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 3eai_1_B DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSDFTCKS KSCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIWQ N 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 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.175 176.000 0.291 0.000 1.003 77 Q CA 0.000 55.830 55.803 0.044 0.000 1.022 77 Q CB 0.000 28.740 28.738 0.003 0.000 1.108 78 Y N -2.551 117.864 120.300 0.191 0.000 2.581 78 Y HA 0.861 5.411 4.550 0.000 0.000 0.337 78 Y C -0.796 175.171 175.900 0.111 0.000 1.108 78 Y CA -2.198 56.020 58.100 0.197 0.000 1.033 78 Y CB 0.986 39.525 38.460 0.132 0.000 1.318 78 Y HN 0.115 nan 8.280 nan 0.000 0.459 79 V N 3.463 123.548 119.914 0.285 0.000 2.439 79 V HA 0.454 4.574 4.120 0.000 0.000 0.282 79 V C 0.126 176.410 176.094 0.316 0.000 1.039 79 V CA -0.742 61.628 62.300 0.117 0.000 0.913 79 V CB 1.170 32.878 31.823 -0.192 0.000 0.983 79 V HN 0.806 nan 8.190 nan 0.000 0.460 80 R N 4.550 125.232 120.500 0.304 0.000 2.298 80 R HA 0.410 4.750 4.340 0.000 0.000 0.310 80 R C -0.925 175.431 176.300 0.095 0.000 1.068 80 R CA -0.268 56.003 56.100 0.284 0.000 0.957 80 R CB 0.370 30.842 30.300 0.286 0.000 1.003 80 R HN 0.511 nan 8.270 nan 0.000 0.454 81 I N 4.182 124.749 120.570 -0.005 0.000 2.433 81 I HA 0.328 4.498 4.170 0.000 0.000 0.292 81 I C -0.346 175.682 176.117 -0.150 0.000 1.001 81 I CA -0.567 60.697 61.300 -0.061 0.000 1.119 81 I CB 1.750 39.692 38.000 -0.096 0.000 1.289 81 I HN 0.634 nan 8.210 nan 0.000 0.438 82 K N 5.077 125.400 120.400 -0.129 0.000 2.318 82 K HA 0.370 4.690 4.320 0.000 0.000 0.249 82 K C -0.630 175.822 176.600 -0.247 0.000 0.942 82 K CA -0.627 55.489 56.287 -0.286 0.000 0.808 82 K CB 1.735 33.925 32.500 -0.517 0.000 1.189 82 K HN 0.518 nan 8.250 nan 0.000 0.428 83 N N 4.076 122.615 118.700 -0.269 0.000 2.501 83 N HA 0.101 4.841 4.740 0.000 0.000 0.245 83 N C -0.413 175.015 175.510 -0.137 0.000 0.974 83 N CA -0.374 52.630 53.050 -0.077 0.000 0.941 83 N CB 0.412 38.879 38.487 -0.033 0.000 1.122 83 N HN 0.654 nan 8.380 nan 0.000 0.507 84 W N 2.347 123.718 121.300 0.119 0.000 2.848 84 W HA 0.185 4.845 4.660 0.000 0.000 0.241 84 W C 1.924 178.490 176.519 0.079 0.000 1.289 84 W CA -0.019 57.392 57.345 0.111 0.000 1.396 84 W CB 0.197 29.752 29.460 0.158 0.000 1.138 84 W HN 0.638 nan 8.180 nan 0.000 0.677 85 G N -0.659 108.258 108.800 0.195 0.000 2.490 85 G HA2 -0.118 3.843 3.960 0.000 0.000 0.211 85 G HA3 -0.118 3.843 3.960 0.000 0.000 0.211 85 G C 1.442 176.349 174.900 0.011 0.000 1.159 85 G CA 0.978 46.103 45.100 0.041 0.000 0.819 85 G HN 0.249 nan 8.290 nan 0.000 0.539 86 S N -1.346 114.352 115.700 -0.003 0.000 2.540 86 S HA 0.395 4.866 4.470 0.000 0.000 0.222 86 S C 1.791 176.346 174.600 -0.075 0.000 1.008 86 S CA 1.040 59.219 58.200 -0.035 0.000 0.939 86 S CB 0.508 63.686 63.200 -0.036 0.000 0.865 86 S HN 1.453 nan 8.310 nan 0.000 0.499 87 G N 1.599 110.325 108.800 -0.123 0.000 2.189 87 G HA2 -0.341 3.619 3.960 0.000 0.000 0.267 87 G HA3 -0.341 3.619 3.960 0.000 0.000 0.267 87 G C -0.126 174.646 174.900 -0.214 0.000 0.975 87 G CA 0.498 45.474 45.100 -0.205 0.000 0.644 87 G HN 0.743 nan 8.290 nan 0.000 0.537 88 E N 0.402 120.496 120.200 -0.176 0.000 2.413 88 E HA 0.350 4.700 4.350 0.000 0.000 0.263 88 E C 0.292 176.749 176.600 -0.239 0.000 1.015 88 E CA -0.354 55.938 56.400 -0.179 0.000 0.916 88 E CB 0.198 29.811 29.700 -0.145 0.000 0.947 88 E HN 0.203 nan 8.360 nan 0.000 0.440 89 I N 5.021 125.437 120.570 -0.256 0.000 2.493 89 I HA 0.396 4.566 4.170 0.000 0.000 0.298 89 I C -0.042 175.807 176.117 -0.447 0.000 0.998 89 I CA -0.683 60.421 61.300 -0.326 0.000 1.137 89 I CB 1.153 38.978 38.000 -0.291 0.000 1.310 89 I HN 0.558 nan 8.210 nan 0.000 0.445 90 L N 4.667 125.580 121.223 -0.517 0.000 2.371 90 L HA 0.481 4.821 4.340 0.000 0.000 0.262 90 L C -0.929 175.614 176.870 -0.544 0.000 1.006 90 L CA -0.796 53.682 54.840 -0.602 0.000 0.818 90 L CB 2.587 44.187 42.059 -0.765 0.000 1.354 90 L HN 0.462 nan 8.230 nan 0.000 0.415 91 H N 1.154 120.136 119.070 -0.147 0.000 2.587 91 H HA 0.252 4.808 4.556 0.000 0.000 0.325 91 H C -1.223 174.219 175.328 0.190 0.000 1.012 91 H CA -0.659 55.311 56.048 -0.129 0.000 1.213 91 H CB 2.035 31.419 29.762 -0.631 0.000 1.431 91 H HN 0.455 nan 8.280 nan 0.000 0.492 92 D N 2.241 122.886 120.400 0.408 0.000 2.280 92 D HA 0.073 4.713 4.640 0.000 0.000 0.243 92 D C 0.792 177.296 176.300 0.340 0.000 1.129 92 D CA -0.115 54.126 54.000 0.401 0.000 0.848 92 D CB 1.372 42.370 40.800 0.329 0.000 1.107 92 D HN 0.667 nan 8.370 nan 0.000 0.471 93 T N 0.967 115.661 114.554 0.234 0.000 2.954 93 T HA -0.043 4.307 4.350 0.000 0.000 0.252 93 T C 1.858 176.535 174.700 -0.037 0.000 0.983 93 T CA -0.239 61.964 62.100 0.171 0.000 0.941 93 T CB -0.037 68.958 68.868 0.213 0.000 1.141 93 T HN 0.239 nan 8.240 nan 0.000 0.500 94 L N 3.344 124.548 121.223 -0.031 0.000 2.127 94 L HA -0.115 4.225 4.340 0.000 0.000 0.211 94 L C 2.541 179.241 176.870 -0.284 0.000 1.089 94 L CA 2.062 56.850 54.840 -0.086 0.000 0.757 94 L CB -0.971 41.077 42.059 -0.018 0.000 0.899 94 L HN 0.613 nan 8.230 nan 0.000 0.434 95 H N -2.384 116.266 119.070 -0.699 0.000 2.518 95 H HA -0.193 4.363 4.556 0.000 0.000 0.292 95 H C 1.663 176.634 175.328 -0.595 0.000 1.068 95 H CA 1.889 57.207 56.048 -1.216 0.000 1.275 95 H CB -1.038 27.996 29.762 -1.213 0.000 1.375 95 H HN 0.597 nan 8.280 nan 0.000 0.563 96 H N 0.607 119.192 119.070 -0.807 0.000 2.462 96 H HA 0.046 4.602 4.556 0.000 0.000 0.292 96 H C 1.637 176.807 175.328 -0.264 0.000 1.049 96 H CA 0.646 56.373 56.048 -0.534 0.000 1.334 96 H CB 0.440 29.946 29.762 -0.427 0.000 1.404 96 H HN 0.115 nan 8.280 nan 0.000 0.544 97 K N 0.748 121.087 120.400 -0.100 0.000 2.487 97 K HA 0.167 4.487 4.320 0.000 0.000 0.192 97 K C 1.112 177.703 176.600 -0.014 0.000 1.027 97 K CA 0.257 56.526 56.287 -0.029 0.000 1.054 97 K CB 0.306 32.804 32.500 -0.003 0.000 0.824 97 K HN 0.203 nan 8.250 nan 0.000 0.510 98 A N 1.456 124.239 122.820 -0.061 0.000 2.233 98 A HA -0.006 4.314 4.320 0.000 0.000 0.230 98 A C 1.446 179.032 177.584 0.004 0.000 1.347 98 A CA 0.438 52.468 52.037 -0.012 0.000 1.087 98 A CB -0.934 18.036 19.000 -0.050 0.000 0.871 98 A HN 0.222 nan 8.150 nan 0.000 0.519 99 T N 0.987 115.553 114.554 0.020 0.000 2.780 99 T HA -0.307 4.043 4.350 0.000 0.000 0.255 99 T C 1.524 176.256 174.700 0.054 0.000 1.065 99 T CA 1.985 64.113 62.100 0.047 0.000 1.155 99 T CB -0.897 68.022 68.868 0.085 0.000 0.837 99 T HN 0.979 nan 8.240 nan 0.000 0.479 100 S N 1.203 116.927 115.700 0.040 0.000 2.612 100 S HA 0.268 4.738 4.470 0.000 0.000 0.253 100 S C -0.020 174.616 174.600 0.060 0.000 1.346 100 S CA -0.814 57.411 58.200 0.042 0.000 0.976 100 S CB 0.604 63.807 63.200 0.006 0.000 0.949 100 S HN 0.443 nan 8.310 nan 0.000 0.584 101 D N -1.466 118.984 120.400 0.083 0.000 2.539 101 D HA 0.714 5.354 4.640 0.000 0.000 0.276 101 D C -0.875 175.566 176.300 0.234 0.000 1.206 101 D CA -0.440 53.635 54.000 0.124 0.000 1.081 101 D CB 0.708 41.564 40.800 0.093 0.000 1.142 101 D HN 0.377 nan 8.370 nan 0.000 0.595 102 F N -1.089 118.871 119.950 0.017 0.000 2.923 102 F HA 0.338 4.865 4.527 0.000 0.000 0.323 102 F C 0.319 176.137 175.800 0.030 0.000 1.189 102 F CA -0.292 57.719 58.000 0.019 0.000 0.930 102 F CB 0.737 39.758 39.000 0.035 0.000 1.414 102 F HN 0.444 nan 8.300 nan 0.000 0.496 103 T N -0.664 113.356 114.554 -0.891 0.000 3.092 103 T HA 0.411 4.761 4.350 0.000 0.000 0.374 103 T C 0.323 174.874 174.700 -0.248 0.000 1.190 103 T CA 0.417 62.185 62.100 -0.552 0.000 1.021 103 T CB -0.239 68.214 68.868 -0.692 0.000 1.556 103 T HN 1.201 nan 8.240 nan 0.000 0.540 104 C N 0.087 119.290 119.300 -0.161 0.000 0.168 104 C HA -0.038 4.422 4.460 0.000 0.000 0.017 104 C C 0.736 175.723 174.990 -0.006 0.000 0.171 104 C CA -0.122 58.872 59.018 -0.040 0.000 0.499 104 C CB -1.765 25.994 27.740 0.030 0.000 3.212 104 C HN 1.102 nan 8.230 nan 0.000 1.118 105 K N 0.301 120.708 120.400 0.011 0.000 1.950 105 K HA 0.587 4.907 4.320 0.000 0.000 0.259 105 K C 1.150 177.766 176.600 0.028 0.000 1.013 105 K CA 0.151 56.448 56.287 0.017 0.000 1.147 105 K CB 0.426 32.932 32.500 0.009 0.000 2.115 105 K HN 0.810 nan 8.250 nan 0.000 0.877 106 S N -0.086 115.628 115.700 0.023 0.000 2.492 106 S HA 0.109 4.579 4.470 0.000 0.000 0.218 106 S C 0.974 175.585 174.600 0.019 0.000 1.016 106 S CA 0.231 58.445 58.200 0.024 0.000 0.916 106 S CB 0.064 63.277 63.200 0.020 0.000 0.791 106 S HN 0.385 nan 8.310 nan 0.000 0.513 107 K N 0.404 120.813 120.400 0.015 0.000 2.517 107 K HA 0.350 4.670 4.320 0.000 0.000 0.210 107 K C -0.313 176.293 176.600 0.011 0.000 1.166 107 K CA 0.015 56.309 56.287 0.012 0.000 1.030 107 K CB 1.382 33.888 32.500 0.010 0.000 0.974 107 K HN 0.174 nan 8.250 nan 0.000 0.585 108 S N 0.670 116.377 115.700 0.011 0.000 2.677 108 S HA 0.283 4.753 4.470 0.000 0.000 0.283 108 S C -1.372 173.234 174.600 0.010 0.000 1.159 108 S CA -0.715 57.491 58.200 0.009 0.000 1.001 108 S CB 1.097 64.301 63.200 0.006 0.000 1.032 108 S HN 0.296 nan 8.310 nan 0.000 0.487 109 C N 6.359 125.666 119.300 0.012 0.000 2.347 109 C HA 0.641 5.101 4.460 0.000 0.000 0.353 109 C C 0.399 175.395 174.990 0.009 0.000 1.273 109 C CA -0.544 58.483 59.018 0.016 0.000 1.861 109 C CB -1.157 26.597 27.740 0.025 0.000 2.420 109 C HN 0.869 nan 8.230 nan 0.000 0.542 110 L N 6.346 127.565 121.223 -0.007 0.000 2.984 110 L HA 0.327 4.668 4.340 0.000 0.000 0.246 110 L C 2.062 178.932 176.870 0.000 0.000 1.268 110 L CA 0.606 55.439 54.840 -0.011 0.000 1.054 110 L CB -0.324 41.711 42.059 -0.041 0.000 1.393 110 L HN 1.003 nan 8.230 nan 0.000 0.532 111 G N 0.082 108.902 108.800 0.033 0.000 2.475 111 G HA2 -0.314 3.646 3.960 0.000 0.000 0.220 111 G HA3 -0.314 3.646 3.960 0.000 0.000 0.220 111 G C 1.581 176.553 174.900 0.120 0.000 1.125 111 G CA 1.278 46.428 45.100 0.083 0.000 0.755 111 G HN 0.542 nan 8.290 nan 0.000 0.565 112 S N -0.231 115.533 115.700 0.107 0.000 2.593 112 S HA 0.307 4.777 4.470 0.000 0.000 0.217 112 S C 0.848 175.532 174.600 0.141 0.000 0.966 112 S CA -0.554 57.731 58.200 0.142 0.000 0.914 112 S CB 0.059 63.327 63.200 0.114 0.000 0.776 112 S HN 0.074 nan 8.310 nan 0.000 0.523 113 I N 2.591 123.221 120.570 0.100 0.000 2.598 113 I HA 0.115 4.285 4.170 0.000 0.000 0.284 113 I C 1.616 177.818 176.117 0.141 0.000 1.140 113 I CA 0.199 61.553 61.300 0.090 0.000 1.420 113 I CB 0.044 38.068 38.000 0.040 0.000 1.387 113 I HN 0.331 nan 8.210 nan 0.000 0.553 114 M N 4.757 124.454 119.600 0.163 0.000 2.123 114 M HA -0.079 4.401 4.480 0.000 0.000 0.263 114 M C 0.257 176.657 176.300 0.168 0.000 1.069 114 M CA 1.497 56.937 55.300 0.233 0.000 1.133 114 M CB -0.095 32.635 32.600 0.217 0.000 1.356 114 M HN 0.515 nan 8.290 nan 0.000 0.415 115 N N 1.198 119.945 118.700 0.077 0.000 2.918 115 N HA 0.318 5.058 4.740 0.000 0.000 0.270 115 N C -2.473 173.083 175.510 0.077 0.000 1.536 115 N CA -0.754 52.324 53.050 0.046 0.000 0.877 115 N CB 0.484 38.904 38.487 -0.111 0.000 1.190 115 N HN 0.232 nan 8.380 nan 0.000 0.492 116 P HA 0.218 nan 4.420 nan 0.000 0.274 116 P C 0.624 177.961 177.300 0.061 0.000 1.256 116 P CA -0.349 62.769 63.100 0.030 0.000 0.795 