 N HN 0.141 nan 8.380 nan 0.000 0.423 172 N N 0.245 118.892 118.700 -0.088 0.000 2.084 172 N HA -0.101 4.639 4.740 0.000 0.000 0.190 172 N C -0.094 175.399 175.510 -0.028 0.000 1.030 172 N CA 1.086 54.095 53.050 -0.068 0.000 0.849 172 N CB -0.723 37.706 38.487 -0.096 0.000 1.012 172 N HN 0.294 nan 8.380 nan 0.000 0.423 173 V N -1.023 118.897 119.914 0.010 0.000 2.420 173 V HA 0.561 4.681 4.120 0.000 0.000 0.274 173 V C 0.185 176.290 176.094 0.020 0.000 1.003 173 V CA -0.397 61.928 62.300 0.041 0.000 1.092 173 V CB -0.470 31.423 31.823 0.117 0.000 1.002 173 V HN 0.257 nan 8.190 nan 0.000 0.473 174 A N 4.360 127.173 122.820 -0.012 0.000 2.188 174 A HA 0.554 4.874 4.320 0.000 0.000 0.243 174 A C -0.147 177.405 177.584 -0.052 0.000 1.509 174 A CA -0.220 51.801 52.037 -0.027 0.000 1.574 174 A CB -0.152 18.837 19.000 -0.018 0.000 1.049 174 A HN 1.201 nan 8.150 nan 0.000 0.850 175 K N -0.767 119.587 120.400 -0.078 0.000 1.710 175 K HA 0.860 5.180 4.320 0.000 0.000 0.264 175 K C 1.477 177.988 176.600 -0.149 0.000 0.680 175 K CA -0.083 56.142 56.287 -0.103 0.000 0.412 175 K CB -0.495 31.941 32.500 -0.107 0.000 2.242 175 K HN 1.209 nan 8.250 nan 0.000 0.759 176 A N 1.528 124.218 122.820 -0.217 0.000 2.371 176 A HA -0.271 4.049 4.320 0.000 0.000 0.222 176 A C 1.617 179.039 177.584 -0.270 0.000 1.456 176 A CA 2.353 54.203 52.037 -0.312 0.000 0.945 176 A CB -2.196 16.455 19.000 -0.581 0.000 0.769 176 A HN 0.752 nan 8.150 nan 0.000 0.531 177 H N 0.301 119.341 119.070 -0.051 0.000 2.566 177 H HA 0.272 4.828 4.556 0.000 0.000 0.277 177 H C 1.494 176.754 175.328 -0.114 0.000 1.046 177 H CA 1.121 57.130 56.048 -0.064 0.000 1.172 177 H CB -0.831 28.905 29.762 -0.043 0.000 1.319 177 H HN 0.984 nan 8.280 nan 0.000 0.621 178 G N -0.133 108.608 108.800 -0.098 0.000 3.102 178 G HA2 -0.190 3.770 3.960 0.000 0.000 0.200 178 G HA3 -0.190 3.770 3.960 0.000 0.000 0.200 178 G C 1.006 175.767 174.900 -0.233 0.000 1.685 178 G CA 0.132 45.097 45.100 -0.225 0.000 1.299 178 G HN 0.980 nan 8.290 nan 0.000 0.576 179 G N -0.628 108.083 108.800 -0.148 0.000 2.143 179 G HA2 -0.136 3.824 3.960 0.000 0.000 0.175 179 G HA3 -0.136 3.824 3.960 0.000 0.000 0.175 179 G C 0.174 175.099 174.900 0.042 0.000 1.004 179 G CA 0.381 45.453 45.100 -0.047 0.000 0.671 179 G HN 1.213 nan 8.290 nan 0.000 0.512 180 Y N 0.753 121.014 120.300 -0.066 0.000 2.309 180 Y HA 0.560 5.110 4.550 0.000 0.000 0.327 180 Y C 0.865 176.733 175.900 -0.054 0.000 1.172 180 Y CA -0.399 57.609 58.100 -0.153 0.000 1.280 180 Y CB 1.550 39.781 38.460 -0.382 0.000 1.234 180 Y HN 0.166 nan 8.280 nan 0.000 0.512 181 S N 1.646 117.434 115.700 0.146 0.000 2.549 181 S HA 0.589 5.059 4.470 0.000 0.000 0.280 181 S C -1.223 173.485 174.600 0.180 0.000 1.109 181 S CA -0.765 57.564 58.200 0.216 0.000 0.905 181 S CB 2.054 65.459 63.200 0.341 0.000 1.081 181 S HN 0.317 nan 8.310 nan 0.000 0.477 182 V N 2.988 123.052 119.914 0.250 0.000 2.487 182 V HA 0.532 4.652 4.120 0.000 0.000 0.298 182 V C -1.088 175.221 176.094 0.360 0.000 1.028 182 V CA -0.688 61.752 62.300 0.232 0.000 0.860 182 V CB 1.314 33.237 31.823 0.167 0.000 0.991 182 V HN 0.838 nan 8.190 nan 0.000 0.427 183 F N 4.587 124.648 119.950 0.184 0.000 2.426 183 F HA 0.792 5.319 4.527 0.000 0.000 0.348 183 F C 0.244 176.143 175.800 0.165 0.000 1.124 183 F CA -0.539 57.590 58.000 0.216 0.000 1.008 183 F CB 1.073 40.162 39.000 0.150 0.000 1.139 183 F HN 0.551 nan 8.300 nan 0.000 0.452 184 A N 4.786 127.320 122.820 -0.476 0.000 2.256 184 A HA 0.616 4.936 4.320 0.000 0.000 0.317 184 A C 0.061 177.237 177.584 -0.680 0.000 1.318 184 A CA -0.340 51.472 52.037 -0.374 0.000 0.894 184 A CB 0.159 19.034 19.000 -0.208 0.000 1.165 184 A HN 1.071 nan 8.150 nan 0.000 0.525 185 G N 1.823 110.400 108.800 -0.372 0.000 2.475 185 G HA2 0.478 4.438 3.960 0.000 0.000 0.322 185 G HA3 0.478 4.438 3.960 0.000 0.000 0.322 185 G C -0.391 174.481 174.900 -0.048 0.000 1.044 185 G CA -0.182 44.806 45.100 -0.186 0.000 1.047 185 G HN 0.651 nan 8.290 nan 0.000 0.436 186 V N 2.688 122.562 119.914 -0.066 0.000 2.368 186 V HA 0.553 4.673 4.120 0.000 0.000 0.266 186 V C 1.275 177.377 176.094 0.014 0.000 1.045 186 V CA 0.622 62.921 62.300 -0.002 0.000 0.899 186 V CB 0.498 32.334 31.823 0.022 0.000 1.006 186 V HN 1.308 nan 8.190 nan 0.000 0.470 187 G N 3.832 112.640 108.800 0.012 0.000 2.212 187 G HA2 -0.230 3.730 3.960 0.000 0.000 0.255 187 G HA3 -0.230 3.730 3.960 0.000 0.000 0.255 187 G C -0.029 174.867 174.900 -0.006 0.000 1.062 187 G CA 0.214 45.318 45.100 0.006 0.000 0.815 187 G HN 0.873 nan 8.290 nan 0.000 0.497 188 E N 0.503 120.686 120.200 -0.029 0.000 2.417 188 E HA 0.361 4.711 4.350 0.000 0.000 0.261 188 E C 1.087 177.631 176.600 -0.093 0.000 1.000 188 E CA -0.183 56.166 56.400 -0.085 0.000 0.919 188 E CB 0.279 29.832 29.700 -0.244 0.000 0.955 188 E HN 0.518 nan 8.360 nan 0.000 0.455 189 R N 3.747 124.205 120.500 -0.070 0.000 2.347 189 R HA 0.111 4.451 4.340 0.000 0.000 0.304 189 R C 1.011 177.261 176.300 -0.083 0.000 1.072 189 R CA 0.072 56.140 56.100 -0.052 0.000 0.980 189 R CB 0.489 30.775 30.300 -0.022 0.000 0.986 189 R HN 0.628 nan 8.270 nan 0.000 0.448 190 T N 2.129 116.645 114.554 -0.062 0.000 2.737 190 T HA -0.238 4.112 4.350 0.000 0.000 0.269 190 T C 1.762 176.441 174.700 -0.035 0.000 1.040 190 T CA 1.524 63.590 62.100 -0.056 0.000 1.142 190 T CB -0.159 68.700 68.868 -0.015 0.000 0.861 190 T HN 0.567 nan 8.240 nan 0.000 0.456 191 R N 1.118 121.610 120.500 -0.013 0.000 2.091 191 R HA -0.131 4.210 4.340 0.000 0.000 0.238 191 R C 2.196 178.499 176.300 0.006 0.000 1.136 191 R CA 1.749 57.856 56.100 0.011 0.000 0.959 191 R CB -0.117 30.195 30.300 0.020 0.000 0.856 191 R HN 0.516 nan 8.270 nan 0.000 0.437 192 E N -1.020 119.166 120.200 -0.022 0.000 2.152 192 E HA -0.061 4.289 4.350 0.000 0.000 0.192 192 E C 1.875 178.430 176.600 -0.075 0.000 0.983 192 E CA 0.833 57.217 56.400 -0.026 0.000 0.818 192 E CB -0.071 29.616 29.700 -0.022 0.000 0.758 192 E HN 0.583 nan 8.360 nan 0.000 0.467 193 G N 1.443 110.141 108.800 -0.170 0.000 2.432 193 G HA2 -0.327 3.633 3.960 0.000 0.000 0.219 193 G HA3 -0.327 3.633 3.960 0.000 0.000 0.219 193 G C 1.401 176.324 174.900 0.038 0.000 1.135 193 G CA 1.009 45.937 45.100 -0.287 0.000 0.767 193 G HN 0.204 nan 8.290 nan 0.000 0.550 194 N N 0.567 119.285 118.700 0.030 0.000 2.106 194 N HA -0.094 4.646 4.740 0.000 0.000 0.188 194 N C 1.681 177.232 175.510 0.068 0.000 1.029 194 N CA 1.572 54.656 53.050 0.056 0.000 0.848 194 N CB -0.087 38.449 38.487 0.080 0.000 1.007 194 N HN 0.093 nan 8.380 nan 0.000 0.423 195 D N 0.142 120.589 120.400 0.078 0.000 2.117 195 D HA -0.145 4.495 4.640 0.000 0.000 0.197 195 D C 1.913 178.243 176.300 0.051 0.000 0.987 195 D CA 0.631 54.683 54.000 0.087 0.000 0.829 195 D CB -0.483 40.359 40.800 0.071 0.000 0.961 195 D HN 0.277 nan 8.370 nan 0.000 0.460 196 L N -0.071 121.162 121.223 0.016 0.000 2.046 196 L HA -0.190 4.150 4.340 0.000 0.000 0.208 196 L C 2.225 179.114 176.870 0.032 0.000 1.077 196 L CA 1.487 56.306 54.840 -0.034 0.000 0.747 196 L CB -0.749 41.223 42.059 -0.146 0.000 0.896 196 L HN -0.013 nan 8.230 nan 0.000 0.432 197 Y N 0.390 120.646 120.300 -0.074 0.000 2.053 197 Y HA -0.349 4.201 4.550 0.000 0.000 0.277 197 Y C 2.699 178.524 175.900 -0.124 0.000 1.159 197 Y CA 2.334 60.357 58.100 -0.128 0.000 1.125 197 Y CB -0.969 37.369 38.460 -0.202 0.000 0.969 197 Y HN 0.449 nan 8.280 nan 0.000 0.492 198 H N -1.086 117.964 119.070 -0.033 0.000 2.387 198 H HA -0.171 4.386 4.556 0.000 0.000 0.299 198 H C 2.220 177.456 175.328 -0.152 0.000 1.099 198 H CA 1.416 57.372 56.048 -0.153 0.000 1.315 198 H CB 0.008 29.727 29.762 -0.071 0.000 1.380 198 H HN 0.448 nan 8.280 nan 0.000 0.513 199 E N -0.050 120.149 120.200 -0.002 0.000 2.107 199 E HA -0.141 4.209 4.350 0.000 0.000 0.191 199 E C 1.816 178.365 176.600 -0.085 0.000 0.982 199 E CA 0.683 57.047 56.400 -0.060 0.000 0.809 199 E CB 0.208 29.866 29.700 -0.071 0.000 0.756 199 E HN 0.291 nan 8.360 nan 0.000 0.459 200 M N 0.161 119.705 119.600 -0.093 0.000 2.159 200 M HA -0.121 4.359 4.480 0.000 0.000 0.263 200 M C 2.131 178.363 176.300 -0.112 0.000 1.063 200 M CA 1.284 56.527 55.300 -0.096 0.000 1.110 200 M CB -0.597 31.962 32.600 -0.067 0.000 1.374 200 M HN 0.243 nan 8.290 nan 0.000 0.411 201 I N -0.658 119.813 120.570 -0.165 0.000 2.233 201 I HA -0.247 3.924 4.170 0.000 0.000 0.243 201 I C 2.372 178.424 176.117 -0.108 0.000 1.093 201 I CA 0.995 62.196 61.300 -0.166 0.000 1.380 201 I CB -0.458 37.395 38.000 -0.247 0.000 1.067 201 I HN 0.333 nan 8.210 nan 0.000 0.413 202 E N 0.853 120.995 120.200 -0.097 0.000 2.070 202 E HA -0.238 4.112 4.350 0.000 0.000 0.197 202 E C 2.125 178.679 176.600 -0.076 0.000 1.004 202 E CA 2.019 58.368 56.400 -0.085 0.000 0.805 202 E CB -0.045 29.603 29.700 -0.088 0.000 0.744 202 E HN 0.501 nan 8.360 nan 0.000 0.451 203 S N -1.543 114.111 115.700 -0.076 0.000 2.593 203 S HA 0.174 4.644 4.470 0.000 0.000 0.217 203 S C 1.489 176.054 174.600 -0.057 0.000 0.966 203 S CA 0.589 58.749 58.200 -0.066 0.000 0.914 203 S CB 0.783 63.941 63.200 -0.069 0.000 0.776 203 S HN 0.412 nan 8.310 nan 0.000 0.523 204 G N 1.087 109.851 108.800 -0.059 0.000 2.253 204 G HA2 -0.401 3.559 3.960 0.000 0.000 0.251 204 G HA3 -0.401 3.559 3.960 0.000 0.000 0.251 204 G C 1.060 175.936 174.900 -0.041 0.000 0.998 204 G CA 0.532 45.603 45.100 -0.048 0.000 0.621 204 G HN 1.421 nan 8.290 nan 0.000 0.524 205 V N -0.848 119.040 119.914 -0.043 0.000 2.660 205 V HA 0.194 4.314 4.120 0.000 0.000 0.257 205 V C 1.283 177.362 176.094 -0.025 0.000 1.088 205 V CA 1.919 64.201 62.300 -0.030 0.000 1.106 205 V CB -0.334 31.467 31.823 -0.037 0.000 0.686 205 V HN 0.568 nan 8.190 nan 0.000 0.481 206 I N 1.885 122.430 120.570 -0.042 0.000 2.389 206 I HA 0.425 4.595 4.170 0.000 0.000 0.288 206 I C -0.504 175.585 176.117 -0.047 0.000 0.999 206 I CA -0.284 60.994 61.300 -0.037 0.000 1.129 206 I CB 1.456 39.430 38.000 -0.043 0.000 1.288 206 I HN 0.149 nan 8.210 nan 0.000 0.444 207 N N 7.334 126.018 118.700 -0.027 0.000 2.469 207 N HA 0.312 5.052 4.740 0.000 0.000 0.253 207 N C 0.435 175.933 175.510 -0.019 0.000 0.970 207 N CA -0.370 52.664 53.050 -0.027 0.000 0.940 207 N CB 1.623 40.101 38.487 -0.014 0.000 