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 2jcx_1_A DATA FIRST_RESID 11 DATA SEQUENCE GRLRVVVLGS TGSIGTQALQ VIADNPDRFE VVGLAAGGAH LDTLLRQRAQ DATA SEQUENCE TGVTNIAVAD EHAAQRVGDI PYHGSDAATR LVEQTEADVV LNALVGALGL DATA SEQUENCE RPTLAALKTG ARLALANKES LVAGGSLVLR AARPGQIVPV NSEHSALAQC DATA SEQUENCE LRGGTPDEVA KLVLTASGGP FRGWSAADLE HVTPEQAGAH PTWSMGPMNT DATA SEQUENCE LNSASLVNKG LQVIETHLLF GIPYDRIDVV VHPQSIIHSM VTFIDGSTIA DATA SEQUENCE QASPPDMKLP ISLALGWPRR VSGAAAACDF HTASSWEFEP LDTDVFPAVE DATA SEQUENCE LARQAGVAGG CMTAVYNAAN EEAAAAFLAG RIGFPAIVGI IADVLHAADQ DATA SEQUENCE WAVEPATVDD VLDAQRWARE RAQRAVSGM 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 11 G HA2 0.000 nan 3.960 nan 0.000 0.244 11 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 11 G C 0.000 174.876 174.900 -0.040 0.000 0.946 11 G CA 0.000 45.085 45.100 -0.024 0.000 0.502 12 R N 1.091 121.573 120.500 -0.030 0.000 2.389 12 R HA 0.577 4.916 4.340 -0.002 0.000 0.295 12 R C -0.389 175.921 176.300 0.018 0.000 1.075 12 R CA -0.259 55.822 56.100 -0.032 0.000 1.005 12 R CB 0.294 30.585 30.300 -0.014 0.000 0.987 12 R HN 0.251 nan 8.270 nan 0.000 0.452 13 L N 5.658 126.914 121.223 0.055 0.000 2.281 13 L HA 0.362 4.701 4.340 -0.002 0.000 0.285 13 L C 0.357 177.325 176.870 0.163 0.000 1.074 13 L CA -0.376 54.550 54.840 0.143 0.000 0.817 13 L CB 1.152 43.365 42.059 0.257 0.000 1.168 13 L HN 0.540 nan 8.230 nan 0.000 0.434 14 R N 2.839 123.401 120.500 0.103 0.000 2.267 14 R HA 0.395 4.734 4.340 -0.002 0.000 0.319 14 R C -0.923 175.419 176.300 0.070 0.000 1.067 14 R CA -0.369 55.779 56.100 0.080 0.000 0.936 14 R CB 1.013 31.344 30.300 0.051 0.000 1.006 14 R HN 0.332 nan 8.270 nan 0.000 0.452 15 V N 4.506 124.457 119.914 0.061 0.000 2.409 15 V HA 0.237 4.356 4.120 -0.002 0.000 0.291 15 V C 0.024 176.119 176.094 0.002 0.000 1.020 15 V CA -0.915 61.398 62.300 0.021 0.000 0.848 15 V CB 1.883 33.698 31.823 -0.013 0.000 0.990 15 V HN 0.442 nan 8.190 nan 0.000 0.430 16 V N 5.762 125.669 119.914 -0.012 0.000 2.432 16 V HA 0.322 4.441 4.120 -0.002 0.000 0.275 16 V C 0.036 176.109 176.094 -0.035 0.000 1.043 16 V CA -0.333 61.954 62.300 -0.021 0.000 0.925 16 V CB 1.694 33.498 31.823 -0.031 0.000 0.985 16 V HN 0.634 nan 8.190 nan 0.000 0.466 17 V N 7.184 127.080 119.914 -0.031 0.000 2.334 17 V HA 0.407 4.526 4.120 -0.002 0.000 0.281 17 V C -0.086 175.988 176.094 -0.033 0.000 1.016 17 V CA -0.423 61.854 62.300 -0.038 0.000 0.832 17 V CB 1.202 33.003 31.823 -0.037 0.000 0.999 17 V HN 0.614 nan 8.190 nan 0.000 0.439 18 L N 4.166 125.365 121.223 -0.040 0.000 2.289 18 L HA 0.708 5.047 4.340 -0.002 0.000 0.285 18 L C 1.122 177.973 176.870 -0.032 0.000 1.049 18 L CA -0.267 54.552 54.840 -0.036 0.000 0.804 18 L CB 1.223 43.256 42.059 -0.045 0.000 1.195 18 L HN 0.873 nan 8.230 nan 0.000 0.428 19 G N 1.681 110.469 108.800 -0.020 0.000 2.291 19 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.271 19 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.271 19 G C 0.805 175.692 174.900 -0.022 0.000 1.099 19 G CA 0.403 45.493 45.100 -0.017 0.000 0.919 19 G HN 0.831 nan 8.290 nan 0.000 0.496 20 S N -1.253 114.439 115.700 -0.014 0.000 2.453 20 S HA -0.069 4.400 4.470 -0.002 0.000 0.231 20 S C 2.249 176.836 174.600 -0.021 0.000 1.005 20 S CA 1.965 60.154 58.200 -0.018 0.000 0.949 20 S CB -0.289 62.906 63.200 -0.008 0.000 0.774 20 S HN 1.473 nan 8.310 nan 0.000 0.510 21 T N -1.713 112.830 114.554 -0.018 0.000 3.065 21 T HA 0.393 4.742 4.350 -0.002 0.000 0.252 21 T C 1.085 175.733 174.700 -0.086 0.000 1.099 21 T CA 0.197 62.276 62.100 -0.036 0.000 1.063 21 T CB -0.308 68.559 68.868 -0.001 0.000 0.948 21 T HN 0.435 nan 8.240 nan 0.000 0.506 22 G N 0.585 109.345 108.800 -0.067 0.000 2.535 22 G HA2 0.371 4.330 3.960 -0.002 0.000 0.282 22 G HA3 0.371 4.330 3.960 -0.002 0.000 0.282 22 G C 1.002 175.861 174.900 -0.069 0.000 1.350 22 G CA 0.008 45.060 45.100 -0.080 0.000 1.039 22 G HN 0.156 nan 8.290 nan 0.000 0.509 23 S N -1.179 114.484 115.700 -0.061 0.000 2.351 23 S HA -0.167 4.302 4.470 -0.002 0.000 0.220 23 S C 2.406 176.983 174.600 -0.039 0.000 1.035 23 S CA 1.385 59.559 58.200 -0.044 0.000 1.031 23 S CB -0.366 62.814 63.200 -0.035 0.000 0.928 23 S HN 0.365 nan 8.310 nan 0.000 0.433 24 I N 1.686 122.227 120.570 -0.048 0.000 2.179 24 I HA -0.079 4.090 4.170 -0.002 0.000 0.242 24 I C 2.794 178.882 176.117 -0.049 0.000 1.088 24 I CA 1.577 62.846 61.300 -0.052 0.000 1.357 24 I CB -2.242 35.718 38.000 -0.066 0.000 1.051 24 I HN 0.465 nan 8.210 nan 0.000 0.409 25 G N 0.563 109.335 108.800 -0.048 0.000 2.440 25 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.218 25 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.218 25 G C 1.668 176.545 174.900 -0.038 0.000 1.154 25 G CA 1.491 46.565 45.100 -0.044 0.000 0.767 25 G HN 0.363 nan 8.290 nan 0.000 0.552 26 T N 0.778 115.311 114.554 -0.036 0.000 2.821 26 T HA -0.095 4.254 4.350 -0.002 0.000 0.267 26 T C 2.447 177.135 174.700 -0.021 0.000 1.046 26 T CA 1.485 63.568 62.100 -0.027 0.000 1.139 26 T CB -0.173 68.676 68.868 -0.031 0.000 0.871 26 T HN 0.391 nan 8.240 nan 0.000 0.454 27 Q N 0.539 120.326 119.800 -0.021 0.000 2.172 27 Q HA 0.114 4.453 4.340 -0.002 0.000 0.200 27 Q C 2.744 178.729 176.000 -0.026 0.000 0.964 27 Q CA 1.082 56.877 55.803 -0.013 0.000 0.855 27 Q CB -0.268 28.468 28.738 -0.004 0.000 0.918 27 Q HN 0.545 nan 8.270 nan 0.000 0.444 28 A N 1.155 123.947 122.820 -0.045 0.000 1.902 28 A HA -0.148 4.171 4.320 -0.002 0.000 0.217 28 A C 2.057 179.602 177.584 -0.065 0.000 1.181 28 A CA 1.023 53.015 52.037 -0.075 0.000 0.623 28 A CB -0.647 18.299 19.000 -0.090 0.000 0.818 28 A HN 0.278 nan 8.150 nan 0.000 0.443 29 L N -1.019 120.181 121.223 -0.038 0.000 2.131 29 L HA -0.246 4.093 4.340 -0.002 0.000 0.210 29 L C 2.862 179.732 176.870 0.000 0.000 1.092 29 L CA 1.496 56.325 54.840 -0.018 0.000 0.759 29 L CB -0.581 41.473 42.059 -0.009 0.000 0.903 29 L HN 0.519 nan 8.230 nan 0.000 0.435 30 Q N -0.686 119.114 119.800 0.000 0.000 2.079 30 Q HA -0.168 4.171 4.340 -0.002 0.000 0.200 30 Q C 2.356 178.374 176.000 0.030 0.000 0.974 30 Q CA 1.386 57.198 55.803 0.015 0.000 0.840 30 Q CB -0.100 28.645 28.738 0.012 0.000 0.898 30 Q HN 0.314 nan 8.270 nan 0.000 0.430 31 V N 0.892 120.817 119.914 0.018 0.000 2.332 31 V HA -0.282 3.837 4.120 -0.002 0.000 0.248 31 V C 2.072 178.230 176.094 0.106 0.000 1.055 31 V CA 1.697 64.024 62.300 0.044 0.000 1.038 31 V CB -0.446 31.370 31.823 -0.012 0.000 0.651 31 V HN 0.349 nan 8.190 nan 0.000 0.450 32 I N 0.308 120.913 120.570 0.058 0.000 2.202 32 I HA -0.194 3.975 4.170 -0.002 0.000 0.242 32 I C 2.672 178.875 176.117 0.144 0.000 1.091 32 I CA 1.419 62.807 61.300 0.146 0.000 1.368 32 I CB -0.636 37.397 38.000 0.054 0.000 1.058 32 I HN 0.259 nan 8.210 nan 0.000 0.410 33 A N 0.532 123.401 122.820 0.082 0.000 1.908 33 A HA -0.252 4.067 4.320 -0.002 0.000 0.218 33 A C 1.886 179.511 177.584 0.067 0.000 1.181 33 A CA 2.179 54.255 52.037 0.065 0.000 0.627 33 A CB -0.636 18.389 19.000 0.042 0.000 0.818 33 A HN 0.364 nan 8.150 nan 0.000 0.445 34 D N 0.107 120.551 120.400 0.074 0.000 2.310 34 D HA -0.037 4.602 4.640 -0.002 0.000 0.212 34 D C 0.069 176.418 176.300 0.080 0.000 0.965 34 D CA 0.692 54.733 54.000 0.069 0.000 0.879 34 D CB -0.148 40.691 40.800 0.066 0.000 0.921 34 D HN 0.439 nan 8.370 nan 0.000 0.510 35 N N 0.603 119.376 118.700 0.121 0.000 2.679 35 N HA 0.095 4.833 4.740 -0.002 0.000 0.302 35 N C -2.091 173.458 175.510 0.064 0.000 1.941 35 N CA -0.817 52.291 53.050 0.097 0.000 0.875 35 N CB 1.948 40.531 38.487 0.160 0.000 1.278 35 N HN 0.086 nan 8.380 nan 0.000 0.490 36 P HA -0.116 nan 4.420 nan 0.000 0.226 36 P C 0.807 178.097 177.300 -0.016 0.000 1.153 36 P CA 1.041 64.162 63.100 0.035 0.000 0.777 36 P CB 0.304 32.023 31.700 0.030 0.000 0.794 37 D N 0.112 120.482 120.400 -0.051 0.000 2.144 37 D HA -0.169 4.470 4.640 -0.002 0.000 0.199 37 D C 1.775 177.970 176.300 -0.174 0.000 0.984 37 D CA 0.969 54.915 54.000 -0.090 0.000 0.834 37 D CB -0.300 40.449 40.800 -0.084 0.000 0.955 37 D HN 0.183 nan 8.370 nan 0.000 0.465 38 R N -0.502 119.804 120.500 -0.324 0.000 2.195 38 R HA 0.244 4.583 4.340 -0.002 0.000 0.197 38 R C 0.354 176.231 176.300 -0.706 0.000 0.990 38 R CA 0.225 55.921 56.100 -0.675 0.000 1.048 38 R CB 0.413 29.991 30.300 -1.203 0.000 0.997 38 R HN 0.231 nan 8.270 nan 0.000 0.502 39 F N 0.575 120.534 119.950 0.015 0.000 2.588 39 F HA 0.344 4.870 4.527 -0.002 0.000 0.314 39 F C -0.138 175.670 175.800 0.014 0.000 1.069 39 F CA -1.184 56.825 58.000 0.016 0.000 0.931 39 F CB 2.093 41.104 39.000 0.018 0.000 1.260 39 F HN -0.156 nan 8.300 nan 0.000 0.465 40 E N 0.960 121.292 120.200 0.220 0.000 2.278 40 E HA 0.526 4.875 4.350 -0.002 0.000 0.272 40 E C -1.939 174.718 176.600 0.095 0.000 0.890 40 E CA -0.874 55.602 56.400 0.126 0.000 0.770 40 E CB 2.175 31.923 29.700 0.080 0.000 1.212 40 E HN 0.405 nan 8.360 nan 0.000 0.415 41 V N 3.988 123.942 119.914 0.068 0.000 2.529 41 V HA 0.046 4.165 4.120 -0.002 0.000 0.292 41 V C 1.128 177.245 176.094 0.038 0.000 1.028 41 V CA 0.300 62.624 62.300 0.040 0.000 1.074 41 V CB 0.837 32.677 31.823 0.028 0.000 0.958 41 V HN 0.725 nan 8.190 nan 0.000 0.481 42 V N 1.176 121.109 119.914 0.032 0.000 3.432 42 V HA 0.727 4.846 4.120 -0.002 0.000 0.298 42 V C 0.607 176.720 176.094 0.032 0.000 1.464 42 V CA 0.564 62.884 62.300 0.033 0.000 1.046 42 V CB 0.259 32.102 31.823 0.033 0.000 0.887 42 V HN 0.974 nan 8.190 nan 0.000 0.441 43 G N 0.459 109.273 108.800 0.023 0.000 2.732 43 G HA2 0.662 4.621 3.960 -0.002 0.000 0.296 43 G HA3 0.662 4.621 3.960 -0.002 0.000 0.296 43 G C -1.818 173.091 174.900 0.014 0.000 1.448 43 G CA -0.702 44.412 45.100 0.024 0.000 0.911 43 G HN 0.210 nan 8.290 nan 0.000 0.528 44 L N 0.758 121.997 121.223 0.026 0.000 2.386 44 L HA 0.853 5.192 4.340 -0.002 0.000 0.271 44 L C 0.169 177.053 176.870 0.024 0.000 0.993 44 L CA -1.036 53.815 54.840 0.019 0.000 0.819 44 L CB 2.333 44.407 42.059 0.026 0.000 1.294 44 L HN 0.776 nan 8.230 nan 0.000 0.414 45 A N 2.170 124.996 122.820 0.009 0.000 2.386 45 A HA 0.991 5.310 4.320 -0.002 0.000 0.311 45 A C -0.887 176.707 177.584 0.017 0.000 1.068 45 A CA -0.276 51.769 52.037 0.014 0.000 0.743 45 A CB 1.900 20.894 19.000 -0.010 0.000 1.258 45 A HN 0.830 nan 8.150 nan 0.000 0.429 46 A N 0.511 123.349 122.820 0.031 0.000 2.569 46 A HA 0.746 5.065 4.320 -0.002 0.000 0.290 46 A C 0.848 178.458 177.584 0.042 0.000 1.136 46 A CA -0.002 52.057 52.037 0.036 0.000 0.710 46 A CB 0.626 19.654 19.000 0.046 0.000 1.303 46 A HN 1.754 nan 8.150 nan 0.000 0.413 47 G N -0.881 107.948 108.800 0.048 0.000 2.430 47 G HA2 0.390 4.349 3.960 -0.002 0.000 0.216 47 G HA3 0.390 4.349 3.960 -0.002 0.000 0.216 47 G C 1.232 176.155 174.900 0.038 0.000 1.146 47 G CA 1.265 46.391 45.100 0.043 0.000 0.793 47 G HN 2.446 nan 8.290 nan 0.000 0.537 48 G N -1.101 107.723 108.800 0.039 0.000 2.184 48 G HA2 0.048 4.007 3.960 -0.002 0.000 0.206 48 G HA3 0.048 4.007 3.960 -0.002 0.000 0.206 48 G C 1.210 176.094 174.900 -0.027 0.000 0.995 48 G CA 0.890 45.998 45.100 0.013 0.000 0.651 48 G HN 1.153 nan 8.290 nan 0.000 0.511 49 A N -0.372 122.426 122.820 -0.038 0.000 2.119 49 A HA 0.428 4.747 4.320 -0.002 0.000 0.216 49 A C 0.924 178.236 177.584 -0.453 0.000 1.152 49 A CA 1.593 53.510 52.037 -0.201 0.000 0.708 49 A CB -0.169 18.718 19.000 -0.189 0.000 0.805 49 A HN 0.744 nan 8.150 nan 0.000 0.460 50 H N -0.978 118.089 119.070 -0.006 0.000 2.380 50 H HA 0.413 4.968 4.556 -0.002 0.000 0.231 50 H C 0.631 175.954 175.328 -0.008 0.000 1.415 50 H CA -0.417 55.628 56.048 -0.006 0.000 1.433 50 H CB 0.466 30.226 29.762 -0.002 0.000 1.544 50 H HN 0.153 nan 8.280 nan 0.000 0.503 51 L N 0.454 121.699 121.223 0.037 0.000 2.141 51 L HA -0.144 4.195 4.340 -0.002 0.000 0.209 51 L C 1.860 178.748 176.870 0.030 0.000 1.094 51 L CA 1.126 55.979 54.840 0.021 0.000 0.763 51 L CB -0.127 41.922 42.059 -0.017 0.000 0.908 51 L HN 0.659 nan 8.230 nan 0.000 0.437 52 D N -0.538 119.884 120.400 0.036 0.000 2.103 52 D HA -0.224 4.415 4.640 -0.002 0.000 0.190 52 D C 1.758 178.081 176.300 0.039 0.000 0.997 52 D CA 2.146 56.166 54.000 0.034 0.000 0.833 52 D CB -0.729 40.096 40.800 0.041 0.000 0.961 52 D HN 0.258 nan 8.370 nan 0.000 0.447 53 T N 1.470 116.059 114.554 0.058 0.000 2.635 53 T HA -0.174 4.175 4.350 -0.002 0.000 0.267 53 T C 2.046 176.765 174.700 0.031 0.000 1.040 53 T CA 1.172 63.295 62.100 0.038 0.000 1.156 53 T CB -0.533 68.353 68.868 0.032 0.000 0.863 53 T HN 0.038 nan 8.240 nan 0.000 0.430 54 L N 0.817 122.065 121.223 0.042 0.000 2.042 54 L HA 0.018 4.357 4.340 -0.002 0.000 0.210 54 L C 2.210 179.095 176.870 0.025 0.000 1.076 54 L CA 1.541 56.400 54.840 0.033 0.000 0.749 54 L CB -0.683 41.399 42.059 0.039 0.000 0.893 54 L HN 0.269 nan 8.230 nan 0.000 0.432 55 L N -1.057 120.179 121.223 0.021 0.000 2.093 55 L HA -0.199 4.140 4.340 -0.002 0.000 0.208 55 L C 2.754 179.633 176.870 0.015 0.000 1.085 55 L CA 1.390 56.239 54.840 0.015 0.000 0.755 55 L CB -0.590 41.475 42.059 0.010 0.000 0.904 55 L HN 0.289 nan 8.230 nan 0.000 0.435 56 R N 0.226 120.736 120.500 0.016 0.000 2.073 56 R HA -0.200 4.139 4.340 -0.002 0.000 0.234 56 R C 2.357 178.665 176.300 0.014 0.000 1.134 56 R CA 1.658 57.766 56.100 0.014 0.000 0.952 56 R CB -0.099 