116 P CB 2.067 33.737 31.700 -0.050 0.000 1.038 117 K N 0.150 120.565 120.400 0.025 0.000 2.097 117 K HA -0.085 4.235 4.320 0.000 0.000 0.205 117 K C 2.149 178.785 176.600 0.061 0.000 1.050 117 K CA 1.839 58.150 56.287 0.039 0.000 0.938 117 K CB -0.417 32.090 32.500 0.012 0.000 0.718 117 K HN 0.547 nan 8.250 nan 0.000 0.442 118 S N 0.994 116.711 115.700 0.028 0.000 2.465 118 S HA -0.104 4.366 4.470 0.000 0.000 0.241 118 S C 1.596 176.304 174.600 0.180 0.000 1.000 118 S CA 0.933 59.171 58.200 0.063 0.000 0.964 118 S CB -0.303 62.882 63.200 -0.025 0.000 0.763 118 S HN 0.231 nan 8.310 nan 0.000 0.512 119 L N 1.044 122.388 121.223 0.201 0.000 2.667 119 L HA 0.294 4.634 4.340 0.000 0.000 0.232 119 L C -0.139 177.001 176.870 0.450 0.000 1.138 119 L CA -0.098 54.925 54.840 0.305 0.000 0.921 119 L CB 0.131 42.299 42.059 0.181 0.000 1.180 119 L HN 0.191 nan 8.230 nan 0.000 0.487 120 T N -0.061 114.698 114.554 0.342 0.000 2.807 120 T HA 0.430 4.780 4.350 0.000 0.000 0.279 120 T C -0.445 174.285 174.700 0.051 0.000 0.993 120 T CA -0.479 61.776 62.100 0.259 0.000 0.970 120 T CB 2.284 71.254 68.868 0.170 0.000 0.950 120 T HN -0.092 nan 8.240 nan 0.000 0.441 121 R N 2.070 122.557 120.500 -0.022 0.000 2.310 121 R HA 0.594 4.934 4.340 0.000 0.000 0.316 121 R C 0.499 176.752 176.300 -0.079 0.000 1.004 121 R CA -0.466 55.508 56.100 -0.210 0.000 0.900 121 R CB 0.128 30.181 30.300 -0.413 0.000 1.152 121 R HN 0.829 nan 8.270 nan 0.000 0.513 122 G N 3.715 112.471 108.800 -0.073 0.000 2.611 122 G HA2 0.311 4.271 3.960 0.000 0.000 0.273 122 G HA3 0.311 4.271 3.960 0.000 0.000 0.273 122 G C -1.984 172.885 174.900 -0.052 0.000 1.305 122 G CA -0.862 44.206 45.100 -0.054 0.000 1.010 122 G HN 0.588 nan 8.290 nan 0.000 0.509 123 P HA 0.390 nan 4.420 nan 0.000 0.279 123 P C -0.594 176.689 177.300 -0.028 0.000 1.282 123 P CA -0.347 62.731 63.100 -0.037 0.000 0.788 123 P CB 1.245 32.920 31.700 -0.042 0.000 1.139 124 R N -1.150 119.339 120.500 -0.018 0.000 2.810 124 R HA 0.359 4.699 4.340 0.000 0.000 0.266 124 R C -0.594 175.703 176.300 -0.004 0.000 1.061 124 R CA -0.485 55.609 56.100 -0.011 0.000 0.943 124 R CB 1.049 31.345 30.300 -0.006 0.000 1.237 124 R HN 0.452 nan 8.270 nan 0.000 0.459 125 D N -0.596 119.805 120.400 0.001 0.000 2.523 125 D HA 0.163 4.803 4.640 0.000 0.000 0.269 125 D C -0.617 175.693 176.300 0.016 0.000 1.374 125 D CA -0.216 53.787 54.000 0.005 0.000 0.820 125 D CB 0.574 41.372 40.800 -0.003 0.000 1.211 125 D HN 0.276 nan 8.370 nan 0.000 0.502 126 K N 0.308 120.719 120.400 0.017 0.000 2.546 126 K HA 0.486 4.806 4.320 0.000 0.000 0.264 126 K C -3.028 173.585 176.600 0.021 0.000 0.937 126 K CA -1.702 54.598 56.287 0.022 0.000 0.833 126 K CB 2.407 34.916 32.500 0.016 0.000 1.378 126 K HN -0.237 nan 8.250 nan 0.000 0.432 127 P HA -0.032 nan 4.420 nan 0.000 0.270 127 P C -0.649 176.664 177.300 0.021 0.000 1.221 127 P CA -0.007 63.106 63.100 0.022 0.000 0.788 127 P CB 0.335 32.050 31.700 0.025 0.000 0.904 128 T N 3.425 117.994 114.554 0.024 0.000 2.799 128 T HA 0.183 4.533 4.350 0.000 0.000 0.296 128 T C -2.093 172.628 174.700 0.035 0.000 0.947 128 T CA -0.750 61.368 62.100 0.031 0.000 1.141 128 T CB -0.463 68.432 68.868 0.045 0.000 0.891 128 T HN 0.293 nan 8.240 nan 0.000 0.533 129 P HA -0.045 nan 4.420 nan 0.000 0.263 129 P C 1.082 178.393 177.300 0.018 0.000 1.168 129 P CA -0.284 62.828 63.100 0.019 0.000 0.759 129 P CB 0.407 32.115 31.700 0.013 0.000 0.782 130 L N 4.782 126.011 121.223 0.011 0.000 2.043 130 L HA -0.206 4.134 4.340 0.000 0.000 0.212 130 L C 1.935 178.795 176.870 -0.016 0.000 1.075 130 L CA 2.304 57.146 54.840 0.003 0.000 0.752 130 L CB -1.231 40.827 42.059 -0.002 0.000 0.891 130 L HN 0.525 nan 8.230 nan 0.000 0.432 131 E N -0.937 119.251 120.200 -0.020 0.000 2.130 131 E HA -0.291 4.059 4.350 0.000 0.000 0.196 131 E C 1.941 178.502 176.600 -0.065 0.000 0.998 131 E CA 1.662 58.039 56.400 -0.038 0.000 0.806 131 E CB -0.369 29.315 29.700 -0.028 0.000 0.738 131 E HN 0.647 nan 8.360 nan 0.000 0.459 132 E N 0.254 120.428 120.200 -0.042 0.000 2.042 132 E HA -0.109 4.241 4.350 0.000 0.000 0.189 132 E C 2.064 178.631 176.600 -0.055 0.000 0.974 132 E CA 0.363 56.729 56.400 -0.056 0.000 0.806 132 E CB 0.036 29.756 29.700 0.034 0.000 0.769 132 E HN 0.226 nan 8.360 nan 0.000 0.451 133 L N 1.183 122.429 121.223 0.038 0.000 1.976 133 L HA -0.163 4.178 4.340 0.000 0.000 0.209 133 L C 2.333 179.229 176.870 0.042 0.000 1.071 133 L CA 1.498 56.398 54.840 0.100 0.000 0.746 133 L CB -0.868 41.253 42.059 0.103 0.000 0.890 133 L HN 0.268 nan 8.230 nan 0.000 0.432 134 L N 0.133 121.340 121.223 -0.026 0.000 2.013 134 L HA -0.150 4.190 4.340 0.000 0.000 0.212 134 L C -0.500 176.330 176.870 -0.067 0.000 1.073 134 L CA 2.266 57.066 54.840 -0.067 0.000 0.753 134 L CB -1.844 40.175 42.059 -0.067 0.000 0.890 134 L HN 0.214 nan 8.230 nan 0.000 0.432 135 P HA -0.131 nan 4.420 nan 0.000 0.217 135 P C 1.239 178.514 177.300 -0.042 0.000 1.150 135 P CA 1.483 64.510 63.100 -0.121 0.000 0.832 135 P CB -0.189 31.377 31.700 -0.223 0.000 0.787 136 H N -0.632 118.475 119.070 0.061 0.000 2.389 136 H HA 0.080 4.636 4.556 0.000 0.000 0.299 136 H C 1.981 177.403 175.328 0.157 0.000 1.081 136 H CA 1.423 57.535 56.048 0.106 0.000 1.345 136 H CB -0.997 28.828 29.762 0.106 0.000 1.393 136 H HN 0.042 nan 8.280 nan 0.000 0.520 137 A N 1.245 124.200 122.820 0.225 0.000 1.877 137 A HA -0.125 4.195 4.320 0.000 0.000 0.216 137 A C 2.652 180.332 177.584 0.160 0.000 1.186 137 A CA 1.399 53.533 52.037 0.162 0.000 0.620 137 A CB -0.872 17.963 19.000 -0.275 0.000 0.822 137 A HN 0.300 nan 8.150 nan 0.000 0.443 138 I N -0.611 120.002 120.570 0.072 0.000 2.264 138 I HA -0.242 3.928 4.170 0.000 0.000 0.248 138 I C 2.644 178.836 176.117 0.125 0.000 1.111 138 I CA 1.544 62.886 61.300 0.071 0.000 1.382 138 I CB -0.326 37.688 38.000 0.022 0.000 1.060 138 I HN 0.404 nan 8.210 nan 0.000 0.418 139 E N 1.019 121.316 120.200 0.162 0.000 2.051 139 E HA -0.254 4.096 4.350 0.000 0.000 0.192 139 E C 2.144 178.873 176.600 0.214 0.000 0.991 139 E CA 1.526 58.031 56.400 0.175 0.000 0.799 139 E CB -0.216 29.607 29.700 0.205 0.000 0.748 139 E HN 0.419 nan 8.360 nan 0.000 0.449 140 F N 1.666 121.715 119.950 0.165 0.000 2.102 140 F HA -0.218 4.309 4.527 0.000 0.000 0.298 140 F C 2.154 178.064 175.800 0.182 0.000 1.105 140 F CA 1.107 59.226 58.000 0.197 0.000 1.239 140 F CB -0.358 38.779 39.000 0.229 0.000 0.991 140 F HN -0.029 nan 8.300 nan 0.000 0.474 141 I N 1.040 121.604 120.570 -0.009 0.000 2.151 141 I HA -0.347 3.823 4.170 0.000 0.000 0.243 141 I C 2.141 178.196 176.117 -0.103 0.000 1.080 141 I CA 1.441 62.701 61.300 -0.068 0.000 1.339 141 I CB -1.676 36.408 38.000 0.140 0.000 1.039 141 I HN 0.274 nan 8.210 nan 0.000 0.409 142 N N 0.612 119.304 118.700 -0.013 0.000 2.166 142 N HA -0.227 4.513 4.740 0.000 0.000 0.186 142 N C 1.870 177.274 175.510 -0.176 0.000 1.019 142 N CA 1.063 54.094 53.050 -0.032 0.000 0.856 142 N CB -0.297 38.259 38.487 0.115 0.000 0.993 142 N HN 0.539 nan 8.380 nan 0.000 0.426 143 Q N -0.197 119.522 119.800 -0.134 0.000 2.079 143 Q HA -0.180 4.160 4.340 0.000 0.000 0.200 143 Q C 2.019 177.821 176.000 -0.330 0.000 0.974 143 Q CA 1.146 56.889 55.803 -0.100 0.000 0.840 143 Q CB -0.145 28.647 28.738 0.089 0.000 0.898 143 Q HN 0.480 nan 8.270 nan 0.000 0.430 144 Y N -0.441 119.359 120.300 -0.834 0.000 2.114 144 Y HA -0.284 4.266 4.550 0.000 0.000 0.284 144 Y C 1.529 176.591 175.900 -1.398 0.000 1.143 144 Y CA 1.888 59.122 58.100 -1.444 0.000 1.135 144 Y CB -0.324 37.256 38.460 -1.467 0.000 0.980 144 Y HN 0.157 nan 8.280 nan 0.000 0.499 145 Y N 0.053 119.578 120.300 -1.293 0.000 2.352 145 Y HA -0.021 4.529 4.550 0.000 0.000 0.292 145 Y C 2.557 177.766 175.900 -1.151 0.000 1.136 145 Y CA 1.255 58.340 58.100 -1.692 0.000 1.227 145 Y CB -0.727 36.836 38.460 -1.495 0.000 0.991 145 Y HN 0.257 nan 8.280 nan 0.000 0.545 146 G N -1.415 107.028 108.800 -0.596 0.000 2.598 146 G HA2 -0.167 3.793 3.960 0.000 0.000 0.215 146 G HA3 -0.167 3.793 3.960 0.000 0.000 0.215 146 G C 1.624 176.387 174.900 -0.228 0.000 1.131 146 G CA 0.918 45.843 45.100 -0.291 0.000 0.785 146 G HN 0.450 nan 8.290 nan 0.000 0.539 147 S N -0.339 115.152 115.700 -0.348 0.000 2.528 147 S HA 0.275 4.745 4.470 0.000 0.000 0.219 147 S C 0.733 175.358 174.600 0.042 0.000 0.985 147 S CA -0.725 57.415 58.200 -0.101 0.000 0.914 147 S CB -0.350 62.841 63.200 -0.015 0.000 0.776 147 S HN 0.228 nan 8.310 nan 0.000 0.526 148 F N 2.756 122.528 119.950 -0.297 0.000 2.578 148 F HA 0.162 4.689 4.527 0.000 0.000 0.376 148 F C 1.850 177.580 175.800 -0.116 0.000 1.085 148 F CA -0.585 57.276 58.000 -0.231 0.000 1.260 148 F CB 0.677 39.534 39.000 -0.238 0.000 1.095 148 F HN 0.174 nan 8.300 nan 0.000 0.573 149 K N 1.811 122.257 120.400 0.075 0.000 2.147 149 K HA -0.154 4.166 4.320 0.000 0.000 0.205 149 K C 0.136 176.760 176.600 0.040 0.000 1.049 149 K CA 1.317 57.625 56.287 0.036 0.000 0.936 149 K CB 0.165 32.664 32.500 -0.002 0.000 0.722 149 K HN 0.486 nan 8.250 nan 0.000 0.446 150 E N 0.363 120.591 120.200 0.048 0.000 2.207 150 E HA 0.328 4.678 4.350 0.000 0.000 0.250 150 E C -1.406 175.268 176.600 0.123 0.000 0.890 150 E CA -0.326 56.105 56.400 0.051 0.000 0.749 150 E CB 1.457 31.162 29.700 0.008 0.000 1.193 150 E HN 0.364 nan 8.360 nan 0.000 0.423 151 A N 4.154 127.047 122.820 0.122 0.000 2.577 151 A HA 0.113 4.433 4.320 0.000 0.000 0.233 151 A C -0.146 177.547 177.584 0.181 0.000 1.076 151 A CA 0.479 52.609 52.037 0.154 0.000 0.767 151 A CB 0.263 19.316 19.000 0.088 0.000 1.017 151 A HN 0.588 nan 8.150 nan 0.000 0.511 152 K N 2.411 122.950 120.400 0.233 0.000 3.050 152 K HA 0.201 4.521 4.320 0.000 0.000 0.185 152 K C 0.136 176.816 176.600 0.134 0.000 1.147 152 K CA -0.636 55.778 56.287 0.211 0.000 0.916 152 K CB 0.579 33.289 32.500 0.351 0.000 1.119 152 K HN 0.542 nan 8.250 nan 0.000 0.605 153 I N 1.128 121.740 120.570 0.070 0.000 2.185 153 I HA -0.317 3.853 4.170 0.000 0.000 0.246 153 I C 1.979 178.061 176.117 -0.058 0.000 1.088 153 I CA 1.810 63.107 61.300 -0.004 0.000 1.347 153 I CB -0.591 37.391 38.000 -0.031 0.000 1.041 153 I HN 0.564 nan 8.210 nan 0.000 0.415 154 E N 0.764 120.950 120.200 -0.023 0.000 2.023 154 E HA -0.246 4.104 4.350 0.000 0.000 0.196 154 E C 2.100 178.670 176.600 -0.051 0.000 1.003 154 E CA 1.575 57.955 56.400 -0.034 0.000 0.809 154 E CB -0.186 29.513 29.700 -0.001 0.000 0.755 154 E HN 0.567 nan 8.360 nan 0.000 0.449 155 E N -0.361 119.836 120.200 -0.005 0.000 2.160 155 E HA -0.226 4.124 4.350 0.000 0.000 0.195 155 E C 2.047 178.472 176.600 -0.292 0.000 0.991 155 E CA 0.955 57.356 56.400 0.002 0.000 0.810 155 E CB -0.215 29.617 29.700 0.220 0.000 0.742 155 E HN 0.421 nan 8.360 nan 0.000 0.466 156 H N 0.751 119.388 119.070 -0.722 0.000 2.293 156 H HA -0.087 4.469 4.556 0.000 0.000 0.300 156 H C 2.212 177.196 175.328 -0.574 0.000 1.082 156 H CA 1.143 56.447 56.048 -1.241 0.000 1.308 156 H CB 0.083 29.355 29.762 -0.816 0.000 1.375 156 H HN 0.061 nan 8.280 nan 0.000 0.495 157 L N 0.350 121.399 121.223 -0.291 0.000 2.046 157 L HA -0.161 4.179 4.340 0.000 0.000 0.208 157 L C 3.072 179.860 176.870 -0.137 0.000 1.077 157 L CA 0.918 55.611 