1.128 207 N HN 0.618 nan 8.380 nan 0.000 0.503 208 L N 2.823 124.030 121.223 -0.028 0.000 2.622 208 L HA -0.029 4.311 4.340 0.000 0.000 0.233 208 L C 1.321 178.188 176.870 -0.005 0.000 1.156 208 L CA 0.802 55.636 54.840 -0.011 0.000 0.866 208 L CB 0.022 42.070 42.059 -0.018 0.000 0.980 208 L HN 0.404 nan 8.230 nan 0.000 0.448 209 K N -0.422 119.973 120.400 -0.009 0.000 2.240 209 K HA 0.038 4.358 4.320 0.000 0.000 0.202 209 K C 0.542 177.141 176.600 -0.001 0.000 1.053 209 K CA 0.449 56.733 56.287 -0.005 0.000 0.973 209 K CB 0.142 32.636 32.500 -0.009 0.000 0.924 209 K HN 0.263 nan 8.250 nan 0.000 0.477 210 D N -0.656 119.743 120.400 -0.001 0.000 2.577 210 D HA 0.313 4.953 4.640 0.000 0.000 0.248 210 D C 0.102 176.406 176.300 0.007 0.000 1.181 210 D CA -0.688 53.314 54.000 0.004 0.000 1.083 210 D CB 0.163 40.967 40.800 0.006 0.000 1.198 210 D HN -0.053 nan 8.370 nan 0.000 0.626 211 A N -1.095 121.733 122.820 0.013 0.000 2.470 211 A HA 0.239 4.559 4.320 0.000 0.000 0.251 211 A C 1.290 178.890 177.584 0.028 0.000 1.245 211 A CA 0.471 52.518 52.037 0.017 0.000 0.932 211 A CB -0.792 18.222 19.000 0.024 0.000 1.037 211 A HN 0.576 nan 8.150 nan 0.000 0.522 212 T N -1.767 112.803 114.554 0.026 0.000 3.163 212 T HA 0.084 4.434 4.350 0.000 0.000 0.260 212 T C 0.771 175.491 174.700 0.034 0.000 1.156 212 T CA 0.550 62.673 62.100 0.038 0.000 1.072 212 T CB -0.607 68.276 68.868 0.025 0.000 0.937 212 T HN 0.158 nan 8.240 nan 0.000 0.528 213 S N 1.808 117.515 115.700 0.013 0.000 2.558 213 S HA 0.150 4.620 4.470 0.000 0.000 0.291 213 S C 0.844 175.446 174.600 0.003 0.000 1.306 213 S CA -0.248 57.952 58.200 -0.000 0.000 1.056 213 S CB 0.645 63.837 63.200 -0.014 0.000 0.836 213 S HN 0.536 nan 8.310 nan 0.000 0.504 214 K N 0.903 121.314 120.400 0.019 0.000 2.413 214 K HA 0.287 4.607 4.320 0.000 0.000 0.204 214 K C -0.890 175.715 176.600 0.009 0.000 1.041 214 K CA 0.051 56.379 56.287 0.068 0.000 1.082 214 K CB 0.829 33.403 32.500 0.123 0.000 0.871 214 K HN 0.322 nan 8.250 nan 0.000 0.535 215 V N 0.700 120.601 119.914 -0.022 0.000 2.760 215 V HA 0.656 4.776 4.120 0.000 0.000 0.309 215 V C -0.930 175.162 176.094 -0.004 0.000 1.077 215 V CA -1.427 60.876 62.300 0.005 0.000 0.910 215 V CB 1.756 33.600 31.823 0.036 0.000 1.008 215 V HN 0.091 nan 8.190 nan 0.000 0.424 216 A N 4.835 127.669 122.820 0.023 0.000 2.324 216 A HA 0.943 5.263 4.320 0.000 0.000 0.330 216 A C -0.882 176.736 177.584 0.057 0.000 1.165 216 A CA -0.560 51.493 52.037 0.027 0.000 0.813 216 A CB 0.894 19.933 19.000 0.064 0.000 1.197 216 A HN 0.818 nan 8.150 nan 0.000 0.484 217 L N 2.250 123.463 121.223 -0.018 0.000 2.341 217 L HA 0.622 4.962 4.340 0.000 0.000 0.278 217 L C -1.016 175.764 176.870 -0.150 0.000 1.005 217 L CA -0.907 53.906 54.840 -0.045 0.000 0.818 217 L CB 1.932 43.848 42.059 -0.238 0.000 1.259 217 L HN 0.399 nan 8.230 nan 0.000 0.418 218 V N 3.148 123.050 119.914 -0.019 0.000 2.443 218 V HA 0.394 4.514 4.120 0.000 0.000 0.293 218 V C -0.865 175.330 176.094 0.169 0.000 1.021 218 V CA -0.492 61.795 62.300 -0.020 0.000 0.848 218 V CB 1.451 33.278 31.823 0.007 0.000 0.998 218 V HN 0.500 nan 8.190 nan 0.000 0.424 219 Y N 2.107 122.425 120.300 0.030 0.000 2.335 219 Y HA 0.626 5.176 4.550 0.000 0.000 0.338 219 Y C 0.882 176.789 175.900 0.011 0.000 0.977 219 Y CA -1.003 57.120 58.100 0.037 0.000 1.114 219 Y CB 2.378 40.859 38.460 0.034 0.000 1.182 219 Y HN 0.698 nan 8.280 nan 0.000 0.463 220 G N 4.459 113.354 108.800 0.159 0.000 2.873 220 G HA2 0.284 4.244 3.960 0.000 0.000 0.340 220 G HA3 0.284 4.244 3.960 0.000 0.000 0.340 220 G C -0.793 174.136 174.900 0.048 0.000 1.171 220 G CA -0.468 44.680 45.100 0.080 0.000 1.113 220 G HN 0.613 nan 8.290 nan 0.000 0.471 221 Q N 1.585 121.412 119.800 0.046 0.000 2.394 221 Q HA 0.163 4.503 4.340 0.000 0.000 0.248 221 Q C 1.467 177.469 176.000 0.003 0.000 0.992 221 Q CA -0.454 55.354 55.803 0.008 0.000 0.888 221 Q CB 1.314 30.061 28.738 0.015 0.000 1.257 221 Q HN 0.435 nan 8.270 nan 0.000 0.462 222 M N 1.528 121.122 119.600 -0.009 0.000 2.106 222 M HA -0.222 4.258 4.480 0.000 0.000 0.259 222 M C 1.360 177.658 176.300 -0.002 0.000 1.068 222 M CA 1.925 57.221 55.300 -0.006 0.000 1.100 222 M CB -0.993 31.602 32.600 -0.009 0.000 1.351 222 M HN 0.744 nan 8.290 nan 0.000 0.404 223 N N 0.174 118.874 118.700 0.001 0.000 2.501 223 N HA 0.008 4.748 4.740 0.000 0.000 0.195 223 N C -0.143 175.371 175.510 0.006 0.000 1.213 223 N CA -0.036 53.016 53.050 0.003 0.000 0.864 223 N CB 0.089 38.579 38.487 0.005 0.000 0.999 223 N HN 0.412 nan 8.380 nan 0.000 0.454 224 E N 1.088 121.293 120.200 0.008 0.000 2.250 224 E HA 0.281 4.631 4.350 0.000 0.000 0.269 224 E C -2.287 174.317 176.600 0.006 0.000 1.018 224 E CA -2.430 53.976 56.400 0.011 0.000 0.873 224 E CB 0.897 30.608 29.700 0.019 0.000 1.134 224 E HN 0.150 nan 8.360 nan 0.000 0.403 225 P HA -0.019 nan 4.420 nan 0.000 0.271 225 P C -2.096 175.204 177.300 -0.001 0.000 1.233 225 P CA -1.032 62.069 63.100 0.002 0.000 0.789 225 P CB -0.128 31.575 31.700 0.005 0.000 0.951 226 P HA -0.158 nan 4.420 nan 0.000 0.216 226 P C 1.594 178.886 177.300 -0.013 0.000 1.150 226 P CA 1.960 65.049 63.100 -0.018 0.000 0.837 226 P CB -0.643 31.041 31.700 -0.027 0.000 0.786 227 G N 0.292 109.091 108.800 -0.001 0.000 2.422 227 G HA2 -0.193 3.767 3.960 0.000 0.000 0.218 227 G HA3 -0.193 3.767 3.960 0.000 0.000 0.218 227 G C 1.777 176.690 174.900 0.021 0.000 1.146 227 G CA 0.978 46.085 45.100 0.012 0.000 0.769 227 G HN 0.361 nan 8.290 nan 0.000 0.547 228 A N 0.723 123.555 122.820 0.020 0.000 1.898 228 A HA 0.046 4.366 4.320 0.000 0.000 0.216 228 A C 2.416 180.015 177.584 0.026 0.000 1.181 228 A CA 1.488 53.540 52.037 0.025 0.000 0.620 228 A CB -0.344 18.671 19.000 0.024 0.000 0.819 228 A HN 0.332 nan 8.150 nan 0.000 0.442 229 R N -0.686 119.824 120.500 0.016 0.000 2.148 229 R HA 0.014 4.354 4.340 0.000 0.000 0.227 229 R C 2.296 178.614 176.300 0.031 0.000 1.103 229 R CA 0.956 57.068 56.100 0.019 0.000 0.983 229 R CB -0.298 30.004 30.300 0.003 0.000 0.874 229 R HN 0.515 nan 8.270 nan 0.000 0.451 230 A N 0.637 123.463 122.820 0.009 0.000 1.968 230 A HA -0.049 4.271 4.320 0.000 0.000 0.217 230 A C 1.745 179.382 177.584 0.088 0.000 1.169 230 A CA 0.889 52.926 52.037 0.001 0.000 0.638 230 A CB 0.044 19.011 19.000 -0.055 0.000 0.812 230 A HN 0.055 nan 8.150 nan 0.000 0.446 231 R N -0.161 120.377 120.500 0.063 0.000 2.290 231 R HA 0.040 4.380 4.340 0.000 0.000 0.197 231 R C 1.920 178.236 176.300 0.026 0.000 0.913 231 R CA 1.127 57.256 56.100 0.049 0.000 1.040 231 R CB -0.875 29.445 30.300 0.032 0.000 0.992 231 R HN 0.577 nan 8.270 nan 0.000 0.500 232 V N -1.489 118.449 119.914 0.039 0.000 2.490 232 V HA -0.051 4.069 4.120 0.000 0.000 0.250 232 V C 2.244 178.330 176.094 -0.013 0.000 1.061 232 V CA 1.674 63.984 62.300 0.015 0.000 1.064 232 V CB -0.948 30.892 31.823 0.030 0.000 0.670 232 V HN 0.108 nan 8.190 nan 0.000 0.461 233 A N 0.877 123.692 122.820 -0.007 0.000 1.933 233 A HA -0.017 4.303 4.320 0.000 0.000 0.218 233 A C 2.241 179.755 177.584 -0.116 0.000 1.175 233 A CA 2.108 54.083 52.037 -0.104 0.000 0.628 233 A CB -0.593 18.272 19.000 -0.225 0.000 0.814 233 A HN 0.606 nan 8.150 nan 0.000 0.444 234 L N -1.011 120.162 121.223 -0.084 0.000 2.056 234 L HA -0.135 4.205 4.340 0.000 0.000 0.207 234 L C 2.765 179.574 176.870 -0.103 0.000 1.078 234 L CA 1.713 56.484 54.840 -0.116 0.000 0.749 234 L CB -1.326 40.626 42.059 -0.177 0.000 0.901 234 L HN 0.318 nan 8.230 nan 0.000 0.433 235 T N 0.179 114.684 114.554 -0.082 0.000 2.665 235 T HA -0.187 4.163 4.350 0.000 0.000 0.268 235 T C 1.861 176.531 174.700 -0.049 0.000 1.035 235 T CA 1.627 63.692 62.100 -0.059 0.000 1.151 235 T CB -0.686 68.159 68.868 -0.038 0.000 0.862 235 T HN 0.578 nan 8.240 nan 0.000 0.438 236 G N 1.276 110.047 108.800 -0.049 0.000 2.418 236 G HA2 -0.151 3.810 3.960 0.000 0.000 0.217 236 G HA3 -0.151 3.810 3.960 0.000 0.000 0.217 236 G C 1.512 176.394 174.900 -0.029 0.000 1.158 236 G CA 0.741 45.820 45.100 -0.035 0.000 0.771 236 G HN 0.404 nan 8.290 nan 0.000 0.545 237 L N 1.143 122.329 121.223 -0.062 0.000 2.079 237 L HA -0.027 4.313 4.340 0.000 0.000 0.210 237 L C 2.857 179.710 176.870 -0.030 0.000 1.081 237 L CA 2.512 57.316 54.840 -0.059 0.000 0.752 237 L CB -0.980 41.022 42.059 -0.096 0.000 0.896 237 L HN 0.196 nan 8.230 nan 0.000 0.433 238 T N -1.368 113.163 114.554 -0.038 0.000 2.777 238 T HA -0.124 4.226 4.350 0.000 0.000 0.266 238 T C 2.001 176.690 174.700 -0.018 0.000 1.040 238 T CA 1.421 63.504 62.100 -0.028 0.000 1.141 238 T CB -0.334 68.509 68.868 -0.041 0.000 0.868 238 T HN 0.196 nan 8.240 nan 0.000 0.444 239 V N 1.819 121.723 119.914 -0.017 0.000 2.332 239 V HA -0.197 3.923 4.120 0.000 0.000 0.248 239 V C 2.869 179.017 176.094 0.091 0.000 1.055 239 V CA 1.811 64.107 62.300 -0.006 0.000 1.038 239 V CB -1.147 30.695 31.823 0.032 0.000 0.651 239 V HN 0.539 nan 8.190 nan 0.000 0.450 240 A N -0.622 122.281 122.820 0.138 0.000 1.929 240 A HA -0.183 4.137 4.320 0.000 0.000 0.216 240 A C 2.153 179.834 177.584 0.163 0.000 1.176 240 A CA 1.492 53.665 52.037 0.226 0.000 0.628 240 A CB -0.420 18.657 19.000 0.128 0.000 0.816 240 A HN 0.597 nan 8.150 nan 0.000 0.444 241 E N -1.525 118.717 120.200 0.069 0.000 2.153 241 E HA -0.217 4.133 4.350 0.000 0.000 0.194 241 E C 1.712 178.317 176.600 0.008 0.000 0.988 241 E CA 1.391 57.809 56.400 0.031 0.000 0.811 241 E CB -0.309 29.396 29.700 0.008 0.000 0.746 241 E HN 0.808 nan 8.360 nan 0.000 0.466 242 Y N 0.417 120.633 120.300 -0.139 0.000 2.097 242 Y HA -0.286 4.264 4.550 0.000 0.000 0.282 242 Y C 1.760 177.531 175.900 -0.216 0.000 1.152 242 Y CA 1.778 59.728 58.100 -0.250 0.000 1.136 242 Y CB -0.461 37.724 38.460 -0.459 0.000 0.975 242 Y HN -0.033 nan 8.280 nan 0.000 0.498 243 F N 0.244 120.244 119.950 0.084 0.000 2.095 243 F HA -0.247 4.280 4.527 0.000 0.000 0.298 243 F C 2.839 178.616 175.800 -0.038 0.000 1.104 243 F CA 1.874 59.905 58.000 0.051 0.000 1.232 243 F CB -0.521 38.599 39.000 0.201 0.000 0.987 243 F HN -0.021 nan 8.300 nan 0.000 0.475 244 R N 0.529 121.106 120.500 0.130 0.000 2.066 244 R HA -0.145 4.195 4.340 0.000 0.000 0.232 244 R C 1.657 177.937 176.300 -0.034 0.000 1.131 244 R CA 2.070 58.199 