30.209 30.300 0.013 0.000 0.850 56 R HN 0.430 nan 8.270 nan 0.000 0.433 57 Q N -0.373 119.436 119.800 0.014 0.000 2.124 57 Q HA -0.215 4.124 4.340 -0.002 0.000 0.202 57 Q C 2.216 178.226 176.000 0.017 0.000 0.977 57 Q CA 1.675 57.487 55.803 0.014 0.000 0.850 57 Q CB -0.193 28.553 28.738 0.013 0.000 0.901 57 Q HN 0.306 nan 8.270 nan 0.000 0.429 58 R N 0.654 121.165 120.500 0.019 0.000 2.080 58 R HA -0.189 4.150 4.340 -0.002 0.000 0.236 58 R C 2.204 178.515 176.300 0.017 0.000 1.137 58 R CA 1.515 57.627 56.100 0.020 0.000 0.943 58 R CB -0.335 29.977 30.300 0.020 0.000 0.846 58 R HN 0.249 nan 8.270 nan 0.000 0.431 59 A N 0.457 123.286 122.820 0.015 0.000 1.902 59 A HA -0.210 4.109 4.320 -0.002 0.000 0.217 59 A C 2.087 179.680 177.584 0.014 0.000 1.181 59 A CA 1.582 53.627 52.037 0.013 0.000 0.623 59 A CB -0.468 18.538 19.000 0.011 0.000 0.818 59 A HN 0.541 nan 8.150 nan 0.000 0.443 60 Q N -0.916 118.893 119.800 0.015 0.000 2.083 60 Q HA -0.105 4.234 4.340 -0.002 0.000 0.198 60 Q C 2.318 178.329 176.000 0.019 0.000 0.969 60 Q CA 1.924 57.736 55.803 0.016 0.000 0.838 60 Q CB -0.277 28.470 28.738 0.015 0.000 0.900 60 Q HN 0.878 nan 8.270 nan 0.000 0.436 61 T N -3.597 110.969 114.554 0.020 0.000 3.014 61 T HA 0.132 4.481 4.350 -0.002 0.000 0.263 61 T C 1.519 176.234 174.700 0.024 0.000 1.078 61 T CA 0.681 62.795 62.100 0.023 0.000 1.135 61 T CB 0.094 68.977 68.868 0.024 0.000 0.895 61 T HN 0.452 nan 8.240 nan 0.000 0.480 62 G N 0.760 109.573 108.800 0.021 0.000 2.148 62 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.254 62 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.254 62 G C 0.057 174.971 174.900 0.024 0.000 0.981 62 G CA 0.050 45.163 45.100 0.021 0.000 0.670 62 G HN 0.730 nan 8.290 nan 0.000 0.528 63 V N 1.554 121.484 119.914 0.027 0.000 2.406 63 V HA 0.519 4.638 4.120 -0.002 0.000 0.272 63 V C 1.548 177.663 176.094 0.034 0.000 1.043 63 V CA 0.769 63.088 62.300 0.032 0.000 0.915 63 V CB 1.279 33.123 31.823 0.034 0.000 0.988 63 V HN 0.656 nan 8.190 nan 0.000 0.466 64 T N 0.419 114.995 114.554 0.037 0.000 3.001 64 T HA 0.064 4.413 4.350 -0.002 0.000 0.251 64 T C 0.850 175.582 174.700 0.053 0.000 1.040 64 T CA -0.116 62.005 62.100 0.036 0.000 0.985 64 T CB -0.260 68.622 68.868 0.024 0.000 1.011 64 T HN 0.426 nan 8.240 nan 0.000 0.509 65 N N 1.911 120.654 118.700 0.072 0.000 2.498 65 N HA 0.264 5.003 4.740 -0.002 0.000 0.277 65 N C -1.059 174.538 175.510 0.144 0.000 1.208 65 N CA -0.205 52.920 53.050 0.125 0.000 1.029 65 N CB -0.706 37.853 38.487 0.120 0.000 1.403 65 N HN 0.528 nan 8.380 nan 0.000 0.500 66 I N 1.059 121.732 120.570 0.171 0.000 2.647 66 I HA 0.536 4.705 4.170 -0.002 0.000 0.295 66 I C -0.429 175.822 176.117 0.223 0.000 1.078 66 I CA -1.273 60.116 61.300 0.149 0.000 1.048 66 I CB 2.112 40.166 38.000 0.091 0.000 1.239 66 I HN 0.324 nan 8.210 nan 0.000 0.421 67 A N 5.561 128.479 122.820 0.163 0.000 2.318 67 A HA 0.822 5.141 4.320 -0.002 0.000 0.324 67 A C -0.993 176.658 177.584 0.111 0.000 1.170 67 A CA -0.511 51.624 52.037 0.164 0.000 0.810 67 A CB 1.394 20.442 19.000 0.080 0.000 1.198 67 A HN 0.423 nan 8.150 nan 0.000 0.484 68 V N 2.633 122.624 119.914 0.128 0.000 2.443 68 V HA 0.453 4.572 4.120 -0.002 0.000 0.293 68 V C 1.134 177.288 176.094 0.100 0.000 1.021 68 V CA 0.180 62.537 62.300 0.096 0.000 0.848 68 V CB 1.132 33.004 31.823 0.082 0.000 0.998 68 V HN 1.194 nan 8.190 nan 0.000 0.424 69 A N 3.100 125.962 122.820 0.069 0.000 1.877 69 A HA -0.091 4.228 4.320 -0.002 0.000 0.216 69 A C 1.170 178.796 177.584 0.070 0.000 1.186 69 A CA 1.260 53.334 52.037 0.062 0.000 0.620 69 A CB -0.166 18.858 19.000 0.039 0.000 0.822 69 A HN 0.795 nan 8.150 nan 0.000 0.443 70 D N -0.224 120.212 120.400 0.060 0.000 2.317 70 D HA 0.079 4.718 4.640 -0.002 0.000 0.252 70 D C 0.385 176.731 176.300 0.076 0.000 1.174 70 D CA -0.137 53.900 54.000 0.061 0.000 0.866 70 D CB 0.705 41.531 40.800 0.043 0.000 1.127 70 D HN 0.277 nan 8.370 nan 0.000 0.467 71 E N 2.570 122.825 120.200 0.092 0.000 2.072 71 E HA -0.214 4.135 4.350 -0.002 0.000 0.191 71 E C 1.507 178.159 176.600 0.088 0.000 0.985 71 E CA 0.920 57.374 56.400 0.091 0.000 0.801 71 E CB -0.185 29.571 29.700 0.093 0.000 0.750 71 E HN 0.627 nan 8.360 nan 0.000 0.452 72 H N 0.898 119.961 119.070 -0.013 0.000 2.387 72 H HA 0.010 4.565 4.556 -0.002 0.000 0.299 72 H C 1.802 177.114 175.328 -0.028 0.000 1.090 72 H CA 1.716 57.750 56.048 -0.024 0.000 1.332 72 H CB -0.135 29.616 29.762 -0.017 0.000 1.386 72 H HN 0.133 nan 8.280 nan 0.000 0.516 73 A N 0.473 123.258 122.820 -0.057 0.000 1.897 73 A HA 0.058 4.377 4.320 -0.002 0.000 0.215 73 A C 2.643 180.182 177.584 -0.076 0.000 1.181 73 A CA 1.504 53.471 52.037 -0.115 0.000 0.620 73 A CB -1.127 17.838 19.000 -0.059 0.000 0.821 73 A HN 0.541 nan 8.150 nan 0.000 0.443 74 A N -0.863 121.938 122.820 -0.032 0.000 1.902 74 A HA -0.187 4.132 4.320 -0.002 0.000 0.217 74 A C 2.149 179.679 177.584 -0.091 0.000 1.181 74 A CA 2.121 54.135 52.037 -0.038 0.000 0.623 74 A CB -0.501 18.494 19.000 -0.007 0.000 0.818 74 A HN 0.517 nan 8.150 nan 0.000 0.443 75 Q N -0.060 119.683 119.800 -0.096 0.000 2.050 75 Q HA -0.161 4.178 4.340 -0.002 0.000 0.202 75 Q C 2.157 178.114 176.000 -0.072 0.000 0.980 75 Q CA 2.171 57.923 55.803 -0.085 0.000 0.840 75 Q CB -0.369 28.362 28.738 -0.012 0.000 0.898 75 Q HN 0.594 nan 8.270 nan 0.000 0.424 76 R N -1.141 119.298 120.500 -0.102 0.000 2.139 76 R HA -0.116 4.223 4.340 -0.002 0.000 0.243 76 R C 2.036 178.291 176.300 -0.076 0.000 1.145 76 R CA 1.471 57.502 56.100 -0.116 0.000 0.976 76 R CB -0.188 29.991 30.300 -0.201 0.000 0.866 76 R HN 0.216 nan 8.270 nan 0.000 0.449 77 V N -0.692 119.183 119.914 -0.065 0.000 2.407 77 V HA 0.144 4.263 4.120 -0.002 0.000 0.245 77 V C 0.954 177.026 176.094 -0.036 0.000 1.041 77 V CA 1.114 63.389 62.300 -0.042 0.000 1.040 77 V CB -0.518 31.288 31.823 -0.027 0.000 0.671 77 V HN 0.685 nan 8.190 nan 0.000 0.455 78 G N 0.502 109.274 108.800 -0.047 0.000 2.767 78 G HA2 -0.066 3.893 3.960 -0.002 0.000 0.686 78 G HA3 -0.066 3.893 3.960 -0.002 0.000 0.686 78 G C -0.277 174.602 174.900 -0.035 0.000 1.213 78 G CA -0.236 44.837 45.100 -0.045 0.000 0.803 78 G HN 0.430 nan 8.290 nan 0.000 0.603 79 D N -1.396 118.981 120.400 -0.038 0.000 2.983 79 D HA -0.172 4.467 4.640 -0.002 0.000 0.225 79 D C 1.040 177.334 176.300 -0.009 0.000 1.174 79 D CA 1.368 55.354 54.000 -0.023 0.000 0.831 79 D CB -0.655 40.135 40.800 -0.018 0.000 1.104 79 D HN 0.729 nan 8.370 nan 0.000 0.421 80 I N 1.133 121.704 120.570 0.003 0.000 2.517 80 I HA 0.016 4.185 4.170 -0.002 0.000 0.285 80 I C -0.553 175.600 176.117 0.061 0.000 1.106 80 I CA -1.485 59.841 61.300 0.043 0.000 1.402 80 I CB 0.421 38.461 38.000 0.068 0.000 1.399 80 I HN -0.115 nan 8.210 nan 0.000 0.535 81 P HA -0.097 nan 4.420 nan 0.000 0.221 81 P C -0.478 176.495 177.300 -0.547 0.000 1.150 81 P CA 1.278 64.200 63.100 -0.296 0.000 0.800 81 P CB 0.200 31.653 31.700 -0.411 0.000 0.787 82 Y N 0.637 120.971 120.300 0.056 0.000 2.361 82 Y HA 0.427 4.976 4.550 -0.002 0.000 0.337 82 Y C 0.839 176.755 175.900 0.027 0.000 0.965 82 Y CA -0.963 57.114 58.100 -0.039 0.000 1.091 82 Y CB 1.421 39.861 38.460 -0.034 0.000 1.182 82 Y HN 0.038 nan 8.280 nan 0.000 0.450 83 H N 0.726 119.876 119.070 0.133 0.000 3.012 83 H HA 0.812 5.367 4.556 -0.002 0.000 0.367 83 H C -0.037 175.331 175.328 0.068 0.000 1.211 83 H CA -1.120 54.977 56.048 0.081 0.000 1.139 83 H CB 1.862 31.651 29.762 0.045 0.000 1.838 83 H HN 0.939 nan 8.280 nan 0.000 0.550 84 G N 0.495 109.394 108.800 0.166 0.000 2.566 84 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.599 84 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.599 84 G C 0.659 175.592 174.900 0.055 0.000 1.292 84 G CA 0.186 45.344 45.100 0.096 0.000 0.922 84 G HN 1.173 nan 8.290 nan 0.000 0.514 85 S N -0.888 114.834 115.700 0.036 0.000 2.481 85 S HA 0.005 4.473 4.470 -0.002 0.000 0.231 85 S C 1.407 176.011 174.600 0.006 0.000 0.996 85 S CA 1.887 60.099 58.200 0.020 0.000 0.942 85 S CB -0.018 63.191 63.200 0.015 0.000 0.768 85 S HN 1.270 nan 8.310 nan 0.000 0.520 86 D N 0.822 121.224 120.400 0.003 0.000 2.363 86 D HA 0.410 5.049 4.640 -0.002 0.000 0.214 86 D C 1.491 177.778 176.300 -0.022 0.000 1.093 86 D CA 0.409 54.402 54.000 -0.013 0.000 0.837 86 D CB -0.036 40.756 40.800 -0.013 0.000 0.948 86 D HN 0.383 nan 8.370 nan 0.000 0.507 87 A N 1.256 124.076 122.820 0.000 0.000 1.858 87 A HA 0.059 4.378 4.320 -0.002 0.000 0.216 87 A C 2.428 179.970 177.584 -0.071 0.000 1.190 87 A CA 2.123 54.169 52.037 0.017 0.000 0.617 87 A CB -1.000 18.051 19.000 0.084 0.000 0.827 87 A HN 0.349 nan 8.150 nan 0.000 0.443 88 A N -0.875 121.913 122.820 -0.054 0.000 1.908 88 A HA -0.129 4.190 4.320 -0.002 0.000 0.218 88 A C 2.320 179.826 177.584 -0.130 0.000 1.181 88 A CA 2.492 54.478 52.037 -0.085 0.000 0.627 88 A CB -1.429 17.541 19.000 -0.049 0.000 0.818 88 A HN 0.470 nan 8.150 nan 0.000 0.445 89 T N -0.180 114.312 114.554 -0.104 0.000 2.652 89 T HA -0.173 4.176 4.350 -0.002 0.000 0.267 89 T C 2.048 176.655 174.700 -0.154 0.000 1.039 89 T CA 1.666 63.703 62.100 -0.105 0.000 1.153 89 T CB -0.271 68.556 68.868 -0.068 0.000 0.863 89 T HN 0.543 nan 8.240 nan 0.000 0.428 90 R N 0.336 120.723 120.500 -0.187 0.000 2.092 90 R HA 0.060 4.399 4.340 -0.002 0.000 0.231 90 R C 2.475 178.433 176.300 -0.569 0.000 1.119 90 R CA 0.808 56.757 56.100 -0.252 0.000 0.970 90 R CB -0.643 29.587 30.300 -0.116 0.000 0.864 90 R HN 0.248 nan 8.270 nan 0.000 0.440 91 L N 0.823 121.544 121.223 -0.836 0.000 2.013 91 L HA -0.212 4.127 4.340 -0.002 0.000 0.212 91 L C 2.100 178.740 176.870 -0.384 0.000 1.073 91 L CA 1.625 55.941 54.840 -0.872 0.000 0.753 91 L CB -0.254 41.490 42.059 -0.525 0.000 0.890 91 L HN -0.074 nan 8.230 nan 0.000 0.432 92 V N -0.368 119.396 119.914 -0.251 0.000 2.358 92 V HA -0.274 3.845 4.120 -0.002 0.000 0.246 92 V C 2.447 178.471 176.094 -0.116 0.000 1.047 92 V CA 2.069 64.282 62.300 -0.145 0.000 1.035 92 V CB -0.634 31.123 31.823 -0.109 0.000 0.658 92 V HN 0.509 nan 8.190 nan 0.000 0.452 93 E N -0.206 119.920 120.200 -0.124 0.000 2.160 93 E HA -0.250 4.099 4.350 -0.002 0.000 0.195 93 E C 1.973 178.538 176.600 -0.059 0.000 0.991 93 E CA 1.263 57.616 56.400 -0.079 0.000 0.810 93 E CB -0.077 29.581 29.700 -0.069 0.000 0.742 93 E HN 0.669 nan 8.360 nan 0.000 0.466 94 Q N -0.309 119.442 119.800 -0.082 0.000 2.219 94 Q HA 0.111 4.450 4.340 -0.002 0.000 0.209 94 Q C -0.479 175.525 176.000 0.007 0.000 0.854 94 Q CA 0.132 55.927 55.803 -0.012 0.000 0.960 94 Q CB 1.399 30.174 28.738 0.061 0.000 1.116 94 Q HN -0.022 nan 8.270 nan 0.000 0.500 95 T N 1.200 115.736 114.554 -0.029 0.000 2.770 95 T HA 0.216 4.565 4.350 -0.002 0.000 0.283 95 T C -0.457 174.240 174.700 -0.004 0.000 0.988 95 T CA -0.542 61.556 62.100 -0.004 0.000 0.957 95 T CB 1.561 70.418 68.868 -0.018 0.000 0.930 95 T HN 0.046 nan 8.240 nan 0.000 0.443 96 E N 1.977 122.183 120.200 0.010 0.000 2.299 96 E HA 0.472 4.821 4.350 -0.002 0.000 0.272 96 E C -0.281 176.326 176.600 0.012 0.000 1.043 96 E CA -0.232 56.174 56.400 0.010 0.000 0.895 96 E CB 0.644 30.353 29.700 0.015 0.000 1.011 96 E HN 0.743 nan 8.360 nan 0.000 0.432 97 A N 3.462 126.287 122.820 0.009 0.000 2.609 97 A HA 0.309 4.628 4.320 -0.002 0.000 0.291 97 A C -0.334 177.261 177.584 0.019 0.000 1.096 97 A CA -0.716 51.330 52.037 0.015 0.000 0.684 97 A CB 1.413 20.417 19.000 0.006 0.000 1.282 97 A HN 0.568 nan 8.150 nan 0.000 0.412 98 D N -0.680 119.739 120.400 0.033 0.000 2.379 98 D HA 0.223 4.862 4.640 -0.002 0.000 0.218 98 D C -0.086 176.237 176.300 0.039 0.000 1.006 98 D CA 1.249 55.274 54.000 0.041 0.000 0.893 98 D CB 0.885 41.722 40.800 0.062 0.000 1.019 98 D HN 0.220 nan 8.370 nan 0.000 0.503 99 V N 1.602 121.536 119.914 0.033 0.000 2.623 99 V HA 0.262 4.381 4.120 -0.002 0.000 0.304 99 V C -0.315 175.773 176.094 -0.011 0.000 1.054 99 V CA -0.851 61.458 62.300 0.015 0.000 0.882 99 V CB 2.852 34.692 31.823 0.028 0.000 1.002 99 V HN -0.264 nan 8.190 nan 0.000 0.424 100 V N 5.638 125.535 119.914 -0.028 0.000 2.328 100 V HA 0.378 4.497 4.120 -0.002 0.000 0.278 100 V C -0.197 175.863 176.094 -0.056 0.000 1.021 100 V CA -0.459 61.815 62.300 -0.043 0.000 0.838 100 V CB 1.454 33.248 31.823 -0.048 0.000 0.999 100 V HN 0.688 nan 8.190 nan 0.000 0.447 101 L N 5.603 126.789 121.223 -0.062 0.000 2.295 101 L HA 0.452 4.791 4.340 -0.002 0.000 0.288 101 L C 0.255 177.085 176.870 -0.067 0.000 1.079 101 L CA 0.369 55.165 54.840 -0.073 0.000 0.830 101 L CB 0.441 42.450 42.059 -0.085 0.000 1.200 101 L HN 0.595 nan 8.230 nan 0.000 0.438 102 N N 4.433 123.091 118.700 -0.070 0.000 2.521 102 N HA 0.350 5.089 4.740 -0.002 0.000 0.236 102 N C -0.088 175.382 175.510 -0.066 0.000 1.067 102 N CA 0.252 53.263 53.050 -0.066 0.000 0.939 102 N CB 1.271 39.717 38.487 -0.068 0.000 1.201 102 N HN 0.687 nan 8.380 nan 0.000 0.511 103 A N 4.766 127.551 122.820 -0.059 0.000 2.713 103 A HA 0.298 4.617 4.320 -0.002 0.000 0.296 103 A C 0.505 178.061 177.584 -0.046 0.000 1.255 103 A CA -0.421 51.582 52.037 -0.057 0.000 0.955 103 A CB -0.223 18.742 19.000 -0.058 0.000 1.149 103 A HN 0.587 nan 8.150 nan 0.000 0.538 104 L N -0.551 120.647 121.223 -0.042 0.000 2.464 104 L HA 0.326 4.665 4.340 -0.002 0.000 0.264 104 L C 0.359 177.210 176.870 -0.032 0.000 1.199 104 L CA -0.277 54.544 54.840 -0.031 0.000 0.818 104 L CB 1.047 43.088 42.059 -0.030 0.000 1.102 104 L HN 0.098 nan 8.230 nan 0.000 0.473 105 V N 1.174 121.075 119.914 -0.022 0.000 2.547 105 V HA 0.866 4.985 4.120 -0.002 0.000 0.299 105 V C 0.257 176.341 176.094 -0.018 0.000 1.040 105 V CA 0.542 62.830 62.300 -0.020 0.000 0.913 105 V CB 1.051 32.866 31.823 -0.013 0.000 0.992 105 V HN 0.988 nan 8.190 nan 0.000 0.449 106 G N 4.456 113.244 108.800 -0.019 0.000 2.756 106 G HA2 0.169 4.128 3.960 -0.002 0.000 0.678 106 G HA3 0.169 4.128 3.960 -0.002 0.000 0.678 106 G C 0.628 175.514 174.900 -0.023 0.000 1.349 106 G CA -0.211 44.878 45.100 -0.018 0.000 0.847 106 G HN 2.010 nan 8.290 nan 0.000 0.548 107 A N -0.261 122.545 122.820 -0.023 0.000 2.172 107 A HA 0.216 4.535 4.320 -0.002 0.000 0.216 107 A C 2.552 180.120 177.584 -0.028 0.000 1.154 107 A CA 2.413 54.434 52.037 -0.026 0.000 0.701 107 A CB -0.523 18.459 19.000 -0.029 0.000 0.789 107 A HN 2.104 nan 8.150 nan 0.000 0.465 108 L N -2.159 119.050 121.223 -0.024 0.000 2.349 108 L HA 0.057 4.396 4.340 -0.002 0.000 0.220 108 L C 1.768 178.622 176.870 -0.026 0.000 1.130 108 L CA 1.831 56.657 54.840 -0.023 0.000 0.791 108 L CB -1.280 40.770 42.059 -0.016 0.000 0.918 108 L HN 0.094 nan 8.230 nan 0.000 0.444 109 G N -0.434 108.348 108.800 -0.031 0.000 2.848 109 G HA2 -0.047 3.912 3.960 -0.002 0.000 0.208 109 G HA3 -0.047 3.912 3.960 -0.002 0.000 0.208 109 G C 1.328 176.203 174.900 -0.042 0.000 1.152 109 G CA 0.470 45.547 45.100 -0.037 0.000 0.789 109 G HN 0.405 nan 8.290 nan 0.000 0.531 110 L N 0.573 121.774 121.223 -0.038 0.000 1.994 110 L HA 0.077 4.416 4.340 -0.002 0.000 0.208 110 L C 2.822 179.668 176.870 -0.039 0.000 1.071 110 L CA 1.702 56.519 54.840 -0.039 0.000 0.745 110 L CB -0.413 41.626 42.059 -0.034 0.000 0.892 110 L HN 0.108 nan 8.230 nan 0.000 0.431 111 R N -0.377 120.102 120.500 -0.036 0.000 2.073 111 R HA -0.119 4.220 4.340 -0.002 0.000 0.234 111 R C -0.128 176.145 176.300 -0.045 0.000 1.134 111 R CA 1.818 57.896 56.100 -0.037 0.000 0.952 111 R CB -1.761 28.519 30.300 -0.033 0.000 0.850 111 R HN 0.410 nan 8.270 nan 0.000 0.433 112 P HA -0.105 nan 4.420 nan 0.000 0.216 112 P C 1.129 178.394 177.300 -0.058 0.000 1.150 112 P CA 1.422 64.488 63.100 -0.058 0.000 0.837 112 P CB -0.043 31.623 31.700 -0.057 0.000 0.786 113 T N -0.415 114.105 114.554 -0.056 0.000 2.684 113 T HA -0.118 4.231 4.350 -0.002 0.000 0.267 113 T C 1.698 176.364 174.700 -0.057 0.000 1.036 113 T CA 1.200 63.264 62.100 -0.060 0.000 1.148 113 T CB -0.883 67.947 68.868 -0.063 0.000 0.863 113 T HN 0.041 nan 8.240 nan 0.000 0.436 114 L N 0.533 121.726 121.223 -0.050 0.000 2.056 114 L HA -0.022 4.317 4.340 -0.002 0.000 0.207 114 L C 3.015 179.859 176.870 -0.043 0.000 1.078 114 L CA 1.112 55.926 54.840 -0.044 0.000 0.749 114 L CB -0.638 41.398 42.059 -0.037 0.000 0.901 114 L HN 0.215 nan 8.230 nan 0.000 0.433 115 A N 0.203 122.995 122.820 -0.046 0.000 1.908 115 A HA -0.239 4.080 4.320 -0.002 0.000 0.218 115 A C 2.540 180.094 177.584 -0.049 0.000 1.181 115 A CA 1.961 53.969 52.037 -0.048 0.000 0.627 115 A CB -0.792 18.173 19.000 -0.058 0.000 0.818 115 A HN 0.413 nan 8.150 nan 0.000 0.445 116 A N -0.206 122.582 122.820 -0.053 0.000 1.865 116 A HA -0.084 4.235 4.320 -0.002 0.000 0.217 116 A C 2.188 179.745 177.584 -0.045 0.000 1.191 116 A CA 1.593 53.600 52.037 -0.051 0.000 0.623 116 A CB -0.705 18.261 19.000 -0.056 0.000 0.826 116 A HN 0.488 nan 8.150 nan 0.000 0.444 117 L N -0.759 120.435 121.223 -0.048 0.000 2.042 117 L HA -0.213 4.126 4.340 -0.002 0.000 0.210 117 L C 2.490 179.339 176.870 -0.036 0.000 1.076 117 L CA 1.751 56.564 54.840 -0.045 0.000 0.749 117 L CB -0.474 41.555 42.059 -0.051 0.000 0.893 117 L HN 0.362 nan 8.230 nan 0.000 0.432 118 K N -0.402 119.977 120.400 -0.034 0.000 2.280 118 K HA -0.132 4.187 4.320 -0.002 0.000 0.202 118 K C 2.016 178.602 176.600 -0.024 0.000 1.047 118 K CA 1.702 57.973 56.287 -0.027 0.000 0.942 118 K CB -0.217 32.267 32.500 -0.027 0.000 0.739 118 K HN 0.501 nan 8.250 nan 0.000 0.457 119 T N -3.201 111.337 114.554 -0.026 0.000 3.055 119 T HA 0.083 4.431 4.350 -0.002 0.000 0.265 119 T C 1.573 176.264 174.700 -0.015 0.000 1.111 119 T CA 0.809 62.896 62.100 -0.021 0.000 1.118 119 T CB 0.161 69.015 68.868 -0.024 0.000 0.909 119 T HN 0.344 nan 8.240 nan 0.000 0.501 120 G N 1.327 110.116 108.800 -0.017 0.000 2.199 120 G HA2 -0.090 3.869 3.960 -0.002 0.000 0.254 120 G HA3 -0.090 3.869 3.960 -0.002 0.000 0.254 120 G C 0.416 175.311 174.900 -0.009 0.000 0.982 120 G CA 0.003 45.095 45.100 -0.012 0.000 0.632 120 G HN 1.226 nan 8.290 nan 0.000 0.529 121 A N 0.187 123.001 122.820 -0.011 0.000 2.466 121 A HA 0.590 4.909 4.320 -0.002 0.000 0.238 121 A C 0.912 178.489 177.584 -0.012 0.000 1.074 121 A CA 0.944 52.977 52.037 -0.006 0.000 0.774 121 A CB 0.095 19.089 19.000 -0.010 0.000 1.015 121 A HN 1.273 nan 8.150 nan 0.000 0.498 122 R N 0.443 120.943 120.500 0.000 0.000 2.570 122 R HA 0.234 4.573 4.340 -0.002 0.000 0.277 122 R C -0.773 175.507 176.300 -0.033 0.000 1.039 122 R CA -0.129 55.965 56.100 -0.010 0.000 1.065 122 R CB 0.069 30.383 30.300 0.022 0.000 0.964 122 R HN 0.556 nan 8.270 nan 0.000 0.428 123 L N 4.934 126.120 121.223 -0.060 0.000 2.283 123 L HA 0.433 4.772 4.340 -0.002 0.000 0.281 123 L C -0.798 176.015 176.870 -0.094 0.000 1.033 123 L CA -0.113 54.681 54.840 -0.075 0.000 0.848 123 L CB 1.132 43.140 42.059 -0.086 0.000 1.226 123 L HN 0.787 nan 8.230 nan 0.000 0.429 124 A N 5.486 128.257 122.820 -0.082 0.000 2.376 124 A HA 0.470 4.789 4.320 -0.002 0.000 0.298 124 A C -0.652 176.871 177.584 -0.100 0.000 1.271 124 A CA -0.335 51.647 52.037 -0.091 0.000 0.926 124 A CB -0.211 18.743 19.000 -0.077 0.000 1.141 124 A HN 0.668 nan 8.150 nan 0.000 0.539 125 L N 3.553 124.703 121.223 -0.122 0.000 2.264 125 L HA 0.605 4.944 4.340 -0.002 0.000 0.287 125 L C 0.900 177.700 176.870 -0.117 0.000 1.039 125 L CA 0.364 55.131 54.840 -0.123 0.000 0.829 125 L CB 1.039 43.008 42.059 -0.150 0.000 1.211 125 L HN 0.669 nan 8.230 nan 0.000 0.427 126 A N 3.867 126.628 122.820 -0.098 0.000 1.956 126 A HA 0.047 4.366 4.320 -0.002 0.000 0.212 126 A C 1.173 178.705 177.584 -0.086 0.000 1.188 126 A CA 0.183 52.164 52.037 -0.093 0.000 0.675 126 A CB -0.293 18.655 19.000 -0.087 0.000 0.845 126 A HN 0.760 nan 8.150 nan 0.000 0.455 127 N N 1.311 119.963 118.700 -0.080 0.000 2.543 127 N HA -0.030 4.709 4.740 -0.002 0.000 0.289 127 N C 0.815 176.281 175.510 -0.074 0.000 1.223 127 N CA 0.408 53.417 53.050 -0.068 0.000 1.080 127 N CB 0.295 38.746 38.487 -0.060 0.000 1.450 127 N HN 0.595 nan 8.380 nan 0.000 0.501 128 K N 1.698 122.056 120.400 -0.070 0.000 2.152 128 K HA -0.185 4.134 4.320 -0.002 0.000 0.206 128 K C 1.005 177.576 176.600 -0.049 0.000 1.048 128 K CA 1.348 57.592 56.287 -0.072 0.000 0.933 128 K CB 0.022 32.495 32.500 -0.045 0.000 0.721 128 K HN 0.297 nan 8.250 nan 0.000 0.447 129 E N 1.503 121.685 120.200 -0.032 0.000 2.160 129 E HA -0.178 4.171 4.350 -0.002 0.000 0.195 129 E C 2.167 178.751 176.600 -0.027 0.000 0.991 129 E CA 1.736 58.126 56.400 -0.017 0.000 0.810 129 E CB -0.125 29.566 29.700 -0.014 0.000 0.742 129 E HN 0.597 nan 8.360 nan 0.000 0.466 130 S N 0.319 115.994 115.700 -0.043 0.000 2.383 130 S HA -0.087 4.382 4.470 -0.002 0.000 0.227 130 S C 1.984 176.553 174.600 -0.051 0.000 1.026 130 S CA 0.560 58.733 58.200 -0.046 0.000 0.981 130 S CB -0.300 62.868 63.200 -0.054 0.000 0.818 130 S HN 0.228 nan 8.310 nan 0.000 0.472 131 L N 1.058 122.241 121.223 -0.067 0.000 2.072 131 L HA 0.012 4.351 4.340 -0.002 0.000 0.205 131 L C 2.545 179.388 176.870 -0.044 0.000 1.079 131 L CA 1.013 55.808 54.840 -0.075 0.000 0.752 131 L CB -0.383 41.603 42.059 -0.122 0.000 0.906 131 L HN 0.256 nan 8.230 nan 0.000 0.436 132 V N 0.142 120.040 119.914 -0.027 0.000 2.343 132 V HA -0.292 3.827 4.120 -0.002 0.000 0.247 132 V C 2.692 178.796 176.094 0.016 0.000 1.051 132 V CA 1.864 64.169 62.300 0.008 0.000 1.036 132 V CB -0.840 31.003 31.823 0.034 0.000 0.654 132 V HN 0.545 nan 8.190 nan 0.000 0.451 133 A N 0.145 122.967 122.820 0.003 0.000 1.898 133 A HA 0.068 4.387 4.320 -0.002 0.000 0.214 133 A C 2.390 179.970 177.584 -0.008 0.000 1.183 133 A CA 1.532 53.568 52.037 -0.002 0.000 0.622 133 A CB -1.071 17.920 19.000 -0.015 0.000 0.824 133 A HN 0.501 nan 8.150 nan 0.000 0.444 134 G N -1.063 107.727 108.800 -0.017 0.000 2.408 134 G HA2 0.289 4.248 3.960 -0.002 0.000 0.217 134 G HA3 0.289 4.248 3.960 -0.002 0.000 0.217 134 G C 1.385 176.279 174.900 -0.010 0.000 1.150 134 G CA 1.045 46.134 45.100 -0.019 0.000 0.776 134 G HN 1.544 nan 8.290 nan 0.000 0.542 135 G N 0.065 108.860 108.800 -0.008 0.000 2.611 135 G HA2 -0.326 3.633 3.960 -0.002 0.000 0.301 135 G HA3 -0.326 3.633 3.960 -0.002 0.000 0.301 135 G C 1.714 176.611 174.900 -0.005 0.000 1.233 135 G CA 2.114 47.218 45.100 0.007 0.000 0.993 135 G HN 1.441 nan 8.290 nan 0.000 0.553 136 S N 0.130 115.836 115.700 0.009 0.000 2.419 136 S HA 0.018 4.487 4.470 -0.002 0.000 0.233 136 S C 2.365 176.958 174.600 -0.010 0.000 1.016 136 S CA 1.698 59.897 58.200 -0.002 0.000 0.974 136 S CB -0.126 63.082 63.200 0.013 0.000 0.786 136 S HN 0.879 nan 8.310 nan 0.000 0.492 137 L N 1.363 122.582 121.223 -0.006 0.000 2.012 137 L HA -0.063 4.276 4.340 -0.002 0.000 0.210 137 L C 2.479 179.334 176.870 -0.025 0.000 1.073 137 L CA 1.738 56.572 54.840 -0.011 0.000 0.748 137 L CB -0.769 41.286 42.059 -0.006 0.000 0.891 137 L HN 0.313 nan 8.230 nan 0.000 0.431 138 V N 0.143 120.037 119.914 -0.033 0.000 2.358 138 V HA -0.285 3.834 4.120 -0.002 0.000 0.246 138 V C 2.616 178.675 176.094 -0.058 0.000 1.047 138 V CA 1.278 63.549 62.300 -0.049 0.000 1.035 138 V CB -0.248 31.540 31.823 -0.059 0.000 0.658 138 V HN 0.378 nan 8.190 nan 0.000 0.452 139 L N -0.551 120.637 121.223 -0.059 0.000 2.012 139 L HA -0.195 4.144 4.340 -0.002 0.000 0.210 139 L C 2.755 179.592 176.870 -0.055 0.000 1.073 139 L CA 1.706 56.505 54.840 -0.069 0.000 0.748 139 L CB -0.649 41.367 42.059 -0.070 0.000 0.891 139 L HN 0.223 nan 8.230 nan 0.000 0.431 140 R N -0.179 120.297 120.500 -0.039 0.000 2.159 140 R HA -0.132 4.207 4.340 -0.002 0.000 0.237 140 R C 2.105 178.386 176.300 -0.032 0.000 1.131 140 R CA 1.199 57.280 56.100 -0.031 0.000 0.982 140 R CB -0.276 30.012 30.300 -0.021 0.000 0.868 140 R HN 0.360 nan 8.270 nan 0.000 0.453 141 A N 0.387 123.185 122.820 -0.037 0.000 2.178 141 A HA 0.289 4.608 4.320 -0.002 0.000 0.211 141 A C 0.784 178.342 177.584 -0.043 0.000 1.157 141 A CA 0.368 52.383 52.037 -0.036 0.000 0.780 141 A CB 0.263 19.241 19.000 -0.037 0.000 0.828 141 A HN 0.254 nan 8.150 nan 0.000 0.476 142 A N 0.087 122.876 122.820 -0.052 0.000 2.312 142 A HA 0.634 4.953 4.320 -0.002 0.000 0.326 142 A C 0.302 177.855 177.584 -0.051 0.000 1.172 142 A CA -0.690 51.311 52.037 -0.059 0.000 0.821 142 A CB 0.404 19.354 19.000 -0.083 0.000 1.166 142 A HN 0.452 nan 8.150 nan 0.000 0.493 143 R N 1.665 122.138 120.500 -0.045 0.000 2.738 143 R HA 0.256 4.595 4.340 -0.002 0.000 0.268 143 R C -2.196 174.076 176.300 -0.047 0.000 1.062 143 R CA -1.155 54.924 56.100 -0.036 0.000 1.158 143 R CB 0.129 30.415 30.300 -0.024 0.000 1.046 143 R HN 0.529 nan 8.270 nan 0.000 0.493 144 P HA -0.023 nan 4.420 nan 0.000 0.267 144 P C 0.357 177.634 177.300 -0.039 0.000 1.205 144 P CA 0.489 63.564 63.100 -0.042 0.000 0.765 144 P CB 0.701 32.389 31.700 -0.020 0.000 0.828 145 G N 2.504 111.261 108.800 -0.072 0.000 2.189 145 G HA2 -0.363 3.596 3.960 -0.002 0.000 0.267 145 G HA3 -0.363 3.596 3.960 -0.002 0.000 0.267 145 G C 1.051 175.890 174.900 -0.101 0.000 0.975 145 G CA 0.598 45.646 45.100 -0.087 0.000 0.644 145 G HN 0.584 nan 8.290 nan 0.000 0.537 146 Q N -0.415 119.332 119.800 -0.088 0.000 2.119 146 Q HA 0.123 4.462 4.340 -0.002 0.000 0.201 146 Q C 1.251 177.180 176.000 -0.119 0.000 0.972 146 Q CA 0.733 56.488 55.803 -0.079 0.000 0.847 146 Q CB -0.040 28.660 28.738 -0.063 0.000 0.903 146 Q HN 0.697 nan 8.270 nan 0.000 0.433 147 I N 1.791 122.262 120.570 -0.164 0.000 2.337 147 I HA 0.124 4.293 4.170 -0.002 0.000 0.291 147 I C -0.893 175.058 176.117 -0.276 0.000 1.046 147 I CA -0.530 60.649 61.300 -0.202 0.000 1.324 147 I CB 1.381 39.251 38.000 -0.217 0.000 1.409 147 I HN -0.163 nan 8.210 nan 0.000 0.494 148 V N 8.792 128.550 119.914 -0.259 0.000 2.378 148 V HA 0.329 4.448 4.120 -0.002 0.000 0.288 148 V C -2.080 173.862 176.094 -0.253 0.000 1.016 148 V CA -1.755 60.345 62.300 -0.333 0.000 0.840 148 V CB 1.534 33.170 31.823 -0.312 0.000 0.994 148 V HN 0.585 nan 8.190 nan 0.000 0.431 149 P HA 0.184 nan 4.420 nan 0.000 0.275 149 P C 0.461 177.701 177.300 -0.099 0.000 1.227 149 P CA 0.118 63.110 63.100 -0.180 0.000 0.781 149 P CB 2.200 33.812 31.700 -0.146 0.000 0.906 150 V N 1.974 121.837 119.914 -0.085 0.000 3.125 150 V HA -0.068 4.051 4.120 -0.002 0.000 0.249 150 V C 1.265 177.320 176.094 -0.066 0.000 1.113 150 V CA 0.837 63.097 62.300 -0.067 0.000 1.106 150 V CB -1.151 30.622 31.823 -0.082 0.000 0.768 150 V HN 0.655 nan 8.190 nan 0.000 0.468 151 N N 0.326 118.992 118.700 -0.056 0.000 2.453 151 N HA -0.013 4.726 4.740 -0.002 0.000 0.253 151 N C 1.305 176.756 175.510 -0.099 0.000 1.252 151 N CA 0.618 53.607 53.050 -0.101 0.000 0.917 151 N CB 0.679 39.138 38.487 -0.047 0.000 