54.840 -0.244 0.000 0.747 157 L CB -0.626 41.312 42.059 -0.201 0.000 0.896 157 L HN 0.403 nan 8.230 nan 0.000 0.432 158 A N 0.209 122.967 122.820 -0.104 0.000 1.902 158 A HA -0.257 4.063 4.320 0.000 0.000 0.217 158 A C 2.374 179.944 177.584 -0.023 0.000 1.181 158 A CA 1.915 53.923 52.037 -0.048 0.000 0.623 158 A CB -0.495 18.494 19.000 -0.018 0.000 0.818 158 A HN 0.273 nan 8.150 nan 0.000 0.443 159 R N 0.055 120.538 120.500 -0.029 0.000 2.073 159 R HA -0.020 4.320 4.340 0.000 0.000 0.234 159 R C 1.934 178.256 176.300 0.037 0.000 1.134 159 R CA 1.652 57.781 56.100 0.048 0.000 0.952 159 R CB -1.010 29.369 30.300 0.131 0.000 0.850 159 R HN 0.528 nan 8.270 nan 0.000 0.433 160 L N 0.250 121.474 121.223 0.002 0.000 1.990 160 L HA -0.229 4.111 4.340 0.000 0.000 0.213 160 L C 2.592 179.446 176.870 -0.027 0.000 1.072 160 L CA 2.239 57.077 54.840 -0.003 0.000 0.755 160 L CB -0.635 41.397 42.059 -0.044 0.000 0.889 160 L HN 0.411 nan 8.230 nan 0.000 0.432 161 E N -0.003 120.174 120.200 -0.038 0.000 2.058 161 E HA -0.266 4.084 4.350 0.000 0.000 0.194 161 E C 2.168 178.758 176.600 -0.018 0.000 0.997 161 E CA 1.271 57.650 56.400 -0.034 0.000 0.801 161 E CB -0.038 29.641 29.700 -0.036 0.000 0.746 161 E HN 0.461 nan 8.360 nan 0.000 0.450 162 A N 0.542 123.362 122.820 -0.000 0.000 1.865 162 A HA -0.185 4.135 4.320 0.000 0.000 0.217 162 A C 2.455 180.048 177.584 0.015 0.000 1.191 162 A CA 1.814 53.862 52.037 0.019 0.000 0.623 162 A CB -0.927 18.100 19.000 0.045 0.000 0.826 162 A HN 0.245 nan 8.150 nan 0.000 0.444 163 V N -0.172 119.745 119.914 0.006 0.000 2.407 163 V HA -0.230 3.890 4.120 0.000 0.000 0.248 163 V C 2.739 178.758 176.094 -0.124 0.000 1.055 163 V CA 2.435 64.698 62.300 -0.062 0.000 1.049 163 V CB -1.275 30.470 31.823 -0.130 0.000 0.662 163 V HN 0.643 nan 8.190 nan 0.000 0.455 164 T N -0.236 114.265 114.554 -0.089 0.000 2.708 164 T HA -0.223 4.128 4.350 0.000 0.000 0.266 164 T C 1.935 176.603 174.700 -0.052 0.000 1.037 164 T CA 1.631 63.683 62.100 -0.081 0.000 1.146 164 T CB -0.218 68.615 68.868 -0.059 0.000 0.865 164 T HN 0.488 nan 8.240 nan 0.000 0.435 165 K N 0.774 121.156 120.400 -0.029 0.000 2.057 165 K HA -0.093 4.227 4.320 0.000 0.000 0.207 165 K C 2.449 179.050 176.600 0.000 0.000 1.049 165 K CA 1.178 57.458 56.287 -0.012 0.000 0.931 165 K CB -0.145 32.353 32.500 -0.003 0.000 0.714 165 K HN 0.431 nan 8.250 nan 0.000 0.440 166 E N 1.148 121.355 120.200 0.011 0.000 2.051 166 E HA -0.192 4.159 4.350 0.000 0.000 0.192 166 E C 2.002 178.626 176.600 0.040 0.000 0.991 166 E CA 1.050 57.474 56.400 0.041 0.000 0.799 166 E CB -0.001 29.750 29.700 0.084 0.000 0.748 166 E HN 0.231 nan 8.360 nan 0.000 0.449 167 I N 0.974 121.548 120.570 0.006 0.000 2.142 167 I HA -0.276 3.894 4.170 0.000 0.000 0.240 167 I C 2.279 178.401 176.117 0.008 0.000 1.078 167 I CA 1.429 62.733 61.300 0.007 0.000 1.343 167 I CB -0.311 37.645 38.000 -0.073 0.000 1.046 167 I HN 0.148 nan 8.210 nan 0.000 0.405 168 E N 0.216 120.411 120.200 -0.009 0.000 2.110 168 E HA -0.219 4.132 4.350 0.000 0.000 0.193 168 E C 2.144 178.746 176.600 0.005 0.000 0.988 168 E CA 2.024 58.421 56.400 -0.005 0.000 0.804 168 E CB -0.180 29.512 29.700 -0.013 0.000 0.745 168 E HN 0.644 nan 8.360 nan 0.000 0.458 169 T N -2.242 112.318 114.554 0.010 0.000 2.976 169 T HA 0.007 4.357 4.350 0.000 0.000 0.257 169 T C 2.059 176.772 174.700 0.021 0.000 1.051 169 T CA 1.094 63.202 62.100 0.014 0.000 1.141 169 T CB -0.113 68.763 68.868 0.015 0.000 0.881 169 T HN -0.070 nan 8.240 nan 0.000 0.461 170 T N 0.272 114.845 114.554 0.030 0.000 3.031 170 T HA 0.438 4.788 4.350 0.000 0.000 0.254 170 T C 1.743 176.467 174.700 0.039 0.000 1.060 170 T CA 0.810 62.933 62.100 0.037 0.000 1.135 170 T CB -0.299 68.600 68.868 0.052 0.000 0.896 170 T HN 0.746 nan 8.240 nan 0.000 0.472 171 G N 0.641 109.467 108.800 0.043 0.000 2.195 171 G HA2 -0.185 3.775 3.960 0.000 0.000 0.224 171 G HA3 -0.185 3.775 3.960 0.000 0.000 0.224 171 G C 0.357 175.300 174.900 0.072 0.000 0.990 171 G CA 0.502 45.628 45.100 0.044 0.000 0.639 171 G HN 0.781 nan 8.290 nan 0.000 0.514 172 T N -1.443 113.174 114.554 0.105 0.000 2.630 172 T HA 0.710 5.060 4.350 0.000 0.000 0.300 172 T C -1.548 173.331 174.700 0.299 0.000 1.261 172 T CA 0.657 62.867 62.100 0.183 0.000 1.060 172 T CB 1.232 70.153 68.868 0.090 0.000 1.670 172 T HN 1.715 nan 8.240 nan 0.000 0.473 173 Y N -0.702 119.604 120.300 0.011 0.000 2.750 173 Y HA 0.778 5.328 4.550 0.000 0.000 0.335 173 Y C -1.924 173.992 175.900 0.027 0.000 1.252 173 Y CA -1.197 56.918 58.100 0.026 0.000 1.064 173 Y CB 0.625 39.111 38.460 0.044 0.000 1.321 173 Y HN 0.473 nan 8.280 nan 0.000 0.451 174 Q N 1.886 121.695 119.800 0.015 0.000 2.365 174 Q HA 0.565 4.905 4.340 0.000 0.000 0.269 174 Q C -1.086 174.895 176.000 -0.031 0.000 1.061 174 Q CA -0.826 54.928 55.803 -0.081 0.000 0.816 174 Q CB 3.179 31.922 28.738 0.009 0.000 1.325 174 Q HN 0.831 nan 8.270 nan 0.000 0.446 175 L N 1.328 122.509 121.223 -0.070 0.000 2.399 175 L HA 0.400 4.740 4.340 0.000 0.000 0.266 175 L C 1.069 177.955 176.870 0.025 0.000 1.114 175 L CA -0.547 54.300 54.840 0.012 0.000 0.804 175 L CB 0.901 42.954 42.059 -0.009 0.000 1.146 175 L HN 0.692 nan 8.230 nan 0.000 0.451 176 T N -1.270 113.298 114.554 0.024 0.000 2.816 176 T HA 0.152 4.502 4.350 0.000 0.000 0.282 176 T C 0.913 175.610 174.700 -0.005 0.000 0.993 176 T CA -0.711 61.396 62.100 0.012 0.000 0.994 176 T CB 1.091 69.964 68.868 0.008 0.000 1.025 176 T HN 0.457 nan 8.240 nan 0.000 0.529 177 L N 0.683 121.906 121.223 -0.001 0.000 2.012 177 L HA -0.006 4.334 4.340 0.000 0.000 0.210 177 L C 2.176 179.052 176.870 0.009 0.000 1.073 177 L CA 2.167 57.001 54.840 -0.011 0.000 0.748 177 L CB -1.274 40.778 42.059 -0.012 0.000 0.891 177 L HN 0.960 nan 8.230 nan 0.000 0.431 178 D N -1.046 119.373 120.400 0.032 0.000 2.149 178 D HA -0.213 4.427 4.640 0.000 0.000 0.198 178 D C 2.029 178.408 176.300 0.131 0.000 0.990 178 D CA 1.400 55.460 54.000 0.100 0.000 0.839 178 D CB 0.085 40.974 40.800 0.147 0.000 0.948 178 D HN 0.529 nan 8.370 nan 0.000 0.460 179 E N -0.548 119.604 120.200 -0.080 0.000 2.072 179 E HA -0.155 4.195 4.350 0.000 0.000 0.191 179 E C 1.995 178.745 176.600 0.251 0.000 0.985 179 E CA 0.473 56.815 56.400 -0.098 0.000 0.801 179 E CB -0.072 29.538 29.700 -0.148 0.000 0.750 179 E HN 0.248 nan 8.360 nan 0.000 0.452 180 L N 1.202 122.472 121.223 0.077 0.000 2.017 180 L HA -0.170 4.170 4.340 0.000 0.000 0.208 180 L C 2.018 178.898 176.870 0.015 0.000 1.073 180 L CA 1.579 56.404 54.840 -0.024 0.000 0.745 180 L CB -0.295 41.692 42.059 -0.121 0.000 0.894 180 L HN 0.122 nan 8.230 nan 0.000 0.432 181 I N -1.110 119.497 120.570 0.060 0.000 2.127 181 I HA -0.341 3.829 4.170 0.000 0.000 0.241 181 I C 2.423 178.642 176.117 0.170 0.000 1.075 181 I CA 1.945 63.284 61.300 0.066 0.000 1.334 181 I CB -0.509 37.528 38.000 0.061 0.000 1.040 181 I HN 0.365 nan 8.210 nan 0.000 0.405 182 F N 1.829 121.880 119.950 0.168 0.000 2.161 182 F HA -0.254 4.273 4.527 0.000 0.000 0.300 182 F C 2.415 178.372 175.800 0.261 0.000 1.089 182 F CA 1.478 59.634 58.000 0.261 0.000 1.282 182 F CB -0.268 38.986 39.000 0.423 0.000 1.010 182 F HN 0.005 nan 8.300 nan 0.000 0.485 183 A N 0.221 123.196 122.820 0.259 0.000 1.877 183 A HA -0.202 4.118 4.320 0.000 0.000 0.216 183 A C 2.292 179.796 177.584 -0.133 0.000 1.186 183 A CA 2.496 54.558 52.037 0.041 0.000 0.620 183 A CB -1.685 17.286 19.000 -0.048 0.000 0.822 183 A HN 0.555 nan 8.150 nan 0.000 0.443 184 T N -1.640 112.865 114.554 -0.082 0.000 2.833 184 T HA -0.153 4.197 4.350 0.000 0.000 0.269 184 T C 1.771 176.508 174.700 0.062 0.000 1.054 184 T CA 1.688 63.766 62.100 -0.037 0.000 1.135 184 T CB -0.326 68.537 68.868 -0.008 0.000 0.869 184 T HN 0.553 nan 8.240 nan 0.000 0.466 185 K N 0.183 120.631 120.400 0.079 0.000 2.062 185 K HA 0.124 4.444 4.320 0.000 0.000 0.205 185 K C 2.523 179.217 176.600 0.158 0.000 1.051 185 K CA 1.081 57.516 56.287 0.246 0.000 0.941 185 K CB -0.216 32.434 32.500 0.249 0.000 0.719 185 K HN 0.244 nan 8.250 nan 0.000 0.440 186 M N 0.689 120.202 119.600 -0.146 0.000 2.159 186 M HA -0.088 4.392 4.480 0.000 0.000 0.263 186 M C 2.427 178.571 176.300 -0.260 0.000 1.063 186 M CA 1.362 56.469 55.300 -0.321 0.000 1.110 186 M CB -1.048 31.260 32.600 -0.487 0.000 1.374 186 M HN 0.157 nan 8.290 nan 0.000 0.411 187 A N -0.676 121.969 122.820 -0.290 0.000 1.933 187 A HA -0.210 4.110 4.320 0.000 0.000 0.218 187 A C 2.012 179.423 177.584 -0.287 0.000 1.175 187 A CA 1.465 53.188 52.037 -0.522 0.000 0.628 187 A CB -1.090 17.218 19.000 -1.154 0.000 0.814 187 A HN 0.676 nan 8.150 nan 0.000 0.444 188 W N 0.942 122.133 121.300 -0.183 0.000 2.379 188 W HA -0.108 4.552 4.660 0.000 0.000 0.307 188 W C 2.304 178.735 176.519 -0.147 0.000 1.200 188 W CA 1.462 58.769 57.345 -0.064 0.000 1.297 188 W CB -0.748 28.698 29.460 -0.024 0.000 1.140 188 W HN 0.363 nan 8.180 nan 0.000 0.507 189 R N 0.404 120.819 120.500 -0.143 0.000 2.139 189 R HA -0.188 4.152 4.340 0.000 0.000 0.243 189 R C 1.169 177.298 176.300 -0.285 0.000 1.145 189 R CA 1.822 57.657 56.100 -0.442 0.000 0.976 189 R CB -0.537 29.243 30.300 -0.866 0.000 0.866 189 R HN 0.091 nan 8.270 nan 0.000 0.449 190 N N 0.059 118.624 118.700 -0.225 0.000 2.314 190 N HA 0.062 4.802 4.740 0.000 0.000 0.200 190 N C -0.758 174.644 175.510 -0.180 0.000 1.135 190 N CA 0.423 53.373 53.050 -0.167 0.000 0.835 190 N CB 1.078 39.512 38.487 -0.088 0.000 0.989 190 N HN 0.152 nan 8.380 nan 0.000 0.478 191 A N 1.710 124.414 122.820 -0.193 0.000 2.437 191 A HA 0.342 4.662 4.320 0.000 0.000 0.303 191 A C -1.330 176.169 177.584 -0.142 0.000 1.324 191 A CA -1.097 50.785 52.037 -0.260 0.000 0.983 191 A CB 0.475 19.400 19.000 -0.126 0.000 1.142 191 A HN -0.040 nan 8.150 nan 0.000 0.541 192 P HA -0.123 nan 4.420 nan 0.000 0.221 192 P C 1.050 178.292 177.300 -0.097 0.000 1.145 192 P CA 1.150 64.192 63.100 -0.096 0.000 0.795 192 P CB 0.173 31.823 31.700 -0.084 0.000 0.775 193 R N -2.342 118.067 120.500 -0.152 0.000 2.334 193 R HA 0.167 4.507 4.340 0.000 0.000 0.216 193 R C 0.293 176.619 176.300 0.045 0.000 0.905 193 R CA -0.169 55.878 56.100 -0.089 0.000 1.064 193 R CB -0.302 29.723 30.300 -0.459 0.000 1.046 193 R HN 0.185 nan 8.270 nan 0.000 0.508 194 C N 0.837 120.130 119.300 -0.013 0.000 2.347 194 C HA 0.284 4.744 4.460 0.000 0.000 0.353 194 C C 1.653 176.610 174.990 -0.056 0.000 1.273 194 C CA -0.766 58.272 59.018 0.034 0.000 1.861 194 C CB -0.201 27.616 27.740 0.128 0.000 2.420 194 C HN 0.472 nan 8.230 nan 0.000 0.542 195 I N 4.460 124.989 120.570 -0.068 0.000 3.603 195 I HA 0.271 4.441 4.170 0.000 0.000 0.297 195 I C 1.891 178.068 176.117 0.099 0.000 1.269 195 I CA 1.266 62.481 61.300 -0.142 0.000 1.361 195 I CB 0.093 38.025 38.000 -0.115 0.000 1.063 195 I HN 0.858 nan 8.210 nan 0.000 0.448 196 G N -0.193 108.668 108.800 0.102 0.000 3.371 196 G HA2 0.024 3.984 3.960 0.000 0.000 0.248 196 G HA3 0.024 3.984 3.960 0.000 0.000 0.248 196 G C 1.339 176.260 174.900 0.036 0.000 1.161 196 G CA -0.345 44.814 45.100 0.098 0.000 0.796 196 G HN 0.218 nan 8.290 nan 0.000 0.539 197 R N -0.154 120.302 120.500 -0.074 0.000 2.397 197 R HA 0.062 4.402 4.340 0.000 0.000 0.213 