56.100 0.049 0.000 0.955 244 R CB -0.330 29.989 30.300 0.031 0.000 0.851 244 R HN 0.189 nan 8.270 nan 0.000 0.432 245 D N 0.027 120.374 120.400 -0.089 0.000 2.154 245 D HA -0.094 4.546 4.640 0.000 0.000 0.211 245 D C 2.124 178.313 176.300 -0.186 0.000 0.977 245 D CA 0.882 54.813 54.000 -0.114 0.000 0.869 245 D CB -0.277 40.466 40.800 -0.094 0.000 1.022 245 D HN 0.181 nan 8.370 nan 0.000 0.461 246 Q N 0.548 120.126 119.800 -0.371 0.000 2.172 246 Q HA -0.028 4.312 4.340 0.000 0.000 0.200 246 Q C 0.800 176.599 176.000 -0.336 0.000 0.964 246 Q CA 0.875 56.416 55.803 -0.437 0.000 0.855 246 Q CB -0.006 28.257 28.738 -0.792 0.000 0.918 246 Q HN 0.535 nan 8.270 nan 0.000 0.444 247 E N -0.471 119.548 120.200 -0.301 0.000 2.651 247 E HA 0.283 4.633 4.350 0.000 0.000 0.208 247 E C 0.124 176.725 176.600 0.001 0.000 0.997 247 E CA -0.019 56.334 56.400 -0.077 0.000 1.020 247 E CB 0.646 30.387 29.700 0.068 0.000 1.052 247 E HN 0.293 nan 8.360 nan 0.000 0.465 248 G N 2.580 111.365 108.800 -0.025 0.000 2.390 248 G HA2 -0.304 3.656 3.960 0.000 0.000 0.299 248 G HA3 -0.304 3.656 3.960 0.000 0.000 0.299 248 G C 0.101 175.014 174.900 0.022 0.000 1.002 248 G CA 0.604 45.702 45.100 -0.004 0.000 0.979 248 G HN 0.200 nan 8.290 nan 0.000 0.513 249 Q N -0.284 119.553 119.800 0.062 0.000 2.215 249 Q HA 0.366 4.706 4.340 0.000 0.000 0.256 249 Q C -0.700 175.325 176.000 0.043 0.000 0.972 249 Q CA -0.769 55.070 55.803 0.061 0.000 0.889 249 Q CB 1.428 30.246 28.738 0.132 0.000 1.281 249 Q HN 0.271 nan 8.270 nan 0.000 0.456 250 D N 1.869 122.278 120.400 0.015 0.000 2.441 250 D HA 0.246 4.886 4.640 0.000 0.000 0.221 250 D C -0.319 175.995 176.300 0.023 0.000 1.156 250 D CA -0.024 53.968 54.000 -0.013 0.000 0.896 250 D CB 0.911 41.665 40.800 -0.076 0.000 1.028 250 D HN 0.141 nan 8.370 nan 0.000 0.509 251 V N 1.691 121.633 119.914 0.046 0.000 2.837 251 V HA 0.394 4.514 4.120 0.000 0.000 0.310 251 V C 0.364 176.469 176.094 0.018 0.000 1.059 251 V CA -0.998 61.347 62.300 0.075 0.000 1.004 251 V CB 2.281 34.184 31.823 0.134 0.000 1.045 251 V HN 0.318 nan 8.190 nan 0.000 0.465 252 L N 3.170 124.408 121.223 0.024 0.000 2.313 252 L HA 0.527 4.867 4.340 0.000 0.000 0.283 252 L C -0.874 175.915 176.870 -0.135 0.000 1.013 252 L CA -0.400 54.381 54.840 -0.098 0.000 0.816 252 L CB 1.524 43.565 42.059 -0.029 0.000 1.236 252 L HN 0.561 nan 8.230 nan 0.000 0.419 253 L N 4.907 125.964 121.223 -0.277 0.000 2.298 253 L HA 0.515 4.855 4.340 0.000 0.000 0.284 253 L C -1.019 175.620 176.870 -0.384 0.000 1.013 253 L CA 0.024 54.744 54.840 -0.200 0.000 0.824 253 L CB 1.110 43.088 42.059 -0.135 0.000 1.221 253 L HN 0.211 nan 8.230 nan 0.000 0.418 254 F N 6.125 126.078 119.950 0.004 0.000 2.405 254 F HA 0.507 5.034 4.527 0.000 0.000 0.355 254 F C 0.193 175.870 175.800 -0.204 0.000 1.121 254 F CA -0.262 57.731 58.000 -0.012 0.000 1.112 254 F CB 0.961 40.085 39.000 0.206 0.000 1.126 254 F HN 0.258 nan 8.300 nan 0.000 0.481 255 I N 3.428 123.959 120.570 -0.064 0.000 2.420 255 I HA 0.237 4.407 4.170 0.000 0.000 0.282 255 I C -1.028 175.026 176.117 -0.106 0.000 1.019 255 I CA -0.403 60.795 61.300 -0.169 0.000 1.130 255 I CB 1.289 39.169 38.000 -0.200 0.000 1.262 255 I HN 0.415 nan 8.210 nan 0.000 0.454 256 D N 6.544 126.843 120.400 -0.168 0.000 2.440 256 D HA 0.258 4.898 4.640 0.000 0.000 0.252 256 D C -1.255 175.033 176.300 -0.020 0.000 1.180 256 D CA -0.223 53.765 54.000 -0.020 0.000 0.894 256 D CB 1.133 42.010 40.800 0.129 0.000 1.111 256 D HN 0.379 nan 8.370 nan 0.000 0.544 257 N N 3.702 122.420 118.700 0.030 0.000 2.240 257 N HA 0.209 4.949 4.740 0.000 0.000 0.302 257 N C 0.523 176.087 175.510 0.089 0.000 1.106 257 N CA -0.544 52.548 53.050 0.070 0.000 0.778 257 N CB 1.872 40.438 38.487 0.132 0.000 1.431 257 N HN 0.365 nan 8.380 nan 0.000 0.479 258 I N 2.577 123.194 120.570 0.078 0.000 2.676 258 I HA -0.025 4.145 4.170 0.000 0.000 0.259 258 I C 1.594 177.858 176.117 0.245 0.000 1.194 258 I CA 0.713 62.075 61.300 0.102 0.000 1.473 258 I CB -0.226 37.770 38.000 -0.007 0.000 1.096 258 I HN 0.571 nan 8.210 nan 0.000 0.443 259 F N 1.749 121.775 119.950 0.127 0.000 2.134 259 F HA -0.174 4.353 4.527 0.000 0.000 0.299 259 F C 2.392 178.281 175.800 0.148 0.000 1.097 259 F CA 1.673 59.776 58.000 0.171 0.000 1.264 259 F CB -0.309 38.842 39.000 0.251 0.000 1.001 259 F HN -0.026 nan 8.300 nan 0.000 0.479 260 R N -0.981 119.577 120.500 0.096 0.000 2.236 260 R HA -0.105 4.235 4.340 0.000 0.000 0.208 260 R C 2.165 178.454 176.300 -0.019 0.000 1.036 260 R CA 1.142 57.220 56.100 -0.037 0.000 1.001 260 R CB -0.798 29.532 30.300 0.049 0.000 0.896 260 R HN 0.441 nan 8.270 nan 0.000 0.464 261 F N 1.791 121.686 119.950 -0.092 0.000 2.084 261 F HA -0.153 4.374 4.527 0.000 0.000 0.296 261 F C 2.021 177.757 175.800 -0.107 0.000 1.111 261 F CA 1.625 59.573 58.000 -0.086 0.000 1.224 261 F CB -0.593 38.364 39.000 -0.072 0.000 0.991 261 F HN -0.217 nan 8.300 nan 0.000 0.471 262 T N 0.827 115.224 114.554 -0.262 0.000 2.665 262 T HA -0.222 4.128 4.350 0.000 0.000 0.268 262 T C 1.861 176.360 174.700 -0.336 0.000 1.035 262 T CA 1.803 63.685 62.100 -0.363 0.000 1.151 262 T CB -0.313 68.452 68.868 -0.171 0.000 0.862 262 T HN 0.341 nan 8.240 nan 0.000 0.438 263 Q N 0.419 119.967 119.800 -0.420 0.000 2.119 263 Q HA 0.091 4.431 4.340 0.000 0.000 0.201 263 Q C 2.728 178.602 176.000 -0.210 0.000 0.972 263 Q CA 1.307 56.911 55.803 -0.332 0.000 0.847 263 Q CB -0.599 27.894 28.738 -0.408 0.000 0.903 263 Q HN 0.579 nan 8.270 nan 0.000 0.433 264 A N 0.827 123.527 122.820 -0.199 0.000 1.902 264 A HA -0.093 4.227 4.320 0.000 0.000 0.217 264 A C 2.336 179.822 177.584 -0.163 0.000 1.181 264 A CA 1.782 53.734 52.037 -0.141 0.000 0.623 264 A CB -1.031 17.908 19.000 -0.102 0.000 0.818 264 A HN 0.446 nan 8.150 nan 0.000 0.443 265 G N -1.025 107.619 108.800 -0.260 0.000 2.422 265 G HA2 -0.171 3.789 3.960 0.000 0.000 0.218 265 G HA3 -0.171 3.789 3.960 0.000 0.000 0.218 265 G C 1.902 176.719 174.900 -0.139 0.000 1.146 265 G CA 1.466 46.425 45.100 -0.236 0.000 0.769 265 G HN 0.582 nan 8.290 nan 0.000 0.547 266 S N 0.334 115.962 115.700 -0.121 0.000 2.383 266 S HA -0.081 4.389 4.470 0.000 0.000 0.227 266 S C 2.231 176.788 174.600 -0.071 0.000 1.026 266 S CA 1.739 59.901 58.200 -0.064 0.000 0.981 266 S CB -0.251 62.920 63.200 -0.048 0.000 0.818 266 S HN 0.585 nan 8.310 nan 0.000 0.472 267 E N 0.256 120.406 120.200 -0.082 0.000 2.072 267 E HA -0.078 4.273 4.350 0.000 0.000 0.191 267 E C 2.129 178.700 176.600 -0.048 0.000 0.985 267 E CA 1.346 57.708 56.400 -0.062 0.000 0.801 267 E CB -0.210 29.453 29.700 -0.061 0.000 0.750 267 E HN 0.368 nan 8.360 nan 0.000 0.452 268 V N 0.870 120.752 119.914 -0.052 0.000 2.343 268 V HA -0.257 3.863 4.120 0.000 0.000 0.247 268 V C 2.405 178.481 176.094 -0.029 0.000 1.051 268 V CA 1.872 64.151 62.300 -0.036 0.000 1.036 268 V CB -0.413 31.388 31.823 -0.036 0.000 0.654 268 V HN 0.262 nan 8.190 nan 0.000 0.451 269 S N -0.239 115.439 115.700 -0.036 0.000 2.368 269 S HA -0.177 4.293 4.470 0.000 0.000 0.225 269 S C 2.138 176.727 174.600 -0.019 0.000 1.030 269 S CA 1.596 59.782 58.200 -0.024 0.000 0.999 269 S CB -0.292 62.894 63.200 -0.024 0.000 0.844 269 S HN 0.616 nan 8.310 nan 0.000 0.459 270 A N 1.387 124.192 122.820 -0.025 0.000 1.898 270 A HA 0.067 4.387 4.320 0.000 0.000 0.216 270 A C 2.179 179.754 177.584 -0.016 0.000 1.181 270 A CA 1.355 53.378 52.037 -0.022 0.000 0.620 270 A CB -0.794 18.188 19.000 -0.030 0.000 0.819 270 A HN 0.570 nan 8.150 nan 0.000 0.442 271 L N -0.630 120.583 121.223 -0.017 0.000 2.083 271 L HA -0.127 4.213 4.340 0.000 0.000 0.209 271 L C 1.901 178.767 176.870 -0.006 0.000 1.083 271 L CA 0.816 55.649 54.840 -0.011 0.000 0.752 271 L CB -0.459 41.593 42.059 -0.011 0.000 0.899 271 L HN 0.340 nan 8.230 nan 0.000 0.433 272 L N -0.037 121.183 121.223 -0.006 0.000 2.650 272 L HA 0.078 4.418 4.340 0.000 0.000 0.235 272 L C 1.482 178.352 176.870 -0.001 0.000 1.149 272 L CA 0.472 55.311 54.840 -0.001 0.000 0.887 272 L CB -0.741 41.318 42.059 -0.001 0.000 1.021 272 L HN 0.502 nan 8.230 nan 0.000 0.441 273 G N 0.506 109.304 108.800 -0.003 0.000 2.168 273 G HA2 -0.314 3.646 3.960 0.000 0.000 0.263 273 G HA3 -0.314 3.646 3.960 0.000 0.000 0.263 273 G C 0.404 175.303 174.900 -0.002 0.000 0.977 273 G CA -0.061 45.037 45.100 -0.002 0.000 0.659 273 G HN 0.422 nan 8.290 nan 0.000 0.533 274 R N -0.304 120.194 120.500 -0.003 0.000 2.543 274 R HA 0.467 4.807 4.340 0.000 0.000 0.277 274 R C 0.962 177.262 176.300 -0.001 0.000 1.074 274 R CA -0.437 55.662 56.100 -0.001 0.000 1.076 274 R CB 0.717 31.016 30.300 -0.001 0.000 0.993 274 R HN 0.329 nan 8.270 nan 0.000 0.459 275 I N 4.860 125.431 120.570 0.003 0.000 2.598 275 I HA 0.049 4.219 4.170 0.000 0.000 0.284 275 I C -1.721 174.400 176.117 0.008 0.000 1.140 275 I CA -1.735 59.567 61.300 0.004 0.000 1.420 275 I CB 0.450 38.454 38.000 0.006 0.000 1.387 275 I HN 0.289 nan 8.210 nan 0.000 0.553 276 P HA 0.105 nan 4.420 nan 0.000 0.272 276 P C -0.280 177.035 177.300 0.026 0.000 1.223 276 P CA -0.254 62.852 63.100 0.010 0.000 0.784 276 P CB 0.948 32.642 31.700 -0.010 0.000 0.923 277 S N 1.043 116.773 115.700 0.050 0.000 2.566 277 S HA 0.636 5.106 4.470 0.000 0.000 0.277 277 S C -0.115 174.534 174.600 0.081 0.000 1.150 277 S CA -0.404 57.836 58.200 0.067 0.000 1.032 277 S CB -0.093 63.158 63.200 0.085 0.000 1.157 277 S HN 0.540 nan 8.310 nan 0.000 0.507 278 A N 0.320 123.200 122.820 0.100 0.000 2.540 278 A HA 0.406 4.726 4.320 0.000 0.000 0.239 278 A C 0.942 178.622 177.584 0.161 0.000 1.061 278 A CA 0.395 52.496 52.037 0.107 0.000 0.758 278 A CB -0.823 18.237 19.000 0.101 0.000 0.991 278 A HN 1.619 nan 8.150 nan 0.000 0.502 279 V N 1.497 121.472 119.914 0.102 0.000 4.032 279 V HA -0.309 3.811 4.120 0.000 0.000 0.231 279 V C 1.822 177.871 176.094 -0.074 0.000 0.429 279 V CA 1.622 63.972 62.300 0.082 0.000 0.934 279 V CB -2.420 29.541 31.823 0.230 0.000 1.004 279 V HN 2.923 nan 8.190 nan 0.000 1.283 280 G N -2.433 106.330 108.800 -0.062 0.000 2.184 280 G HA2 -0.357 3.603 3.960 0.000 0.000 0.264 280 G HA3 -0.357 3.603 3.960 0.000 0.000 0.264 280 G C -0.064 174.717 174.900 -0.198 0.000 0.975 280 G CA 0.492 45.505 45.100 -0.145 0.000 0.642 280 G HN 0.896 