1.117 151 N HN 0.123 nan 8.380 nan 0.000 0.442 152 S N 0.458 116.017 115.700 -0.234 0.000 2.383 152 S HA -0.189 4.280 4.470 -0.002 0.000 0.227 152 S C 1.220 175.767 174.600 -0.089 0.000 1.026 152 S CA 0.924 58.995 58.200 -0.215 0.000 0.981 152 S CB -0.523 62.427 63.200 -0.417 0.000 0.818 152 S HN 0.674 nan 8.310 nan 0.000 0.472 153 E N 1.244 121.375 120.200 -0.115 0.000 2.031 153 E HA -0.090 4.259 4.350 -0.002 0.000 0.193 153 E C 1.998 178.507 176.600 -0.151 0.000 0.994 153 E CA 1.840 58.156 56.400 -0.140 0.000 0.800 153 E CB -0.511 29.020 29.700 -0.281 0.000 0.752 153 E HN 0.806 nan 8.360 nan 0.000 0.447 154 H N -0.904 118.202 119.070 0.061 0.000 2.428 154 H HA 0.036 4.591 4.556 -0.002 0.000 0.296 154 H C 2.118 177.540 175.328 0.156 0.000 1.062 154 H CA 1.232 57.378 56.048 0.162 0.000 1.350 154 H CB -0.001 29.828 29.762 0.113 0.000 1.403 154 H HN 0.033 nan 8.280 nan 0.000 0.533 155 S N 0.193 115.991 115.700 0.164 0.000 2.356 155 S HA -0.193 4.276 4.470 -0.002 0.000 0.223 155 S C 2.429 177.131 174.600 0.169 0.000 1.032 155 S CA 0.938 59.227 58.200 0.149 0.000 1.005 155 S CB -0.423 62.840 63.200 0.104 0.000 0.867 155 S HN 0.517 nan 8.310 nan 0.000 0.449 156 A N 1.593 124.486 122.820 0.122 0.000 1.883 156 A HA -0.026 4.293 4.320 -0.002 0.000 0.217 156 A C 2.242 179.865 177.584 0.066 0.000 1.186 156 A CA 1.683 53.789 52.037 0.115 0.000 0.624 156 A CB -0.964 18.107 19.000 0.119 0.000 0.822 156 A HN 0.582 nan 8.150 nan 0.000 0.444 157 L N -0.883 120.339 121.223 -0.001 0.000 2.046 157 L HA -0.219 4.120 4.340 -0.002 0.000 0.208 157 L C 3.120 179.902 176.870 -0.146 0.000 1.077 157 L CA 1.133 55.868 54.840 -0.175 0.000 0.747 157 L CB -0.599 41.218 42.059 -0.402 0.000 0.896 157 L HN 0.457 nan 8.230 nan 0.000 0.432 158 A N -0.435 122.431 122.820 0.076 0.000 1.902 158 A HA -0.248 4.071 4.320 -0.002 0.000 0.217 158 A C 2.222 179.994 177.584 0.315 0.000 1.181 158 A CA 1.611 53.786 52.037 0.231 0.000 0.623 158 A CB -0.428 18.690 19.000 0.197 0.000 0.818 158 A HN 0.501 nan 8.150 nan 0.000 0.443 159 Q N -1.139 118.837 119.800 0.293 0.000 2.046 159 Q HA -0.150 4.189 4.340 -0.002 0.000 0.200 159 Q C 2.278 178.379 176.000 0.169 0.000 0.975 159 Q CA 1.596 57.550 55.803 0.252 0.000 0.836 159 Q CB -0.414 28.447 28.738 0.206 0.000 0.896 159 Q HN 0.727 nan 8.270 nan 0.000 0.428 160 C N 0.643 120.017 119.300 0.123 0.000 2.422 160 C HA -0.069 4.390 4.460 -0.002 0.000 0.279 160 C C 2.446 177.553 174.990 0.196 0.000 1.305 160 C CA 0.427 59.520 59.018 0.126 0.000 1.757 160 C CB -0.896 26.880 27.740 0.060 0.000 1.962 160 C HN 0.465 nan 8.230 nan 0.000 0.499 161 L N 0.281 121.577 121.223 0.122 0.000 2.275 161 L HA -0.111 4.228 4.340 -0.002 0.000 0.215 161 L C 2.630 179.640 176.870 0.233 0.000 1.119 161 L CA 1.135 56.069 54.840 0.157 0.000 0.790 161 L CB -0.487 41.585 42.059 0.023 0.000 0.919 161 L HN 0.345 nan 8.230 nan 0.000 0.443 162 R N -0.203 120.409 120.500 0.187 0.000 2.241 162 R HA -0.086 4.253 4.340 -0.002 0.000 0.224 162 R C 2.209 178.549 176.300 0.067 0.000 1.101 162 R CA 0.848 57.025 56.100 0.129 0.000 0.995 162 R CB -0.505 29.858 30.300 0.104 0.000 0.870 162 R HN 0.385 nan 8.270 nan 0.000 0.463 163 G N 0.091 108.946 108.800 0.090 0.000 2.559 163 G HA2 0.024 3.983 3.960 -0.002 0.000 0.216 163 G HA3 0.024 3.983 3.960 -0.002 0.000 0.216 163 G C 0.454 175.028 174.900 -0.544 0.000 1.126 163 G CA 0.750 45.743 45.100 -0.178 0.000 0.778 163 G HN 0.464 nan 8.290 nan 0.000 0.543 164 G N -1.516 107.141 108.800 -0.238 0.000 2.548 164 G HA2 0.505 4.464 3.960 -0.002 0.000 0.301 164 G HA3 0.505 4.464 3.960 -0.002 0.000 0.301 164 G C -0.506 174.451 174.900 0.094 0.000 1.349 164 G CA 0.095 45.084 45.100 -0.184 0.000 0.792 164 G HN 0.490 nan 8.290 nan 0.000 0.481 165 T N -0.994 113.611 114.554 0.086 0.000 2.882 165 T HA 0.510 4.858 4.350 -0.002 0.000 0.287 165 T C -1.575 173.206 174.700 0.135 0.000 1.014 165 T CA -1.150 61.008 62.100 0.095 0.000 1.049 165 T CB 1.893 70.794 68.868 0.055 0.000 1.001 165 T HN 0.128 nan 8.240 nan 0.000 0.525 166 P HA -0.146 nan 4.420 nan 0.000 0.216 166 P C 1.390 178.729 177.300 0.065 0.000 1.150 166 P CA 1.236 64.383 63.100 0.078 0.000 0.843 166 P CB -0.073 31.661 31.700 0.058 0.000 0.787 167 D N -0.162 120.275 120.400 0.062 0.000 2.350 167 D HA -0.174 4.465 4.640 -0.002 0.000 0.216 167 D C 1.161 177.503 176.300 0.071 0.000 0.968 167 D CA 0.917 54.948 54.000 0.051 0.000 0.894 167 D CB -0.529 40.295 40.800 0.041 0.000 0.909 167 D HN 0.293 nan 8.370 nan 0.000 0.520 168 E N 0.094 120.367 120.200 0.122 0.000 2.474 168 E HA 0.093 4.442 4.350 -0.002 0.000 0.194 168 E C 0.095 176.835 176.600 0.233 0.000 1.041 168 E CA -0.188 56.330 56.400 0.196 0.000 0.874 168 E CB 1.031 30.873 29.700 0.238 0.000 0.914 168 E HN 0.093 nan 8.360 nan 0.000 0.498 169 V N 1.449 121.412 119.914 0.081 0.000 2.508 169 V HA 0.091 4.210 4.120 -0.002 0.000 0.281 169 V C 0.869 176.894 176.094 -0.115 0.000 1.041 169 V CA 0.307 62.520 62.300 -0.145 0.000 1.016 169 V CB 1.132 32.851 31.823 -0.173 0.000 0.984 169 V HN 0.201 nan 8.190 nan 0.000 0.478 170 A N 5.478 128.196 122.820 -0.170 0.000 1.909 170 A HA 0.324 4.643 4.320 -0.002 0.000 0.210 170 A C 0.871 178.383 177.584 -0.120 0.000 1.273 170 A CA 0.599 52.575 52.037 -0.102 0.000 0.654 170 A CB 0.283 19.241 19.000 -0.070 0.000 0.945 170 A HN 0.667 nan 8.150 nan 0.000 0.471 171 K N -0.397 119.898 120.400 -0.175 0.000 2.502 171 K HA 0.613 4.932 4.320 -0.002 0.000 0.257 171 K C -1.722 174.755 176.600 -0.205 0.000 0.938 171 K CA -0.441 55.757 56.287 -0.148 0.000 0.819 171 K CB 2.165 34.604 32.500 -0.102 0.000 1.333 171 K HN 0.221 nan 8.250 nan 0.000 0.434 172 L N 2.571 123.695 121.223 -0.166 0.000 2.289 172 L HA 0.470 4.809 4.340 -0.002 0.000 0.285 172 L C -0.536 176.261 176.870 -0.121 0.000 1.049 172 L CA -1.139 53.592 54.840 -0.182 0.000 0.804 172 L CB 1.489 43.438 42.059 -0.182 0.000 1.195 172 L HN 0.242 nan 8.230 nan 0.000 0.428 173 V N 5.076 124.917 119.914 -0.122 0.000 2.326 173 V HA 0.291 4.410 4.120 -0.002 0.000 0.281 173 V C 0.015 176.075 176.094 -0.057 0.000 1.015 173 V CA -0.453 61.800 62.300 -0.078 0.000 0.823 173 V CB 1.516 33.286 31.823 -0.089 0.000 1.009 173 V HN 0.463 nan 8.190 nan 0.000 0.436 174 L N 5.245 126.448 121.223 -0.033 0.000 2.290 174 L HA 0.471 4.810 4.340 -0.002 0.000 0.284 174 L C 0.965 177.853 176.870 0.030 0.000 1.078 174 L CA 0.479 55.305 54.840 -0.023 0.000 0.815 174 L CB 1.638 43.675 42.059 -0.036 0.000 1.162 174 L HN 0.811 nan 8.230 nan 0.000 0.435 175 T N 0.829 115.420 114.554 0.060 0.000 2.909 175 T HA 0.826 5.175 4.350 -0.002 0.000 0.286 175 T C -0.150 174.620 174.700 0.116 0.000 1.002 175 T CA -0.752 61.425 62.100 0.129 0.000 1.074 175 T CB 1.643 70.624 68.868 0.187 0.000 0.984 175 T HN 0.683 nan 8.240 nan 0.000 0.495 176 A N 1.567 124.457 122.820 0.117 0.000 2.401 176 A HA 0.659 4.978 4.320 -0.002 0.000 0.310 176 A C 1.175 178.805 177.584 0.078 0.000 1.075 176 A CA -0.378 51.711 52.037 0.086 0.000 0.746 176 A CB 1.426 20.449 19.000 0.038 0.000 1.277 176 A HN 1.144 nan 8.150 nan 0.000 0.425 177 S N 1.081 116.837 115.700 0.094 0.000 2.423 177 S HA 0.248 4.717 4.470 -0.002 0.000 0.231 177 S C 1.537 176.087 174.600 -0.083 0.000 1.014 177 S CA 1.551 59.766 58.200 0.025 0.000 0.965 177 S CB -0.220 63.053 63.200 0.122 0.000 0.785 177 S HN 2.715 nan 8.310 nan 0.000 0.495 178 G N 0.599 109.339 108.800 -0.100 0.000 2.241 178 G HA2 0.181 4.140 3.960 -0.002 0.000 0.244 178 G HA3 0.181 4.140 3.960 -0.002 0.000 0.244 178 G C 1.182 175.908 174.900 -0.290 0.000 0.998 178 G CA 0.274 45.249 45.100 -0.208 0.000 0.621 178 G HN 1.917 nan 8.290 nan 0.000 0.519 179 G N -0.039 108.607 108.800 -0.257 0.000 2.855 179 G HA2 0.143 4.102 3.960 -0.002 0.000 0.352 179 G HA3 0.143 4.102 3.960 -0.002 0.000 0.352 179 G C -0.668 173.922 174.900 -0.518 0.000 1.415 179 G CA 0.356 45.242 45.100 -0.356 0.000 0.871 179 G HN 0.882 nan 8.290 nan 0.000 0.543 180 P HA -0.007 nan 4.420 nan 0.000 0.222 180 P C 1.084 177.747 177.300 -1.063 0.000 1.147 180 P CA 1.535 64.073 63.100 -0.935 0.000 0.790 180 P CB -0.101 30.853 31.700 -1.242 0.000 0.780 181 F N -0.671 118.906 119.950 -0.623 0.000 2.647 181 F HA 0.273 4.800 4.527 -0.001 0.000 0.300 181 F C 1.355 176.939 175.800 -0.359 0.000 1.106 181 F CA -1.002 56.340 58.000 -1.097 0.000 1.313 181 F CB -0.195 38.206 39.000 -0.998 0.000 1.007 181 F HN -0.268 nan 8.300 nan 0.000 0.536 182 R N 1.325 121.755 120.500 -0.118 0.000 2.502 182 R HA 0.258 4.597 4.340 -0.002 0.000 0.292 182 R C 1.241 177.711 176.300 0.283 0.000 0.998 182 R CA 1.282 57.394 56.100 0.020 0.000 1.056 182 R CB 0.051 30.303 30.300 -0.080 0.000 0.939 182 R HN 0.557 nan 8.270 nan 0.000 0.411 183 G N 3.405 112.419 108.800 0.356 0.000 2.195 183 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.246 183 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.246 183 G C -0.546 174.638 174.900 0.474 0.000 0.984 183 G CA 0.065 45.383 45.100 0.364 0.000 0.633 183 G HN 0.597 nan 8.290 nan 0.000 0.525 184 W N 2.503 123.957 121.300 0.256 0.000 2.184 184 W HA 0.615 5.274 4.660 -0.002 0.000 0.338 184 W C 1.283 177.881 176.519 0.132 0.000 1.257 184 W CA -0.232 57.230 57.345 0.195 0.000 1.243 184 W CB 0.590 30.190 29.460 0.232 0.000 1.122 184 W HN 0.521 nan 8.180 nan 0.000 0.585 185 S N 0.899 116.750 115.700 0.252 0.000 2.624 185 S HA 0.521 4.990 4.470 -0.002 0.000 0.263 185 S C 1.005 175.657 174.600 0.087 0.000 1.287 185 S CA -0.195 58.081 58.200 0.127 0.000 0.990 185 S CB 1.189 64.428 63.200 0.065 0.000 0.950 185 S HN 0.615 nan 8.310 nan 0.000 0.561 186 A N 1.327 124.151 122.820 0.006 0.000 1.898 186 A HA 0.192 4.511 4.320 -0.002 0.000 0.216 186 A C 2.409 179.978 177.584 -0.026 0.000 1.181 186 A CA 1.640 53.648 52.037 -0.047 0.000 0.620 186 A CB -1.736 17.224 19.000 -0.066 0.000 0.819 186 A HN 1.341 nan 8.150 nan 0.000 0.442 187 A N 0.304 123.124 122.820 -0.001 0.000 1.892 187 A HA -0.275 4.044 4.320 -0.002 0.000 0.218 187 A C 1.792 179.399 177.584 0.039 0.000 1.188 187 A CA 2.130 54.173 52.037 0.010 0.000 0.631 187 A CB -0.737 18.287 19.000 0.040 0.000 0.822 187 A HN 0.467 nan 8.150 nan 0.000 0.447 188 D N -0.138 120.320 120.400 0.097 0.000 2.149 188 D HA -0.113 4.526 4.640 -0.002 0.000 0.198 188 D C 1.849 178.308 176.300 0.264 0.000 0.990 188 D CA 1.011 55.118 54.000 0.179 0.000 0.839 188 D CB -0.314 40.557 40.800 0.117 0.000 0.948 188 D HN 0.476 nan 8.370 nan 0.000 0.460 189 L N 0.726 122.038 121.223 0.148 0.000 2.291 189 L HA -0.083 4.255 4.340 -0.002 0.000 0.214 189 L C 2.112 178.938 176.870 -0.074 0.000 1.120 189 L CA 0.673 55.519 54.840 0.011 0.000 0.799 189 L CB -0.282 41.775 42.059 -0.003 0.000 0.925 189 L HN 0.019 nan 8.230 nan 0.000 0.446 190 E N -0.474 119.601 120.200 -0.208 0.000 2.209 190 E HA -0.208 4.141 4.350 -0.002 0.000 0.196 190 E C 1.411 177.810 176.600 -0.335 0.000 0.993 190 E CA 0.938 57.129 56.400 -0.350 0.000 0.819 190 E CB -0.001 29.351 29.700 -0.580 0.000 0.745 190 E HN 0.647 nan 8.360 nan 0.000 0.477 191 H N -0.762 118.345 119.070 0.062 0.000 2.586 191 H HA 0.163 4.718 4.556 -0.002 0.000 0.273 191 H C 0.394 175.765 175.328 0.072 0.000 0.997 191 H CA -0.099 55.990 56.048 0.068 0.000 1.177 191 H CB 0.207 30.004 29.762 0.059 0.000 1.471 191 H HN -0.074 nan 8.280 nan 0.000 0.538 192 V N 3.562 123.513 119.914 0.061 0.000 2.694 192 V HA -0.035 4.084 4.120 -0.002 0.000 0.306 192 V C 1.114 177.312 176.094 0.175 0.000 1.054 192 V CA 0.587 62.841 62.300 -0.077 0.000 1.161 192 V CB 0.863 32.226 31.823 -0.767 0.000 0.916 192 V HN 0.479 nan 8.190 nan 0.000 0.490 193 T N 2.819 117.479 114.554 0.177 0.000 2.925 193 T HA 0.443 4.792 4.350 -0.002 0.000 0.285 193 T C -1.924 172.891 174.700 0.191 0.000 1.021 193 T CA -2.214 59.974 62.100 0.146 0.000 1.042 193 T CB 1.930 70.849 68.868 0.086 0.000 1.037 193 T HN 0.389 nan 8.240 nan 0.000 0.481 194 P HA -0.084 nan 4.420 nan 0.000 0.218 194 P C 1.196 178.557 177.300 0.102 0.000 1.146 194 P CA 1.049 64.127 63.100 -0.036 0.000 0.813 194 P CB 0.152 31.688 31.700 -0.273 0.000 0.778 195 E N -0.658 119.587 120.200 0.075 0.000 2.076 195 E HA -0.154 4.195 4.350 -0.002 0.000 0.190 195 E C 2.103 178.773 176.600 0.117 0.000 0.979 195 E CA 0.764 57.214 56.400 0.082 0.000 0.807 195 E CB -0.270 29.464 29.700 0.058 0.000 0.761 195 E HN 0.399 nan 8.360 nan 0.000 0.454 196 Q N -0.007 119.893 119.800 0.166 0.000 2.170 196 Q HA -0.091 4.248 4.340 -0.002 0.000 0.203 196 Q C 1.880 178.019 176.000 0.232 0.000 0.976 196 Q CA 1.250 57.185 55.803 0.221 0.000 0.858 196 Q CB 0.018 28.947 28.738 0.318 0.000 0.907 196 Q HN 0.160 nan 8.270 nan 0.000 0.433 197 A N -0.032 122.977 122.820 0.314 0.000 2.218 197 A HA 0.136 4.455 4.320 -0.002 0.000 0.209 197 A C 1.872 179.553 177.584 0.162 0.000 1.168 197 A CA 0.740 52.943 52.037 0.276 0.000 0.804 197 A CB -0.057 19.207 19.000 0.440 0.000 0.834 197 A HN 0.401 nan 8.150 nan 0.000 0.482 198 G N -0.974 107.908 108.800 0.137 0.000 2.880 198 G HA2 0.399 4.358 3.960 -0.002 0.000 0.209 198 G HA3 0.399 4.358 3.960 -0.002 0.000 0.209 198 G C 0.474 175.416 174.900 0.069 0.000 1.157 198 G CA 0.729 45.894 45.100 0.108 0.000 0.779 198 G HN 0.755 nan 8.290 nan 0.000 0.539 199 A N 0.360 123.196 122.820 0.028 0.000 2.285 199 A HA 0.605 4.924 4.320 -0.002 0.000 0.310 199 A C -1.185 176.389 177.584 -0.017 0.000 