197 R C 1.923 177.727 176.300 -0.826 0.000 1.102 197 R CA 0.249 56.009 56.100 -0.567 0.000 1.040 197 R CB -0.176 29.806 30.300 -0.531 0.000 0.844 197 R HN 0.467 nan 8.270 nan 0.000 0.478 198 I N 0.611 120.893 120.570 -0.479 0.000 2.830 198 I HA -0.202 3.968 4.170 0.000 0.000 0.263 198 I C 1.273 177.278 176.117 -0.188 0.000 1.230 198 I CA 1.080 62.261 61.300 -0.200 0.000 1.480 198 I CB 0.187 38.197 38.000 0.017 0.000 1.095 198 I HN 0.166 nan 8.210 nan 0.000 0.455 199 Q N 0.561 120.165 119.800 -0.327 0.000 2.360 199 Q HA -0.080 4.260 4.340 0.000 0.000 0.202 199 Q C 1.593 177.052 176.000 -0.903 0.000 0.915 199 Q CA 0.265 55.853 55.803 -0.357 0.000 0.943 199 Q CB -0.169 28.542 28.738 -0.046 0.000 1.064 199 Q HN 0.775 nan 8.270 nan 0.000 0.511 200 W N 1.221 121.651 121.300 -1.450 0.000 2.296 200 W HA -0.251 4.409 4.660 0.000 0.000 0.296 200 W C 1.178 177.324 176.519 -0.622 0.000 1.220 200 W CA 1.641 57.973 57.345 -1.688 0.000 1.223 200 W CB -1.262 27.537 29.460 -1.102 0.000 1.139 200 W HN 0.185 nan 8.180 nan 0.000 0.534 201 S N 0.126 115.063 115.700 -1.271 0.000 2.575 201 S HA 0.012 4.482 4.470 0.000 0.000 0.215 201 S C 0.535 174.901 174.600 -0.390 0.000 0.966 201 S CA 0.184 57.800 58.200 -0.973 0.000 0.911 201 S CB -0.611 61.771 63.200 -1.363 0.000 0.780 201 S HN 0.173 nan 8.310 nan 0.000 0.514 202 N N 1.405 119.970 118.700 -0.224 0.000 3.105 202 N HA 0.471 5.211 4.740 0.000 0.000 0.256 202 N C -1.392 174.218 175.510 0.167 0.000 1.174 202 N CA -0.498 52.541 53.050 -0.020 0.000 1.030 202 N CB 0.360 38.852 38.487 0.007 0.000 1.305 202 N HN 0.407 nan 8.380 nan 0.000 0.509 203 L N 1.683 122.967 121.223 0.102 0.000 2.438 203 L HA 0.486 4.826 4.340 0.000 0.000 0.270 203 L C -0.866 175.957 176.870 -0.078 0.000 0.972 203 L CA -0.697 54.188 54.840 0.073 0.000 0.831 203 L CB 1.929 44.077 42.059 0.148 0.000 1.273 203 L HN 0.282 nan 8.230 nan 0.000 0.405 204 Q N 2.973 122.674 119.800 -0.166 0.000 2.286 204 Q HA 0.581 4.921 4.340 0.000 0.000 0.257 204 Q C -1.635 173.992 176.000 -0.621 0.000 0.941 204 Q CA -0.089 55.450 55.803 -0.440 0.000 0.912 204 Q CB 1.397 29.752 28.738 -0.639 0.000 1.192 204 Q HN 0.517 nan 8.270 nan 0.000 0.410 205 V N 5.787 125.324 119.914 -0.628 0.000 2.384 205 V HA 0.449 4.569 4.120 0.000 0.000 0.287 205 V C -0.904 174.799 176.094 -0.652 0.000 1.020 205 V CA -0.598 61.385 62.300 -0.528 0.000 0.850 205 V CB 0.809 32.466 31.823 -0.276 0.000 0.987 205 V HN 0.660 nan 8.190 nan 0.000 0.436 206 F N 2.585 122.375 119.950 -0.268 0.000 2.361 206 F HA 0.388 4.915 4.527 0.000 0.000 0.364 206 F C 0.440 176.068 175.800 -0.288 0.000 1.117 206 F CA -1.117 56.724 58.000 -0.264 0.000 1.071 206 F CB 1.121 39.959 39.000 -0.271 0.000 1.188 206 F HN 0.418 nan 8.300 nan 0.000 0.464 207 D N 3.359 123.717 120.400 -0.070 0.000 2.393 207 D HA 0.370 5.010 4.640 0.000 0.000 0.232 207 D C 0.100 176.271 176.300 -0.214 0.000 1.192 207 D CA 0.162 54.072 54.000 -0.150 0.000 0.882 207 D CB 1.015 41.757 40.800 -0.097 0.000 1.038 207 D HN 0.608 nan 8.370 nan 0.000 0.499 208 A N 4.624 127.200 122.820 -0.407 0.000 2.701 208 A HA 0.173 4.493 4.320 0.000 0.000 0.297 208 A C 1.604 178.987 177.584 -0.334 0.000 1.197 208 A CA -0.420 51.259 52.037 -0.597 0.000 0.963 208 A CB 0.035 18.261 19.000 -1.290 0.000 1.175 208 A HN 0.516 nan 8.150 nan 0.000 0.531 209 R N 0.931 121.314 120.500 -0.196 0.000 2.235 209 R HA -0.083 4.258 4.340 0.000 0.000 0.213 209 R C 1.249 177.501 176.300 -0.081 0.000 1.059 209 R CA 1.192 57.228 56.100 -0.107 0.000 0.997 209 R CB 0.027 30.309 30.300 -0.030 0.000 0.884 209 R HN 0.742 nan 8.270 nan 0.000 0.462 210 N N 0.073 118.744 118.700 -0.048 0.000 2.336 210 N HA -0.061 4.679 4.740 0.000 0.000 0.189 210 N C 0.449 175.995 175.510 0.060 0.000 1.113 210 N CA -0.120 52.938 53.050 0.013 0.000 0.858 210 N CB -0.358 38.150 38.487 0.036 0.000 0.970 210 N HN 0.013 nan 8.380 nan 0.000 0.471 211 C N 1.329 120.654 119.300 0.041 0.000 2.727 211 C HA 0.321 4.781 4.460 0.000 0.000 0.401 211 C C 1.842 176.977 174.990 0.242 0.000 1.294 211 C CA 0.728 59.852 59.018 0.176 0.000 2.134 211 C CB 0.182 28.064 27.740 0.237 0.000 2.724 211 C HN 0.673 nan 8.230 nan 0.000 0.677 212 S N 0.571 116.490 115.700 0.366 0.000 2.590 212 S HA 0.184 4.654 4.470 0.000 0.000 0.281 212 S C 0.143 174.925 174.600 0.302 0.000 1.068 212 S CA 0.469 58.915 58.200 0.410 0.000 1.193 212 S CB -0.277 63.063 63.200 0.233 0.000 1.040 212 S HN 1.067 nan 8.310 nan 0.000 0.544 213 T N -0.913 113.786 114.554 0.242 0.000 2.930 213 T HA 0.862 5.212 4.350 0.000 0.000 0.290 213 T C 1.239 176.008 174.700 0.115 0.000 1.052 213 T CA -0.199 61.982 62.100 0.134 0.000 1.017 213 T CB 1.496 70.435 68.868 0.117 0.000 1.137 213 T HN 0.350 nan 8.240 nan 0.000 0.511 214 A N 0.459 123.314 122.820 0.058 0.000 1.933 214 A HA -0.070 4.250 4.320 0.000 0.000 0.218 214 A C 2.289 179.839 177.584 -0.057 0.000 1.175 214 A CA 1.980 54.031 52.037 0.022 0.000 0.628 214 A CB -1.104 17.991 19.000 0.158 0.000 0.814 214 A HN 0.889 nan 8.150 nan 0.000 0.444 215 Q N 0.377 120.237 119.800 0.099 0.000 2.124 215 Q HA -0.167 4.173 4.340 0.000 0.000 0.202 215 Q C 1.707 177.748 176.000 0.069 0.000 0.977 215 Q CA 2.232 58.101 55.803 0.109 0.000 0.850 215 Q CB -0.377 28.483 28.738 0.204 0.000 0.901 215 Q HN 0.749 nan 8.270 nan 0.000 0.429 216 E N -0.511 119.748 120.200 0.100 0.000 2.107 216 E HA -0.136 4.214 4.350 0.000 0.000 0.191 216 E C 2.036 178.770 176.600 0.224 0.000 0.982 216 E CA 1.171 57.650 56.400 0.130 0.000 0.809 216 E CB -0.125 29.707 29.700 0.220 0.000 0.756 216 E HN 0.453 nan 8.360 nan 0.000 0.459 217 M N 0.130 119.839 119.600 0.182 0.000 2.067 217 M HA -0.165 4.315 4.480 0.000 0.000 0.260 217 M C 2.259 178.610 176.300 0.084 0.000 1.069 217 M CA 1.364 56.742 55.300 0.130 0.000 1.117 217 M CB -0.342 32.131 32.600 -0.213 0.000 1.334 217 M HN 0.123 nan 8.290 nan 0.000 0.407 218 F N 1.411 121.163 119.950 -0.330 0.000 2.154 218 F HA -0.286 4.241 4.527 0.000 0.000 0.301 218 F C 2.228 177.920 175.800 -0.181 0.000 1.087 218 F CA 1.885 59.628 58.000 -0.429 0.000 1.274 218 F CB -0.496 37.929 39.000 -0.959 0.000 1.009 218 F HN 0.201 nan 8.300 nan 0.000 0.485 219 Q N -1.255 118.370 119.800 -0.291 0.000 2.123 219 Q HA -0.178 4.162 4.340 0.000 0.000 0.199 219 Q C 2.169 177.979 176.000 -0.316 0.000 0.966 219 Q CA 1.405 56.979 55.803 -0.381 0.000 0.845 219 Q CB -0.357 28.221 28.738 -0.267 0.000 0.907 219 Q HN 0.536 nan 8.270 nan 0.000 0.439 220 H N 0.163 119.184 119.070 -0.081 0.000 2.363 220 H HA -0.021 4.535 4.556 0.000 0.000 0.301 220 H C 2.113 177.391 175.328 -0.084 0.000 1.074 220 H CA 1.085 57.092 56.048 -0.068 0.000 1.354 220 H CB 0.081 29.898 29.762 0.092 0.000 1.397 220 H HN 0.240 nan 8.280 nan 0.000 0.516 221 I N -0.009 120.631 120.570 0.118 0.000 2.286 221 I HA -0.279 3.892 4.170 0.000 0.000 0.248 221 I C 2.596 178.656 176.117 -0.095 0.000 1.115 221 I CA 0.689 62.010 61.300 0.035 0.000 1.392 221 I CB -0.199 37.827 38.000 0.043 0.000 1.065 221 I HN 0.214 nan 8.210 nan 0.000 0.418 222 C N 0.184 119.334 119.300 -0.251 0.000 2.446 222 C HA -0.113 4.347 4.460 0.000 0.000 0.277 222 C C 2.957 177.848 174.990 -0.166 0.000 1.275 222 C CA 0.487 59.343 59.018 -0.270 0.000 1.727 222 C CB -1.028 26.429 27.740 -0.472 0.000 2.010 222 C HN 0.451 nan 8.230 nan 0.000 0.486 223 R N 0.487 120.865 120.500 -0.205 0.000 2.083 223 R HA -0.157 4.183 4.340 0.000 0.000 0.237 223 R C 2.023 178.199 176.300 -0.206 0.000 1.137 223 R CA 2.048 58.008 56.100 -0.235 0.000 0.951 223 R CB -1.135 28.952 30.300 -0.355 0.000 0.851 223 R HN 0.788 nan 8.270 nan 0.000 0.434 224 H N -0.242 118.635 119.070 -0.321 0.000 2.290 224 H HA -0.056 4.500 4.556 0.000 0.000 0.298 224 H C 2.310 177.666 175.328 0.047 0.000 1.087 224 H CA 2.219 58.176 56.048 -0.152 0.000 1.291 224 H CB -0.114 29.612 29.762 -0.060 0.000 1.369 224 H HN 0.150 nan 8.280 nan 0.000 0.492 225 I N 0.115 120.805 120.570 0.200 0.000 2.194 225 I HA -0.277 3.893 4.170 0.000 0.000 0.246 225 I C 2.470 178.657 176.117 0.117 0.000 1.093 225 I CA 0.960 62.334 61.300 0.124 0.000 1.355 225 I CB -0.223 37.780 38.000 0.005 0.000 1.046 225 I HN 0.344 nan 8.210 nan 0.000 0.413 226 L N 0.260 121.526 121.223 0.072 0.000 2.017 226 L HA -0.270 4.070 4.340 0.000 0.000 0.208 226 L C 2.514 179.443 176.870 0.098 0.000 1.073 226 L CA 1.915 56.789 54.840 0.057 0.000 0.745 226 L CB -0.994 41.075 42.059 0.017 0.000 0.894 226 L HN 0.269 nan 8.230 nan 0.000 0.432 227 Y N 0.202 120.532 120.300 0.049 0.000 2.145 227 Y HA -0.216 4.334 4.550 0.000 0.000 0.286 227 Y C 2.343 178.320 175.900 0.129 0.000 1.145 227 Y CA 2.076 60.241 58.100 0.108 0.000 1.148 227 Y CB -0.649 37.943 38.460 0.220 0.000 0.981 227 Y HN 0.237 nan 8.280 nan 0.000 0.507 228 A N -0.624 122.291 122.820 0.159 0.000 1.902 228 A HA -0.155 4.165 4.320 0.000 0.000 0.217 228 A C 2.207 179.809 177.584 0.030 0.000 1.181 228 A CA 2.204 54.300 52.037 0.099 0.000 0.623 228 A CB -1.308 17.889 19.000 0.328 0.000 0.818 228 A HN 0.530 nan 8.150 nan 0.000 0.443 229 T N -0.123 114.463 114.554 0.054 0.000 2.777 229 T HA -0.112 4.238 4.350 0.000 0.000 0.266 229 T C 1.127 175.825 174.700 -0.004 0.000 1.040 229 T CA 1.210 63.339 62.100 0.048 0.000 1.141 229 T CB -0.439 68.460 68.868 0.053 0.000 0.868 229 T HN 0.646 nan 8.240 nan 0.000 0.444 230 N N 1.603 120.273 118.700 -0.051 0.000 2.702 230 N HA -0.267 4.473 4.740 0.000 0.000 0.255 230 N C -0.039 175.446 175.510 -0.041 0.000 0.983 230 N CA 0.957 53.961 53.050 -0.078 0.000 0.768 230 N CB -1.906 36.487 38.487 -0.158 0.000 0.918 230 N HN 0.449 nan 8.380 nan 0.000 0.540 231 N N -1.422 117.266 118.700 -0.020 0.000 2.735 231 N HA -0.205 4.535 4.740 0.000 0.000 0.248 231 N C 0.995 176.494 175.510 -0.019 0.000 1.083 231 N CA 2.445 55.485 53.050 -0.016 0.000 0.703 231 N CB -1.236 37.239 38.487 -0.019 0.000 1.005 231 N HN 1.252 nan 8.380 nan 0.000 0.550 232 G N -0.972 107.824 108.800 -0.007 0.000 2.279 232 G HA2 -0.332 3.628 3.960 0.000 0.000 0.223 232 G HA3 -0.332 3.628 3.960 0.000 0.000 0.223 232 G C 0.080 174.978 174.900 -0.004 0.000 1.015 232 G CA 0.184 45.283 45.100 -0.001 0.000 0.621 232 G HN 0.704 nan 8.290 nan 0.000 0.506 233 N N 2.178 120.861 118.700 -0.028 0.000 3.124 233 N HA 0.319 5.059 4.740 0.000 0.000 0.284 233 N C 0.874 176.362 175.510 -0.037 0.000 1.209 233 N CA -0.561 52.457 53.050 -0.053 0.000 1.149 233 N CB -0.479 37.971 38.487 -0.062 0.000 1.434 233 N HN 0.351 nan 8.380 nan 0.000 0.529 234 I N 1.694 122.273 120.570 0.016 0.000 2.906 234 I HA -0.111 4.059 4.170 0.000 0.000 0.302 234 I C 0.826 177.050 176.117 0.178 0.000 1.220 234 I CA 0.814 62.187 61.300 0.122 0.000 1.441 234 I CB -0.329 37.834 38.000 0.272 0.000 1.336 234 I HN 0.297 nan 8.210 nan 0.000 0.565 235 R N 3.856 124.432 120.500 0.127 0.000 2.621 235 R HA 0.418 4.758 4.340 0.000 0.000 0.292 235 R C -0.470 175.948 176.300 0.196 0.000 0.969 235 R CA -0.683 55.500 56.100 0.138 0.000 0.887 235 R CB 2.020 32.222 30.300 -0.163 0.000 1.180 235 R HN 0.556 nan 8.270 nan 0.000 0.450 236 S N 1.344 117.162 115.700 0.196 0.000 2.548 236 S HA 0.580 5.050 4.470 0.000 0.000 0.277 236 S C -0.356 174.281 174.600 0.063 0.000 1.315 236 S CA -0.349 57.874 58.200 0.038 0.000 1.050 236 S CB 1.398 