nan 8.290 nan 0.000 0.536 281 Y N 1.845 122.158 120.300 0.022 0.000 2.357 281 Y HA 0.375 4.926 4.550 0.000 0.000 0.340 281 Y C 1.473 177.366 175.900 -0.011 0.000 1.260 281 Y CA -0.010 58.092 58.100 0.003 0.000 1.425 281 Y CB 0.442 38.913 38.460 0.017 0.000 1.326 281 Y HN 0.408 nan 8.280 nan 0.000 0.580 282 Q N 3.052 122.940 119.800 0.147 0.000 2.349 282 Q HA -0.005 4.335 4.340 0.000 0.000 0.287 282 Q C -2.270 173.772 176.000 0.069 0.000 1.044 282 Q CA -1.324 54.517 55.803 0.063 0.000 0.918 282 Q CB 0.636 29.384 28.738 0.017 0.000 1.242 282 Q HN 0.394 nan 8.270 nan 0.000 0.405 283 P HA -0.127 nan 4.420 nan 0.000 0.219 283 P C 0.958 178.275 177.300 0.029 0.000 1.146 283 P CA 1.805 64.927 63.100 0.037 0.000 0.808 283 P CB -0.128 31.586 31.700 0.023 0.000 0.779 284 T N -4.089 110.477 114.554 0.020 0.000 3.206 284 T HA 0.154 4.504 4.350 0.000 0.000 0.253 284 T C 1.370 176.076 174.700 0.010 0.000 1.042 284 T CA -0.355 61.753 62.100 0.013 0.000 0.931 284 T CB -0.878 67.991 68.868 0.002 0.000 1.029 284 T HN -0.152 nan 8.240 nan 0.000 0.564 285 L N 1.984 123.216 121.223 0.015 0.000 1.997 285 L HA -0.044 4.296 4.340 0.000 0.000 0.216 285 L C 2.671 179.552 176.870 0.017 0.000 1.074 285 L CA 2.399 57.237 54.840 -0.002 0.000 0.763 285 L CB -1.154 40.899 42.059 -0.009 0.000 0.890 285 L HN 0.383 nan 8.230 nan 0.000 0.434 286 A N -1.578 121.265 122.820 0.038 0.000 1.898 286 A HA -0.164 4.156 4.320 0.000 0.000 0.216 286 A C 2.301 179.938 177.584 0.088 0.000 1.181 286 A CA 2.147 54.228 52.037 0.073 0.000 0.620 286 A CB -1.266 17.775 19.000 0.069 0.000 0.819 286 A HN 0.653 nan 8.150 nan 0.000 0.442 287 T N -2.101 112.491 114.554 0.063 0.000 2.904 287 T HA -0.111 4.239 4.350 0.000 0.000 0.267 287 T C 1.315 176.057 174.700 0.071 0.000 1.059 287 T CA 1.309 63.448 62.100 0.065 0.000 1.137 287 T CB -0.423 68.472 68.868 0.045 0.000 0.879 287 T HN 0.338 nan 8.240 nan 0.000 0.467 288 D N 1.198 121.630 120.400 0.054 0.000 2.092 288 D HA -0.074 4.566 4.640 0.000 0.000 0.193 288 D C 1.961 178.375 176.300 0.189 0.000 0.994 288 D CA 1.232 55.271 54.000 0.064 0.000 0.828 288 D CB -0.473 40.287 40.800 -0.067 0.000 0.963 288 D HN 0.301 nan 8.370 nan 0.000 0.450 289 M N 0.982 120.686 119.600 0.174 0.000 2.080 289 M HA -0.034 4.446 4.480 0.000 0.000 0.260 289 M C 2.040 178.335 176.300 -0.009 0.000 1.068 289 M CA 2.033 57.450 55.300 0.195 0.000 1.109 289 M CB -0.944 31.740 32.600 0.139 0.000 1.342 289 M HN 0.024 nan 8.290 nan 0.000 0.405 290 G N -1.312 107.520 108.800 0.052 0.000 2.446 290 G HA2 -0.291 3.669 3.960 0.000 0.000 0.217 290 G HA3 -0.291 3.669 3.960 0.000 0.000 0.217 290 G C 1.461 176.379 174.900 0.030 0.000 1.168 290 G CA 1.905 47.047 45.100 0.070 0.000 0.771 290 G HN 0.625 nan 8.290 nan 0.000 0.551 291 T N -1.861 112.726 114.554 0.054 0.000 2.867 291 T HA -0.021 4.329 4.350 0.000 0.000 0.268 291 T C 2.215 176.924 174.700 0.016 0.000 1.057 291 T CA 1.515 63.645 62.100 0.051 0.000 1.136 291 T CB -0.124 68.791 68.868 0.079 0.000 0.874 291 T HN 0.121 nan 8.240 nan 0.000 0.466 292 M N 0.894 120.491 119.600 -0.005 0.000 2.115 292 M HA 0.020 4.500 4.480 0.000 0.000 0.261 292 M C 2.347 178.540 176.300 -0.179 0.000 1.079 292 M CA 1.478 56.712 55.300 -0.110 0.000 1.143 292 M CB -0.820 31.647 32.600 -0.221 0.000 1.332 292 M HN 0.210 nan 8.290 nan 0.000 0.421 293 Q N 0.381 120.025 119.800 -0.260 0.000 2.135 293 Q HA -0.178 4.162 4.340 0.000 0.000 0.204 293 Q C 1.753 177.675 176.000 -0.130 0.000 0.981 293 Q CA 1.294 56.925 55.803 -0.288 0.000 0.856 293 Q CB -0.524 27.834 28.738 -0.633 0.000 0.902 293 Q HN 0.557 nan 8.270 nan 0.000 0.425 294 E N 0.616 120.778 120.200 -0.064 0.000 2.265 294 E HA -0.125 4.225 4.350 0.000 0.000 0.196 294 E C 1.801 178.394 176.600 -0.011 0.000 0.996 294 E CA 0.523 56.928 56.400 0.009 0.000 0.832 294 E CB -0.065 29.662 29.700 0.045 0.000 0.756 294 E HN 0.315 nan 8.360 nan 0.000 0.491 295 R N 0.021 120.499 120.500 -0.036 0.000 2.276 295 R HA 0.108 4.448 4.340 0.000 0.000 0.203 295 R C 0.730 177.000 176.300 -0.048 0.000 1.017 295 R CA 0.224 56.302 56.100 -0.037 0.000 1.010 295 R CB 0.134 30.407 30.300 -0.044 0.000 0.900 295 R HN 0.056 nan 8.270 nan 0.000 0.469 296 I N 1.198 121.729 120.570 -0.065 0.000 2.269 296 I HA 0.097 4.267 4.170 0.000 0.000 0.293 296 I C 0.021 176.106 176.117 -0.052 0.000 1.106 296 I CA 0.091 61.348 61.300 -0.072 0.000 1.248 296 I CB 1.185 39.122 38.000 -0.105 0.000 1.444 296 I HN -0.085 nan 8.210 nan 0.000 0.497 297 T N 2.819 117.346 114.554 -0.045 0.000 2.749 297 T HA 0.299 4.649 4.350 0.000 0.000 0.310 297 T C -0.656 174.017 174.700 -0.044 0.000 1.496 297 T CA -0.396 61.680 62.100 -0.041 0.000 1.006 297 T CB 1.735 70.585 68.868 -0.031 0.000 1.457 297 T HN 0.288 nan 8.240 nan 0.000 0.497 298 T N 2.928 117.453 114.554 -0.048 0.000 2.749 298 T HA 0.559 4.909 4.350 0.000 0.000 0.295 298 T C 0.452 175.121 174.700 -0.052 0.000 0.936 298 T CA -0.322 61.748 62.100 -0.051 0.000 1.060 298 T CB 0.537 69.371 68.868 -0.056 0.000 0.904 298 T HN 0.805 nan 8.240 nan 0.000 0.500 299 T N 0.685 115.211 114.554 -0.046 0.000 2.919 299 T HA 0.472 4.822 4.350 0.000 0.000 0.282 299 T C 1.243 175.915 174.700 -0.045 0.000 1.020 299 T CA -1.025 61.047 62.100 -0.048 0.000 0.994 299 T CB 1.381 70.224 68.868 -0.041 0.000 1.180 299 T HN 0.356 nan 8.240 nan 0.000 0.566 300 K N 0.070 120.444 120.400 -0.045 0.000 2.147 300 K HA -0.010 4.310 4.320 0.000 0.000 0.205 300 K C 2.093 178.673 176.600 -0.034 0.000 1.049 300 K CA 1.156 57.420 56.287 -0.039 0.000 0.936 300 K CB -0.089 32.389 32.500 -0.037 0.000 0.722 300 K HN 0.528 nan 8.250 nan 0.000 0.446 301 K N -0.120 120.260 120.400 -0.034 0.000 2.439 301 K HA 0.026 4.346 4.320 0.000 0.000 0.197 301 K C 0.843 177.426 176.600 -0.028 0.000 1.041 301 K CA 0.578 56.846 56.287 -0.032 0.000 0.970 301 K CB 0.408 32.886 32.500 -0.038 0.000 0.773 301 K HN 0.276 nan 8.250 nan 0.000 0.479 302 G N 0.361 109.143 108.800 -0.030 0.000 2.339 302 G HA2 0.062 4.022 3.960 0.000 0.000 0.275 302 G HA3 0.062 4.022 3.960 0.000 0.000 0.275 302 G C -1.500 173.380 174.900 -0.034 0.000 1.323 302 G CA -0.360 44.723 45.100 -0.028 0.000 0.927 302 G HN 0.145 nan 8.290 nan 0.000 0.486 303 S N -1.382 114.298 115.700 -0.034 0.000 2.607 303 S HA 0.805 5.275 4.470 0.000 0.000 0.273 303 S C -1.042 173.540 174.600 -0.030 0.000 1.148 303 S CA -0.842 57.334 58.200 -0.042 0.000 0.833 303 S CB 1.873 65.033 63.200 -0.066 0.000 1.130 303 S HN 1.109 nan 8.310 nan 0.000 0.470 304 I N 2.079 122.625 120.570 -0.039 0.000 2.382 304 I HA 0.350 4.520 4.170 0.000 0.000 0.286 304 I C -0.445 175.624 176.117 -0.079 0.000 1.002 304 I CA -0.482 60.791 61.300 -0.044 0.000 1.135 304 I CB 1.846 39.822 38.000 -0.040 0.000 1.288 304 I HN 0.615 nan 8.210 nan 0.000 0.448 305 T N 3.924 118.420 114.554 -0.097 0.000 2.837 305 T HA 0.328 4.678 4.350 0.000 0.000 0.285 305 T C -0.090 174.485 174.700 -0.208 0.000 0.984 305 T CA -0.426 61.597 62.100 -0.129 0.000 1.049 305 T CB 1.644 70.453 68.868 -0.099 0.000 0.947 305 T HN 0.561 nan 8.240 nan 0.000 0.472 306 S N 1.861 117.422 115.700 -0.232 0.000 2.521 306 S HA 0.648 5.118 4.470 0.000 0.000 0.295 306 S C -0.925 173.476 174.600 -0.332 0.000 1.098 306 S CA -0.643 57.377 58.200 -0.300 0.000 0.999 306 S CB 0.829 63.890 63.200 -0.232 0.000 1.034 306 S HN 0.456 nan 8.310 nan 0.000 0.483 307 V N 5.498 125.175 119.914 -0.396 0.000 2.357 307 V HA 0.497 4.617 4.120 0.000 0.000 0.284 307 V C -0.647 175.373 176.094 -0.123 0.000 1.018 307 V CA -0.536 61.614 62.300 -0.250 0.000 0.841 307 V CB 1.392 33.160 31.823 -0.091 0.000 0.991 307 V HN 0.881 nan 8.190 nan 0.000 0.437 308 Q N 3.416 123.130 119.800 -0.143 0.000 2.309 308 Q HA 0.692 5.032 4.340 0.000 0.000 0.270 308 Q C -0.286 175.627 176.000 -0.145 0.000 1.023 308 Q CA -0.543 55.179 55.803 -0.134 0.000 0.758 308 Q CB 2.422 31.047 28.738 -0.187 0.000 1.247 308 Q HN 0.858 nan 8.270 nan 0.000 0.455 309 A N 4.370 127.155 122.820 -0.058 0.000 2.450 309 A HA 0.435 4.755 4.320 0.000 0.000 0.255 309 A C -0.214 177.303 177.584 -0.113 0.000 1.096 309 A CA -0.048 51.951 52.037 -0.063 0.000 0.778 309 A CB 0.120 19.150 19.000 0.050 0.000 1.031 309 A HN 0.729 nan 8.150 nan 0.000 0.494 310 I N 3.100 123.516 120.570 -0.258 0.000 2.410 310 I HA 0.151 4.322 4.170 0.000 0.000 0.286 310 I C -0.808 175.253 176.117 -0.093 0.000 1.009 310 I CA -0.453 60.712 61.300 -0.225 0.000 1.111 310 I CB 1.280 38.954 38.000 -0.543 0.000 1.262 310 I HN 0.771 nan 8.210 nan 0.000 0.443 311 Y N 7.112 127.382 120.300 -0.050 0.000 2.377 311 Y HA 0.334 4.884 4.550 0.000 0.000 0.330 311 Y C -0.397 175.375 175.900 -0.213 0.000 1.108 311 Y CA -0.118 57.902 58.100 -0.134 0.000 1.308 311 Y CB 1.073 39.414 38.460 -0.198 0.000 1.216 311 Y HN 0.291 nan 8.280 nan 0.000 0.518 312 V N 9.405 128.820 119.914 -0.832 0.000 2.311 312 V HA 0.293 4.413 4.120 0.000 0.000 0.275 312 V C -2.216 173.413 176.094 -0.774 0.000 1.022 312 V CA -2.118 59.870 62.300 -0.520 0.000 0.830 312 V CB 0.784 32.523 31.823 -0.141 0.000 1.012 312 V HN 0.730 nan 8.190 nan 0.000 0.452 313 P HA 0.158 nan 4.420 nan 0.000 0.264 313 P C 0.703 177.932 177.300 -0.120 0.000 1.193 313 P CA 0.659 63.612 63.100 -0.245 0.000 0.763 313 P CB 0.757 32.486 31.700 0.048 0.000 0.810 314 A N 3.820 126.600 122.820 -0.067 0.000 2.799 314 A HA -0.288 4.032 4.320 0.000 0.000 0.274 314 A C 1.082 178.635 177.584 -0.052 0.000 1.393 314 A CA 1.391 53.413 52.037 -0.025 0.000 0.909 314 A CB -2.466 16.542 19.000 0.014 0.000 1.012 314 A HN 0.646 nan 8.150 nan 0.000 0.653 315 D N -1.825 118.508 120.400 -0.112 0.000 3.079 315 D HA -0.192 4.448 4.640 0.000 0.000 0.214 315 D C -0.206 176.065 176.300 -0.048 0.000 1.145 315 D CA 1.854 55.805 54.000 -0.081 0.000 0.958 315 D CB -1.057 39.713 40.800 -0.051 0.000 1.117 315 D HN 0.935 nan 8.370 nan 0.000 0.416 316 D N 0.600 120.979 120.400 -0.035 0.000 2.380 316 D HA 0.215 4.855 4.640 0.000 0.000 0.230 316 D C 1.463 177.765 176.300 0.003 0.000 1.154 316 D CA -0.350 53.643 54.000 -0.011 0.000 0.859 316 D CB 0.444 41.252 40.800 0.013 0.000 1.045 316 D HN 0.138 nan 8.370 nan 0.000 0.495 317 L N 2.764 123.980 121.223 -0.012 0.000 2.465 317 L HA -0.040 4.300 4.340 0.000 0.000 0.224 317 L C 2.146 179.004 176.870 -0.021 0.000 1.145 317 L CA 0.999 