1.266 199 A CA -0.648 51.398 52.037 0.014 0.000 0.832 199 A CB 0.614 19.611 19.000 -0.006 0.000 1.163 199 A HN 0.344 nan 8.150 nan 0.000 0.499 200 H N 4.057 123.101 119.070 -0.043 0.000 2.548 200 H HA 0.419 4.974 4.556 -0.002 0.000 0.331 200 H C -1.141 174.155 175.328 -0.053 0.000 1.093 200 H CA -1.085 54.936 56.048 -0.045 0.000 1.367 200 H CB 1.368 31.151 29.762 0.036 0.000 1.455 200 H HN 0.450 nan 8.280 nan 0.000 0.519 201 P HA -0.116 nan 4.420 nan 0.000 0.221 201 P C 0.691 177.923 177.300 -0.114 0.000 1.150 201 P CA 1.556 64.520 63.100 -0.228 0.000 0.800 201 P CB 0.524 32.038 31.700 -0.310 0.000 0.787 202 T N -7.483 107.083 114.554 0.020 0.000 3.010 202 T HA 0.136 4.485 4.350 -0.002 0.000 0.252 202 T C 0.160 174.767 174.700 -0.155 0.000 0.963 202 T CA -0.381 61.665 62.100 -0.090 0.000 0.952 202 T CB -0.321 68.413 68.868 -0.224 0.000 1.182 202 T HN -0.028 nan 8.240 nan 0.000 0.495 203 W N 1.910 123.383 121.300 0.288 0.000 2.689 203 W HA 0.724 5.383 4.660 -0.001 0.000 0.340 203 W C -0.673 175.824 176.519 -0.038 0.000 1.060 203 W CA -0.867 56.472 57.345 -0.009 0.000 1.218 203 W CB 1.958 31.267 29.460 -0.253 0.000 1.410 203 W HN -0.115 nan 8.180 nan 0.000 0.528 204 S N 3.593 119.432 115.700 0.231 0.000 2.461 204 S HA 0.630 5.099 4.470 -0.002 0.000 0.322 204 S C -0.297 174.352 174.600 0.081 0.000 1.063 204 S CA -0.639 57.633 58.200 0.120 0.000 1.120 204 S CB 0.146 63.393 63.200 0.079 0.000 0.968 204 S HN 0.338 nan 8.310 nan 0.000 0.467 205 M N 1.361 120.978 119.600 0.027 0.000 2.745 205 M HA 0.573 5.052 4.480 -0.002 0.000 0.290 205 M C 0.735 177.026 176.300 -0.015 0.000 1.262 205 M CA -0.921 54.366 55.300 -0.023 0.000 0.795 205 M CB 1.135 33.679 32.600 -0.092 0.000 1.758 205 M HN 0.624 nan 8.290 nan 0.000 0.461 206 G N 0.423 109.207 108.800 -0.028 0.000 2.667 206 G HA2 0.302 4.261 3.960 -0.002 0.000 0.250 206 G HA3 0.302 4.261 3.960 -0.002 0.000 0.250 206 G C -1.935 172.970 174.900 0.007 0.000 1.212 206 G CA -1.048 44.044 45.100 -0.012 0.000 0.874 206 G HN 0.479 nan 8.290 nan 0.000 0.561 207 P HA -0.134 nan 4.420 nan 0.000 0.218 207 P C 1.872 179.206 177.300 0.057 0.000 1.148 207 P CA 1.098 64.228 63.100 0.049 0.000 0.822 207 P CB 0.138 31.870 31.700 0.053 0.000 0.784 208 M N -0.573 119.050 119.600 0.037 0.000 2.193 208 M HA -0.046 4.433 4.480 -0.002 0.000 0.265 208 M C 1.985 178.301 176.300 0.027 0.000 1.071 208 M CA 1.160 56.483 55.300 0.037 0.000 1.140 208 M CB -1.829 30.784 32.600 0.020 0.000 1.369 208 M HN -0.031 nan 8.290 nan 0.000 0.423 209 N N -0.135 118.563 118.700 -0.002 0.000 2.244 209 N HA -0.099 4.640 4.740 -0.002 0.000 0.183 209 N C 1.312 176.809 175.510 -0.021 0.000 1.016 209 N CA 1.535 54.565 53.050 -0.033 0.000 0.866 209 N CB 0.123 38.560 38.487 -0.083 0.000 0.980 209 N HN 0.295 nan 8.380 nan 0.000 0.430 210 T N 1.228 115.789 114.554 0.012 0.000 2.812 210 T HA -0.091 4.258 4.350 -0.002 0.000 0.264 210 T C 1.887 176.664 174.700 0.127 0.000 1.042 210 T CA 0.600 62.736 62.100 0.060 0.000 1.140 210 T CB -0.208 68.705 68.868 0.075 0.000 0.870 210 T HN 0.125 nan 8.240 nan 0.000 0.445 211 L N 2.075 123.383 121.223 0.141 0.000 2.056 211 L HA 0.010 4.349 4.340 -0.002 0.000 0.207 211 L C 1.853 178.826 176.870 0.172 0.000 1.078 211 L CA 1.692 56.656 54.840 0.206 0.000 0.749 211 L CB -0.946 41.248 42.059 0.225 0.000 0.901 211 L HN 0.057 nan 8.230 nan 0.000 0.433 212 N N -0.515 118.244 118.700 0.099 0.000 2.205 212 N HA -0.149 4.590 4.740 -0.002 0.000 0.186 212 N C 1.895 177.459 175.510 0.090 0.000 1.015 212 N CA 1.466 54.557 53.050 0.069 0.000 0.862 212 N CB -0.396 38.112 38.487 0.036 0.000 0.986 212 N HN 0.381 nan 8.380 nan 0.000 0.429 213 S N 0.494 116.253 115.700 0.097 0.000 2.368 213 S HA -0.027 4.442 4.470 -0.002 0.000 0.224 213 S C 2.063 176.748 174.600 0.142 0.000 1.029 213 S CA 1.021 59.297 58.200 0.126 0.000 0.988 213 S CB -0.294 63.016 63.200 0.184 0.000 0.838 213 S HN 0.510 nan 8.310 nan 0.000 0.462 214 A N 1.706 124.638 122.820 0.187 0.000 1.933 214 A HA -0.083 4.236 4.320 -0.002 0.000 0.218 214 A C 2.272 180.178 177.584 0.537 0.000 1.175 214 A CA 1.869 54.061 52.037 0.258 0.000 0.628 214 A CB -0.698 18.489 19.000 0.313 0.000 0.814 214 A HN 0.608 nan 8.150 nan 0.000 0.444 215 S N -1.741 114.208 115.700 0.414 0.000 2.528 215 S HA 0.233 4.702 4.470 -0.002 0.000 0.219 215 S C 0.894 175.629 174.600 0.226 0.000 0.985 215 S CA 0.551 58.898 58.200 0.245 0.000 0.914 215 S CB 0.075 63.199 63.200 -0.127 0.000 0.776 215 S HN 0.609 nan 8.310 nan 0.000 0.526 216 L N -0.292 121.027 121.223 0.161 0.000 4.937 216 L HA -0.183 4.156 4.340 -0.002 0.000 0.422 216 L C 1.384 178.326 176.870 0.120 0.000 1.059 216 L CA 0.689 55.593 54.840 0.107 0.000 1.111 216 L CB -2.395 39.734 42.059 0.117 0.000 2.033 216 L HN 0.385 nan 8.230 nan 0.000 0.708 217 V N -0.464 119.512 119.914 0.103 0.000 2.515 217 V HA -0.213 3.906 4.120 -0.002 0.000 0.250 217 V C 2.199 178.377 176.094 0.141 0.000 1.058 217 V CA 2.266 64.644 62.300 0.129 0.000 1.064 217 V CB -0.434 31.398 31.823 0.016 0.000 0.675 217 V HN 0.557 nan 8.190 nan 0.000 0.461 218 N N 0.760 119.512 118.700 0.086 0.000 2.061 218 N HA -0.250 4.489 4.740 -0.002 0.000 0.193 218 N C 1.760 177.313 175.510 0.071 0.000 1.030 218 N CA 1.756 54.843 53.050 0.061 0.000 0.856 218 N CB -0.188 38.310 38.487 0.019 0.000 1.023 218 N HN 0.216 nan 8.380 nan 0.000 0.424 219 K N -0.148 120.295 120.400 0.070 0.000 2.097 219 K HA 0.086 4.405 4.320 -0.002 0.000 0.205 219 K C 1.883 178.534 176.600 0.085 0.000 1.050 219 K CA 1.379 57.705 56.287 0.064 0.000 0.938 219 K CB -1.053 31.479 32.500 0.053 0.000 0.718 219 K HN 0.310 nan 8.250 nan 0.000 0.442 220 G N 0.731 109.598 108.800 0.113 0.000 2.446 220 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.217 220 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.217 220 G C 1.507 176.425 174.900 0.031 0.000 1.168 220 G CA 1.100 46.247 45.100 0.079 0.000 0.771 220 G HN 0.294 nan 8.290 nan 0.000 0.551 221 L N -0.077 121.225 121.223 0.131 0.000 2.042 221 L HA -0.170 4.169 4.340 -0.002 0.000 0.210 221 L C 3.139 180.073 176.870 0.106 0.000 1.076 221 L CA 1.390 56.297 54.840 0.111 0.000 0.749 221 L CB -0.514 41.628 42.059 0.139 0.000 0.893 221 L HN 0.281 nan 8.230 nan 0.000 0.432 222 Q N -0.589 119.293 119.800 0.137 0.000 2.167 222 Q HA -0.150 4.189 4.340 -0.002 0.000 0.202 222 Q C 2.403 178.559 176.000 0.259 0.000 0.970 222 Q CA 1.288 57.237 55.803 0.243 0.000 0.855 222 Q CB -0.126 28.702 28.738 0.151 0.000 0.911 222 Q HN 0.392 nan 8.270 nan 0.000 0.438 223 V N 1.108 121.121 119.914 0.165 0.000 2.295 223 V HA -0.277 3.842 4.120 -0.002 0.000 0.246 223 V C 2.142 178.387 176.094 0.252 0.000 1.049 223 V CA 1.632 64.044 62.300 0.187 0.000 1.024 223 V CB -0.474 31.444 31.823 0.158 0.000 0.648 223 V HN 0.327 nan 8.190 nan 0.000 0.447 224 I N 0.033 120.733 120.570 0.218 0.000 2.127 224 I HA -0.284 3.885 4.170 -0.002 0.000 0.241 224 I C 2.562 178.767 176.117 0.147 0.000 1.075 224 I CA 1.886 63.331 61.300 0.241 0.000 1.334 224 I CB -0.490 37.560 38.000 0.084 0.000 1.040 224 I HN 0.368 nan 8.210 nan 0.000 0.405 225 E N 0.259 120.500 120.200 0.068 0.000 2.085 225 E HA -0.208 4.141 4.350 -0.002 0.000 0.194 225 E C 2.127 178.664 176.600 -0.105 0.000 0.994 225 E CA 1.996 58.334 56.400 -0.103 0.000 0.801 225 E CB -0.296 29.223 29.700 -0.300 0.000 0.743 225 E HN 0.483 nan 8.360 nan 0.000 0.453 226 T N 0.019 114.684 114.554 0.185 0.000 2.684 226 T HA -0.243 4.106 4.350 -0.002 0.000 0.267 226 T C 1.769 176.562 174.700 0.155 0.000 1.036 226 T CA 1.881 64.186 62.100 0.342 0.000 1.148 226 T CB -0.474 68.626 68.868 0.386 0.000 0.863 226 T HN 0.343 nan 8.240 nan 0.000 0.436 227 H N 1.012 120.024 119.070 -0.096 0.000 2.352 227 H HA 0.037 4.592 4.556 -0.002 0.000 0.299 227 H C 1.961 177.183 175.328 -0.177 0.000 1.097 227 H CA 1.372 57.246 56.048 -0.289 0.000 1.311 227 H CB -0.477 28.793 29.762 -0.819 0.000 1.377 227 H HN 0.277 nan 8.280 nan 0.000 0.504 228 L N -0.559 120.552 121.223 -0.186 0.000 2.072 228 L HA -0.086 4.253 4.340 -0.002 0.000 0.205 228 L C 2.494 179.182 176.870 -0.304 0.000 1.079 228 L CA 0.786 55.487 54.840 -0.232 0.000 0.752 228 L CB -0.312 41.684 42.059 -0.106 0.000 0.906 228 L HN 0.273 nan 8.230 nan 0.000 0.436 229 L N -1.369 119.621 121.223 -0.388 0.000 2.072 229 L HA -0.136 4.202 4.340 -0.002 0.000 0.205 229 L C 1.924 178.421 176.870 -0.622 0.000 1.079 229 L CA 1.497 55.959 54.840 -0.631 0.000 0.752 229 L CB -0.222 41.207 42.059 -1.049 0.000 0.906 229 L HN 0.167 nan 8.230 nan 0.000 0.436 230 F N -1.324 118.529 119.950 -0.161 0.000 2.704 230 F HA 0.316 4.842 4.527 -0.001 0.000 0.304 230 F C 1.627 177.329 175.800 -0.163 0.000 1.094 230 F CA 0.293 58.214 58.000 -0.131 0.000 1.275 230 F CB 0.341 39.289 39.000 -0.087 0.000 1.073 230 F HN 0.085 nan 8.300 nan 0.000 0.586 231 G N 1.691 110.413 108.800 -0.131 0.000 2.198 231 G HA2 -0.265 3.694 3.960 -0.002 0.000 0.260 231 G HA3 -0.265 3.694 3.960 -0.002 0.000 0.260 231 G C 0.023 174.830 174.900 -0.155 0.000 1.025 231 G CA -0.208 44.753 45.100 -0.232 0.000 0.769 231 G HN 0.160 nan 8.290 nan 0.000 0.507 232 I N 0.731 121.242 120.570 -0.097 0.000 2.385 232 I HA 0.321 4.490 4.170 -0.002 0.000 0.294 232 I C -1.756 174.385 176.117 0.040 0.000 0.988 232 I CA -2.991 58.293 61.300 -0.026 0.000 1.265 232 I CB 1.038 39.024 38.000 -0.023 0.000 1.388 232 I HN -0.151 nan 8.210 nan 0.000 0.480 233 P HA 0.045 nan 4.420 nan 0.000 0.267 233 P C 0.400 177.687 177.300 -0.021 0.000 1.200 233 P CA 0.168 63.304 63.100 0.060 0.000 0.772 233 P CB 0.365 32.099 31.700 0.057 0.000 0.855 234 Y N 1.258 121.556 120.300 -0.005 0.000 2.256 234 Y HA -0.249 4.300 4.550 -0.002 0.000 0.288 234 Y C 2.092 177.981 175.900 -0.017 0.000 1.155 234 Y CA 1.773 59.846 58.100 -0.046 0.000 1.203 234 Y CB -0.536 37.843 38.460 -0.135 0.000 0.980 234 Y HN 0.431 nan 8.280 nan 0.000 0.530 235 D N -0.253 120.222 120.400 0.125 0.000 2.363 235 D HA -0.092 4.547 4.640 -0.002 0.000 0.226 235 D C 1.097 177.420 176.300 0.038 0.000 1.020 235 D CA 0.625 54.668 54.000 0.072 0.000 0.892 235 D CB -0.312 40.520 40.800 0.054 0.000 0.900 235 D HN 0.283 nan 8.370 nan 0.000 0.531 236 R N -0.076 120.439 120.500 0.025 0.000 2.546 236 R HA 0.369 4.708 4.340 -0.002 0.000 0.320 236 R C -0.029 176.259 176.300 -0.020 0.000 1.021 236 R CA -0.242 55.853 56.100 -0.007 0.000 1.088 236 R CB 0.810 31.098 30.300 -0.021 0.000 1.278 236 R HN 0.189 nan 8.270 nan 0.000 0.557 237 I N 1.682 122.257 120.570 0.008 0.000 2.359 237 I HA 0.198 4.367 4.170 -0.002 0.000 0.284 237 I C -0.636 175.497 176.117 0.026 0.000 1.018 237 I CA -0.627 60.679 61.300 0.010 0.000 1.173 237 I CB 1.290 39.311 38.000 0.035 0.000 1.326 237 I HN -0.175 nan 8.210 nan 0.000 0.462 238 D N 5.343 125.743 120.400 0.001 0.000 2.277 238 D HA 0.513 5.152 4.640 -0.002 0.000 0.250 238 D C -0.443 175.868 176.300 0.019 0.000 1.032 238 D CA -0.250 53.757 54.000 0.011 0.000 0.947 238 D CB 2.720 43.515 40.800 -0.008 0.000 1.159 238 D HN 0.034 nan 8.370 nan 0.000 0.460 239 V N 1.444 121.380 119.914 0.035 0.000 2.540 239 V HA 0.444 4.563 4.120 -0.002 0.000 0.302 239 V C -0.248 175.882 176.094 0.061 0.000 1.035 239 V CA -0.700 61.628 62.300 0.046 0.000 0.873 239 V CB 2.037 33.892 31.823 0.053 0.000 0.992 239 V HN 0.258 nan 8.190 nan 0.000 0.428 240 V N 5.002 124.966 119.914 0.084 0.000 2.656 240 V HA 0.451 4.570 4.120 -0.002 0.000 0.307 240 V C -0.216 175.978 176.094 0.166 0.000 1.051 240 V CA -0.784 61.596 62.300 0.132 0.000 0.893 240 V CB 2.342 34.259 31.823 0.156 0.000 0.999 240 V HN 0.588 nan 8.190 nan 0.000 0.426 241 V N 3.868 123.872 119.914 0.150 0.000 2.488 241 V HA 0.270 4.389 4.120 -0.002 0.000 0.277 241 V C -0.268 175.918 176.094 0.154 0.000 1.046 241 V CA -0.103 62.263 62.300 0.110 0.000 0.986 241 V CB 0.771 32.621 31.823 0.044 0.000 0.989 241 V HN 0.958 nan 8.190 nan 0.000 0.475 242 H N 7.232 126.285 119.070 -0.029 0.000 2.917 242 H HA 0.426 4.980 4.556 -0.002 0.000 0.279 242 H C -2.417 172.822 175.328 -0.149 0.000 1.211 242 H CA -1.937 54.001 56.048 -0.183 0.000 1.534 242 H CB 2.060 31.684 29.762 -0.230 0.000 1.581 242 H HN 0.312 nan 8.280 nan 0.000 0.510 243 P HA -0.132 nan 4.420 nan 0.000 0.219 243 P C 0.973 178.022 177.300 -0.419 0.000 1.146 243 P CA 1.027 63.941 63.100 -0.310 0.000 0.808 243 P CB 0.470 32.050 31.700 -0.199 0.000 0.779 244 Q N -1.145 118.228 119.800 -0.711 0.000 2.311 244 Q HA 0.062 4.401 4.340 -0.002 0.000 0.203 244 Q C 0.848 176.556 176.000 -0.487 0.000 0.954 244 Q CA 0.611 56.090 55.803 -0.540 0.000 0.885 244 Q CB -0.771 27.726 28.738 -0.402 0.000 0.963 244 Q HN 0.002 nan 8.270 nan 0.000 0.471 245 S N -0.764 114.593 115.700 -0.571 0.000 3.581 245 S HA -0.210 4.259 4.470 -0.002 0.000 0.354 245 S C 0.669 175.156 174.600 -0.187 0.000 1.059 245 S CA 0.694 58.818 58.200 -0.127 0.000 1.060 245 S CB -1.762 61.434 63.200 -0.006 0.000 0.908 245 S HN 0.408 nan 8.310 nan 0.000 0.475 246 I N -0.273 120.146 120.570 -0.251 0.000 2.947 246 I HA 0.139 4.308 4.170 -0.002 0.000 0.263 246 I C 0.927 176.519 176.117 -0.876 0.000 1.130 246 I CA 0.229 61.224 61.300 -0.509 0.000 1.448 246 I CB 0.091 37.813 38.000 -0.464 0.000 1.222 246 I HN 0.320 nan 8.210 nan 0.000 0.453 247 I N 2.608 122.722 120.570 -0.760 0.000 2.587 247 I HA -0.074 4.095 4.170 -0.002 0.000 0.284 247 I C 1.063 176.957 