64.525 63.200 -0.122 0.000 0.918 236 S HN 0.706 nan 8.310 nan 0.000 0.497 237 A N 2.550 125.370 122.820 0.001 0.000 2.599 237 A HA 0.855 5.175 4.320 0.000 0.000 0.290 237 A C -1.398 176.125 177.584 -0.102 0.000 1.101 237 A CA -0.675 51.285 52.037 -0.129 0.000 0.674 237 A CB 1.152 20.073 19.000 -0.133 0.000 1.277 237 A HN 0.799 nan 8.150 nan 0.000 0.419 238 I N 0.015 120.484 120.570 -0.168 0.000 2.752 238 I HA 0.616 4.786 4.170 0.000 0.000 0.295 238 I C -1.308 174.839 176.117 0.050 0.000 1.219 238 I CA -0.151 61.197 61.300 0.080 0.000 1.030 238 I CB 2.457 40.463 38.000 0.009 0.000 1.259 238 I HN 0.603 nan 8.210 nan 0.000 0.423 239 T N 6.147 120.807 114.554 0.176 0.000 2.791 239 T HA 0.423 4.773 4.350 0.000 0.000 0.288 239 T C -0.712 173.807 174.700 -0.302 0.000 0.999 239 T CA -0.350 61.726 62.100 -0.040 0.000 0.952 239 T CB 1.417 70.278 68.868 -0.012 0.000 0.938 239 T HN 0.254 nan 8.240 nan 0.000 0.444 240 V N 5.246 124.929 119.914 -0.386 0.000 2.348 240 V HA 0.439 4.559 4.120 0.000 0.000 0.270 240 V C -0.216 175.598 176.094 -0.466 0.000 1.037 240 V CA -0.686 61.391 62.300 -0.372 0.000 0.872 240 V CB -0.240 31.338 31.823 -0.408 0.000 1.002 240 V HN 0.750 nan 8.190 nan 0.000 0.464 241 F N 5.137 125.046 119.950 -0.068 0.000 2.362 241 F HA 0.454 4.981 4.527 0.000 0.000 0.311 241 F C -1.754 173.958 175.800 -0.147 0.000 1.161 241 F CA -2.429 55.449 58.000 -0.203 0.000 1.085 241 F CB 0.429 39.308 39.000 -0.202 0.000 1.311 241 F HN 0.300 nan 8.300 nan 0.000 0.524 242 P HA -0.053 nan 4.420 nan 0.000 0.262 242 P C -1.220 176.059 177.300 -0.034 0.000 1.182 242 P CA 0.020 63.004 63.100 -0.193 0.000 0.761 242 P CB 0.144 31.564 31.700 -0.467 0.000 0.795 243 Q N 3.460 123.174 119.800 -0.144 0.000 2.364 243 Q HA 0.079 4.419 4.340 0.000 0.000 0.267 243 Q C 0.208 176.052 176.000 -0.259 0.000 0.999 243 Q CA -0.542 54.900 55.803 -0.601 0.000 0.886 243 Q CB 0.748 28.858 28.738 -1.047 0.000 1.243 243 Q HN 0.345 nan 8.270 nan 0.000 0.415 244 R N 1.577 121.946 120.500 -0.219 0.000 2.638 244 R HA -0.063 4.278 4.340 0.000 0.000 0.268 244 R C 0.071 176.333 176.300 -0.063 0.000 1.006 244 R CA 0.941 57.005 56.100 -0.060 0.000 1.088 244 R CB 0.494 30.763 30.300 -0.052 0.000 0.950 244 R HN 0.990 nan 8.270 nan 0.000 0.419 245 S N 1.999 117.710 115.700 0.018 0.000 2.826 245 S HA -0.019 4.451 4.470 0.000 0.000 0.193 245 S C 0.717 175.340 174.600 0.038 0.000 0.838 245 S CA 0.223 58.431 58.200 0.013 0.000 0.844 245 S CB -0.060 63.151 63.200 0.018 0.000 0.816 245 S HN 0.821 nan 8.310 nan 0.000 0.626 246 D N 0.098 120.554 120.400 0.094 0.000 2.398 246 D HA 0.363 5.004 4.640 0.000 0.000 0.210 246 D C 1.351 177.699 176.300 0.079 0.000 1.094 246 D CA 0.586 54.641 54.000 0.091 0.000 0.839 246 D CB -0.113 40.764 40.800 0.129 0.000 0.963 246 D HN 0.835 nan 8.370 nan 0.000 0.506 247 G N 0.786 109.635 108.800 0.082 0.000 2.179 247 G HA2 -0.359 3.601 3.960 0.000 0.000 0.260 247 G HA3 -0.359 3.601 3.960 0.000 0.000 0.260 247 G C 0.995 175.909 174.900 0.024 0.000 0.977 247 G CA 0.453 45.580 45.100 0.044 0.000 0.641 247 G HN 0.443 nan 8.290 nan 0.000 0.533 248 K N -0.643 119.777 120.400 0.032 0.000 2.355 248 K HA 0.235 4.555 4.320 0.000 0.000 0.198 248 K C 0.512 176.881 176.600 -0.384 0.000 1.039 248 K CA 0.326 56.522 56.287 -0.152 0.000 1.075 248 K CB 0.384 32.769 32.500 -0.192 0.000 0.870 248 K HN 0.528 nan 8.250 nan 0.000 0.540 249 H N 0.404 119.491 119.070 0.027 0.000 2.587 249 H HA 0.194 4.750 4.556 0.000 0.000 0.245 249 H C -1.048 174.319 175.328 0.065 0.000 1.238 249 H CA -0.764 55.300 56.048 0.027 0.000 0.963 249 H CB 0.166 29.959 29.762 0.052 0.000 1.904 249 H HN -0.036 nan 8.280 nan 0.000 0.584 250 D N 0.462 120.929 120.400 0.111 0.000 2.414 250 D HA 0.027 4.667 4.640 0.000 0.000 0.242 250 D C -0.007 176.369 176.300 0.127 0.000 1.129 250 D CA 0.317 54.411 54.000 0.158 0.000 0.885 250 D CB 0.658 41.518 40.800 0.100 0.000 1.198 250 D HN 0.129 nan 8.370 nan 0.000 0.437 251 F N 2.191 122.179 119.950 0.062 0.000 2.394 251 F HA 0.377 4.904 4.527 0.000 0.000 0.340 251 F C 0.942 176.767 175.800 0.041 0.000 1.105 251 F CA -0.224 57.789 58.000 0.022 0.000 1.124 251 F CB 0.872 39.879 39.000 0.012 0.000 1.145 251 F HN -0.127 nan 8.300 nan 0.000 0.505 252 R N 3.218 123.809 120.500 0.153 0.000 2.698 252 R HA 0.531 4.871 4.340 0.000 0.000 0.275 252 R C -1.831 174.603 176.300 0.223 0.000 1.001 252 R CA -1.128 55.085 56.100 0.189 0.000 0.896 252 R CB 2.128 32.555 30.300 0.211 0.000 1.218 252 R HN 0.494 nan 8.270 nan 0.000 0.462 253 L N 1.530 122.877 121.223 0.206 0.000 2.287 253 L HA 0.384 4.724 4.340 0.000 0.000 0.287 253 L C 0.524 177.600 176.870 0.342 0.000 1.022 253 L CA -0.123 54.845 54.840 0.213 0.000 0.814 253 L CB 1.051 43.169 42.059 0.099 0.000 1.217 253 L HN 0.582 nan 8.230 nan 0.000 0.420 254 W N 0.660 122.020 121.300 0.100 0.000 2.770 254 W HA 0.069 4.729 4.660 0.000 0.000 0.256 254 W C 0.654 177.292 176.519 0.198 0.000 1.291 254 W CA -0.457 57.037 57.345 0.248 0.000 1.396 254 W CB -0.776 28.924 29.460 0.401 0.000 1.114 254 W HN 0.480 nan 8.180 nan 0.000 0.637 255 N N -0.656 118.166 118.700 0.203 0.000 2.444 255 N HA 0.053 4.793 4.740 0.000 0.000 0.255 255 N C 1.103 176.483 175.510 -0.217 0.000 1.255 255 N CA 0.378 53.275 53.050 -0.256 0.000 0.933 255 N CB 0.766 39.169 38.487 -0.140 0.000 1.143 255 N HN -0.311 nan 8.380 nan 0.000 0.453 256 S N -0.080 115.430 115.700 -0.316 0.000 2.388 256 S HA 0.028 4.498 4.470 0.000 0.000 0.223 256 S C 0.084 174.585 174.600 -0.164 0.000 1.034 256 S CA 0.957 59.050 58.200 -0.178 0.000 0.963 256 S CB 0.063 63.178 63.200 -0.142 0.000 0.827 256 S HN 0.542 nan 8.310 nan 0.000 0.481 257 Q N -0.690 119.000 119.800 -0.183 0.000 2.451 257 Q HA 0.518 4.858 4.340 0.000 0.000 0.281 257 Q C 0.590 176.469 176.000 -0.201 0.000 1.099 257 Q CA -0.375 55.323 55.803 -0.174 0.000 0.806 257 Q CB 1.277 29.955 28.738 -0.100 0.000 1.419 257 Q HN 0.019 nan 8.270 nan 0.000 0.427 258 L N 0.260 121.358 121.223 -0.208 0.000 2.017 258 L HA 0.000 4.341 4.340 0.000 0.000 0.208 258 L C 0.366 177.087 176.870 -0.249 0.000 1.073 258 L CA 1.073 55.795 54.840 -0.197 0.000 0.745 258 L CB -0.008 41.928 42.059 -0.205 0.000 0.894 258 L HN 0.527 nan 8.230 nan 0.000 0.432 259 I N -0.096 120.251 120.570 -0.372 0.000 2.354 259 I HA 0.459 4.629 4.170 0.000 0.000 0.292 259 I C -0.260 175.282 176.117 -0.960 0.000 0.989 259 I CA -0.258 60.634 61.300 -0.681 0.000 1.188 259 I CB 1.391 38.858 38.000 -0.887 0.000 1.342 259 I HN 0.095 nan 8.210 nan 0.000 0.457 260 R N 4.376 124.378 120.500 -0.829 0.000 2.634 260 R HA 0.484 4.824 4.340 0.000 0.000 0.263 260 R C -1.953 174.106 176.300 -0.401 0.000 1.060 260 R CA -0.702 55.053 56.100 -0.575 0.000 0.898 260 R CB 1.144 31.297 30.300 -0.245 0.000 1.253 260 R HN 0.299 nan 8.270 nan 0.000 0.461 261 Y N 1.164 121.455 120.300 -0.015 0.000 2.352 261 Y HA 0.685 5.235 4.550 0.000 0.000 0.326 261 Y C 0.843 176.762 175.900 0.031 0.000 1.166 261 Y CA -0.394 57.743 58.100 0.062 0.000 1.182 261 Y CB 1.582 40.178 38.460 0.227 0.000 1.216 261 Y HN 0.739 nan 8.280 nan 0.000 0.474 262 A N 1.344 124.256 122.820 0.153 0.000 2.366 262 A HA 0.650 4.970 4.320 0.000 0.000 0.249 262 A C 0.445 177.867 177.584 -0.269 0.000 1.084 262 A CA 0.243 52.198 52.037 -0.138 0.000 0.794 262 A CB -0.162 18.694 19.000 -0.241 0.000 1.034 262 A HN 0.912 nan 8.150 nan 0.000 0.491 263 G N -0.397 108.151 108.800 -0.420 0.000 2.590 263 G HA2 0.594 4.554 3.960 0.000 0.000 0.310 263 G HA3 0.594 4.554 3.960 0.000 0.000 0.310 263 G C -1.394 173.269 174.900 -0.396 0.000 1.347 263 G CA -0.297 44.621 45.100 -0.302 0.000 0.963 263 G HN 0.542 nan 8.290 nan 0.000 0.494 264 Y N 0.037 120.375 120.300 0.063 0.000 2.425 264 Y HA 0.486 5.036 4.550 0.000 0.000 0.344 264 Y C 0.268 176.222 175.900 0.091 0.000 0.969 264 Y CA -0.983 57.175 58.100 0.097 0.000 1.052 264 Y CB 2.558 41.115 38.460 0.162 0.000 1.215 264 Y HN 0.499 nan 8.280 nan 0.000 0.451 265 Q N 3.864 123.812 119.800 0.247 0.000 2.349 265 Q HA 0.355 4.695 4.340 0.000 0.000 0.254 265 Q C -0.727 175.365 176.000 0.152 0.000 0.980 265 Q CA -0.766 55.126 55.803 0.149 0.000 0.924 265 Q CB 0.582 29.379 28.738 0.098 0.000 1.209 265 Q HN 0.570 nan 8.270 nan 0.000 0.445 266 M N 4.484 124.149 119.600 0.108 0.000 2.157 266 M HA 0.161 4.641 4.480 0.000 0.000 0.304 266 M C -1.608 174.691 176.300 -0.002 0.000 1.171 266 M CA -2.288 53.036 55.300 0.040 0.000 1.157 266 M CB -0.593 32.015 32.600 0.014 0.000 1.403 266 M HN 0.454 nan 8.290 nan 0.000 0.473 267 P HA -0.170 nan 4.420 nan 0.000 0.215 267 P C 0.420 177.701 177.300 -0.032 0.000 1.153 267 P CA 1.437 64.506 63.100 -0.052 0.000 0.853 267 P CB -0.068 31.579 31.700 -0.088 0.000 0.788 268 D N -2.167 118.214 120.400 -0.031 0.000 2.371 268 D HA 0.030 4.670 4.640 0.000 0.000 0.221 268 D C 1.453 177.748 176.300 -0.008 0.000 0.986 268 D CA 1.077 55.064 54.000 -0.021 0.000 0.899 268 D CB -0.915 39.871 40.800 -0.023 0.000 0.902 268 D HN 0.270 nan 8.370 nan 0.000 0.530 269 G N -0.428 108.372 108.800 0.000 0.000 2.232 269 G HA2 -0.268 3.692 3.960 0.000 0.000 0.226 269 G HA3 -0.268 3.692 3.960 0.000 0.000 0.226 269 G C 0.573 175.483 174.900 0.017 0.000 0.996 269 G CA 0.332 45.438 45.100 0.010 0.000 0.626 269 G HN 0.829 nan 8.290 nan 0.000 0.509 270 T N 0.052 114.615 114.554 0.015 0.000 2.868 270 T HA 0.654 5.004 4.350 0.000 0.000 0.292 270 T C 0.515 175.235 174.700 0.034 0.000 1.028 270 T CA -0.534 61.577 62.100 0.018 0.000 1.059 270 T CB 1.515 70.389 68.868 0.010 0.000 0.991 270 T HN 0.391 nan 8.240 nan 0.000 0.531 271 I N 1.819 122.405 120.570 0.027 0.000 2.385 271 I HA 0.435 4.605 4.170 0.000 0.000 0.294 271 I C 0.554 176.688 176.117 0.028 0.000 0.988 271 I CA -0.550 60.772 61.300 0.036 0.000 1.265 271 I CB 1.349 39.352 38.000 0.006 0.000 1.388 271 I HN 0.818 nan 8.210 nan 0.000 0.480 272 R N 3.545 124.096 120.500 0.085 0.000 2.562 272 R HA 0.633 4.973 4.340 0.000 0.000 0.298 272 R C 0.269 176.607 176.300 0.063 0.000 0.961 272 R CA 0.292 56.443 56.100 0.086 0.000 0.881 272 R CB 1.609 32.015 30.300 0.176 0.000 1.159 272 R HN 0.900 nan 8.270 nan 0.000 0.450 273 G N 2.746 111.491 108.800 -0.092 0.000 2.496 273 G HA2 -0.262 3.698 3.960 0.000 0.000 0.243 273 G HA3 -0.262 3.698 3.960 0.000 0.000 0.243 273 G C -1.142 173.515 174.900 -0.406 0.000 1.176 273 G CA 0.089 45.091 45.100 -0.163 0.000 0.940 273 G HN 0.652 nan 8.290 nan 0.000 0.573 274 D N 1.850 122.156 120.400 -0.157 0.000 2.428 274 D HA 0.609 5.249 4.640 0.000 0.000 0.221 274 D C 1.487 177.756 176.300 -0.052 0.000 1.123 274 D CA 0.723 54.659 54.000 -0.106 0.000 0.869 274 D CB 0.730 41.727 40.800 0.327 0.000 1.032 274 D HN 0.897 nan 8.370 nan 0.000 0.506 275 A N 3.649 126.412 122.820 -0.095 0.000 2.084 275 A HA -0.141 4.179 4.320 0.000 0.000 0.221 275 A C 2.061 179.660 177.584 0.024 0.000 1.161 275 A CA 1.754 53.774 52.037 -0.028 0.000 0.653 275 A CB -0.241 18.743 19.000 -0.026 0.000 0.802 275 A HN 0.607 nan 8.150 nan 0.000 0.457 276 A N -0.425 122.433 122.820 0.064 0.000 2.070 276 A HA -0.011 4.309 4.320 0.000 0.000 0.220 276 A C 1.963 179.598 177.584 0.085 0.000 1.159 276 A CA 1.948 54.040 52.037 0.092 0.000 0.656 276 A CB -0.846 18.240 19.000 0.142 0.000 0.800 276 A HN 