55.837 54.840 -0.004 0.000 0.834 317 L CB -0.230 41.770 42.059 -0.099 0.000 0.944 317 L HN 0.488 nan 8.230 nan 0.000 0.451 318 T N -4.767 109.777 114.554 -0.017 0.000 3.129 318 T HA -0.040 4.310 4.350 0.000 0.000 0.251 318 T C 0.732 175.454 174.700 0.036 0.000 1.117 318 T CA -0.432 61.664 62.100 -0.007 0.000 1.034 318 T CB -0.258 68.601 68.868 -0.015 0.000 0.968 318 T HN 0.185 nan 8.240 nan 0.000 0.526 319 D N 2.353 122.791 120.400 0.064 0.000 2.472 319 D HA 0.043 4.683 4.640 0.000 0.000 0.237 319 D C -1.500 174.847 176.300 0.078 0.000 1.141 319 D CA -1.509 52.559 54.000 0.112 0.000 0.875 319 D CB 1.603 42.495 40.800 0.155 0.000 1.192 319 D HN 0.002 nan 8.370 nan 0.000 0.450 320 P HA -0.168 nan 4.420 nan 0.000 0.216 320 P C 0.861 178.041 177.300 -0.201 0.000 1.153 320 P CA 1.885 64.932 63.100 -0.088 0.000 0.858 320 P CB 0.097 31.724 31.700 -0.122 0.000 0.789 321 A N 0.172 122.792 122.820 -0.332 0.000 1.845 321 A HA -0.117 4.203 4.320 0.000 0.000 0.215 321 A C -0.022 177.620 177.584 0.096 0.000 1.195 321 A CA 2.192 54.131 52.037 -0.164 0.000 0.616 321 A CB -2.275 16.752 19.000 0.046 0.000 0.832 321 A HN 0.219 nan 8.150 nan 0.000 0.443 322 P HA -0.095 nan 4.420 nan 0.000 0.217 322 P C 1.592 179.123 177.300 0.385 0.000 1.150 322 P CA 1.925 65.203 63.100 0.297 0.000 0.832 322 P CB -0.206 31.698 31.700 0.341 0.000 0.787 323 A N -0.097 122.855 122.820 0.220 0.000 1.933 323 A HA -0.147 4.173 4.320 0.000 0.000 0.218 323 A C 2.298 179.986 177.584 0.172 0.000 1.175 323 A CA 2.437 54.571 52.037 0.163 0.000 0.628 323 A CB -1.873 17.162 19.000 0.059 0.000 0.814 323 A HN 0.203 nan 8.150 nan 0.000 0.444 324 T N -0.486 114.144 114.554 0.127 0.000 2.857 324 T HA -0.070 4.280 4.350 0.000 0.000 0.266 324 T C 1.982 176.814 174.700 0.220 0.000 1.048 324 T CA 1.708 63.887 62.100 0.132 0.000 1.139 324 T CB -0.435 68.478 68.868 0.075 0.000 0.874 324 T HN 0.551 nan 8.240 nan 0.000 0.455 325 T N 1.728 116.410 114.554 0.213 0.000 2.746 325 T HA -0.016 4.334 4.350 0.000 0.000 0.267 325 T C 1.557 176.371 174.700 0.191 0.000 1.039 325 T CA 0.934 63.145 62.100 0.186 0.000 1.142 325 T CB -0.562 68.355 68.868 0.083 0.000 0.866 325 T HN 0.286 nan 8.240 nan 0.000 0.444 326 F N 1.699 121.724 119.950 0.125 0.000 2.202 326 F HA -0.039 4.488 4.527 0.000 0.000 0.301 326 F C 2.560 178.391 175.800 0.051 0.000 1.082 326 F CA 0.738 58.801 58.000 0.104 0.000 1.313 326 F CB -0.434 38.618 39.000 0.087 0.000 1.024 326 F HN 0.134 nan 8.300 nan 0.000 0.495 327 A N -1.402 121.529 122.820 0.185 0.000 2.131 327 A HA -0.192 4.128 4.320 0.000 0.000 0.220 327 A C 1.557 179.038 177.584 -0.172 0.000 1.158 327 A CA 1.524 53.542 52.037 -0.032 0.000 0.665 327 A CB -0.823 18.079 19.000 -0.163 0.000 0.795 327 A HN 0.501 nan 8.150 nan 0.000 0.460 328 H N -1.506 117.593 119.070 0.049 0.000 2.652 328 H HA 0.340 4.896 4.556 0.000 0.000 0.274 328 H C -0.183 175.129 175.328 -0.027 0.000 1.021 328 H CA -0.151 55.899 56.048 0.003 0.000 1.187 328 H CB 0.199 29.950 29.762 -0.019 0.000 1.505 328 H HN 0.334 nan 8.280 nan 0.000 0.530 329 L N 0.966 122.230 121.223 0.068 0.000 2.343 329 L HA 0.193 4.533 4.340 0.000 0.000 0.275 329 L C 0.811 177.695 176.870 0.023 0.000 1.056 329 L CA -0.267 54.573 54.840 -0.000 0.000 0.804 329 L CB 1.420 43.429 42.059 -0.083 0.000 1.203 329 L HN 0.019 nan 8.230 nan 0.000 0.440 330 D N 0.952 121.348 120.400 -0.006 0.000 2.449 330 D HA 0.318 4.958 4.640 0.000 0.000 0.210 330 D C 0.182 176.494 176.300 0.020 0.000 1.094 330 D CA 0.392 54.397 54.000 0.009 0.000 0.846 330 D CB 1.652 42.445 40.800 -0.012 0.000 1.003 330 D HN 0.564 nan 8.370 nan 0.000 0.504 331 A N 0.471 123.291 122.820 0.000 0.000 2.564 331 A HA 0.617 4.937 4.320 0.000 0.000 0.291 331 A C -0.908 176.699 177.584 0.038 0.000 1.102 331 A CA -0.518 51.536 52.037 0.029 0.000 0.660 331 A CB 1.582 20.590 19.000 0.014 0.000 1.283 331 A HN -0.010 nan 8.150 nan 0.000 0.430 332 T N -1.988 112.630 114.554 0.107 0.000 2.900 332 T HA 0.768 5.118 4.350 0.000 0.000 0.303 332 T C -0.885 173.945 174.700 0.216 0.000 1.142 332 T CA -0.476 61.741 62.100 0.195 0.000 1.007 332 T CB 1.820 70.842 68.868 0.257 0.000 1.156 332 T HN 0.834 nan 8.240 nan 0.000 0.490 333 T N 1.974 116.696 114.554 0.281 0.000 2.864 333 T HA 0.537 4.887 4.350 0.000 0.000 0.299 333 T C -0.641 174.243 174.700 0.306 0.000 1.011 333 T CA -0.539 61.730 62.100 0.281 0.000 0.975 333 T CB 0.984 70.043 68.868 0.319 0.000 0.962 333 T HN 0.665 nan 8.240 nan 0.000 0.448 334 V N 5.809 125.854 119.914 0.219 0.000 2.311 334 V HA 0.410 4.530 4.120 0.000 0.000 0.275 334 V C 0.194 176.375 176.094 0.145 0.000 1.022 334 V CA -0.782 61.632 62.300 0.190 0.000 0.830 334 V CB 0.684 32.540 31.823 0.054 0.000 1.012 334 V HN 0.740 nan 8.190 nan 0.000 0.452 335 L N 3.295 124.616 121.223 0.164 0.000 2.439 335 L HA 0.687 5.027 4.340 0.000 0.000 0.259 335 L C 0.425 177.344 176.870 0.083 0.000 1.129 335 L CA -0.018 54.894 54.840 0.120 0.000 0.803 335 L CB 1.562 43.704 42.059 0.137 0.000 1.161 335 L HN 0.666 nan 8.230 nan 0.000 0.462 336 S N -0.146 115.581 115.700 0.045 0.000 2.575 336 S HA 0.319 4.789 4.470 0.000 0.000 0.278 336 S C 0.312 174.906 174.600 -0.009 0.000 1.139 336 S CA -0.804 57.407 58.200 0.018 0.000 0.954 336 S CB 1.841 65.043 63.200 0.004 0.000 1.054 336 S HN 0.688 nan 8.310 nan 0.000 0.483 337 R N 3.576 124.074 120.500 -0.004 0.000 2.092 337 R HA 0.059 4.399 4.340 0.000 0.000 0.231 337 R C 2.093 178.368 176.300 -0.042 0.000 1.119 337 R CA 2.018 58.106 56.100 -0.019 0.000 0.970 337 R CB -0.647 29.652 30.300 -0.001 0.000 0.864 337 R HN 0.754 nan 8.270 nan 0.000 0.440 338 A N 0.524 123.325 122.820 -0.033 0.000 2.019 338 A HA -0.098 4.222 4.320 0.000 0.000 0.219 338 A C 2.071 179.622 177.584 -0.054 0.000 1.164 338 A CA 1.280 53.294 52.037 -0.038 0.000 0.644 338 A CB -0.409 18.573 19.000 -0.029 0.000 0.805 338 A HN 0.395 nan 8.150 nan 0.000 0.449 339 I N -0.797 119.735 120.570 -0.063 0.000 2.333 339 I HA -0.150 4.020 4.170 0.000 0.000 0.246 339 I C 2.921 178.940 176.117 -0.165 0.000 1.106 339 I CA 0.808 62.057 61.300 -0.083 0.000 1.411 339 I CB -0.279 37.685 38.000 -0.059 0.000 1.082 339 I HN 0.327 nan 8.210 nan 0.000 0.420 340 A N 0.628 123.320 122.820 -0.213 0.000 1.902 340 A HA -0.184 4.136 4.320 0.000 0.000 0.217 340 A C 2.173 179.585 177.584 -0.287 0.000 1.181 340 A CA 1.456 53.252 52.037 -0.402 0.000 0.623 340 A CB -0.393 18.429 19.000 -0.298 0.000 0.818 340 A HN 0.325 nan 8.150 nan 0.000 0.443 341 E N 0.130 120.244 120.200 -0.144 0.000 2.150 341 E HA -0.080 4.270 4.350 0.000 0.000 0.193 341 E C 1.586 178.143 176.600 -0.073 0.000 0.985 341 E CA 0.652 57.002 56.400 -0.083 0.000 0.814 341 E CB -0.353 29.317 29.700 -0.048 0.000 0.752 341 E HN 0.664 nan 8.360 nan 0.000 0.466 342 L N -0.077 121.097 121.223 -0.081 0.000 2.645 342 L HA 0.119 4.459 4.340 0.000 0.000 0.235 342 L C 1.202 178.035 176.870 -0.062 0.000 1.150 342 L CA 0.412 55.216 54.840 -0.061 0.000 0.911 342 L CB -0.284 41.746 42.059 -0.047 0.000 1.077 342 L HN 0.224 nan 8.230 nan 0.000 0.438 343 G N 1.291 110.040 108.800 -0.085 0.000 2.157 343 G HA2 -0.298 3.662 3.960 0.000 0.000 0.248 343 G HA3 -0.298 3.662 3.960 0.000 0.000 0.248 343 G C 0.260 175.163 174.900 0.006 0.000 0.979 343 G CA 0.236 45.318 45.100 -0.030 0.000 0.650 343 G HN 0.427 nan 8.290 nan 0.000 0.529 344 I N -0.518 119.994 120.570 -0.097 0.000 2.315 344 I HA 0.777 4.947 4.170 0.000 0.000 0.291 344 I C -0.568 175.395 176.117 -0.256 0.000 1.006 344 I CA -1.303 59.971 61.300 -0.043 0.000 1.265 344 I CB 0.599 38.631 38.000 0.052 0.000 1.387 344 I HN 0.043 nan 8.210 nan 0.000 0.475 345 Y N 7.214 127.461 120.300 -0.088 0.000 2.446 345 Y HA 0.552 5.102 4.550 0.000 0.000 0.345 345 Y C -2.223 173.486 175.900 -0.318 0.000 0.984 345 Y CA -2.359 55.622 58.100 -0.198 0.000 1.058 345 Y CB 2.075 40.383 38.460 -0.254 0.000 1.220 345 Y HN 0.497 nan 8.280 nan 0.000 0.455 346 P HA 0.053 nan 4.420 nan 0.000 0.271 346 P C -0.593 176.729 177.300 0.036 0.000 1.218 346 P CA -0.162 62.926 63.100 -0.019 0.000 0.780 346 P CB 1.045 32.786 31.700 0.068 0.000 0.901 347 A N 3.405 126.255 122.820 0.049 0.000 3.033 347 A HA 0.238 4.558 4.320 0.000 0.000 0.250 347 A C 0.445 178.046 177.584 0.028 0.000 1.633 347 A CA -0.291 51.724 52.037 -0.037 0.000 1.290 347 A CB -1.185 17.748 19.000 -0.113 0.000 1.048 347 A HN 0.364 nan 8.150 nan 0.000 0.648 348 V N 1.121 121.067 119.914 0.053 0.000 2.530 348 V HA 0.087 4.207 4.120 0.000 0.000 0.282 348 V C 0.273 176.393 176.094 0.044 0.000 1.048 348 V CA -0.515 61.828 62.300 0.071 0.000 0.997 348 V CB 1.427 33.305 31.823 0.091 0.000 0.987 348 V HN 0.599 nan 8.190 nan 0.000 0.477 349 D N 7.254 127.679 120.400 0.043 0.000 2.393 349 D HA 0.226 4.866 4.640 0.000 0.000 0.232 349 D C -1.579 174.735 176.300 0.023 0.000 1.192 349 D CA -1.944 52.071 54.000 0.024 0.000 0.882 349 D CB 1.843 42.652 40.800 0.016 0.000 1.038 349 D HN 0.261 nan 8.370 nan 0.000 0.499 350 P HA -0.020 nan 4.420 nan 0.000 0.230 350 P C 1.089 178.385 177.300 -0.006 0.000 1.158 350 P CA 0.581 63.680 63.100 -0.001 0.000 0.769 350 P CB 0.288 31.977 31.700 -0.018 0.000 0.807 351 L N -1.303 119.918 121.223 -0.003 0.000 2.667 351 L HA 0.237 4.577 4.340 0.000 0.000 0.232 351 L C 1.080 177.945 176.870 -0.009 0.000 1.138 351 L CA 0.440 55.274 54.840 -0.009 0.000 0.921 351 L CB -0.074 41.977 42.059 -0.012 0.000 1.180 351 L HN -0.115 nan 8.230 nan 0.000 0.487 352 D N -0.918 119.480 120.400 -0.003 0.000 2.539 352 D HA 0.084 4.724 4.640 0.000 0.000 0.232 352 D C 0.190 176.492 176.300 0.004 0.000 1.256 352 D CA 0.192 54.185 54.000 -0.012 0.000 0.810 352 D CB 0.813 41.595 40.800 -0.030 0.000 1.090 352 D HN -0.090 nan 8.370 nan 0.000 0.519 353 S N -0.120 115.600 115.700 0.034 0.000 2.508 353 S HA 0.678 5.148 4.470 0.000 0.000 0.284 353 S C 0.180 174.822 174.600 0.071 0.000 1.192 353 S CA -0.463 57.779 58.200 0.070 0.000 1.070 353 S CB 1.705 64.966 63.200 0.103 0.000 1.004 353 S HN 0.304 nan 8.310 nan 0.000 0.493 354 T N -1.034 113.573 114.554 0.088 0.000 2.804 354 T HA 0.789 5.139 4.350 0.000 0.000 0.290 354 T C -0.729 174.031 174.700 0.100 0.000 1.099 354 T CA -0.925 61.226 62.100 0.085 0.000 1.011 354 T CB 1.688 70.599 68.868 0.071 0.000 1.291 354 T HN 0.465 nan 8.240 nan 0.000 