176.117 -0.372 0.000 1.134 247 I CA 0.706 61.610 61.300 -0.661 0.000 1.410 247 I CB 0.279 37.897 38.000 -0.637 0.000 1.392 247 I HN 0.345 nan 8.210 nan 0.000 0.545 248 H N 3.569 122.626 119.070 -0.021 0.000 2.654 248 H HA 0.327 4.882 4.556 -0.002 0.000 0.264 248 H C 0.296 175.632 175.328 0.014 0.000 0.954 248 H CA 0.131 56.213 56.048 0.057 0.000 1.199 248 H CB 1.050 30.865 29.762 0.089 0.000 1.446 248 H HN 0.594 nan 8.280 nan 0.000 0.516 249 S N -0.646 115.094 115.700 0.067 0.000 2.707 249 S HA 0.370 4.839 4.470 -0.002 0.000 0.268 249 S C -1.339 173.245 174.600 -0.026 0.000 1.004 249 S CA -0.797 57.406 58.200 0.004 0.000 0.902 249 S CB 1.324 64.504 63.200 -0.034 0.000 1.157 249 S HN 0.103 nan 8.310 nan 0.000 0.468 250 M N 1.163 120.726 119.600 -0.063 0.000 2.569 250 M HA 0.653 5.132 4.480 -0.002 0.000 0.279 250 M C -1.604 174.615 176.300 -0.134 0.000 1.253 250 M CA -0.848 54.407 55.300 -0.075 0.000 0.867 250 M CB 2.136 34.685 32.600 -0.086 0.000 1.727 250 M HN 0.346 nan 8.290 nan 0.000 0.467 251 V N 0.689 120.512 119.914 -0.152 0.000 2.540 251 V HA 0.521 4.640 4.120 -0.002 0.000 0.302 251 V C -0.432 175.447 176.094 -0.359 0.000 1.035 251 V CA -0.533 61.568 62.300 -0.331 0.000 0.873 251 V CB 2.052 33.584 31.823 -0.485 0.000 0.992 251 V HN 0.898 nan 8.190 nan 0.000 0.428 252 T N 5.544 119.871 114.554 -0.379 0.000 2.767 252 T HA 0.643 4.992 4.350 -0.002 0.000 0.284 252 T C -0.471 174.000 174.700 -0.381 0.000 0.973 252 T CA 0.026 61.982 62.100 -0.240 0.000 0.996 252 T CB 0.438 69.227 68.868 -0.131 0.000 0.927 252 T HN 0.283 nan 8.240 nan 0.000 0.456 253 F N 1.757 121.687 119.950 -0.034 0.000 2.411 253 F HA 0.418 4.944 4.527 -0.002 0.000 0.324 253 F C 1.903 177.691 175.800 -0.021 0.000 1.086 253 F CA -1.356 56.628 58.000 -0.026 0.000 1.028 253 F CB 0.569 39.556 39.000 -0.022 0.000 1.284 253 F HN 0.544 nan 8.300 nan 0.000 0.501 254 I N -1.439 119.239 120.570 0.179 0.000 2.850 254 I HA -0.140 4.029 4.170 -0.002 0.000 0.266 254 I C 1.202 177.363 176.117 0.073 0.000 1.257 254 I CA 1.178 62.530 61.300 0.087 0.000 1.465 254 I CB -0.573 37.470 38.000 0.071 0.000 1.091 254 I HN 0.551 nan 8.210 nan 0.000 0.467 255 D N 1.047 121.502 120.400 0.092 0.000 2.349 255 D HA 0.123 4.762 4.640 -0.002 0.000 0.215 255 D C 1.707 178.035 176.300 0.047 0.000 1.016 255 D CA 0.803 54.835 54.000 0.054 0.000 0.870 255 D CB 0.211 41.032 40.800 0.034 0.000 0.917 255 D HN 0.496 nan 8.370 nan 0.000 0.524 256 G N -0.356 108.482 108.800 0.064 0.000 2.195 256 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.224 256 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.224 256 G C 0.258 175.192 174.900 0.057 0.000 0.990 256 G CA 0.164 45.291 45.100 0.044 0.000 0.639 256 G HN 0.532 nan 8.290 nan 0.000 0.514 257 S N 0.836 116.594 115.700 0.096 0.000 2.548 257 S HA 0.608 5.077 4.470 -0.002 0.000 0.277 257 S C 0.419 175.136 174.600 0.196 0.000 1.315 257 S CA 0.884 59.151 58.200 0.112 0.000 1.050 257 S CB 0.750 63.994 63.200 0.073 0.000 0.918 257 S HN 0.442 nan 8.310 nan 0.000 0.497 258 T N 5.759 120.388 114.554 0.124 0.000 2.823 258 T HA 0.540 4.889 4.350 -0.002 0.000 0.279 258 T C -0.694 174.088 174.700 0.136 0.000 0.998 258 T CA -0.550 61.617 62.100 0.111 0.000 0.994 258 T CB 0.695 69.563 68.868 -0.001 0.000 0.960 258 T HN 0.446 nan 8.240 nan 0.000 0.448 259 I N 2.704 123.387 120.570 0.188 0.000 2.406 259 I HA 0.663 4.832 4.170 -0.002 0.000 0.290 259 I C 0.067 176.239 176.117 0.091 0.000 0.999 259 I CA -0.915 60.483 61.300 0.164 0.000 1.124 259 I CB 1.111 39.270 38.000 0.266 0.000 1.289 259 I HN 0.709 nan 8.210 nan 0.000 0.441 260 A N 6.508 129.370 122.820 0.069 0.000 2.374 260 A HA 0.678 4.997 4.320 -0.002 0.000 0.317 260 A C -0.712 176.901 177.584 0.049 0.000 1.094 260 A CA -0.579 51.480 52.037 0.035 0.000 0.765 260 A CB 2.293 21.303 19.000 0.016 0.000 1.268 260 A HN 0.650 nan 8.150 nan 0.000 0.438 261 Q N 0.754 120.573 119.800 0.033 0.000 2.282 261 Q HA 0.691 5.030 4.340 -0.002 0.000 0.260 261 Q C -1.105 174.887 176.000 -0.014 0.000 0.964 261 Q CA -0.433 55.407 55.803 0.062 0.000 0.880 261 Q CB 1.857 30.665 28.738 0.116 0.000 1.286 261 Q HN 1.098 nan 8.270 nan 0.000 0.445 262 A N 2.440 125.256 122.820 -0.007 0.000 2.486 262 A HA 0.803 5.122 4.320 -0.002 0.000 0.300 262 A C -1.262 176.326 177.584 0.007 0.000 1.048 262 A CA -0.202 51.729 52.037 -0.176 0.000 0.696 262 A CB 1.571 20.354 19.000 -0.361 0.000 1.278 262 A HN 0.848 nan 8.150 nan 0.000 0.405 263 S N 0.713 116.399 115.700 -0.023 0.000 2.565 263 S HA 0.746 5.215 4.470 -0.002 0.000 0.274 263 S C -3.476 171.177 174.600 0.089 0.000 1.144 263 S CA -1.254 57.013 58.200 0.111 0.000 0.849 263 S CB 1.239 64.570 63.200 0.218 0.000 1.103 263 S HN 0.368 nan 8.310 nan 0.000 0.455 264 P HA 0.294 nan 4.420 nan 0.000 0.265 264 P C -2.622 174.652 177.300 -0.043 0.000 1.193 264 P CA -0.743 62.332 63.100 -0.043 0.000 0.765 264 P CB -0.672 30.994 31.700 -0.056 0.000 0.823 265 P HA 0.076 nan 4.420 nan 0.000 0.261 265 P C -0.680 176.404 177.300 -0.360 0.000 1.203 265 P CA 0.942 63.675 63.100 -0.612 0.000 0.767 265 P CB 0.118 30.963 31.700 -1.425 0.000 0.785 266 D N 4.066 124.460 120.400 -0.009 0.000 2.548 266 D HA 0.095 4.733 4.640 -0.002 0.000 0.214 266 D C 0.747 177.178 176.300 0.218 0.000 1.345 266 D CA -0.343 53.723 54.000 0.111 0.000 0.945 266 D CB 0.919 41.746 40.800 0.045 0.000 1.499 266 D HN -0.060 nan 8.370 nan 0.000 0.579 267 M N 2.400 122.157 119.600 0.262 0.000 2.358 267 M HA -0.037 4.442 4.480 -0.002 0.000 0.264 267 M C 1.539 177.874 176.300 0.058 0.000 1.064 267 M CA 1.017 56.396 55.300 0.132 0.000 1.093 267 M CB -0.489 32.150 32.600 0.065 0.000 1.401 267 M HN 0.414 nan 8.290 nan 0.000 0.440 268 K N -0.222 120.215 120.400 0.062 0.000 2.209 268 K HA -0.156 4.163 4.320 -0.002 0.000 0.204 268 K C 1.878 178.507 176.600 0.048 0.000 1.048 268 K CA 0.766 57.078 56.287 0.040 0.000 0.940 268 K CB -0.221 32.304 32.500 0.042 0.000 0.729 268 K HN 0.168 nan 8.250 nan 0.000 0.451 269 L N 1.952 123.213 121.223 0.063 0.000 1.973 269 L HA -0.073 4.266 4.340 -0.002 0.000 0.208 269 L C -1.268 175.645 176.870 0.072 0.000 1.073 269 L CA 1.704 56.587 54.840 0.073 0.000 0.746 269 L CB -0.987 41.122 42.059 0.083 0.000 0.891 269 L HN 0.017 nan 8.230 nan 0.000 0.433 270 P HA -0.148 nan 4.420 nan 0.000 0.218 270 P C 2.137 179.459 177.300 0.038 0.000 1.149 270 P CA 1.684 64.814 63.100 0.049 0.000 0.817 270 P CB -0.050 31.646 31.700 -0.005 0.000 0.785 271 I N 0.895 121.469 120.570 0.006 0.000 2.179 271 I HA -0.258 3.911 4.170 -0.002 0.000 0.242 271 I C 2.783 178.883 176.117 -0.029 0.000 1.088 271 I CA 2.138 63.421 61.300 -0.028 0.000 1.357 271 I CB -0.876 37.095 38.000 -0.049 0.000 1.051 271 I HN 0.076 nan 8.210 nan 0.000 0.409 272 S N 1.075 116.782 115.700 0.011 0.000 2.368 272 S HA -0.203 4.266 4.470 -0.002 0.000 0.225 272 S C 2.024 176.704 174.600 0.134 0.000 1.030 272 S CA 1.049 59.279 58.200 0.051 0.000 0.999 272 S CB -0.764 62.504 63.200 0.112 0.000 0.844 272 S HN 0.337 nan 8.310 nan 0.000 0.459 273 L N 2.049 123.365 121.223 0.156 0.000 2.093 273 L HA 0.275 4.614 4.340 -0.002 0.000 0.208 273 L C 2.731 179.806 176.870 0.341 0.000 1.085 273 L CA 1.530 56.517 54.840 0.245 0.000 0.755 273 L CB -1.388 40.834 42.059 0.272 0.000 0.904 273 L HN 0.389 nan 8.230 nan 0.000 0.435 274 A N -0.623 122.324 122.820 0.212 0.000 1.902 274 A HA -0.159 4.159 4.320 -0.002 0.000 0.217 274 A C 2.248 179.905 177.584 0.122 0.000 1.181 274 A CA 1.905 54.027 52.037 0.142 0.000 0.623 274 A CB -0.790 18.218 19.000 0.013 0.000 0.818 274 A HN 0.477 nan 8.150 nan 0.000 0.443 275 L N -1.087 120.153 121.223 0.029 0.000 2.056 275 L HA -0.082 4.257 4.340 -0.002 0.000 0.207 275 L C 2.489 179.503 176.870 0.240 0.000 1.078 275 L CA 1.202 56.006 54.840 -0.060 0.000 0.749 275 L CB -0.524 41.184 42.059 -0.586 0.000 0.901 275 L HN 0.497 nan 8.230 nan 0.000 0.433 276 G N -2.123 106.906 108.800 0.381 0.000 3.189 276 G HA2 -0.107 3.852 3.960 -0.002 0.000 0.225 276 G HA3 -0.107 3.852 3.960 -0.002 0.000 0.225 276 G C 0.338 175.395 174.900 0.262 0.000 1.159 276 G CA -0.547 44.811 45.100 0.429 0.000 0.763 276 G HN 0.194 nan 8.290 nan 0.000 0.549 277 W N 2.556 123.922 121.300 0.110 0.000 2.484 277 W HA 0.017 4.676 4.660 -0.001 0.000 0.337 277 W C -1.362 175.194 176.519 0.062 0.000 1.214 277 W CA -0.766 56.623 57.345 0.073 0.000 1.296 277 W CB 0.952 30.443 29.460 0.053 0.000 1.174 277 W HN 0.139 nan 8.180 nan 0.000 0.564 278 P HA 0.035 nan 4.420 nan 0.000 0.249 278 P C -0.018 176.908 177.300 -0.623 0.000 1.229 278 P CA 0.649 63.097 63.100 -1.087 0.000 0.788 278 P CB 0.216 31.506 31.700 -0.682 0.000 1.072 279 R N 1.060 121.403 120.500 -0.262 0.000 2.265 279 R HA 0.307 4.646 4.340 -0.002 0.000 0.314 279 R C 0.550 176.806 176.300 -0.073 0.000 1.053 279 R CA -0.460 55.552 56.100 -0.146 0.000 0.931 279 R CB 0.943 31.197 30.300 -0.077 0.000 1.024 279 R HN 0.095 nan 8.270 nan 0.000 0.457 280 R N 1.346 121.803 120.500 -0.071 0.000 2.643 280 R HA 0.128 4.467 4.340 -0.002 0.000 0.270 280 R C -0.356 175.961 176.300 0.028 0.000 1.061 280 R CA -0.218 55.878 56.100 -0.007 0.000 1.107 280 R CB 0.703 30.996 30.300 -0.012 0.000 0.999 280 R HN 0.249 nan 8.270 nan 0.000 0.460 281 V N 2.337 122.295 119.914 0.073 0.000 2.333 281 V HA 0.047 4.166 4.120 -0.002 0.000 0.274 281 V C 0.423 176.555 176.094 0.064 0.000 1.028 281 V CA -0.340 62.012 62.300 0.086 0.000 0.851 281 V CB 1.352 33.282 31.823 0.178 0.000 1.000 281 V HN 0.775 nan 8.190 nan 0.000 0.456 282 S N 4.259 119.982 115.700 0.038 0.000 2.546 282 S HA 0.362 4.831 4.470 -0.002 0.000 0.290 282 S C 1.374 176.000 174.600 0.042 0.000 1.290 282 S CA 0.909 59.128 58.200 0.033 0.000 1.069 282 S CB 0.057 63.268 63.200 0.017 0.000 0.846 282 S HN 1.802 nan 8.310 nan 0.000 0.495 283 G N 3.299 112.124 108.800 0.043 0.000 2.148 283 G HA2 -0.274 3.685 3.960 -0.002 0.000 0.254 283 G HA3 -0.274 3.685 3.960 -0.002 0.000 0.254 283 G C 0.970 175.901 174.900 0.051 0.000 0.981 283 G CA 0.454 45.580 45.100 0.043 0.000 0.670 283 G HN 1.325 nan 8.290 nan 0.000 0.528 284 A N -0.803 122.055 122.820 0.062 0.000 1.940 284 A HA 0.542 4.861 4.320 -0.002 0.000 0.219 284 A C 1.576 179.194 177.584 0.057 0.000 1.176 284 A CA 2.549 54.628 52.037 0.069 0.000 0.631 284 A CB -0.143 18.907 19.000 0.084 0.000 0.814 284 A HN 2.414 nan 8.150 nan 0.000 0.446 285 A N -2.836 120.016 122.820 0.053 0.000 2.610 285 A HA 0.675 4.994 4.320 -0.002 0.000 0.291 285 A C -0.185 177.422 177.584 0.039 0.000 1.086 285 A CA -0.142 51.923 52.037 0.047 0.000 0.677 285 A CB 0.059 19.093 19.000 0.056 0.000 1.278 285 A HN 1.509 nan 8.150 nan 0.000 0.414 286 A N 0.368 123.204 122.820 0.027 0.000 2.477 286 A HA 0.619 4.938 4.320 -0.002 0.000 0.246 286 A C 0.733 178.327 177.584 0.015 0.000 1.078 286 A CA 0.484 52.531 52.037 0.015 0.000 0.770 286 A CB -0.206 18.794 19.000 -0.000 0.000 1.011 286 A HN 2.369 nan 8.150 nan 0.000 0.494 287 A N 1.323 124.149 122.820 0.009 0.000 2.287 287 A HA 0.478 4.796 4.320 -0.002 0.000 0.273 287 A C 0.502 178.044 177.584 -0.069 0.000 1.091 287 A CA -0.348 51.691 52.037 0.004 0.000 0.817 287 A CB -0.110 18.905 19.000 0.025 0.000 1.069 287 A HN 1.025 nan 8.150 nan 0.000 0.492 288 C N 1.413 120.650 119.300 -0.106 0.000 2.563 288 C HA 0.146 4.605 4.460 -0.002 0.000 0.411 288 C C 0.616 175.267 174.990 -0.564 0.000 1.386 288 C CA 0.486 59.306 59.018 -0.330 0.000 1.703 288 C CB -1.118 26.396 27.740 -0.377 0.000 2.596 288 C HN 0.816 nan 8.230 nan 0.000 0.605 289 D N 1.207 121.283 120.400 -0.540 0.000 2.412 289 D HA 0.335 4.974 4.640 -0.002 0.000 0.224 289 D C -0.111 175.858 176.300 -0.551 0.000 1.093 289 D CA -0.473 53.266 54.000 -0.436 0.000 0.850 289 D CB 0.208 40.896 40.800 -0.186 0.000 1.046 289 D HN 0.482 nan 8.370 nan 0.000 0.507 290 F N 1.604 121.415 119.950 -0.231 0.000 2.664 290 F HA 0.185 4.710 4.527 -0.003 0.000 0.301 290 F C 1.327 177.019 175.800 -0.180 0.000 1.126 290 F CA -0.159 57.724 58.000 -0.196 0.000 1.373 290 F CB 0.161 39.060 39.000 -0.168 0.000 1.042 290 F HN 0.539 nan 8.300 nan 0.000 0.535 291 H N -2.024 117.100 119.070 0.090 0.000 2.539 291 H HA 0.123 4.678 4.556 -0.001 0.000 0.269 291 H C 0.800 176.146 175.328 0.029 0.000 0.980 291 H CA 0.235 56.317 56.048 0.056 0.000 1.152 291 H CB 0.533 30.316 29.762 0.034 0.000 1.407 291 H HN -0.004 nan 8.280 nan 0.000 0.564 292 T N 0.273 114.884 114.554 0.095 0.000 2.893 292 T HA 0.603 4.952 4.350 -0.002 0.000 0.291 292 T C -0.526 174.191 174.700 0.028 0.000 1.028 292 T CA -0.718 61.413 62.100 0.052 0.000 0.995 292 T CB 1.003 69.889 68.868 0.030 0.000 1.051 292 T HN 0.287 nan 8.240 nan 0.000 0.470 293 A N 2.854 125.686 122.820 0.019 0.000 2.531 293 A HA 0.565 4.884 4.320 -0.002 0.000 0.236 293 A C 0.521 178.100 177.584 -0.009 0.000 1.062 293 A CA 0.320 52.359 52.037 0.003 0.000 0.760 293 A CB -0.401 18.599 19.000 -0.000 0.000 0.995 293 A HN 1.319 nan 8.150 nan 0.000 0.501 294 S N 0.336 116.017 115.700 -0.031 0.000 2.625 294 S HA 0.822 5.291 4.470 -0.002 0.000 0.271 294 S C -0.656 173.893 174.600 -0.084 0.000 1.161 294 S CA -0.027 58.153 58.200 -0.034 0.000 0.820 294 S CB 1.380 64.576 63.200 -0.007 0.000 1.137 294 S HN 2.123 nan 8.310 nan 0.000 0.470 295 S N 0.168 115.852 115.700 -0.026 0.000 2.540 295 S HA 0.757 5.226 4.470 -0.002 0.000 0.275 295 S C -1.950 