0.855 nan 8.150 nan 0.000 0.453 277 T N -3.154 111.446 114.554 0.077 0.000 3.248 277 T HA 0.471 4.821 4.350 0.000 0.000 0.271 277 T C 1.188 175.909 174.700 0.035 0.000 1.005 277 T CA -0.156 61.990 62.100 0.077 0.000 0.902 277 T CB -0.287 68.637 68.868 0.093 0.000 1.102 277 T HN 0.213 nan 8.240 nan 0.000 0.548 278 L N 0.678 121.911 121.223 0.017 0.000 1.970 278 L HA -0.106 4.234 4.340 0.000 0.000 0.212 278 L C 2.910 179.774 176.870 -0.010 0.000 1.071 278 L CA 1.889 56.726 54.840 -0.004 0.000 0.751 278 L CB -0.375 41.692 42.059 0.013 0.000 0.889 278 L HN 0.399 nan 8.230 nan 0.000 0.432 279 E N -0.750 119.447 120.200 -0.005 0.000 2.051 279 E HA -0.260 4.090 4.350 0.000 0.000 0.192 279 E C 2.030 178.565 176.600 -0.109 0.000 0.991 279 E CA 1.398 57.765 56.400 -0.056 0.000 0.799 279 E CB -0.190 29.472 29.700 -0.062 0.000 0.748 279 E HN 0.342 nan 8.360 nan 0.000 0.449 280 F N 1.637 121.458 119.950 -0.216 0.000 2.216 280 F HA -0.179 4.348 4.527 0.000 0.000 0.300 280 F C 2.256 177.951 175.800 -0.175 0.000 1.085 280 F CA 1.378 59.227 58.000 -0.252 0.000 1.326 280 F CB -0.205 38.683 39.000 -0.186 0.000 1.027 280 F HN -0.102 nan 8.300 nan 0.000 0.497 281 T N -0.347 114.143 114.554 -0.107 0.000 2.777 281 T HA -0.232 4.118 4.350 0.000 0.000 0.266 281 T C 1.747 176.380 174.700 -0.112 0.000 1.040 281 T CA 1.538 63.544 62.100 -0.157 0.000 1.141 281 T CB -0.289 68.497 68.868 -0.137 0.000 0.868 281 T HN 0.222 nan 8.240 nan 0.000 0.444 282 Q N 0.962 120.707 119.800 -0.093 0.000 2.030 282 Q HA -0.075 4.265 4.340 0.000 0.000 0.204 282 Q C 2.165 178.093 176.000 -0.119 0.000 0.986 282 Q CA 1.333 57.102 55.803 -0.057 0.000 0.843 282 Q CB -0.908 27.798 28.738 -0.052 0.000 0.904 282 Q HN 0.417 nan 8.270 nan 0.000 0.420 283 L N -0.147 120.935 121.223 -0.234 0.000 2.051 283 L HA -0.233 4.107 4.340 0.000 0.000 0.214 283 L C 2.182 178.903 176.870 -0.248 0.000 1.076 283 L CA 2.027 56.713 54.840 -0.256 0.000 0.758 283 L CB -1.031 40.800 42.059 -0.380 0.000 0.890 283 L HN 0.429 nan 8.230 nan 0.000 0.433 284 C N -0.545 118.536 119.300 -0.364 0.000 2.429 284 C HA -0.117 4.343 4.460 0.000 0.000 0.277 284 C C 2.710 177.731 174.990 0.052 0.000 1.262 284 C CA 0.890 59.761 59.018 -0.246 0.000 1.733 284 C CB -0.932 26.557 27.740 -0.418 0.000 2.010 284 C HN 0.607 nan 8.230 nan 0.000 0.483 285 I N 1.071 121.709 120.570 0.113 0.000 2.315 285 I HA -0.160 4.010 4.170 0.000 0.000 0.248 285 I C 1.883 178.012 176.117 0.020 0.000 1.117 285 I CA 1.450 62.822 61.300 0.120 0.000 1.404 285 I CB -0.602 37.457 38.000 0.098 0.000 1.071 285 I HN 0.292 nan 8.210 nan 0.000 0.419 286 D N 0.868 121.252 120.400 -0.025 0.000 2.264 286 D HA -0.067 4.573 4.640 0.000 0.000 0.208 286 D C 2.001 178.265 176.300 -0.061 0.000 0.966 286 D CA 1.072 55.038 54.000 -0.056 0.000 0.864 286 D CB -0.039 40.709 40.800 -0.085 0.000 0.933 286 D HN 0.335 nan 8.370 nan 0.000 0.499 287 L N -1.133 120.062 121.223 -0.047 0.000 2.592 287 L HA 0.274 4.614 4.340 0.000 0.000 0.227 287 L C 1.412 178.260 176.870 -0.038 0.000 1.127 287 L CA 0.315 55.127 54.840 -0.047 0.000 0.884 287 L CB 0.289 42.311 42.059 -0.062 0.000 1.065 287 L HN 0.137 nan 8.230 nan 0.000 0.457 288 G N -1.220 107.573 108.800 -0.011 0.000 2.192 288 G HA2 -0.273 3.687 3.960 0.000 0.000 0.193 288 G HA3 -0.273 3.687 3.960 0.000 0.000 0.193 288 G C -0.224 174.693 174.900 0.028 0.000 0.999 288 G CA -0.499 44.591 45.100 -0.016 0.000 0.659 288 G HN 0.244 nan 8.290 nan 0.000 0.503 289 W N 3.372 124.603 121.300 -0.114 0.000 2.216 289 W HA 0.661 5.321 4.660 0.000 0.000 0.326 289 W C 0.025 176.500 176.519 -0.073 0.000 1.319 289 W CA -0.696 56.590 57.345 -0.098 0.000 1.213 289 W CB 0.745 30.142 29.460 -0.104 0.000 1.171 289 W HN -0.107 nan 8.180 nan 0.000 0.557 290 K N 8.400 128.327 120.400 -0.788 0.000 2.262 290 K HA 0.251 4.571 4.320 0.000 0.000 0.282 290 K C -2.288 173.530 176.600 -1.302 0.000 1.066 290 K CA -2.065 53.767 56.287 -0.757 0.000 0.901 290 K CB 0.434 32.664 32.500 -0.450 0.000 1.089 290 K HN 0.346 nan 8.250 nan 0.000 0.476 291 P HA 0.192 nan 4.420 nan 0.000 0.271 291 P C -0.214 176.588 177.300 -0.830 0.000 1.216 291 P CA -0.158 62.325 63.100 -1.028 0.000 0.771 291 P CB 0.811 32.023 31.700 -0.813 0.000 0.864 292 R N 1.540 121.660 120.500 -0.634 0.000 2.397 292 R HA 0.131 4.472 4.340 0.000 0.000 0.241 292 R C 0.008 176.105 176.300 -0.338 0.000 0.914 292 R CA -0.306 55.599 56.100 -0.325 0.000 1.071 292 R CB -0.400 29.852 30.300 -0.079 0.000 1.116 292 R HN 0.400 nan 8.270 nan 0.000 0.524 293 Y N -0.313 119.491 120.300 -0.826 0.000 3.305 293 Y HA -0.290 4.260 4.550 0.000 0.000 0.214 293 Y C 0.944 176.645 175.900 -0.332 0.000 1.185 293 Y CA 0.679 58.176 58.100 -1.004 0.000 1.326 293 Y CB -1.962 36.145 38.460 -0.589 0.000 1.367 293 Y HN 0.222 nan 8.280 nan 0.000 0.588 294 G N -0.321 108.500 108.800 0.034 0.000 2.511 294 G HA2 0.457 4.417 3.960 0.000 0.000 0.316 294 G HA3 0.457 4.417 3.960 0.000 0.000 0.316 294 G C 0.629 175.636 174.900 0.178 0.000 1.210 294 G CA -0.448 44.735 45.100 0.137 0.000 0.969 294 G HN 0.348 nan 8.290 nan 0.000 0.492 295 R N -1.073 119.421 120.500 -0.009 0.000 2.210 295 R HA 0.174 4.514 4.340 0.000 0.000 0.203 295 R C -0.120 175.812 176.300 -0.614 0.000 1.010 295 R CA 0.576 56.505 56.100 -0.286 0.000 1.008 295 R CB 0.003 30.032 30.300 -0.451 0.000 0.923 295 R HN 0.351 nan 8.270 nan 0.000 0.469 296 F N 1.152 121.080 119.950 -0.037 0.000 2.577 296 F HA 0.317 4.844 4.527 0.000 0.000 0.342 296 F C -1.133 174.625 175.800 -0.069 0.000 1.479 296 F CA -1.302 56.412 58.000 -0.477 0.000 1.110 296 F CB 0.809 39.397 39.000 -0.687 0.000 1.306 296 F HN -0.227 nan 8.300 nan 0.000 0.554 297 D N 1.502 122.096 120.400 0.323 0.000 2.280 297 D HA 0.213 4.854 4.640 0.000 0.000 0.243 297 D C 0.172 176.751 176.300 0.466 0.000 1.129 297 D CA -0.038 54.216 54.000 0.423 0.000 0.848 297 D CB 2.532 43.638 40.800 0.510 0.000 1.107 297 D HN -0.062 nan 8.370 nan 0.000 0.471 298 V N 3.923 124.070 119.914 0.388 0.000 2.485 298 V HA -0.016 4.104 4.120 0.000 0.000 0.287 298 V C 1.057 177.167 176.094 0.027 0.000 1.022 298 V CA -0.228 62.170 62.300 0.163 0.000 1.067 298 V CB 0.019 31.886 31.823 0.074 0.000 0.967 298 V HN 0.349 nan 8.190 nan 0.000 0.479 299 L N 8.688 129.824 121.223 -0.145 0.000 2.467 299 L HA 0.251 4.591 4.340 0.000 0.000 0.270 299 L C -1.571 175.078 176.870 -0.367 0.000 1.205 299 L CA -1.126 53.460 54.840 -0.423 0.000 0.828 299 L CB 0.476 42.387 42.059 -0.246 0.000 1.101 299 L HN 0.477 nan 8.230 nan 0.000 0.479 300 P HA 0.181 nan 4.420 nan 0.000 0.278 300 P C -1.084 176.165 177.300 -0.086 0.000 1.266 300 P CA -0.536 62.384 63.100 -0.300 0.000 0.807 300 P CB 0.895 32.323 31.700 -0.453 0.000 1.094 301 L N 0.725 121.974 121.223 0.043 0.000 2.290 301 L HA 0.277 4.617 4.340 0.000 0.000 0.284 301 L C 0.138 177.096 176.870 0.147 0.000 1.078 301 L CA -0.812 54.101 54.840 0.122 0.000 0.815 301 L CB 1.134 43.298 42.059 0.176 0.000 1.162 301 L HN 0.077 nan 8.230 nan 0.000 0.435 302 V N 5.948 125.962 119.914 0.167 0.000 2.294 302 V HA 0.343 4.463 4.120 0.000 0.000 0.272 302 V C 0.121 176.225 176.094 0.017 0.000 1.027 302 V CA -0.307 62.035 62.300 0.070 0.000 0.823 302 V CB 1.052 32.959 31.823 0.141 0.000 1.030 302 V HN 0.499 nan 8.190 nan 0.000 0.457 303 L N 4.702 125.920 121.223 -0.008 0.000 2.317 303 L HA 0.640 4.980 4.340 0.000 0.000 0.281 303 L C -0.120 176.629 176.870 -0.201 0.000 1.024 303 L CA -0.395 54.406 54.840 -0.066 0.000 0.810 303 L CB 1.708 43.737 42.059 -0.051 0.000 1.240 303 L HN 0.578 nan 8.230 nan 0.000 0.427 304 Q N 2.728 122.408 119.800 -0.199 0.000 2.333 304 Q HA 0.721 5.061 4.340 0.000 0.000 0.268 304 Q C -1.476 174.333 176.000 -0.318 0.000 1.007 304 Q CA -0.589 55.062 55.803 -0.252 0.000 0.810 304 Q CB 2.106 30.780 28.738 -0.106 0.000 1.264 304 Q HN 0.794 nan 8.270 nan 0.000 0.452 305 A N 3.667 126.217 122.820 -0.449 0.000 2.342 305 A HA 0.457 4.778 4.320 0.000 0.000 0.323 305 A C -0.360 176.712 177.584 -0.854 0.000 1.125 305 A CA -0.282 51.179 52.037 -0.959 0.000 0.785 305 A CB 1.133 19.782 19.000 -0.584 0.000 1.221 305 A HN 0.990 nan 8.150 nan 0.000 0.463 306 D N 1.200 120.825 120.400 -1.291 0.000 2.686 306 D HA -0.121 4.519 4.640 0.000 0.000 0.235 306 D C 1.293 177.496 176.300 -0.162 0.000 1.160 306 D CA 2.683 56.453 54.000 -0.383 0.000 0.645 306 D CB -1.076 39.646 40.800 -0.131 0.000 1.039 306 D HN 2.086 nan 8.370 nan 0.000 0.423 307 G N -0.932 107.759 108.800 -0.183 0.000 2.196 307 G HA2 -0.397 3.563 3.960 0.000 0.000 0.268 307 G HA3 -0.397 3.563 3.960 0.000 0.000 0.268 307 G C 0.398 175.249 174.900 -0.082 0.000 0.975 307 G CA 0.853 45.880 45.100 -0.122 0.000 0.648 307 G HN 0.569 nan 8.290 nan 0.000 0.538 308 Q N 1.056 120.779 119.800 -0.128 0.000 2.492 308 Q HA 0.332 4.672 4.340 0.000 0.000 0.238 308 Q C 0.356 176.284 176.000 -0.121 0.000 1.045 308 Q CA -0.171 55.575 55.803 -0.094 0.000 0.934 308 Q CB 0.234 28.906 28.738 -0.110 0.000 1.276 308 Q HN 0.444 nan 8.270 nan 0.000 0.521 309 D N 2.209 122.547 120.400 -0.103 0.000 2.419 309 D HA 0.083 4.723 4.640 0.000 0.000 0.236 309 D C -2.066 173.968 176.300 -0.444 0.000 1.165 309 D CA -0.580 53.251 54.000 -0.283 0.000 0.882 309 D CB -0.022 40.742 40.800 -0.060 0.000 1.201 309 D HN 0.234 nan 8.370 nan 0.000 0.443 310 P HA 0.121 nan 4.420 nan 0.000 0.275 310 P C -0.818 176.247 177.300 -0.391 0.000 1.227 310 P CA -0.144 62.502 63.100 -0.757 0.000 0.781 310 P CB 0.879 31.672 31.700 -1.510 0.000 0.906 311 E N 0.851 120.910 120.200 -0.235 0.000 2.199 311 E HA 0.377 4.727 4.350 0.000 0.000 0.269 311 E C -0.689 175.791 176.600 -0.199 0.000 0.899 311 E CA -1.174 55.108 56.400 -0.196 0.000 0.772 311 E CB 2.053 31.688 29.700 -0.107 0.000 1.155 311 E HN 0.171 nan 8.360 nan 0.000 0.408 312 V N 3.598 123.286 119.914 -0.377 0.000 2.509 312 V HA 0.354 4.474 4.120 0.000 0.000 0.284 312 V C -0.655 175.081 176.094 -0.596 0.000 1.047 312 V CA -0.185 61.938 62.300 -0.296 0.000 0.952 312 V CB 0.126 31.834 31.823 -0.193 0.000 0.988 312 V HN 0.514 nan 8.190 nan 0.000 0.469 313 F N 1.839 121.641 119.950 -0.246 0.000 2.562 313 F HA 0.430 4.957 4.527 0.000 0.000 0.319 313 F C 0.396 176.056 175.800 -0.234 0.000 1.154 313 F CA -0.703 57.037 58.000 -0.433 0.000 0.931 313 F CB 1.566 40.020 39.000 -0.909 0.000 1.198 313 F HN 0.438 nan 8.300 nan 0.000 0.444 314 E N 3.613 123.820 120.200 0.012 0.000 2.354 314 E HA 0.328 4.678 4.350 0.000 0.000 0.269 314 E C -0.436 176.297 176.600 0.221 0.000 1.036 314 E CA -0.395 56.082 56.400 0.128 0.000 0.876 314 E CB 1.537 31.345 29.700 0.181 0.000 1.009 314 E HN 0.470 nan 8.360 nan 0.000 0.416 315 I N 4.429 125.125 120.570 0.210 0.000 2.396 315 I HA 0.097 4.267 4.170 0.000 0.000 0.289 315 I C -2.045 174.189 176.117 0.195 0.000 1.056 315 I CA -2.067 59.378 61.300 0.242 0.000 1.365 315 I CB 0.369 38.439 38.000 0.118 0.000 1.407 315 I HN 0.163 nan 8.210 nan 0.000 0.509 316 P HA 0.025 nan 4.420 nan 0.000 0.256 316 P C -1.969 175.389 177.300 0.096 0.000 1.189 316 P CA -0.702 62.486 63.100 0.146 0.000 0.808 316 P CB 0.090 31.860 31.700 0.117 0.000 0.793 317 P HA -0.238 nan 4.420 nan 0.000 0.218 317 P C 0.863 178.199 177.300 0.060 0.000 1.150 317 P CA 1.451 64.600 63.100 0.082 0.000 0.841 317 P CB -0.027 31.725 31.700 0.088 0.000 0.784 318 D N -1.241 119.190 120.400 0.052 0.000 2.309 318 D HA -0.069 4.571 4.640 0.000 0.000 0.212 318 D C 1.761 178.079 176.300 0.029 0.000 0.968 318 D CA 0.875 54.897 54.000 0.037 0.000 0.882 318 D CB -0.167 40.652 40.800 0.032 0.000 0.918 318 D HN 0.283 nan 8.370 nan 0.000 0.503 319 L N 0.368 121.609 121.223 0.030 0.000 2.446 319 L HA 0.037 4.377 4.340 0.000 0.000 0.219 319 L C 0.606 177.489 176.870 0.022 0.000 1.116 319 L CA 0.152 55.003 54.840 0.019 0.000 0.844 319 L CB 0.454 42.516 42.059 0.005 0.000 0.970 319 L HN -0.225 nan 8.230 nan 0.000 0.457 320 V N 2.277 122.208 119.914 0.027 0.000 2.353 320 V HA 0.116 4.236 4.120 0.000 0.000 0.264 320 V C 0.033 176.151 176.094 0.040 0.000 1.049 320 V CA -0.403 61.912 62.300 0.026 0.000 0.896 320 V CB 1.103 32.939 31.823 0.021 0.000 1.025 320 V HN 0.038 nan 8.190 nan 0.000 0.475 321 L N 6.184 127.434 121.223 0.046 0.000 2.305 321 L HA 0.534 4.874 4.340 0.000 0.000 0.281 321 L C 0.092 176.981 176.870 0.031 0.000 1.085 321 L CA 0.586 55.444 54.840 0.029 0.000 0.813 321 L CB 0.797 42.869 42.059 0.021 0.000 1.157 321 L HN 0.684 nan 8.230 nan 0.000 0.436 322 E N 3.179 123.373 120.200 -0.011 0.000 2.359 322 E HA 0.651 5.001 4.350 0.000 0.000 0.266 322 E C -1.533 174.979 176.600 -0.147 0.000 0.920 322 E CA -1.053 55.325 56.400 -0.037 0.000 0.788 322 E CB 2.526 32.237 29.700 0.018 0.000 1.279 322 E HN 0.363 nan 8.360 nan 0.000 0.438 323 V N 1.486 121.269 119.914 -0.217 0.000 2.483 323 V HA 0.264 4.384 4.120 0.000 0.000 0.297 323 V C -0.174 175.835 176.094 -0.141 0.000 1.027 323 V CA -0.873 61.247 62.300 -0.299 0.000 0.855 323 V CB 1.612 32.997 31.823 -0.729 0.000 0.995 323 V HN 0.852 nan 8.190 nan 0.000 0.424 324 T N 3.392 117.890 114.554 -0.094 0.000 2.869 324 T HA 0.522 4.872 4.350 0.000 0.000 0.295 324 T C -0.071 174.644 174.700 0.026 0.000 0.987 324 T CA -0.760 61.322 62.100 -0.031 0.000 1.109 324 T CB 0.822 69.679 68.868 -0.018 0.000 0.932 324 T HN 0.310 nan 8.240 nan 0.000 0.518 325 M N 3.196 122.864 119.600 0.113 0.000 2.146 325 M HA 0.390 4.870 4.480 0.000 0.000 0.352 325 M C 0.285 176.747 176.300 0.272 0.000 1.343 325 M CA 0.169 55.602 55.300 0.221 0.000 1.115 325 M CB -0.184 32.653 32.600 0.395 0.000 1.657 325 M HN 0.800 nan 8.290 nan 0.000 0.471 326 E N 0.942 121.238 120.200 0.160 0.000 2.392 326 E HA 0.434 4.784 4.350 0.000 0.000 0.269 326 E C -1.125 175.485 176.600 0.017 0.000 0.924 326 E CA -0.770 55.732 56.400 0.169 0.000 0.784 326 E CB 2.636 32.412 29.700 0.128 0.000 1.292 326 E HN 0.520 nan 8.360 nan 0.000 0.447 327 H N 2.228 121.223 119.070 -0.125 0.000 2.495 327 H HA 0.241 4.797 4.556 0.000 0.000 0.348 327 H C -2.020 173.105 175.328 -0.339 0.000 1.113 327 H CA -2.396 53.431 56.048 -0.367 0.000 1.195 327 H CB 1.975 31.411 29.762 -0.544 0.000 1.521 327 H HN 0.309 nan 8.280 nan 0.000 0.509 328 P HA -0.091 nan 4.420 nan 0.000 0.225 328 P C 0.471 177.631 177.300 -0.233 0.000 1.148 328 P CA 0.997 63.655 63.100 -0.738 0.000 0.779 328 P CB 0.806 31.901 31.700 -1.009 0.000 0.780 329 K N -1.285 119.155 120.400 0.068 0.000 2.485 329 K HA 0.136 4.456 4.320 0.000 0.000 0.200 329 K C 0.910 177.474 176.600 -0.061 0.000 1.344 329 K CA 0.248 56.496 56.287 -0.064 0.000 0.948 329 K CB -0.326 32.058 32.500 -0.194 0.000 1.454 329 K HN 0.253 nan 8.250 nan 0.000 0.502 330 Y N 3.020 123.112 120.300 -0.347 0.000 2.587 330 Y HA 0.040 4.590 4.550 0.000 0.000 0.344 330 Y C 1.366 176.959 175.900 -0.511 0.000 1.061 330 Y CA -0.392 57.293 58.100 -0.691 0.000 1.370 330 Y CB 0.471 38.060 38.460 -1.453 0.000 1.163 330 Y HN 0.117 nan 8.280 nan 0.000 0.527 331 E N 4.049 124.180 120.200 -0.115 0.000 2.208 331 E HA -0.163 4.187 4.350 0.000 0.000 0.193 331 E C 1.466 178.093 176.600 0.046 0.000 0.988 331 E CA 0.849 57.253 56.400 0.008 0.000 0.828 331 E CB -0.037 29.715 29.700 0.087 0.000 0.763 331 E HN 0.851 nan 8.360 nan 0.000 0.478 332 W N -0.192 121.196 121.300 0.147 0.000 2.825 332 W HA -0.017 4.643 4.660 0.000 0.000 0.243 332 W C 1.226 177.802 176.519 0.095 0.000 1.293 332 W CA -0.191 57.202 57.345 0.081 0.000 1.403 332 W CB -0.811 28.652 29.460 0.005 0.000 1.134 332 W HN -0.034 nan 8.180 nan 0.000 0.666 333 F N 3.330 123.110 119.950 -0.283 0.000 2.171 333 F HA -0.282 4.245 4.527 0.000 0.000 0.300 333 F C 2.715 178.546 175.800 0.051 0.000 1.090 333 F CA 2.888 60.800 58.000 -0.146 0.000 1.293 333 F CB -0.257 38.601 39.000 -0.237 0.000 1.013 333 F HN -0.053 nan 8.300 nan 0.000 0.486 334 Q N 0.026 119.965 119.800 0.231 0.000 2.291 334 Q HA -0.193 4.147 4.340 0.000 0.000 0.206 334 Q C 1.457 177.524 176.000 0.113 0.000 0.976 334 Q CA 1.915 57.823 55.803 0.175 0.000 0.875 334 Q CB -1.009 27.813 28.738 0.141 0.000 0.927 334 Q HN 0.458 nan 8.270 nan 0.000 0.450 335 E N 0.577 120.850 120.200 0.123 0.000 2.409 335 E HA -0.044 4.306 4.350 0.000 0.000 0.198 335 E C 1.522 178.158 176.600 0.061 0.000 1.024 335 E CA 0.573 57.036 56.400 0.105 0.000 0.861 335 E CB -0.103 29.686 29.700 0.148 0.000 0.788 335 E HN 0.442 nan 8.360 nan 0.000 0.521 336 L N -0.396 120.829 121.223 0.003 0.000 2.291 336 L HA 0.022 4.362 4.340 0.000 0.000 0.214 336 L C 1.443 178.319 176.870 0.009 0.000 1.120 336 L CA 0.538 55.342 54.840 -0.060 0.000 0.799 336 L CB -0.371 41.523 42.059 -0.276 0.000 0.925 336 L HN 0.252 nan 8.230 nan 0.000 0.446 337 G N 1.028 109.857 108.800 0.049 0.000 2.246 337 G HA2 -0.266 3.694 3.960 0.000 0.000 0.273 337 G HA3 -0.266 3.694 3.960 0.000 0.000 0.273 337 G C -0.061 174.943 174.900 0.173 0.000 1.055 337 G CA -0.070 45.098 45.100 0.112 0.000 0.851 337 G HN 0.226 nan 8.290 nan 0.000 0.500 338 L N -0.666 120.601 121.223 0.073 0.000 2.344 338 L HA 0.842 5.182 4.340 0.000 0.000 0.272 338 L C 0.585 177.394 176.870 -0.102 0.000 1.035 338 L CA -0.751 54.093 54.840 0.008 0.000 0.807 338 L CB 1.824 43.785 42.059 -0.163 0.000 1.237 338 L HN 0.510 nan 8.230 nan 0.000 0.442 339 K N 0.477 120.655 120.400 -0.369 0.000 2.571 339 K HA 0.548 4.868 4.320 0.000 0.000 0.289 339 K C -1.982 174.622 176.600 0.007 0.000 1.028 339 K CA -1.060 55.099 56.287 -0.214 0.000 0.895 339 K CB 2.331 34.611 32.500 -0.368 0.000 1.534 339 K HN 0.573 nan 8.250 nan 0.000 0.421 340 W N 1.401 122.635 121.300 -0.110 0.000 3.146 340 W HA 0.320 4.980 4.660 0.000 0.000 0.319 340 W C -1.369 175.134 176.519 -0.028 0.000 1.258 340 W CA -0.768 56.558 57.345 -0.031 0.000 1.189 340 W CB 1.581 30.907 29.460 -0.225 0.000 1.412 340 W HN 0.689 nan 8.180 nan 0.000 0.567 341 Y N 0.799 120.962 120.300 -0.228 0.000 2.300 341 Y HA 0.568 5.118 4.550 0.000 0.000 0.328 341 Y C 0.755 176.811 175.900 0.261 0.000 1.270 341 Y CA -0.075 57.988 58.100 -0.061 0.000 1.352 341 Y CB 0.183 38.506 38.460 -0.228 0.000 1.286 341 Y HN 0.329 nan 8.280 nan 0.000 0.536 342 A N 1.805 124.826 122.820 0.336 0.000 2.132 342 A HA 0.162 4.482 4.320 0.000 0.000 0.213 342 A C 0.287 178.203 177.584 0.552 0.000 1.154 342 A CA 0.050 52.364 52.037 0.462 0.000 0.753 342 A CB -0.224 18.899 19.000 0.206 0.000 0.826 342 A HN 0.639 nan 8.150 nan 0.000 0.469 343 L N 2.034 123.542 121.223 0.474 0.000 2.262 343 L HA 0.420 4.760 4.340 0.000 0.000 0.288 343 L C -2.558 174.468 176.870 0.259 0.000 1.035 343 L CA -2.150 52.876 54.840 0.310 0.000 0.820 343 L CB 1.443 43.609 42.059 0.179 0.000 1.204 343 L HN -0.054 nan 8.230 nan 0.000 0.424 344 P HA 0.335 nan 4.420 nan 0.000 0.273 344 P C -1.388 175.810 177.300 -0.170 0.000 1.531 344 P CA -0.280 62.624 63.100 -0.326 0.000 1.027 344 P CB 1.107 32.247 31.700 -0.934 0.000 1.387 345 A N 4.201 126.949 122.820 -0.120 0.000 2.311 345 A HA 0.470 4.790 4.320 0.000 0.000 0.306 345 A C -0.231 177.182 177.584 -0.286 0.000 1.189 345 A CA -0.702 51.216 52.037 -0.198 0.000 0.791 345 A CB 1.183 20.064 19.000 -0.198 0.000 1.172 345 A HN 0.275 nan 8.150 nan 0.000 0.481 346 V N 2.460 122.092 119.914 -0.470 0.000 2.455 346 V HA 0.387 4.507 4.120 0.000 0.000 0.273 346 V C 1.158 176.855 176.094 -0.662 0.000 1.045 346 V CA 0.920 62.866 62.300 -0.590 0.000 0.976 346 V CB 0.943 32.242 31.823 -0.873 0.000 0.993 346 V HN 1.107 nan 8.190 nan 0.000 0.475 347 A N 4.127 126.719 122.820 -0.380 0.000 2.324 347 A HA 0.138 4.458 4.320 0.000 0.000 0.220 347 A C 1.246 178.741 177.584 -0.150 0.000 1.209 347 A CA 0.352 52.233 52.037 -0.261 0.000 0.918 347 A CB -0.130 18.768 19.000 -0.170 0.000 0.959 347 A HN 0.913 nan 8.150 nan 0.000 0.507 348 N N -1.206 117.411 118.700 -0.139 0.000 2.238 348 N HA 0.303 5.043 4.740 0.000 0.000 0.222 348 N C 0.142 175.660 175.510 0.014 0.000 1.133 348 N CA -0.249 52.771 53.050 -0.051 0.000 0.854 348 N CB 0.163 38.612 38.487 -0.064 0.000 1.041 348 N HN 0.294 nan 8.380 nan 0.000 0.510 349 M N 1.141 120.749 119.600 0.013 0.000 2.494 349 M HA 0.373 4.853 4.480 0.000 0.000 0.300 349 M C -0.652 175.788 176.300 0.234 0.000 1.189 349 M CA -0.889 54.503 55.300 0.155 0.000 0.982 349 M CB 2.221 34.934 32.600 0.189 0.000 1.534 349 M HN 0.123 nan 8.290 nan 0.000 0.488 350 L N 2.269 123.677 121.223 0.309 0.000 2.322 350 L HA 0.561 4.901 4.340 0.000 0.000 0.281 350 L C -1.501 175.624 176.870 0.425 0.000 1.014 350 L CA -1.045 53.994 54.840 0.331 0.000 0.815 350 L CB 1.434 43.644 42.059 0.250 0.000 1.247 350 L HN 0.589 nan 8.230 nan 0.000 0.421 351 L N 4.973 126.448 121.223 0.421 0.000 2.265 351 L HA 0.449 4.789 4.340 0.000 0.000 0.288 351 L C -0.392 176.659 176.870 0.301 0.000 1.058 351 L CA 0.376 55.407 54.840 0.317 0.000 0.809 351 L CB 1.012 43.223 42.059 0.252 0.000 1.179 351 L HN 0.634 nan 8.230 nan 0.000 0.429 352 E N 4.923 125.255 120.200 0.219 0.000 2.151 352 E HA 0.491 4.841 4.350 0.000 0.000 0.275 352 E C -1.852 174.789 176.600 0.067 0.000 0.936 352 E CA -0.399 56.118 56.400 0.195 0.000 0.777 352 E CB 1.845 31.748 29.700 0.338 0.000 1.108 352 E HN 0.526 nan 8.360 nan 0.000 0.401 353 V N 3.233 123.157 119.914 0.017 0.000 2.752 353 V HA 0.489 4.609 4.120 0.000 0.000 0.302 353 V C 0.347 176.356 176.094 -0.142 0.000 1.133 353 V CA 0.412 62.618 62.300 -0.156 0.000 0.919 353 V CB 1.389 33.007 31.823 -0.342 0.000 1.026 353 V HN 0.861 nan 8.190 nan 0.000 0.429 354 G N 4.400 113.168 108.800 -0.054 0.000 2.422 354 G HA2 0.064 4.024 3.960 0.000 0.000 0.301 354 G HA3 0.064 4.024 3.960 0.000 0.000 0.301 354 G C 1.595 176.658 174.900 0.271 0.000 0.981 354 G CA 1.555 46.779 45.100 0.207 0.000 0.994 354 G HN 2.726 nan 8.290 nan 0.000 0.514 355 G N -1.881 107.005 108.800 0.144 0.000 2.268 355 G HA2 -0.259 3.701 3.960 0.000 0.000 0.240 355 G HA3 -0.259 3.701 3.960 0.000 0.000 0.240 355 G C 0.617 175.559 174.900 0.070 0.000 1.010 355 G CA 0.436 45.634 45.100 0.163 0.000 0.618 355 G HN 1.256 nan 8.290 nan 0.000 0.516 356 L N 0.821 122.050 121.223 0.009 0.000 2.436 356 L HA 0.590 4.930 4.340 0.000 0.000 0.265 356 L C 0.418 177.191 176.870 -0.161 0.000 1.168 356 L CA -0.064 54.679 54.840 -0.162 0.000 0.815 356 L CB 0.789 42.662 42.059 -0.309 0.000 1.109 356 L HN 0.231 nan 8.230 nan 0.000 0.462 357 E N 1.905 121.926 120.200 -0.299 0.000 2.224 357 E HA 0.385 4.735 4.350 0.000 0.000 0.265 357 E C -1.582 174.821 176.600 -0.329 0.000 0.878 357 E CA -0.425 55.874 56.400 -0.169 0.000 0.759 357 E CB 1.861 31.510 29.700 -0.086 0.000 1.164 357 E HN 0.250 nan 8.360 nan 0.000 0.414 358 F N 