0.523 355 S N -1.319 114.434 115.700 0.089 0.000 2.614 355 S HA 0.374 4.844 4.470 0.000 0.000 0.275 355 S C 0.482 175.120 174.600 0.063 0.000 1.161 355 S CA -0.798 57.450 58.200 0.081 0.000 0.969 355 S CB 1.517 64.771 63.200 0.089 0.000 1.059 355 S HN 0.742 nan 8.310 nan 0.000 0.482 356 R N 2.448 122.979 120.500 0.051 0.000 2.355 356 R HA 0.042 4.382 4.340 0.000 0.000 0.219 356 R C 0.500 176.817 176.300 0.028 0.000 1.107 356 R CA 1.578 57.701 56.100 0.039 0.000 1.021 356 R CB -0.561 29.758 30.300 0.031 0.000 0.852 356 R HN 0.738 nan 8.270 nan 0.000 0.475 357 I N -3.990 116.599 120.570 0.032 0.000 2.878 357 I HA 0.280 4.450 4.170 0.000 0.000 0.286 357 I C -0.910 175.220 176.117 0.022 0.000 1.593 357 I CA -0.377 60.934 61.300 0.018 0.000 0.806 357 I CB 0.944 38.947 38.000 0.005 0.000 1.811 357 I HN -0.138 nan 8.210 nan 0.000 0.593 358 M N 4.080 123.707 119.600 0.045 0.000 2.006 358 M HA 0.482 4.963 4.480 0.000 0.000 0.314 358 M C -1.873 174.482 176.300 0.092 0.000 0.926 358 M CA 0.166 55.504 55.300 0.064 0.000 0.906 358 M CB 1.026 33.693 32.600 0.111 0.000 1.422 358 M HN 0.697 nan 8.290 nan 0.000 0.397 359 D N 4.804 125.194 120.400 -0.017 0.000 2.655 359 D HA 0.523 5.163 4.640 0.000 0.000 0.229 359 D C -2.426 173.699 176.300 -0.291 0.000 1.229 359 D CA -1.157 52.717 54.000 -0.211 0.000 0.807 359 D CB 2.234 42.931 40.800 -0.172 0.000 1.514 359 D HN 0.140 nan 8.370 nan 0.000 0.444 360 P HA -0.195 nan 4.420 nan 0.000 0.218 360 P C 0.584 177.784 177.300 -0.167 0.000 1.152 360 P CA 1.492 64.387 63.100 -0.342 0.000 0.857 360 P CB -0.081 31.375 31.700 -0.408 0.000 0.787 361 N N -1.009 117.592 118.700 -0.164 0.000 2.149 361 N HA -0.123 4.617 4.740 0.000 0.000 0.188 361 N C 1.664 177.132 175.510 -0.070 0.000 1.019 361 N CA 0.868 53.862 53.050 -0.094 0.000 0.857 361 N CB -0.336 38.102 38.487 -0.082 0.000 0.997 361 N HN 0.197 nan 8.380 nan 0.000 0.426 362 I N -0.335 120.187 120.570 -0.080 0.000 2.594 362 I HA -0.102 4.068 4.170 0.000 0.000 0.237 362 I C 2.237 178.316 176.117 -0.063 0.000 1.071 362 I CA 0.433 61.697 61.300 -0.061 0.000 1.427 362 I CB -0.481 37.484 38.000 -0.057 0.000 1.218 362 I HN -0.003 nan 8.210 nan 0.000 0.444 363 V N -0.337 119.522 119.914 -0.090 0.000 2.667 363 V HA 0.329 4.449 4.120 0.000 0.000 0.252 363 V C 0.957 177.034 176.094 -0.029 0.000 1.065 363 V CA 0.467 62.687 62.300 -0.133 0.000 1.083 363 V CB -1.361 30.244 31.823 -0.363 0.000 0.692 363 V HN 0.657 nan 8.190 nan 0.000 0.468 364 G N -0.322 108.477 108.800 -0.000 0.000 3.338 364 G HA2 -0.096 3.864 3.960 0.000 0.000 0.686 364 G HA3 -0.096 3.864 3.960 0.000 0.000 0.686 364 G C 0.076 175.043 174.900 0.111 0.000 1.053 364 G CA 0.027 45.151 45.100 0.041 0.000 0.852 364 G HN 0.512 nan 8.290 nan 0.000 0.545 365 S N 1.092 116.843 115.700 0.086 0.000 2.469 365 S HA -0.394 4.076 4.470 0.000 0.000 0.309 365 S C 2.384 177.109 174.600 0.208 0.000 1.209 365 S CA 3.464 61.751 58.200 0.144 0.000 1.281 365 S CB -0.563 62.693 63.200 0.094 0.000 1.265 365 S HN 1.229 nan 8.310 nan 0.000 0.452 366 E N 0.888 121.183 120.200 0.157 0.000 2.041 366 E HA -0.356 3.994 4.350 0.000 0.000 0.227 366 E C 1.980 178.699 176.600 0.197 0.000 1.039 366 E CA 1.779 58.270 56.400 0.152 0.000 0.904 366 E CB -0.991 28.787 29.700 0.129 0.000 0.808 366 E HN 0.668 nan 8.360 nan 0.000 0.510 367 H N 0.113 119.249 119.070 0.110 0.000 2.292 367 H HA -0.264 4.292 4.556 0.000 0.000 0.292 367 H C 2.088 177.488 175.328 0.120 0.000 1.100 367 H CA 2.354 58.466 56.048 0.106 0.000 1.238 367 H CB -0.715 29.108 29.762 0.101 0.000 1.355 367 H HN 0.446 nan 8.280 nan 0.000 0.484 368 Y N 2.072 122.546 120.300 0.289 0.000 2.030 368 Y HA -0.262 4.288 4.550 0.000 0.000 0.274 368 Y C 2.538 178.504 175.900 0.111 0.000 1.153 368 Y CA 2.364 60.576 58.100 0.188 0.000 1.115 368 Y CB -0.664 37.855 38.460 0.098 0.000 0.969 368 Y HN 0.261 nan 8.280 nan 0.000 0.488 369 D N -0.510 119.967 120.400 0.128 0.000 2.133 369 D HA -0.200 4.440 4.640 0.000 0.000 0.195 369 D C 2.398 178.670 176.300 -0.046 0.000 0.997 369 D CA 1.949 55.951 54.000 0.002 0.000 0.840 369 D CB -0.568 40.286 40.800 0.090 0.000 0.947 369 D HN 0.351 nan 8.370 nan 0.000 0.452 370 V N 1.675 121.585 119.914 -0.006 0.000 2.332 370 V HA -0.256 3.864 4.120 0.000 0.000 0.248 370 V C 2.590 178.621 176.094 -0.104 0.000 1.055 370 V CA 1.861 64.146 62.300 -0.024 0.000 1.038 370 V CB -0.900 30.918 31.823 -0.008 0.000 0.651 370 V HN 0.188 nan 8.190 nan 0.000 0.450 371 A N 0.275 123.005 122.820 -0.150 0.000 1.835 371 A HA -0.188 4.132 4.320 0.000 0.000 0.215 371 A C 2.344 179.813 177.584 -0.192 0.000 1.199 371 A CA 1.616 53.542 52.037 -0.185 0.000 0.615 371 A CB -0.561 18.379 19.000 -0.100 0.000 0.838 371 A HN 0.380 nan 8.150 nan 0.000 0.444 372 R N -0.414 119.922 120.500 -0.273 0.000 2.127 372 R HA -0.133 4.207 4.340 0.000 0.000 0.238 372 R C 2.200 178.408 176.300 -0.153 0.000 1.134 372 R CA 1.267 57.205 56.100 -0.270 0.000 0.975 372 R CB -1.448 28.574 30.300 -0.463 0.000 0.865 372 R HN 0.577 nan 8.270 nan 0.000 0.447 373 G N -0.133 108.595 108.800 -0.120 0.000 2.448 373 G HA2 -0.120 3.840 3.960 0.000 0.000 0.218 373 G HA3 -0.120 3.840 3.960 0.000 0.000 0.218 373 G C 1.455 176.328 174.900 -0.044 0.000 1.135 373 G CA 0.327 45.391 45.100 -0.059 0.000 0.784 373 G HN 0.188 nan 8.290 nan 0.000 0.543 374 V N 0.163 120.034 119.914 -0.071 0.000 2.719 374 V HA -0.108 4.012 4.120 0.000 0.000 0.252 374 V C 2.728 178.790 176.094 -0.053 0.000 1.065 374 V CA 1.429 63.690 62.300 -0.064 0.000 1.086 374 V CB -0.099 31.633 31.823 -0.151 0.000 0.700 374 V HN 0.404 nan 8.190 nan 0.000 0.467 375 Q N 0.038 119.799 119.800 -0.065 0.000 2.187 375 Q HA -0.195 4.145 4.340 0.000 0.000 0.199 375 Q C 2.224 178.212 176.000 -0.021 0.000 0.957 375 Q CA 1.324 57.101 55.803 -0.043 0.000 0.857 375 Q CB -0.061 28.645 28.738 -0.053 0.000 0.929 375 Q HN 0.593 nan 8.270 nan 0.000 0.453 376 K N 1.019 121.405 120.400 -0.023 0.000 2.062 376 K HA -0.150 4.170 4.320 0.000 0.000 0.205 376 K C 1.888 178.495 176.600 0.011 0.000 1.051 376 K CA 0.756 57.039 56.287 -0.008 0.000 0.941 376 K CB -0.143 32.350 32.500 -0.011 0.000 0.719 376 K HN 0.031 nan 8.250 nan 0.000 0.440 377 I N 1.184 121.762 120.570 0.013 0.000 2.208 377 I HA -0.231 3.939 4.170 0.000 0.000 0.245 377 I C 1.762 177.922 176.117 0.072 0.000 1.097 377 I CA 1.396 62.715 61.300 0.033 0.000 1.363 377 I CB -0.112 37.899 38.000 0.018 0.000 1.051 377 I HN 0.242 nan 8.210 nan 0.000 0.413 378 L N -0.593 120.667 121.223 0.063 0.000 2.005 378 L HA -0.234 4.106 4.340 0.000 0.000 0.207 378 L C 2.495 179.408 176.870 0.072 0.000 1.072 378 L CA 1.657 56.555 54.840 0.096 0.000 0.744 378 L CB -0.772 41.321 42.059 0.056 0.000 0.895 378 L HN 0.318 nan 8.230 nan 0.000 0.433 379 Q N -0.367 119.451 119.800 0.030 0.000 2.437 379 Q HA -0.184 4.156 4.340 0.000 0.000 0.210 379 Q C 1.198 177.207 176.000 0.015 0.000 0.972 379 Q CA 0.936 56.744 55.803 0.008 0.000 0.903 379 Q CB 0.220 28.956 28.738 -0.004 0.000 0.967 379 Q HN 0.459 nan 8.270 nan 0.000 0.486 380 D N -0.983 119.444 120.400 0.046 0.000 2.201 380 D HA -0.112 4.528 4.640 0.000 0.000 0.209 380 D C 1.297 177.654 176.300 0.096 0.000 0.961 380 D CA 0.564 54.596 54.000 0.053 0.000 0.861 380 D CB -0.232 40.598 40.800 0.050 0.000 0.997 380 D HN 0.273 nan 8.370 nan 0.000 0.486 381 Y N 2.170 122.463 120.300 -0.012 0.000 2.274 381 Y HA -0.098 4.452 4.550 0.000 0.000 0.290 381 Y C 1.996 177.889 175.900 -0.012 0.000 1.145 381 Y CA 1.286 59.380 58.100 -0.011 0.000 1.203 381 Y CB -0.098 38.355 38.460 -0.011 0.000 0.984 381 Y HN -0.189 nan 8.280 nan 0.000 0.533 382 K N -0.300 119.992 120.400 -0.180 0.000 2.103 382 K HA -0.156 4.164 4.320 0.000 0.000 0.207 382 K C 2.112 178.600 176.600 -0.187 0.000 1.048 382 K CA 1.611 57.740 56.287 -0.263 0.000 0.930 382 K CB -0.069 32.350 32.500 -0.135 0.000 0.716 382 K HN 0.369 nan 8.250 nan 0.000 0.444 383 S N 1.389 117.032 115.700 -0.095 0.000 2.356 383 S HA -0.117 4.353 4.470 0.000 0.000 0.223 383 S C 1.801 176.364 174.600 -0.062 0.000 1.032 383 S CA 1.082 59.245 58.200 -0.061 0.000 1.005 383 S CB -0.280 62.906 63.200 -0.024 0.000 0.867 383 S HN 0.269 nan 8.310 nan 0.000 0.449 384 L N 1.500 122.698 121.223 -0.041 0.000 2.549 384 L HA -0.098 4.242 4.340 0.000 0.000 0.229 384 L C 2.596 179.438 176.870 -0.045 0.000 1.158 384 L CA 0.621 55.458 54.840 -0.005 0.000 0.842 384 L CB -0.595 41.515 42.059 0.085 0.000 0.952 384 L HN 0.390 nan 8.230 nan 0.000 0.452 385 Q N -0.066 119.641 119.800 -0.155 0.000 2.020 385 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 385 Q C 1.673 177.624 176.000 -0.083 0.000 0.982 385 Q CA 1.624 57.322 55.803 -0.174 0.000 0.838 385 Q CB -0.067 28.497 28.738 -0.291 0.000 0.899 385 Q HN 0.457 nan 8.270 nan 0.000 0.423 386 D N 0.850 121.208 120.400 -0.071 0.000 2.156 386 D HA -0.229 4.411 4.640 0.000 0.000 0.190 386 D C 1.814 178.098 176.300 -0.025 0.000 0.998 386 D CA 1.293 55.267 54.000 -0.044 0.000 0.842 386 D CB -0.467 40.310 40.800 -0.038 0.000 0.974 386 D HN 0.237 nan 8.370 nan 0.000 0.447 387 I N 0.516 121.075 120.570 -0.018 0.000 2.185 387 I HA -0.295 3.875 4.170 0.000 0.000 0.246 387 I C 2.276 178.395 176.117 0.003 0.000 1.088 387 I CA 1.314 62.611 61.300 -0.005 0.000 1.347 387 I CB -0.065 37.935 38.000 -0.001 0.000 1.041 387 I HN 0.003 nan 8.210 nan 0.000 0.415 388 I N 1.044 121.620 120.570 0.009 0.000 2.142 388 I HA -0.285 3.885 4.170 0.000 0.000 0.240 388 I C 2.795 178.920 176.117 0.014 0.000 1.078 388 I CA 1.467 62.781 61.300 0.024 0.000 1.343 388 I CB -0.681 37.352 38.000 0.056 0.000 1.046 388 I HN 0.345 nan 8.210 nan 0.000 0.405 389 A N 0.916 123.737 122.820 0.002 0.000 1.873 389 A HA -0.135 4.185 4.320 0.000 0.000 0.215 389 A C 2.188 179.770 177.584 -0.003 0.000 1.186 389 A CA 1.366 53.401 52.037 -0.002 0.000 0.616 389 A CB -0.455 18.538 19.000 -0.013 0.000 0.823 389 A HN 0.262 nan 8.150 nan 0.000 0.442 390 I N -0.351 120.215 120.570 -0.006 0.000 2.201 390 I HA -0.077 4.093 4.170 0.000 0.000 0.233 390 I C 2.342 178.458 176.117 -0.002 0.000 1.067 390 I CA 1.058 62.355 61.300 -0.006 0.000 1.354 390 I CB -1.628 36.367 38.000 -0.008 0.000 1.108 390 I HN 0.209 nan 8.210 nan 0.000 0.411 391 L N 0.318 121.541 121.223 -0.001 0.000 2.465 391 L HA 0.164 4.504 