172.770 174.600 0.200 0.000 1.123 295 S CA -0.719 57.466 58.200 -0.024 0.000 0.907 295 S CB 0.824 64.029 63.200 0.009 0.000 1.081 295 S HN 0.761 nan 8.310 nan 0.000 0.476 296 W N 1.804 123.132 121.300 0.046 0.000 2.318 296 W HA 0.524 5.184 4.660 0.000 0.000 0.315 296 W C -0.043 176.399 176.519 -0.128 0.000 1.033 296 W CA -1.054 56.310 57.345 0.033 0.000 1.275 296 W CB 0.336 29.821 29.460 0.042 0.000 1.250 296 W HN 0.765 nan 8.180 nan 0.000 0.421 297 E N 1.999 122.201 120.200 0.003 0.000 2.191 297 E HA 0.622 4.971 4.350 -0.002 0.000 0.274 297 E C -1.198 175.192 176.600 -0.351 0.000 0.948 297 E CA -0.773 55.579 56.400 -0.080 0.000 0.802 297 E CB 1.754 31.448 29.700 -0.010 0.000 1.137 297 E HN 0.059 nan 8.360 nan 0.000 0.397 298 F N 1.275 121.335 119.950 0.183 0.000 2.551 298 F HA 0.355 4.881 4.527 -0.002 0.000 0.316 298 F C 0.009 175.867 175.800 0.096 0.000 1.089 298 F CA -0.789 57.294 58.000 0.138 0.000 0.915 298 F CB 1.848 40.900 39.000 0.087 0.000 1.186 298 F HN 0.378 nan 8.300 nan 0.000 0.456 299 E N 1.949 122.295 120.200 0.243 0.000 2.390 299 E HA 0.517 4.866 4.350 -0.002 0.000 0.277 299 E C -3.281 173.404 176.600 0.143 0.000 0.939 299 E CA -2.549 53.949 56.400 0.162 0.000 0.769 299 E CB 2.590 32.358 29.700 0.113 0.000 1.251 299 E HN 0.119 nan 8.360 nan 0.000 0.450 300 P HA 0.050 nan 4.420 nan 0.000 0.271 300 P C -0.474 176.884 177.300 0.097 0.000 1.218 300 P CA -0.587 62.572 63.100 0.100 0.000 0.780 300 P CB 0.642 32.394 31.700 0.087 0.000 0.901 301 L N 2.394 123.671 121.223 0.091 0.000 2.426 301 L HA 0.211 4.550 4.340 -0.002 0.000 0.271 301 L C 0.315 177.266 176.870 0.135 0.000 1.169 301 L CA 0.242 55.139 54.840 0.094 0.000 0.836 301 L CB -0.286 41.820 42.059 0.079 0.000 1.112 301 L HN 0.242 nan 8.230 nan 0.000 0.465 302 D N 2.418 122.936 120.400 0.197 0.000 2.453 302 D HA 0.049 4.688 4.640 -0.002 0.000 0.223 302 D C 1.107 177.557 176.300 0.250 0.000 1.183 302 D CA 0.419 54.554 54.000 0.224 0.000 0.933 302 D CB 0.853 41.819 40.800 0.277 0.000 1.038 302 D HN 0.769 nan 8.370 nan 0.000 0.513 303 T N 0.039 114.694 114.554 0.168 0.000 2.995 303 T HA -0.124 4.225 4.350 -0.002 0.000 0.269 303 T C 1.173 175.942 174.700 0.115 0.000 1.091 303 T CA 0.589 62.779 62.100 0.150 0.000 1.128 303 T CB 0.194 69.125 68.868 0.105 0.000 0.891 303 T HN 0.208 nan 8.240 nan 0.000 0.492 304 D N 1.382 121.836 120.400 0.091 0.000 2.097 304 D HA -0.044 4.595 4.640 -0.002 0.000 0.197 304 D C 2.258 178.562 176.300 0.005 0.000 0.984 304 D CA 1.024 55.053 54.000 0.048 0.000 0.826 304 D CB -0.149 40.677 40.800 0.042 0.000 0.973 304 D HN 0.352 nan 8.370 nan 0.000 0.460 305 V N -0.076 119.838 119.914 -0.000 0.000 2.591 305 V HA -0.092 4.027 4.120 -0.002 0.000 0.249 305 V C 0.672 176.501 176.094 -0.442 0.000 1.053 305 V CA 0.940 63.113 62.300 -0.211 0.000 1.068 305 V CB -0.242 31.457 31.823 -0.207 0.000 0.689 305 V HN 0.025 nan 8.190 nan 0.000 0.462 306 F N 1.207 121.198 119.950 0.069 0.000 2.449 306 F HA 0.407 4.934 4.527 -0.001 0.000 0.344 306 F C -1.871 173.960 175.800 0.052 0.000 1.180 306 F CA -1.788 56.249 58.000 0.062 0.000 1.209 306 F CB 1.190 40.240 39.000 0.083 0.000 1.440 306 F HN 0.059 nan 8.300 nan 0.000 0.526 307 P HA 0.069 nan 4.420 nan 0.000 0.253 307 P C 1.275 178.653 177.300 0.130 0.000 1.260 307 P CA 0.420 63.589 63.100 0.115 0.000 0.800 307 P CB 0.378 32.118 31.700 0.068 0.000 1.162 308 A N 0.310 123.224 122.820 0.156 0.000 1.978 308 A HA -0.116 4.203 4.320 -0.002 0.000 0.220 308 A C 2.193 179.898 177.584 0.202 0.000 1.170 308 A CA 1.659 53.807 52.037 0.186 0.000 0.636 308 A CB -1.455 17.646 19.000 0.169 0.000 0.810 308 A HN 0.107 nan 8.150 nan 0.000 0.448 309 V N -0.530 119.470 119.914 0.143 0.000 2.379 309 V HA -0.151 3.968 4.120 -0.002 0.000 0.245 309 V C 2.528 178.647 176.094 0.042 0.000 1.044 309 V CA 2.093 64.445 62.300 0.087 0.000 1.036 309 V CB -0.612 31.262 31.823 0.085 0.000 0.664 309 V HN 0.526 nan 8.190 nan 0.000 0.453 310 E N 0.263 120.500 120.200 0.062 0.000 2.077 310 E HA -0.164 4.185 4.350 -0.002 0.000 0.193 310 E C 1.991 178.601 176.600 0.018 0.000 0.989 310 E CA 0.964 57.385 56.400 0.035 0.000 0.800 310 E CB -0.437 29.295 29.700 0.054 0.000 0.746 310 E HN 0.265 nan 8.360 nan 0.000 0.452 311 L N 0.352 121.622 121.223 0.079 0.000 2.043 311 L HA -0.159 4.180 4.340 -0.002 0.000 0.212 311 L C 2.225 179.076 176.870 -0.030 0.000 1.075 311 L CA 2.083 56.995 54.840 0.120 0.000 0.752 311 L CB -1.514 40.698 42.059 0.254 0.000 0.891 311 L HN 0.173 nan 8.230 nan 0.000 0.432 312 A N -0.808 121.888 122.820 -0.206 0.000 1.883 312 A HA -0.238 4.081 4.320 -0.002 0.000 0.217 312 A C 2.446 179.733 177.584 -0.495 0.000 1.186 312 A CA 1.697 53.322 52.037 -0.686 0.000 0.624 312 A CB -0.456 18.204 19.000 -0.566 0.000 0.822 312 A HN 0.390 nan 8.150 nan 0.000 0.444 313 R N -0.662 119.628 120.500 -0.349 0.000 2.083 313 R HA -0.182 4.157 4.340 -0.002 0.000 0.237 313 R C 2.524 178.520 176.300 -0.507 0.000 1.137 313 R CA 1.842 57.640 56.100 -0.503 0.000 0.951 313 R CB -0.399 29.772 30.300 -0.215 0.000 0.851 313 R HN 0.705 nan 8.270 nan 0.000 0.434 314 Q N -0.037 119.610 119.800 -0.255 0.000 2.084 314 Q HA -0.132 4.207 4.340 -0.002 0.000 0.202 314 Q C 2.230 178.127 176.000 -0.173 0.000 0.978 314 Q CA 1.628 57.338 55.803 -0.155 0.000 0.844 314 Q CB -0.171 28.559 28.738 -0.013 0.000 0.898 314 Q HN 0.378 nan 8.270 nan 0.000 0.426 315 A N 0.877 123.585 122.820 -0.187 0.000 1.902 315 A HA -0.105 4.214 4.320 -0.002 0.000 0.217 315 A C 2.287 179.732 177.584 -0.232 0.000 1.181 315 A CA 1.618 53.566 52.037 -0.148 0.000 0.623 315 A CB -1.161 17.767 19.000 -0.120 0.000 0.818 315 A HN 0.483 nan 8.150 nan 0.000 0.443 316 G N -0.624 107.895 108.800 -0.468 0.000 2.418 316 G HA2 -0.097 3.862 3.960 -0.002 0.000 0.217 316 G HA3 -0.097 3.862 3.960 -0.002 0.000 0.217 316 G C 1.510 176.141 174.900 -0.450 0.000 1.158 316 G CA 1.192 45.951 45.100 -0.569 0.000 0.771 316 G HN 0.304 nan 8.290 nan 0.000 0.545 317 V N 1.564 121.141 119.914 -0.561 0.000 2.343 317 V HA -0.135 3.984 4.120 -0.002 0.000 0.247 317 V C 3.334 179.369 176.094 -0.099 0.000 1.051 317 V CA 2.009 64.167 62.300 -0.236 0.000 1.036 317 V CB -0.799 30.904 31.823 -0.200 0.000 0.654 317 V HN 0.472 nan 8.190 nan 0.000 0.451 318 A N -0.888 121.873 122.820 -0.097 0.000 1.933 318 A HA 0.226 4.545 4.320 -0.002 0.000 0.218 318 A C 1.715 179.296 177.584 -0.005 0.000 1.175 318 A CA 1.699 53.716 52.037 -0.033 0.000 0.628 318 A CB -0.980 18.012 19.000 -0.014 0.000 0.814 318 A HN 1.223 nan 8.150 nan 0.000 0.444 319 G N -2.758 106.038 108.800 -0.007 0.000 2.645 319 G HA2 0.243 4.202 3.960 -0.002 0.000 0.239 319 G HA3 0.243 4.202 3.960 -0.002 0.000 0.239 319 G C 1.269 176.199 174.900 0.051 0.000 1.331 319 G CA 0.712 45.834 45.100 0.037 0.000 0.890 319 G HN 2.304 nan 8.290 nan 0.000 0.572 320 G N -1.971 106.865 108.800 0.061 0.000 2.602 320 G HA2 -0.224 3.735 3.960 -0.002 0.000 0.310 320 G HA3 -0.224 3.735 3.960 -0.002 0.000 0.310 320 G C 1.436 176.382 174.900 0.077 0.000 1.183 320 G CA 1.877 47.017 45.100 0.067 0.000 0.979 320 G HN 2.151 nan 8.290 nan 0.000 0.545 321 C N 1.632 120.999 119.300 0.112 0.000 2.855 321 C HA 0.422 4.881 4.460 -0.002 0.000 0.279 321 C C 2.771 177.817 174.990 0.093 0.000 1.270 321 C CA 0.756 59.836 59.018 0.104 0.000 1.702 321 C CB -0.998 26.840 27.740 0.163 0.000 1.949 321 C HN 0.517 nan 8.230 nan 0.000 0.618 322 M N 1.534 121.196 119.600 0.103 0.000 2.229 322 M HA -0.078 4.401 4.480 -0.002 0.000 0.264 322 M C 2.365 178.715 176.300 0.084 0.000 1.063 322 M CA 1.790 57.150 55.300 0.100 0.000 1.114 322 M CB -1.636 31.007 32.600 0.073 0.000 1.387 322 M HN 0.645 nan 8.290 nan 0.000 0.420 323 T N -1.362 113.226 114.554 0.056 0.000 2.904 323 T HA 0.083 4.431 4.350 -0.002 0.000 0.267 323 T C 1.958 176.716 174.700 0.096 0.000 1.059 323 T CA 1.111 63.246 62.100 0.059 0.000 1.137 323 T CB -0.507 68.374 68.868 0.022 0.000 0.879 323 T HN 0.305 nan 8.240 nan 0.000 0.467 324 A N 1.269 124.119 122.820 0.049 0.000 1.933 324 A HA 0.052 4.371 4.320 -0.002 0.000 0.218 324 A C 2.589 180.179 177.584 0.010 0.000 1.175 324 A CA 1.546 53.592 52.037 0.014 0.000 0.628 324 A CB -1.109 17.870 19.000 -0.035 0.000 0.814 324 A HN 0.412 nan 8.150 nan 0.000 0.444 325 V N -1.496 118.435 119.914 0.030 0.000 2.307 325 V HA -0.280 3.839 4.120 -0.002 0.000 0.245 325 V C 2.309 178.451 176.094 0.079 0.000 1.045 325 V CA 2.055 64.388 62.300 0.055 0.000 1.024 325 V CB -1.084 30.819 31.823 0.133 0.000 0.651 325 V HN 0.718 nan 8.190 nan 0.000 0.449 326 Y N 1.831 122.125 120.300 -0.011 0.000 2.081 326 Y HA -0.352 4.196 4.550 -0.002 0.000 0.280 326 Y C 2.568 178.447 175.900 -0.034 0.000 1.163 326 Y CA 2.523 60.606 58.100 -0.027 0.000 1.135 326 Y CB -0.413 38.031 38.460 -0.027 0.000 0.970 326 Y HN 0.389 nan 8.280 nan 0.000 0.498 327 N N 0.109 118.899 118.700 0.150 0.000 2.084 327 N HA -0.185 4.553 4.740 -0.002 0.000 0.190 327 N C 1.869 177.343 175.510 -0.060 0.000 1.030 327 N CA 1.838 54.911 53.050 0.038 0.000 0.849 327 N CB -0.618 37.918 38.487 0.083 0.000 1.012 327 N HN 0.461 nan 8.380 nan 0.000 0.423 328 A N 0.115 122.906 122.820 -0.048 0.000 1.933 328 A HA 0.081 4.400 4.320 -0.002 0.000 0.218 328 A C 2.310 179.830 177.584 -0.106 0.000 1.175 328 A CA 1.759 53.752 52.037 -0.073 0.000 0.628 328 A CB -1.162 17.793 19.000 -0.074 0.000 0.814 328 A HN 0.472 nan 8.150 nan 0.000 0.444 329 A N 0.422 123.166 122.820 -0.127 0.000 1.902 329 A HA -0.213 4.106 4.320 -0.002 0.000 0.217 329 A C 1.954 179.425 177.584 -0.187 0.000 1.181 329 A CA 2.064 54.004 52.037 -0.162 0.000 0.623 329 A CB -0.769 18.129 19.000 -0.169 0.000 0.818 329 A HN 0.641 nan 8.150 nan 0.000 0.443 330 N N -0.021 118.534 118.700 -0.242 0.000 2.069 330 N HA -0.204 4.535 4.740 -0.002 0.000 0.191 330 N C 1.639 177.071 175.510 -0.130 0.000 1.031 330 N CA 2.121 55.035 53.050 -0.226 0.000 0.852 330 N CB -0.323 38.001 38.487 -0.272 0.000 1.018 330 N HN 0.626 nan 8.380 nan 0.000 0.423 331 E N -0.371 119.770 120.200 -0.099 0.000 2.097 331 E HA -0.208 4.141 4.350 -0.002 0.000 0.196 331 E C 1.740 178.309 176.600 -0.051 0.000 1.000 331 E CA 1.160 57.525 56.400 -0.059 0.000 0.804 331 E CB -0.086 29.584 29.700 -0.049 0.000 0.740 331 E HN 0.465 nan 8.360 nan 0.000 0.454 332 E N 0.425 120.582 120.200 -0.071 0.000 2.028 332 E HA -0.148 4.201 4.350 -0.002 0.000 0.191 332 E C 2.091 178.660 176.600 -0.052 0.000 0.988 332 E CA 1.108 57.469 56.400 -0.065 0.000 0.799 332 E CB -0.383 29.263 29.700 -0.090 0.000 0.755 332 E HN 0.247 nan 8.360 nan 0.000 0.447 333 A N 1.498 124.274 122.820 -0.072 0.000 1.933 333 A HA -0.043 4.276 4.320 -0.002 0.000 0.218 333 A C 2.398 179.981 177.584 -0.002 0.000 1.175 333 A CA 1.953 53.956 52.037 -0.057 0.000 0.628 333 A CB -0.514 18.421 19.000 -0.109 0.000 0.814 333 A HN 0.256 nan 8.150 nan 0.000 0.444 334 A N -0.022 122.793 122.820 -0.008 0.000 1.902 334 A HA 0.174 4.493 4.320 -0.002 0.000 0.217 334 A C 2.499 180.157 177.584 0.125 0.000 1.181 334 A CA 1.976 54.053 52.037 0.067 0.000 0.623 334 A CB -1.023 17.995 19.000 0.031 0.000 0.818 334 A HN 1.060 nan 8.150 nan 0.000 0.443 335 A N -0.240 122.614 122.820 0.056 0.000 1.978 335 A HA 0.149 4.468 4.320 -0.002 0.000 0.220 335 A C 2.416 180.026 177.584 0.043 0.000 1.170 335 A CA 2.051 54.114 52.037 0.042 0.000 0.636 335 A CB -0.822 18.184 19.000 0.010 0.000 0.810 335 A HN 1.046 nan 8.150 nan 0.000 0.448 336 A N -1.594 121.255 122.820 0.049 0.000 2.016 336 A HA 0.122 4.441 4.320 -0.002 0.000 0.217 336 A C 1.938 179.575 177.584 0.089 0.000 1.162 336 A CA 1.273 53.336 52.037 0.043 0.000 0.662 336 A CB -0.567 18.448 19.000 0.025 0.000 0.812 336 A HN 0.624 nan 8.150 nan 0.000 0.450 337 F N 0.771 120.719 119.950 -0.003 0.000 2.084 337 F HA -0.059 4.467 4.527 -0.002 0.000 0.296 337 F C 1.765 177.594 175.800 0.048 0.000 1.111 337 F CA 1.551 59.569 58.000 0.030 0.000 1.224 337 F CB -0.333 38.697 39.000 0.050 0.000 0.991 337 F HN 0.114 nan 8.300 nan 0.000 0.471 338 L N -0.061 121.131 121.223 -0.051 0.000 2.265 338 L HA -0.122 4.217 4.340 -0.002 0.000 0.215 338 L C 2.457 179.245 176.870 -0.136 0.000 1.117 338 L CA 0.910 55.668 54.840 -0.135 0.000 0.782 338 L CB -0.983 41.093 42.059 0.029 0.000 0.914 338 L HN 0.286 nan 8.230 nan 0.000 0.441 339 A N -0.640 122.125 122.820 -0.092 0.000 2.132 339 A HA 0.318 4.637 4.320 -0.002 0.000 0.213 339 A C 1.755 179.285 177.584 -0.090 0.000 1.154 339 A CA 0.770 52.766 52.037 -0.069 0.000 0.753 339 A CB -0.097 18.883 19.000 -0.034 0.000 0.826 339 A HN 0.465 nan 8.150 nan 0.000 0.469 340 G N -0.832 107.885 108.800 -0.139 0.000 2.131 340 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.223 340 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.223 340 G C 0.897 175.765 174.900 -0.054 0.000 0.990 340 G CA 0.786 45.810 45.100 -0.127 0.000 0.671 340 G HN 0.602 nan 8.290 nan 0.000 0.521 341 R N 0.612 121.095 120.500 -0.028 0.000 2.112 341 R HA 0.427 4.766 4.340 -0.002 0.000 0.216 341 R C 1.433 177.748 176.300 0.024 0.000 1.080 341 R CA 1.635 57.734 56.100 -0.002 0.000 0.996 341 R CB -0.134 30.164 30.300 -0.003 0.000 0.902 341 R HN 1.002 nan 8.270 nan 0.000 0.449 342 I N -2.786 117.822 120.570 0.063 0.000 3.002 342 I HA 0.719 4.888 4.170 -0.002 0.000 0.310 342 I C 0.260 176.498 176.117 0.201 0.000 1.087 342 I CA -1.548 59.810 61.300 0.095 0.000 1.017 342 I CB 1.959 40.001 38.000 0.071 0.000 1.226 342 I HN 0.019 nan 8.210 nan 0.000 0.443 343 G N 0.843 109.743 108.800 0.168 0.000 2.599 343 G HA2 0.224 4.183 3.960 -0.002 0.000 0.264 343 G HA3 0.224 4.183 3.960 -0.002 0.000 0.264 343 G C -0.067 174.979 174.900 0.243 0.000 1.200 343 G CA -0.420 44.825 45.100 0.241 0.000 0.896 343 G HN 0.761 nan 8.290 nan 0.000 0.536 344 F N 1.746 121.706 119.950 0.017 0.000 2.069 344 F HA -0.024 4.502 4.527 -0.002 0.000 0.298 344 F C 0.240 175.841 175.800 -0.333 0.000 1.113 344 F CA 1.781 59.497 58.000 -0.474 0.000 1.214 344 F CB -0.327 38.367 39.000 -0.510 0.000 0.978 344 F HN 0.308 nan 8.300 nan 0.000 0.474 345 P HA -0.021 nan 4.420 nan 0.000 0.234 345 P C 0.933 178.096 177.300 -0.228 0.000 1.167 345 P CA 1.451 64.397 63.100 -0.255 0.000 0.763 345 P CB -0.412 31.209 31.700 -0.132 0.000 0.835 346 A N -0.267 122.445 122.820 -0.180 0.000 2.119 346 A HA -0.025 4.294 4.320 -0.002 0.000 0.216 346 A C 2.152 179.629 177.584 -0.178 0.000 1.152 346 A CA 0.463 52.421 52.037 -0.132 0.000 0.708 346 A CB -1.162 17.804 19.000 -0.057 0.000 0.805 346 A HN 0.112 nan 8.150 nan 0.000 0.460 347 I N -0.555 119.842 120.570 -0.289 0.000 2.113 347 I HA -0.211 3.958 4.170 -0.002 0.000 0.238 347 I C 2.194 178.152 176.117 -0.265 0.000 1.070 347 I CA 1.358 62.479 61.300 -0.298 0.000 1.332 347 I CB -0.398 37.333 38.000 -0.450 0.000 1.044 347 I HN 0.133 nan 8.210 nan 0.000 0.402 348 V N 0.989 120.731 119.914 -0.287 0.000 2.667 348 V HA -0.092 4.027 4.120 -0.002 0.000 0.252 348 V C 2.471 178.476 176.094 -0.148 0.000 1.065 348 V CA 1.727 63.903 62.300 -0.207 0.000 1.083 348 V CB -1.000 30.721 31.823 -0.170 0.000 0.692 348 V HN 0.572 nan 8.190 nan 0.000 0.468 349 G N 0.079 108.793 108.800 -0.143 0.000 2.402 349 G HA2 -0.185 3.774 3.960 -0.002 0.000 0.216 349 G HA3 -0.185 3.774 3.960 -0.002 0.000 0.216 349 G C 1.566 176.413 174.900 -0.089 0.000 1.162 349 G CA 0.782 45.826 45.100 -0.093 0.000 0.777 349 G HN 0.486 nan 8.290 nan 0.000 0.539 350 I N 0.507 121.008 120.570 -0.115 0.000 2.286 350 I HA -0.065 4.104 4.170 -0.002 0.000 0.245 350 I C 2.603 178.635 176.117 -0.142 0.000 1.104 350 I CA 0.511 61.742 61.300 -0.115 0.000 1.397 350 I CB -0.126 37.805 38.000 -0.116 0.000 1.072 350 I HN 0.131 nan 8.210 nan 0.000 0.417 351 I N 0.839 121.302 120.570 -0.179 0.000 2.151 351 I HA -0.368 3.801 4.170 -0.002 0.000 0.243 351 I C 2.794 178.792 176.117 -0.198 0.000 1.080 351 I CA 1.612 62.782 61.300 -0.217 0.000 1.339 351 I CB -0.565 37.245 38.000 -0.316 0.000 1.039 351 I HN 0.218 nan 8.210 nan 0.000 0.409 352 A N 0.455 123.170 122.820 -0.175 0.000 1.908 352 A HA -0.250 4.069 4.320 -0.002 0.000 0.218 352 A C 1.959 179.362 177.584 -0.302 0.000 1.181 352 A CA 2.199 54.085 52.037 -0.251 0.000 0.627 352 A CB -0.625 18.378 19.000 0.005 0.000 0.818 352 A HN 0.369 nan 8.150 nan 0.000 0.445 353 D N -0.295 120.045 120.400 -0.100 0.000 2.097 353 D HA -0.099 4.539 4.640 -0.002 0.000 0.195 353 D C 2.120 178.403 176.300 -0.028 0.000 0.989 353 D CA 1.507 55.493 54.000 -0.023 0.000 0.827 353 D CB -0.519 40.268 40.800 -0.021 0.000 0.966 353 D HN 0.224 nan 8.370 nan 0.000 0.456 354 V N 1.143 121.015 119.914 -0.070 0.000 2.295 354 V HA -0.200 3.919 4.120 -0.002 0.000 0.246 354 V C 2.716 178.884 176.094 0.123 0.000 1.049 354 V CA 1.074 63.372 62.300 -0.003 0.000 1.024 354 V CB -0.520 31.254 31.823 -0.083 0.000 0.648 354 V HN 0.206 nan 8.190 nan 0.000 0.447 355 L N -0.412 120.778 121.223 -0.056 0.000 2.081 355 L HA -0.258 4.081 4.340 -0.002 0.000 0.212 355 L C 2.420 179.308 176.870 0.030 0.000 1.080 355 L CA 2.050 56.859 54.840 -0.051 0.000 0.754 355 L CB -0.612 41.310 42.059 -0.228 0.000 0.893 355 L HN 0.521 nan 8.230 nan 0.000 0.433 356 H N -1.811 117.340 119.070 0.134 0.000 2.551 356 H HA 0.123 4.678 4.556 -0.002 0.000 0.266 356 H C 1.827 177.229 175.328 0.123 0.000 0.977 356 H CA 0.360 56.469 56.048 0.100 0.000 1.163 356 H CB 0.232 30.033 29.762 0.065 0.000 1.381 356 H HN 0.331 nan 8.280 nan 0.000 0.581 357 A N 0.786 123.773 122.820 0.278 0.000 2.308 357 A HA 0.405 4.724 4.320 -0.002 0.000 0.217 357 A C 1.840 179.615 177.584 0.318 0.000 1.216 357 A CA 0.451 52.679 52.037 0.319 0.000 0.864 357 A CB -0.015 19.220 19.000 0.392 0.000 0.902 357 A HN 0.361 nan 8.150 nan 0.000 0.499 358 A N -0.023 122.947 122.820 0.249 0.000 2.411 358 A HA 0.303 4.622 4.320 -0.002 0.000 0.251 358 A C 0.866 178.390 177.584 -0.101 0.000 1.317 358 A CA 0.427 52.479 52.037 0.026 0.000 0.904 358 A CB -0.521 18.641 19.000 0.271 0.000 0.993 358 A HN 0.333 nan 8.150 nan 0.000 0.504 359 D N 1.138 121.472 120.400 -0.109 0.000 2.192 359 D HA -0.329 4.310 4.640 -0.002 0.000 0.189 359 D C 2.244 178.385 176.300 -0.264 0.000 1.007 359 D CA 2.260 56.176 54.000 -0.139 0.000 0.859 359 D CB -0.247 40.481 40.800 -0.120 0.000 0.936 359 D HN 0.842 nan 8.370 nan 0.000 0.447 360 Q N -0.677 118.811 119.800 -0.519 0.000 2.364 360 Q HA -0.149 4.190 4.340 -0.002 0.000 0.209 360 Q C 1.141 176.692 176.000 -0.748 0.000 0.977 360 Q CA 0.923 56.284 55.803 -0.737 0.000 0.885 360 Q CB -0.639 27.442 28.738 -1.095 0.000 0.941 360 Q HN 0.509 nan 8.270 nan 0.000 0.464 361 W N 0.238 121.392 121.300 -0.244 0.000 3.400 361 W HA 0.472 5.131 4.660 -0.002 0.000 0.347 361 W C 1.571 178.034 176.519 -0.095 0.000 1.218 361 W CA -0.129 57.111 57.345 -0.175 0.000 1.837 361 W CB 0.450 29.791 29.460 -0.198 0.000 1.067 361 W HN 0.218 nan 8.180 nan 0.000 0.701 362 A N -0.136 122.705 122.820 0.036 0.000 2.208 362 A HA 0.124 4.443 4.320 -0.002 0.000 0.209 362 A C 0.848 178.447 177.584 0.025 0.000 1.161 362 A CA 0.234 52.290 52.037 0.032 0.000 0.782 362 A CB -0.400 18.597 19.000 -0.005 0.000 0.816 362 A HN -0.030 nan 8.150 nan 0.000 0.477 363 V N 2.130 122.050 119.914 0.010 0.000 2.673 363 V HA 0.012 4.131 4.120 -0.002 0.000 0.303 363 V C 0.328 176.455 176.094 0.054 0.000 1.046 363 V CA -0.325 61.982 62.300 0.012 0.000 1.126 363 V CB 0.469 32.279 31.823 -0.021 0.000 0.934 363 V HN 0.437 nan 8.190 nan 0.000 0.487 364 E N 5.885 126.108 120.200 0.038 0.000 2.360 364 E HA 0.199 4.548 4.350 -0.002 0.000 0.269 364 E C -2.169 174.460 176.600 0.048 0.000 1.022 364 E CA -1.513 54.912 56.400 0.043 0.000 0.887 364 E CB 0.566 30.284 29.700 0.029 0.000 0.990 364 E HN 0.494 nan 8.360 nan 0.000 0.426 365 P HA 0.093 nan 4.420 nan 0.000 0.276 365 P C -0.303 177.016 177.300 0.031 0.000 1.230 365 P CA -0.023 63.107 63.100 0.050 0.000 0.776 365 P CB 1.243 32.969 31.700 0.042 0.000 0.888 366 A N 3.295 126.133 122.820 0.030 0.000 1.997 366 A HA 0.191 4.510 4.320 -0.002 0.000 0.212 366 A C 0.984 178.576 177.584 0.013 0.000 1.178 366 A CA 1.271 53.319 52.037 0.018 0.000 0.698 366 A CB -0.426 18.584 19.000 0.017 0.000 0.842 366 A HN 0.658 nan 8.150 nan 0.000 0.458 367 T N -5.042 109.523 114.554 0.018 0.000 2.883 367 T HA 0.444 4.793 4.350 -0.002 0.000 0.296 367 T C 0.791 175.497 174.700 0.011 0.000 1.117 367 T CA 0.066 62.173 62.100 0.012 0.000 1.006 367 T CB 1.291 70.168 68.868 0.015 0.000 1.191 367 T HN 0.108 nan 8.240 nan 0.000 0.508 368 V N 0.875 120.790 119.914 0.002 0.000 2.380 368 V HA -0.180 3.939 4.120 -0.002 0.000 0.251 368 V C 2.339 178.434 176.094 0.001 0.000 1.063 368 V CA 2.096 64.394 62.300 -0.003 0.000 1.055 368 V CB -0.873 30.944 31.823 -0.009 0.000 0.657 368 V HN 0.877 nan 8.190 nan 0.000 0.455 369 D N 0.168 120.575 120.400 0.011 0.000 2.144 369 D HA -0.162 4.477 4.640 -0.002 0.000 0.199 369 D C 1.933 178.253 176.300 0.034 0.000 0.984 369 D CA 1.483 55.495 54.000 0.019 0.000 0.834 369 D CB -0.314 40.501 40.800 0.026 0.000 0.955 369 D HN 0.451 nan 8.370 nan 0.000 0.465 370 D N 0.287 120.716 120.400 0.048 0.000 2.104 370 D HA -0.117 4.522 4.640 -0.002 0.000 0.194 370 D C 2.329 178.653 176.300 0.040 0.000 0.994 370 D CA 0.545 54.597 54.000 0.087 0.000 0.830 370 D CB -0.320 40.536 40.800 0.092 0.000 0.959 370 D HN 0.107 nan 8.370 nan 0.000 0.452 371 V N 1.162 121.077 119.914 0.003 0.000 2.343 371 V HA -0.206 3.913 4.120 -0.002 0.000 0.247 371 V C 2.680 178.722 176.094 -0.087 0.000 1.051 371 V CA 1.106 63.381 62.300 -0.041 0.000 1.036 371 V CB -0.528 31.279 31.823 -0.026 0.000 0.654 371 V HN 0.184 nan 8.190 nan 0.000 0.451 372 L N -0.208 120.981 121.223 -0.056 0.000 2.083 372 L HA -0.182 4.157 4.340 -0.002 0.000 0.209 372 L C 2.373 179.189 176.870 -0.091 0.000 1.083 372 L CA 1.518 56.321 54.840 -0.061 0.000 0.752 372 L CB -0.796 41.247 42.059 -0.028 0.000 0.899 372 L HN 0.319 nan 8.230 nan 0.000 0.433 373 D N 0.352 120.706 120.400 -0.077 0.000 2.117 373 D HA -0.160 4.479 4.640 -0.002 0.000 0.197 373 D C 2.257 178.293 176.300 -0.439 0.000 0.987 373 D CA 1.560 55.512 54.000 -0.080 0.000 0.829 373 D CB -0.075 40.794 40.800 0.115 0.000 0.961 373 D HN 0.301 nan 8.370 nan 0.000 0.460 374 A N 0.619 122.982 122.820 -0.761 0.000 1.902 374 A HA -0.230 4.089 4.320 -0.002 0.000 0.217 374 A C 2.109 179.314 177.584 -0.632 0.000 1.181 374 A CA 1.504 52.726 52.037 -1.359 0.000 0.623 374 A CB -0.580 17.883 19.000 -0.895 0.000 0.818 374 A HN 0.243 nan 8.150 nan 0.000 0.443 375 Q N -1.052 118.554 119.800 -0.323 0.000 2.079 375 Q HA -0.139 4.200 4.340 -0.002 0.000 0.200 375 Q C 2.362 178.286 176.000 -0.127 0.000 0.974 375 Q CA 1.358 57.057 55.803 -0.173 0.000 0.840 375 Q CB -0.208 28.460 28.738 -0.116 0.000 0.898 375 Q HN 0.683 nan 8.270 nan 0.000 0.430 376 R N 0.152 120.588 120.500 -0.107 0.000 2.096 376 R HA -0.224 4.115 4.340 -0.002 0.000 0.240 376 R C 1.954 178.242 176.300 -0.020 0.000 1.139 376 R CA 1.902 57.973 56.100 -0.048 0.000 0.952 376 R CB -0.393 29.903 30.300 -0.008 0.000 0.854 376 R HN 0.401 nan 8.270 nan 0.000 0.436 377 W N 0.743 121.938 121.300 -0.175 0.000 2.335 377 W HA -0.195 4.464 4.660 -0.002 0.000 0.311 377 W C 2.085 178.551 176.519 -0.087 0.000 1.213 377 W CA 2.250 59.552 57.345 -0.073 0.000 1.274 377 W CB -0.454 29.025 29.460 0.032 0.000 1.148 377 W HN 0.235 nan 8.180 nan 0.000 0.498 378 A N 0.784 123.575 122.820 -0.050 0.000 1.902 378 A HA -0.194 4.125 4.320 -0.002 0.000 0.217 378 A C 2.024 179.436 177.584 -0.287 0.000 1.181 378 A CA 1.889 53.803 52.037 -0.205 0.000 0.623 378 A CB -0.792 18.195 19.000 -0.021 0.000 0.818 378 A HN 0.429 nan 8.150 nan 0.000 0.443 379 R N -0.733 119.647 120.500 -0.200 0.000 2.073 379 R HA -0.146 4.193 4.340 -0.002 0.000 0.234 379 R C 2.317 178.495 176.300 -0.203 0.000 1.134 379 R CA 1.491 57.490 56.100 -0.168 0.000 0.952 379 R CB -0.375 29.857 30.300 -0.113 0.000 0.850 379 R HN 0.754 nan 8.270 nan 0.000 0.433 380 E N 0.596 120.653 120.200 -0.238 0.000 2.051 380 E HA -0.248 4.101 4.350 -0.002 0.000 0.192 380 E C 2.114 178.515 176.600 -0.332 0.000 0.991 380 E CA 1.169 57.423 56.400 -0.243 0.000 0.799 380 E CB 0.082 29.648 29.700 -0.223 0.000 0.748 380 E HN -0.016 nan 8.360 nan 0.000 0.449 381 R N 0.642 120.801 120.500 -0.568 0.000 2.096 381 R HA -0.065 4.274 4.340 -0.002 0.000 0.235 381 R C 1.947 178.039 176.300 -0.347 0.000 1.127 381 R CA 1.667 57.412 56.100 -0.592 0.000 0.968 381 R CB -0.808 28.806 30.300 -1.143 0.000 0.861 381 R HN 0.212 nan 8.270 nan 0.000 0.440 382 A N 0.343 122.981 122.820 -0.304 0.000 1.883 382 A HA -0.204 4.115 4.320 -0.002 0.000 0.217 382 A C 2.120 179.614 177.584 -0.149 0.000 1.186 382 A CA 1.550 53.469 52.037 -0.197 0.000 0.624 382 A CB -0.685 18.211 19.000 -0.173 0.000 0.822 382 A HN 0.407 nan 8.150 nan 0.000 0.444 383 Q N -0.088 119.625 119.800 -0.145 0.000 2.096 383 Q HA -0.174 4.165 4.340 -0.002 0.000 0.204 383 Q C 2.290 178.232 176.000 -0.096 0.000 0.982 383 Q CA 1.616 57.356 55.803 -0.105 0.000 0.850 383 Q CB -0.323 28.358 28.738 -0.095 0.000 0.901 383 Q HN 0.710 nan 8.270 nan 0.000 0.422 384 R N -0.437 119.992 120.500 -0.118 0.000 2.091 384 R HA -0.127 4.212 4.340 -0.002 0.000 0.238 384 R C 2.235 178.488 176.300 -0.077 0.000 1.136 384 R CA 1.244 57.287 56.100 -0.094 0.000 0.959 384 R CB -0.386 29.850 30.300 -0.107 0.000 0.856 384 R HN 0.237 nan 8.270 nan 0.000 0.437 385 A N 0.678 123.442 122.820 -0.092 0.000 1.930 385 A HA -0.097 4.222 4.320 -0.002 0.000 0.217 385 A C 2.380 179.930 177.584 -0.057 0.000 1.175 385 A CA 1.253 53.248 52.037 -0.072 0.000 0.627 385 A CB -0.433 18.516 19.000 -0.085 0.000 0.815 385 A HN 0.107 nan 8.150 nan 0.000 0.443 386 V N -0.192 119.685 119.914 -0.060 0.000 2.295 386 V HA -0.225 3.894 4.120 -0.002 0.000 0.246 386 V C 2.736 178.810 176.094 -0.033 0.000 1.049 386 V CA 2.305 64.579 62.300 -0.043 0.000 1.024 386 V CB -0.908 30.889 31.823 -0.042 0.000 0.648 386 V HN 0.548 nan 8.190 nan 0.000 0.447 387 S N 0.622 116.299 115.700 -0.038 0.000 2.420 387 S HA -0.167 4.302 4.470 -0.002 0.000 0.237 387 S C 1.834 176.420 174.600 -0.024 0.000 1.023 387 S CA 1.356 59.538 58.200 -0.030 0.000 0.991 387 S CB -0.543 62.638 63.200 -0.033 0.000 0.792 387 S HN 0.733 nan 8.310 nan 0.000 0.488 388 G N 0.940 109.724 108.800 -0.026 0.000 2.920 388 G HA2 0.301 4.260 3.960 -0.002 0.000 0.208 388 G HA3 0.301 4.260 3.960 -0.002 0.000 0.208 388 G C 0.291 175.182 174.900 -0.015 0.000 1.159 388 G CA 0.025 45.113 45.100 -0.019 0.000 0.784 388 G HN 0.564 nan 8.290 nan 0.000 0.535 389 M N 0.000 119.591 119.600 -0.015 0.000 2.572 389 M HA 0.000 4.479 4.480 -0.002 0.000 0.227 389 M CA 0.000 55.294 55.300 -0.010 0.000 0.988 389 M CB 0.000 32.592 32.600 -0.013 0.000 1.302 389 M HN 0.000 nan 8.290 nan 0.000 0.411