4.340 0.000 0.000 0.224 391 L C 0.755 177.628 176.870 0.005 0.000 1.145 391 L CA 0.481 55.322 54.840 0.002 0.000 0.834 391 L CB -0.715 41.345 42.059 0.002 0.000 0.944 391 L HN 0.556 nan 8.230 nan 0.000 0.451 392 G N 0.030 108.834 108.800 0.007 0.000 2.907 392 G HA2 -0.246 3.714 3.960 0.000 0.000 0.686 392 G HA3 -0.246 3.714 3.960 0.000 0.000 0.686 392 G C -0.303 174.606 174.900 0.015 0.000 1.115 392 G CA -0.505 44.601 45.100 0.010 0.000 0.760 392 G HN 0.020 nan 8.290 nan 0.000 0.620 393 M N 1.567 121.178 119.600 0.020 0.000 3.722 393 M HA 0.158 4.638 4.480 0.000 0.000 0.183 393 M C 0.709 177.020 176.300 0.020 0.000 1.485 393 M CA 0.745 56.061 55.300 0.027 0.000 1.685 393 M CB -0.325 32.294 32.600 0.031 0.000 1.198 393 M HN 0.621 nan 8.290 nan 0.000 0.494 394 D N -0.787 119.623 120.400 0.016 0.000 2.186 394 D HA -0.003 4.637 4.640 0.000 0.000 0.316 394 D C 0.927 177.234 176.300 0.011 0.000 1.071 394 D CA 0.268 54.275 54.000 0.012 0.000 0.869 394 D CB 0.469 41.274 40.800 0.009 0.000 1.623 394 D HN 0.358 nan 8.370 nan 0.000 0.531 395 E N 0.681 120.888 120.200 0.011 0.000 2.515 395 E HA -0.017 4.333 4.350 0.000 0.000 0.201 395 E C 0.473 177.080 176.600 0.012 0.000 1.071 395 E CA 0.219 56.625 56.400 0.010 0.000 0.880 395 E CB 0.373 30.078 29.700 0.008 0.000 0.828 395 E HN 0.399 nan 8.360 nan 0.000 0.540 396 L N 1.790 123.022 121.223 0.016 0.000 2.410 396 L HA 0.011 4.351 4.340 0.000 0.000 0.273 396 L C 1.046 177.924 176.870 0.013 0.000 1.152 396 L CA -0.280 54.571 54.840 0.018 0.000 0.855 396 L CB 0.775 42.849 42.059 0.025 0.000 1.129 396 L HN -0.054 nan 8.230 nan 0.000 0.463 397 S N 1.207 116.915 115.700 0.013 0.000 2.589 397 S HA 0.028 4.498 4.470 0.000 0.000 0.265 397 S C 0.965 175.570 174.600 0.008 0.000 1.342 397 S CA -0.467 57.739 58.200 0.009 0.000 1.005 397 S CB 1.182 64.387 63.200 0.009 0.000 0.909 397 S HN 0.680 nan 8.310 nan 0.000 0.555 398 E N 0.820 121.024 120.200 0.006 0.000 2.118 398 E HA -0.139 4.211 4.350 0.000 0.000 0.195 398 E C 1.838 178.440 176.600 0.004 0.000 0.992 398 E CA 1.878 58.281 56.400 0.004 0.000 0.804 398 E CB -0.199 29.503 29.700 0.003 0.000 0.741 398 E HN 0.799 nan 8.360 nan 0.000 0.458 399 E N -0.013 120.190 120.200 0.005 0.000 2.001 399 E HA -0.185 4.165 4.350 0.000 0.000 0.195 399 E C 1.845 178.449 176.600 0.007 0.000 1.002 399 E CA 1.272 57.675 56.400 0.005 0.000 0.819 399 E CB -0.209 29.494 29.700 0.006 0.000 0.769 399 E HN 0.253 nan 8.360 nan 0.000 0.454 400 D N 0.686 121.094 120.400 0.012 0.000 2.149 400 D HA -0.177 4.463 4.640 0.000 0.000 0.194 400 D C 1.780 178.091 176.300 0.018 0.000 1.001 400 D CA 1.161 55.174 54.000 0.021 0.000 0.849 400 D CB -0.145 40.670 40.800 0.027 0.000 0.939 400 D HN 0.072 nan 8.370 nan 0.000 0.449 401 K N -0.219 120.189 120.400 0.012 0.000 2.218 401 K HA -0.172 4.148 4.320 0.000 0.000 0.205 401 K C 1.983 178.576 176.600 -0.012 0.000 1.046 401 K CA 0.404 56.694 56.287 0.005 0.000 0.933 401 K CB -0.112 32.391 32.500 0.004 0.000 0.728 401 K HN 0.085 nan 8.250 nan 0.000 0.454 402 L N 0.953 122.170 121.223 -0.011 0.000 2.044 402 L HA -0.144 4.196 4.340 0.000 0.000 0.205 402 L C 2.476 179.325 176.870 -0.036 0.000 1.075 402 L CA 2.049 56.876 54.840 -0.022 0.000 0.747 402 L CB -0.990 41.062 42.059 -0.013 0.000 0.903 402 L HN 0.291 nan 8.230 nan 0.000 0.435 403 T N -4.038 110.504 114.554 -0.020 0.000 2.778 403 T HA -0.194 4.156 4.350 0.000 0.000 0.269 403 T C 1.875 176.532 174.700 -0.071 0.000 1.050 403 T CA 1.645 63.733 62.100 -0.021 0.000 1.137 403 T CB -1.105 67.774 68.868 0.018 0.000 0.860 403 T HN 0.127 nan 8.240 nan 0.000 0.468 404 V N 2.564 122.424 119.914 -0.090 0.000 2.244 404 V HA -0.162 3.958 4.120 0.000 0.000 0.244 404 V C 3.227 179.128 176.094 -0.323 0.000 1.042 404 V CA 2.183 64.331 62.300 -0.254 0.000 1.006 404 V CB -0.950 30.805 31.823 -0.113 0.000 0.641 404 V HN 0.806 nan 8.190 nan 0.000 0.446 405 S N 0.291 115.883 115.700 -0.181 0.000 2.382 405 S HA -0.244 4.226 4.470 0.000 0.000 0.228 405 S C 2.040 176.532 174.600 -0.179 0.000 1.027 405 S CA 1.458 59.562 58.200 -0.160 0.000 0.991 405 S CB -0.519 62.628 63.200 -0.088 0.000 0.823 405 S HN 0.548 nan 8.310 nan 0.000 0.469 406 R N 1.551 121.960 120.500 -0.153 0.000 2.070 406 R HA 0.056 4.396 4.340 0.000 0.000 0.233 406 R C 2.856 179.053 176.300 -0.172 0.000 1.137 406 R CA 1.367 57.379 56.100 -0.147 0.000 0.945 406 R CB -0.915 29.331 30.300 -0.090 0.000 0.845 406 R HN 0.557 nan 8.270 nan 0.000 0.430 407 A N 1.561 124.268 122.820 -0.188 0.000 1.851 407 A HA -0.215 4.105 4.320 0.000 0.000 0.216 407 A C 2.116 179.567 177.584 -0.222 0.000 1.195 407 A CA 1.569 53.496 52.037 -0.184 0.000 0.622 407 A CB -0.540 18.322 19.000 -0.230 0.000 0.831 407 A HN 0.261 nan 8.150 nan 0.000 0.444 408 R N -0.252 120.020 120.500 -0.380 0.000 2.117 408 R HA -0.163 4.177 4.340 0.000 0.000 0.243 408 R C 2.207 178.422 176.300 -0.142 0.000 1.143 408 R CA 1.705 57.652 56.100 -0.256 0.000 0.968 408 R CB -0.350 29.786 30.300 -0.273 0.000 0.863 408 R HN 0.538 nan 8.270 nan 0.000 0.444 409 K N 0.589 120.861 120.400 -0.212 0.000 2.057 409 K HA -0.064 4.256 4.320 0.000 0.000 0.206 409 K C 2.098 178.528 176.600 -0.283 0.000 1.050 409 K CA 1.209 57.287 56.287 -0.349 0.000 0.935 409 K CB -0.090 32.051 32.500 -0.598 0.000 0.715 409 K HN 0.143 nan 8.250 nan 0.000 0.439 410 I N 1.463 121.949 120.570 -0.139 0.000 2.315 410 I HA -0.291 3.879 4.170 0.000 0.000 0.248 410 I C 2.433 178.673 176.117 0.205 0.000 1.117 410 I CA 1.020 62.384 61.300 0.108 0.000 1.404 410 I CB -0.311 37.785 38.000 0.161 0.000 1.071 410 I HN 0.226 nan 8.210 nan 0.000 0.419 411 Q N 1.001 120.865 119.800 0.106 0.000 2.062 411 Q HA -0.256 4.084 4.340 0.000 0.000 0.209 411 Q C 2.338 178.442 176.000 0.174 0.000 0.996 411 Q CA 1.853 57.733 55.803 0.129 0.000 0.859 411 Q CB -0.463 28.334 28.738 0.099 0.000 0.920 411 Q HN 0.582 nan 8.270 nan 0.000 0.415 412 R N -0.591 120.018 120.500 0.182 0.000 2.148 412 R HA -0.036 4.304 4.340 0.000 0.000 0.223 412 R C 2.081 178.552 176.300 0.286 0.000 1.088 412 R CA 0.583 56.845 56.100 0.271 0.000 0.985 412 R CB -0.300 30.203 30.300 0.339 0.000 0.880 412 R HN 0.111 nan 8.270 nan 0.000 0.451 413 F N 1.463 121.465 119.950 0.086 0.000 2.333 413 F HA -0.033 4.494 4.527 0.000 0.000 0.300 413 F C 1.537 177.448 175.800 0.186 0.000 1.083 413 F CA 0.973 58.981 58.000 0.015 0.000 1.395 413 F CB 0.023 38.828 39.000 -0.325 0.000 1.056 413 F HN -0.084 nan 8.300 nan 0.000 0.529 414 L N -0.554 120.852 121.223 0.305 0.000 2.313 414 L HA -0.032 4.308 4.340 0.000 0.000 0.214 414 L C 1.443 178.353 176.870 0.068 0.000 1.119 414 L CA 0.381 55.352 54.840 0.218 0.000 0.809 414 L CB -0.853 41.307 42.059 0.167 0.000 0.933 414 L HN 0.079 nan 8.230 nan 0.000 0.449 415 S N -0.164 115.567 115.700 0.052 0.000 2.585 415 S HA 0.314 4.784 4.470 0.000 0.000 0.273 415 S C -0.325 174.210 174.600 -0.109 0.000 1.339 415 S CA -0.497 57.684 58.200 -0.031 0.000 1.028 415 S CB 1.724 64.903 63.200 -0.034 0.000 0.906 415 S HN 0.284 nan 8.310 nan 0.000 0.528 416 Q N 0.825 120.528 119.800 -0.161 0.000 2.327 416 Q HA 0.408 4.748 4.340 0.000 0.000 0.265 416 Q C -3.111 172.757 176.000 -0.221 0.000 0.993 416 Q CA -1.897 53.823 55.803 -0.138 0.000 0.885 416 Q CB 2.304 31.050 28.738 0.014 0.000 1.379 416 Q HN 0.536 nan 8.270 nan 0.000 0.408 417 P HA 0.169 nan 4.420 nan 0.000 0.282 417 P C -1.083 176.307 177.300 0.149 0.000 1.274 417 P CA 0.328 63.391 63.100 -0.062 0.000 0.770 417 P CB 0.127 31.809 31.700 -0.030 0.000 0.867 418 F N 1.606 121.552 119.950 -0.007 0.000 2.399 418 F HA 0.163 4.690 4.527 0.000 0.000 0.334 418 F C 2.295 178.088 175.800 -0.011 0.000 1.097 418 F CA -0.806 57.191 58.000 -0.005 0.000 1.076 418 F CB 1.747 40.752 39.000 0.008 0.000 1.162 418 F HN 0.321 nan 8.300 nan 0.000 0.495 419 Q N 2.251 122.144 119.800 0.154 0.000 2.029 419 Q HA -0.220 4.120 4.340 0.000 0.000 0.209 419 Q C 1.777 177.798 176.000 0.034 0.000 0.999 419 Q CA 2.888 58.720 55.803 0.049 0.000 0.857 419 Q CB -0.543 28.189 28.738 -0.011 0.000 0.926 419 Q HN 0.645 nan 8.270 nan 0.000 0.415 420 V N -1.671 118.266 119.914 0.037 0.000 3.330 420 V HA 0.081 4.201 4.120 0.000 0.000 0.273 420 V C 1.662 177.771 176.094 0.026 0.000 1.179 420 V CA 1.509 63.811 62.300 0.004 0.000 1.174 420 V CB -1.116 30.712 31.823 0.008 0.000 0.794 420 V HN 0.448 nan 8.190 nan 0.000 0.527 421 A N -0.262 122.637 122.820 0.132 0.000 2.267 421 A HA 0.207 4.527 4.320 0.000 0.000 0.213 421 A C 1.911 179.520 177.584 0.041 0.000 1.192 421 A CA 0.542 52.700 52.037 0.203 0.000 0.851 421 A CB -0.241 18.889 19.000 0.217 0.000 0.881 421 A HN 0.582 nan 8.150 nan 0.000 0.494 422 E N -0.318 119.865 120.200 -0.027 0.000 2.097 422 E HA -0.190 4.160 4.350 0.000 0.000 0.196 422 E C 1.751 178.272 176.600 -0.132 0.000 1.000 422 E CA 1.396 57.769 56.400 -0.045 0.000 0.804 422 E CB -0.322 29.349 29.700 -0.048 0.000 0.740 422 E HN 0.376 nan 8.360 nan 0.000 0.454 423 V N 0.339 120.067 119.914 -0.310 0.000 2.720 423 V HA -0.230 3.890 4.120 0.000 0.000 0.256 423 V C 1.327 177.205 176.094 -0.360 0.000 1.082 423 V CA 1.538 63.606 62.300 -0.387 0.000 1.101 423 V CB -0.345 31.152 31.823 -0.544 0.000 0.693 423 V HN 0.199 nan 8.190 nan 0.000 0.479 424 F N 0.632 120.569 119.950 -0.021 0.000 2.204 424 F HA 0.001 4.529 4.527 0.000 0.000 0.276 424 F C 2.783 178.588 175.800 0.008 0.000 1.085 424 F CA 1.334 59.319 58.000 -0.024 0.000 1.160 424 F CB -1.185 37.770 39.000 -0.075 0.000 1.091 424 F HN 0.185 nan 8.300 nan 0.000 0.522 425 T N -2.146 112.555 114.554 0.244 0.000 2.995 425 T HA 0.201 4.551 4.350 0.000 0.000 0.269 425 T C 1.844 176.710 174.700 0.276 0.000 1.091 425 T CA 0.927 63.175 62.100 0.247 0.000 1.128 425 T CB -0.370 68.633 68.868 0.224 0.000 0.891 425 T HN 0.658 nan 8.240 nan 0.000 0.492 426 G N 0.848 109.721 108.800 0.121 0.000 2.205 426 G HA2 -0.246 3.714 3.960 0.000 0.000 0.261 426 G HA3 -0.246 3.714 3.960 0.000 0.000 0.261 426 G C -0.056 174.778 174.900 -0.110 0.000 0.980 426 G CA 0.354 45.439 45.100 -0.024 0.000 0.632 426 G HN 0.784 nan 8.290 nan 0.000 0.533 427 H N -0.282 118.786 119.070 -0.003 0.000 2.505 427 H HA 0.660 5.216 4.556 0.000 0.000 0.355 427 H C 1.138 176.459 175.328 -0.011 0.000 1.179 427 H CA -0.578 55.465 56.048 -0.008 0.000 1.343 427 H CB 0.749 30.505 29.762 -0.010 0.000 1.501 427 H HN 0.221 nan 8.280 nan 0.000 0.569 428 L N 1.133 122.413 121.223 0.095 0.000 2.483 428 L HA 0.185 4.525 4.340 0.000 0.000 0.275 428 L C 1.240 178.147 176.870 0.061 0.000 1.220 428 L CA 0.071 54.941 54.840 0.050 0.000 0.833 428 L CB 0.373 42.449 42.059 0.029 0.000 1.102 428 L HN 0.755 nan 8.230 nan 0.000 0.490 429 G N 2.168 110.997 108.800 0.049 0.000 2.462 429 G HA2 0.535 4.495 3.960 0.000 0.000 0.319 429 G HA3 0.535 4.495 3.960 0.000 0.000 0.319 429 G C -0.969 173.961 174.900 0.050 0.000 1.171 429 G CA -0.527 44.614 45.100 0.070 0.000 0.920 429 G HN 0.452 nan 8.290 nan 0.000 0.499 430 K N 0.390 120.830 120.400 0.067 0.000 2.501 430 K HA 0.322 4.642 4.320 0.000 0.000 0.252 430 K C -1.808 174.814 176.600 0.037 0.000 0.934 430 K CA -0.931 55.379 56.287 0.038 0.000 0.797 430 K CB 2.725 35.239 32.500 0.024 0.000 1.270 430 K HN 0.311 nan 8.250 nan 0.000 0.431 431 L N 3.386 124.614 121.223 0.008 0.000 2.276 431 L HA 0.330 4.670 4.340 0.000 0.000 0.286 431 L C -1.149 175.718 176.870 -0.005 0.000 1.024 431 L CA -0.699 54.135 54.840 -0.009 0.000 0.826 431 L CB 1.257 43.300 42.059 -0.025 0.000 1.211 431 L HN 0.325 nan 8.230 nan 0.000 0.422 432 V N 7.345 127.256 119.914 -0.004 0.000 2.333 432 V HA 0.442 4.562 4.120 0.000 0.000 0.274 432 V C -2.004 174.095 176.094 0.008 0.000 1.028 432 V CA -1.687 60.612 62.300 -0.000 0.000 0.851 432 V CB 0.927 32.739 31.823 -0.018 0.000 1.000 432 V HN 0.672 nan 8.190 nan 0.000 0.456 433 P HA 0.028 nan 4.420 nan 0.000 0.266 433 P C 0.823 178.148 177.300 0.041 0.000 1.195 433 P CA -0.209 62.905 63.100 0.022 0.000 0.768 433 P CB 0.751 32.464 31.700 0.023 0.000 0.838 434 L N 4.496 125.748 121.223 0.048 0.000 2.021 434 L HA -0.241 4.099 4.340 0.000 0.000 0.215 434 L C 2.256 179.173 176.870 0.078 0.000 1.074 434 L CA 2.073 56.956 54.840 0.073 0.000 0.760 434 L CB -1.035 41.085 42.059 0.102 0.000 0.889 434 L HN 0.359 nan 8.230 nan 0.000 0.433 435 K N -0.708 119.735 120.400 0.071 0.000 2.000 435 K HA -0.243 4.077 4.320 0.000 0.000 0.218 435 K C 1.862 178.511 176.600 0.081 0.000 1.053 435 K CA 2.135 58.465 56.287 0.071 0.000 0.946 435 K CB -0.164 32.369 32.500 0.055 0.000 0.723 435 K HN 0.408 nan 8.250 nan 0.000 0.446 436 E N -0.137 120.109 120.200 0.075 0.000 2.204 436 E HA -0.121 4.229 4.350 0.000 0.000 0.194 436 E C 2.008 178.688 176.600 0.133 0.000 0.989 436 E CA 1.223 57.678 56.400 0.092 0.000 0.824 436 E CB -0.426 29.317 29.700 0.073 0.000 0.756 436 E HN 0.400 nan 8.360 nan 0.000 0.477 437 T N 2.070 116.699 114.554 0.125 0.000 2.735 437 T HA -0.031 4.319 4.350 0.000 0.000 0.256 437 T C 1.929 176.793 174.700 0.275 0.000 1.042 437 T CA 0.561 62.774 62.100 0.188 0.000 1.147 437 T CB -0.049 68.898 68.868 0.131 0.000 0.865 437 T HN 0.020 nan 8.240 nan 0.000 0.421 438 I N 1.884 122.545 120.570 0.152 0.000 2.194 438 I HA -0.169 4.002 4.170 0.000 0.000 0.246 438 I C 2.377 178.594 176.117 0.167 0.000 1.093 438 I CA 1.500 62.869 61.300 0.114 0.000 1.355 438 I CB -1.151 36.876 38.000 0.045 0.000 1.046 438 I HN 0.295 nan 8.210 nan 0.000 0.413 439 K N 1.132 121.618 120.400 0.142 0.000 1.969 439 K HA -0.191 4.129 4.320 0.000 0.000 0.216 439 K C 2.185 178.859 176.600 0.123 0.000 1.048 439 K CA 2.058 58.417 56.287 0.119 0.000 0.948 439 K CB -0.755 31.803 32.500 0.097 0.000 0.726 439 K HN 0.323 nan 8.250 nan 0.000 0.442 440 G N 0.315 109.184 108.800 0.115 0.000 2.550 440 G HA2 -0.268 3.692 3.960 0.000 0.000 0.222 440 G HA3 -0.268 3.692 3.960 0.000 0.000 0.222 440 G C 1.363 176.181 174.900 -0.136 0.000 1.113 440 G CA 1.123 46.197 45.100 -0.043 0.000 0.748 440 G HN 0.369 nan 8.290 nan 0.000 0.585 441 F N -0.178 119.859 119.950 0.146 0.000 2.512 441 F HA 0.126 4.653 4.527 0.000 0.000 0.296 441 F C 2.820 178.636 175.800 0.027 0.000 1.110 441 F CA 0.990 59.045 58.000 0.091 0.000 1.446 441 F CB 0.089 39.157 39.000 0.113 0.000 1.092 441 F HN 0.159 nan 8.300 nan 0.000 0.554 442 Q N 0.340 120.256 119.800 0.193 0.000 2.119 442 Q HA -0.220 4.120 4.340 0.000 0.000 0.201 442 Q C 1.976 178.025 176.000 0.083 0.000 0.972 442 Q CA 1.552 57.426 55.803 0.118 0.000 0.847 442 Q CB 0.060 28.856 28.738 0.097 0.000 0.903 442 Q HN 0.493 nan 8.270 nan 0.000 0.433 443 Q N 0.178 120.026 119.800 0.080 0.000 1.921 443 Q HA -0.204 4.136 4.340 0.000 0.000 0.208 443 Q C 2.017 178.053 176.000 0.060 0.000 0.994 443 Q CA 1.510 57.360 55.803 0.079 0.000 0.857 443 Q CB -0.271 28.570 28.738 0.171 0.000 0.925 443 Q HN 0.310 nan 8.270 nan 0.000 0.421 444 I N 0.869 121.466 120.570 0.045 0.000 3.622 444 I HA -0.468 3.702 4.170 0.000 0.000 0.171 444 I C 2.344 178.458 176.117 -0.005 0.000 0.765 444 I CA 1.843 63.136 61.300 -0.012 0.000 1.020 444 I CB -1.792 36.156 38.000 -0.086 0.000 0.803 444 I HN 0.392 nan 8.210 nan 0.000 0.300 445 L N -0.243 120.982 121.223 0.004 0.000 2.064 445 L HA -0.394 3.946 4.340 0.000 0.000 0.234 445 L C 2.752 179.617 176.870 -0.007 0.000 1.103 445 L CA 2.643 57.483 54.840 -0.001 0.000 0.824 445 L CB -0.769 41.296 42.059 0.010 0.000 0.919 445 L HN 0.559 nan 8.230 nan 0.000 0.447 446 A N -1.097 121.720 122.820 -0.005 0.000 1.883 446 A HA -0.295 4.025 4.320 0.000 0.000 0.222 446 A C 1.837 179.401 177.584 -0.034 0.000 1.339 446 A CA 3.150 55.175 52.037 -0.020 0.000 0.692 446 A CB -1.196 17.785 19.000 -0.031 0.000 0.845 446 A HN 0.917 nan 8.150 nan 0.000 0.467 447 G N -2.643 106.128 108.800 -0.048 0.000 2.198 447 G HA2 -0.140 3.820 3.960 0.000 0.000 0.156 447 G HA3 -0.140 3.820 3.960 0.000 0.000 0.156 447 G C 0.321 175.146 174.900 -0.125 0.000 1.012 447 G CA 0.737 45.806 45.100 -0.052 0.000 0.692 447 G HN 0.534 nan 8.290 nan 0.000 0.492 448 E N -0.698 119.337 120.200 -0.275 0.000 2.492 448 E HA -0.099 4.251 4.350 0.000 0.000 0.204 448 E C 0.722 176.765 176.600 -0.928 0.000 1.073 448 E CA 1.084 57.139 56.400 -0.575 0.000 0.887 448 E CB -0.184 29.014 29.700 -0.835 0.000 0.813 448 E HN 0.821 nan 8.360 nan 0.000 0.562 449 Y N -1.460 118.766 120.300 -0.123 0.000 2.738 449 Y HA 0.108 4.658 4.550 0.000 0.000 0.249 449 Y C 0.945 176.688 175.900 -0.263 0.000 1.157 449 Y CA -0.678 57.273 58.100 -0.248 0.000 1.189 449 Y CB 0.647 39.173 38.460 0.110 0.000 1.262 449 Y HN -0.099 nan 8.280 nan 0.000 0.554 450 D N 0.455 120.798 120.400 -0.094 0.000 2.116 450 D HA -0.222 4.418 4.640 0.000 0.000 0.193 450 D C 2.055 178.354 176.300 -0.000 0.000 0.998 450 D CA 2.120 56.113 54.000 -0.011 0.000 0.836 450 D CB -0.356 40.466 40.800 0.037 0.000 0.951 450 D HN 0.589 nan 8.370 nan 0.000 0.449 451 H N -0.060 119.044 119.070 0.057 0.000 2.389 451 H HA -0.024 4.532 4.556 0.000 0.000 0.299 451 H C 1.217 176.597 175.328 0.086 0.000 1.081 451 H CA 0.101 56.180 56.048 0.050 0.000 1.345 451 H CB -0.742 29.035 29.762 0.025 0.000 1.393 451 H HN 0.111 nan 8.280 nan 0.000 0.520 452 L N 4.365 125.350 121.223 -0.396 0.000 2.584 452 L HA 0.080 4.420 4.340 0.000 0.000 0.272 452 L C -2.106 174.811 176.870 0.079 0.000 1.195 452 L CA -1.017 53.768 54.840 -0.091 0.000 0.920 452 L CB 0.569 42.632 42.059 0.008 0.000 1.173 452 L HN 0.160 nan 8.230 nan 0.000 0.489 453 P HA 0.084 nan 4.420 nan 0.000 0.274 453 P C -0.146 177.252 177.300 0.164 0.000 1.246 453 P CA -0.299 62.848 63.100 0.079 0.000 0.795 453 P CB 0.445 32.167 31.700 0.037 0.000 1.006 454 E N 0.048 120.340 120.200 0.153 0.000 2.357 454 E HA -0.090 4.260 4.350 0.000 0.000 0.194 454 E C 0.978 177.688 176.600 0.184 0.000 1.177 454 E CA 0.203 56.728 56.400 0.208 0.000 0.998 454 E CB -0.097 29.651 29.700 0.081 0.000 1.106 454 E HN 0.332 nan 8.360 nan 0.000 0.470 455 Q N -1.089 118.777 119.800 0.109 0.000 2.511 455 Q HA 0.152 4.492 4.340 0.000 0.000 0.236 455 Q C 1.785 177.788 176.000 0.005 0.000 0.893 455 Q CA 0.514 56.373 55.803 0.092 0.000 0.947 455 Q CB -0.047 28.723 28.738 0.054 0.000 1.110 455 Q HN 0.223 nan 8.270 nan 0.000 0.591 456 A N -0.098 122.602 122.820 -0.199 0.000 2.276 456 A HA 0.009 4.329 4.320 0.000 0.000 0.205 456 A C 1.075 178.329 177.584 -0.550 0.000 1.234 456 A CA 0.672 52.477 52.037 -0.386 0.000 0.797 456 A CB -0.769 17.916 19.000 -0.526 0.000 0.769 456 A HN 0.251 nan 8.150 nan 0.000 0.491 457 F N -3.445 116.506 119.950 0.003 0.000 2.711 457 F HA 0.222 4.749 4.527 0.000 0.000 0.296 457 F C 0.591 176.486 175.800 0.158 0.000 1.096 457 F CA -0.557 57.471 58.000 0.046 0.000 1.280 457 F CB 0.316 39.296 39.000 -0.032 0.000 1.060 457 F HN 0.253 nan 8.300 nan 0.000 0.608 458 Y N 2.382 122.781 120.300 0.165 0.000 2.365 458 Y HA 0.346 4.896 4.550 0.000 0.000 0.340 458 Y C 0.366 176.290 175.900 0.041 0.000 1.016 458 Y CA -1.574 56.582 58.100 0.094 0.000 1.196 458 Y CB 0.230 38.723 38.460 0.055 0.000 1.167 458 Y HN 0.099 nan 8.280 nan 0.000 0.509 459 M N 5.604 124.903 119.600 -0.502 0.000 2.347 459 M HA -0.156 4.324 4.480 0.000 0.000 0.198 459 M C -1.204 174.973 176.300 -0.204 0.000 0.549 459 M CA 0.943 55.952 55.300 -0.484 0.000 0.481 459 M CB -2.843 29.308 32.600 -0.749 0.000 1.393 459 M HN 0.404 nan 8.290 nan 0.000 0.905 460 V N -3.465 116.393 119.914 -0.092 0.000 3.126 460 V HA 1.086 5.206 4.120 0.000 0.000 0.314 460 V C 0.824 176.894 176.094 -0.041 0.000 1.138 460 V CA -0.172 62.111 62.300 -0.027 0.000 1.034 460 V CB 1.612 33.456 31.823 0.034 0.000 1.075 460 V HN 0.395 nan 8.190 nan 0.000 0.442 461 G N 0.270 109.063 108.800 -0.011 0.000 2.722 461 G HA2 0.432 4.392 3.960 0.000 0.000 0.201 461 G HA3 0.432 4.392 3.960 0.000 0.000 0.201 461 G C -2.336 172.566 174.900 0.003 0.000 1.926 461 G CA -0.283 44.797 45.100 -0.033 0.000 0.872 461 G HN 0.694 nan 8.290 nan 0.000 0.581 462 P HA 0.188 nan 4.420 nan 0.000 0.274 462 P C 0.817 178.256 177.300 0.231 0.000 1.231 462 P CA -0.647 62.541 63.100 0.147 0.000 0.790 462 P CB 1.325 33.071 31.700 0.076 0.000 0.951 463 I N 1.196 121.919 120.570 0.254 0.000 2.185 463 I HA -0.274 3.896 4.170 0.000 0.000 0.246 463 I C 0.744 176.771 176.117 -0.150 0.000 1.088 463 I CA 1.751 62.990 61.300 -0.101 0.000 1.347 463 I CB -0.748 37.107 38.000 -0.242 0.000 1.041 463 I HN 0.394 nan 8.210 nan 0.000 0.415 464 E N 0.000 120.175 120.200 -0.042 0.000 2.725 464 E HA 0.000 4.350 4.350 0.000 0.000 0.291 464 E CA 0.000 56.375 56.400 -0.042 0.000 0.976 464 E CB 0.000 29.701 29.700 0.001 0.000 0.812 464 E HN 0.000 nan 8.360 nan 0.000 0.440