3.436 123.414 119.950 0.047 0.000 2.311 358 F HA 0.307 4.834 4.527 0.000 0.000 0.371 358 F C -1.783 174.093 175.800 0.127 0.000 1.083 358 F CA -2.249 55.796 58.000 0.075 0.000 1.113 358 F CB 1.333 40.370 39.000 0.062 0.000 1.349 358 F HN 0.358 nan 8.300 nan 0.000 0.470 359 P HA -0.051 nan 4.420 nan 0.000 0.228 359 P C -0.169 177.272 177.300 0.235 0.000 1.151 359 P CA 0.706 63.924 63.100 0.197 0.000 0.770 359 P CB 0.435 32.223 31.700 0.147 0.000 0.786 360 A N 0.049 123.061 122.820 0.321 0.000 2.411 360 A HA 0.571 4.891 4.320 0.000 0.000 0.285 360 A C -0.483 177.361 177.584 0.433 0.000 1.129 360 A CA -0.458 51.795 52.037 0.360 0.000 0.736 360 A CB 0.392 19.619 19.000 0.378 0.000 1.186 360 A HN 0.236 nan 8.150 nan 0.000 0.445 361 C N 1.149 120.633 119.300 0.308 0.000 3.238 361 C HA 0.519 4.980 4.460 0.000 0.000 0.308 361 C C -2.982 172.095 174.990 0.144 0.000 0.971 361 C CA -1.443 57.709 59.018 0.224 0.000 1.207 361 C CB 0.001 27.877 27.740 0.227 0.000 1.696 361 C HN 0.592 nan 8.230 nan 0.000 0.609 362 P HA 0.462 nan 4.420 nan 0.000 0.271 362 P C -0.681 176.605 177.300 -0.024 0.000 1.216 362 P CA 0.714 63.724 63.100 -0.151 0.000 0.776 362 P CB 0.755 32.366 31.700 -0.148 0.000 0.881 363 F N 0.184 120.056 119.950 -0.130 0.000 2.626 363 F HA 0.687 5.214 4.527 0.000 0.000 0.311 363 F C -0.792 174.901 175.800 -0.180 0.000 1.088 363 F CA -1.135 56.789 58.000 -0.126 0.000 0.949 363 F CB 1.702 40.479 39.000 -0.371 0.000 1.322 363 F HN 0.382 nan 8.300 nan 0.000 0.461 364 N N -0.210 118.564 118.700 0.123 0.000 2.591 364 N HA 0.696 5.436 4.740 0.000 0.000 0.263 364 N C -1.269 174.155 175.510 -0.142 0.000 1.308 364 N CA -0.417 52.624 53.050 -0.014 0.000 0.837 364 N CB 1.908 40.428 38.487 0.055 0.000 1.548 364 N HN 1.061 nan 8.380 nan 0.000 0.493 365 G N -0.686 107.990 108.800 -0.207 0.000 3.340 365 G HA2 0.673 4.633 3.960 0.000 0.000 0.176 365 G HA3 0.673 4.633 3.960 0.000 0.000 0.176 365 G C -1.717 173.124 174.900 -0.098 0.000 1.103 365 G CA -0.621 44.275 45.100 -0.341 0.000 0.779 365 G HN 0.696 nan 8.290 nan 0.000 0.673 366 W N -1.554 119.738 121.300 -0.014 0.000 2.962 366 W HA 0.811 5.471 4.660 0.000 0.000 0.341 366 W C -1.361 175.146 176.519 -0.019 0.000 1.155 366 W CA -2.231 55.121 57.345 0.012 0.000 1.165 366 W CB 0.335 29.836 29.460 0.069 0.000 1.435 366 W HN 0.414 nan 8.180 nan 0.000 0.546 367 Y N 2.312 122.780 120.300 0.280 0.000 2.511 367 Y HA 0.209 4.759 4.550 0.000 0.000 0.347 367 Y C 0.708 176.637 175.900 0.048 0.000 1.257 367 Y CA -0.173 57.970 58.100 0.071 0.000 1.469 367 Y CB 0.856 39.259 38.460 -0.096 0.000 1.353 367 Y HN 0.469 nan 8.280 nan 0.000 0.617 368 M N 1.925 121.656 119.600 0.219 0.000 2.181 368 M HA 0.360 4.840 4.480 0.000 0.000 0.323 368 M C 1.012 177.273 176.300 -0.065 0.000 1.004 368 M CA -0.207 55.139 55.300 0.076 0.000 0.941 368 M CB 1.414 34.045 32.600 0.053 0.000 1.579 368 M HN 0.823 nan 8.290 nan 0.000 0.427 369 G N 1.717 110.422 108.800 -0.158 0.000 2.597 369 G HA2 -0.341 3.619 3.960 0.000 0.000 0.222 369 G HA3 -0.341 3.619 3.960 0.000 0.000 0.222 369 G C 1.121 175.829 174.900 -0.321 0.000 1.135 369 G CA 1.985 46.912 45.100 -0.288 0.000 0.759 369 G HN 0.868 nan 8.290 nan 0.000 0.595 370 T N -0.983 113.398 114.554 -0.289 0.000 2.929 370 T HA -0.029 4.321 4.350 0.000 0.000 0.271 370 T C 1.915 176.423 174.700 -0.320 0.000 1.085 370 T CA 1.640 63.528 62.100 -0.353 0.000 1.125 370 T CB -0.246 68.349 68.868 -0.455 0.000 0.874 370 T HN 0.557 nan 8.240 nan 0.000 0.494 371 E N 0.863 120.898 120.200 -0.275 0.000 2.077 371 E HA -0.018 4.332 4.350 0.000 0.000 0.193 371 E C 2.073 178.380 176.600 -0.487 0.000 0.989 371 E CA 1.311 57.564 56.400 -0.245 0.000 0.800 371 E CB -0.241 29.466 29.700 0.010 0.000 0.746 371 E HN 0.593 nan 8.360 nan 0.000 0.452 372 I N 0.324 120.439 120.570 -0.758 0.000 2.364 372 I HA -0.047 4.123 4.170 0.000 0.000 0.241 372 I C 2.617 178.099 176.117 -1.058 0.000 1.082 372 I CA 0.875 61.419 61.300 -1.260 0.000 1.401 372 I CB -0.538 36.612 38.000 -1.417 0.000 1.126 372 I HN 0.095 nan 8.210 nan 0.000 0.429 373 G N 0.666 109.090 108.800 -0.627 0.000 2.442 373 G HA2 -0.147 3.813 3.960 0.000 0.000 0.219 373 G HA3 -0.147 3.813 3.960 0.000 0.000 0.219 373 G C 1.586 176.399 174.900 -0.144 0.000 1.141 373 G CA 1.220 46.160 45.100 -0.265 0.000 0.763 373 G HN 0.245 nan 8.290 nan 0.000 0.554 374 V N 0.004 119.782 119.914 -0.227 0.000 2.521 374 V HA 0.093 4.213 4.120 0.000 0.000 0.239 374 V C 2.761 178.778 176.094 -0.128 0.000 1.053 374 V CA 0.856 63.067 62.300 -0.149 0.000 1.073 374 V CB -0.204 31.503 31.823 -0.192 0.000 0.746 374 V HN 0.113 nan 8.190 nan 0.000 0.476 375 R N 0.766 121.151 120.500 -0.193 0.000 2.051 375 R HA -0.020 4.320 4.340 0.000 0.000 0.225 375 R C 1.978 178.216 176.300 -0.105 0.000 1.155 375 R CA 1.501 57.518 56.100 -0.138 0.000 0.945 375 R CB -1.200 29.008 30.300 -0.153 0.000 0.840 375 R HN 0.456 nan 8.270 nan 0.000 0.432 376 D N 0.606 120.839 120.400 -0.277 0.000 2.106 376 D HA -0.150 4.490 4.640 0.000 0.000 0.191 376 D C 1.903 178.250 176.300 0.080 0.000 0.997 376 D CA 1.242 55.071 54.000 -0.285 0.000 0.834 376 D CB -0.219 39.857 40.800 -1.206 0.000 0.956 376 D HN 0.093 nan 8.370 nan 0.000 0.448 377 F N 0.206 120.070 119.950 -0.144 0.000 2.335 377 F HA 0.029 4.556 4.527 0.000 0.000 0.296 377 F C 2.398 178.249 175.800 0.086 0.000 1.091 377 F CA -0.205 57.808 58.000 0.022 0.000 1.399 377 F CB -0.677 38.316 39.000 -0.010 0.000 1.067 377 F HN 0.047 nan 8.300 nan 0.000 0.520 378 C N -1.356 118.073 119.300 0.215 0.000 3.065 378 C HA 0.197 4.657 4.460 0.000 0.000 0.285 378 C C 0.439 175.485 174.990 0.093 0.000 1.257 378 C CA -0.704 58.398 59.018 0.141 0.000 1.691 378 C CB -0.570 27.221 27.740 0.085 0.000 2.089 378 C HN 0.065 nan 8.230 nan 0.000 0.630 379 D N 1.958 122.406 120.400 0.080 0.000 2.488 379 D HA 0.069 4.709 4.640 0.000 0.000 0.238 379 D C 1.566 177.916 176.300 0.083 0.000 1.138 379 D CA 0.517 54.553 54.000 0.059 0.000 0.873 379 D CB 1.043 41.874 40.800 0.052 0.000 1.183 379 D HN 0.428 nan 8.370 nan 0.000 0.458 380 T N -0.140 114.451 114.554 0.062 0.000 2.833 380 T HA -0.254 4.096 4.350 0.000 0.000 0.269 380 T C 1.340 176.077 174.700 0.062 0.000 1.054 380 T CA 0.857 62.997 62.100 0.065 0.000 1.135 380 T CB -0.052 68.847 68.868 0.053 0.000 0.869 380 T HN 0.482 nan 8.240 nan 0.000 0.466 381 Q N 1.067 120.902 119.800 0.058 0.000 2.282 381 Q HA 0.194 4.534 4.340 0.000 0.000 0.205 381 Q C 0.614 176.652 176.000 0.063 0.000 0.915 381 Q CA -0.137 55.698 55.803 0.052 0.000 0.949 381 Q CB 0.119 28.886 28.738 0.049 0.000 1.035 381 Q HN 0.388 nan 8.270 nan 0.000 0.484 382 R N -0.573 119.981 120.500 0.091 0.000 3.066 382 R HA 0.261 4.601 4.340 0.000 0.000 0.143 382 R C 1.211 177.568 176.300 0.096 0.000 1.187 382 R CA -0.534 55.650 56.100 0.139 0.000 0.722 382 R CB -1.058 29.389 30.300 0.245 0.000 1.366 382 R HN 0.047 nan 8.270 nan 0.000 0.421 383 Y N 1.666 122.106 120.300 0.233 0.000 2.497 383 Y HA -0.098 4.452 4.550 0.000 0.000 0.292 383 Y C 0.695 176.682 175.900 0.146 0.000 1.137 383 Y CA 0.963 59.198 58.100 0.224 0.000 1.285 383 Y CB -0.517 38.161 38.460 0.362 0.000 0.991 383 Y HN 0.527 nan 8.280 nan 0.000 0.556 384 N N 0.912 119.757 118.700 0.242 0.000 2.678 384 N HA -0.237 4.503 4.740 0.000 0.000 0.268 384 N C 0.347 175.947 175.510 0.150 0.000 1.010 384 N CA 0.808 53.956 53.050 0.164 0.000 0.784 384 N CB -1.200 37.351 38.487 0.106 0.000 0.905 384 N HN 0.664 nan 8.380 nan 0.000 0.552 385 I N -2.724 117.946 120.570 0.166 0.000 3.883 385 I HA 0.134 4.304 4.170 0.000 0.000 0.326 385 I C 1.542 177.742 176.117 0.139 0.000 1.283 385 I CA -0.436 60.932 61.300 0.113 0.000 1.161 385 I CB -0.082 37.942 38.000 0.040 0.000 1.012 385 I HN 0.197 nan 8.210 nan 0.000 0.421 386 L N 2.007 123.335 121.223 0.174 0.000 1.990 386 L HA -0.236 4.104 4.340 0.000 0.000 0.213 386 L C 2.562 179.642 176.870 0.350 0.000 1.072 386 L CA 2.414 57.392 54.840 0.229 0.000 0.755 386 L CB -0.696 41.460 42.059 0.163 0.000 0.889 386 L HN 0.529 nan 8.230 nan 0.000 0.432 387 E N -1.079 119.308 120.200 0.312 0.000 2.072 387 E HA -0.292 4.058 4.350 0.000 0.000 0.191 387 E C 2.054 178.660 176.600 0.011 0.000 0.985 387 E CA 1.139 57.654 56.400 0.190 0.000 0.801 387 E CB -0.082 29.668 29.700 0.084 0.000 0.750 387 E HN 0.550 nan 8.360 nan 0.000 0.452 388 E N 0.293 120.504 120.200 0.019 0.000 2.038 388 E HA -0.186 4.164 4.350 0.000 0.000 0.195 388 E C 2.001 178.559 176.600 -0.069 0.000 1.000 388 E CA 1.911 58.280 56.400 -0.051 0.000 0.803 388 E CB -0.392 29.289 29.700 -0.032 0.000 0.750 388 E HN 0.190 nan 8.360 nan 0.000 0.448 389 V N 0.426 120.370 119.914 0.050 0.000 2.392 389 V HA -0.206 3.914 4.120 0.000 0.000 0.249 389 V C 2.316 178.473 176.094 0.105 0.000 1.059 389 V CA 1.915 64.305 62.300 0.150 0.000 1.051 389 V CB -1.171 30.842 31.823 0.316 0.000 0.658 389 V HN 0.516 nan 8.190 nan 0.000 0.455 390 G N -0.313 108.571 108.800 0.140 0.000 2.418 390 G HA2 -0.223 3.737 3.960 0.000 0.000 0.217 390 G HA3 -0.223 3.737 3.960 0.000 0.000 0.217 390 G C 1.766 176.574 174.900 -0.155 0.000 1.158 390 G CA 0.608 45.772 45.100 0.107 0.000 0.771 390 G HN 0.427 nan 8.290 nan 0.000 0.545 391 R N -0.000 120.349 120.500 -0.251 0.000 2.066 391 R HA 0.038 4.378 4.340 0.000 0.000 0.232 391 R C 2.628 178.707 176.300 -0.368 0.000 1.131 391 R CA 0.902 56.816 56.100 -0.310 0.000 0.955 391 R CB -0.258 29.872 30.300 -0.283 0.000 0.851 391 R HN 0.247 nan 8.270 nan 0.000 0.432 392 R N 0.058 120.248 120.500 -0.516 0.000 2.328 392 R HA 0.021 4.361 4.340 0.000 0.000 0.207 392 R C 1.676 177.461 176.300 -0.858 0.000 1.056 392 R CA 0.728 56.270 56.100 -0.930 0.000 1.016 392 R CB 0.024 29.321 30.300 -1.672 0.000 0.872 392 R HN 0.261 nan 8.270 nan 0.000 0.471 393 M N -1.060 118.288 119.600 -0.420 0.000 2.441 393 M HA 0.146 4.627 4.480 0.000 0.000 0.244 393 M C 0.878 177.090 176.300 -0.147 0.000 1.122 393 M CA 0.431 55.608 55.300 -0.206 0.000 1.041 393 M CB 1.018 33.626 32.600 0.014 0.000 1.438 393 M HN 0.394 nan 8.290 nan 0.000 0.484 394 G N 1.503 110.189 108.800 -0.189 0.000 2.159 394 G HA2 -0.236 3.724 3.960 0.000 0.000 0.256 394 G HA3 -0.236 3.724 3.960 0.000 0.000 0.256 394 G C 0.131 174.972 174.900 -0.098 0.000 0.977 394 G CA -0.139 44.878 45.100 -0.139 0.000 0.652 394 G HN 0.388 nan 8.290 nan 0.000 0.531 395 L N -0.035 121.136 121.223 -0.086 0.000 2.476 395 L HA 0.353 4.693 4.340 0.000 0.000 0.264 395 L C 0.913 177.684 176.870 -0.166 0.000 1.224 395 L CA -0.226 54.588 54.840 -0.044 0.000 0.821 395 L CB 0.277 42.385 42.059 0.082 0.000 1.101 395 L HN 0.175 nan 8.230 nan 0.000 0.488 396 E N 0.067 120.197 120.200 -0.116 0.000 1.892 396 E HA 0.010 4.360 4.350 0.000 0.000 0.271 396 E C 0.750 177.042 176.600 -0.514 0.000 1.146 396 E CA -0.073 56.215 56.400 -0.186 0.000 1.096 396 E CB 0.158 29.843 29.700 -0.024 0.000 1.155 396 E HN 0.629 nan 8.360 nan 0.000 0.458 397 T N -1.410 112.555 114.554 -0.982 0.000 3.155 397 T HA -0.111 4.239 4.350 0.000 0.000 0.264 397 T C 0.909 174.919 174.700 -1.150 0.000 1.160 397 T CA 0.640 61.581 62.100 -1.933 0.000 1.075 397 T CB -0.045 67.760 68.868 -1.771 0.000 0.921 397 T HN 0.410 nan 8.240 nan 0.000 0.533 398 H N 0.231 119.080 119.070 -0.368 0.000 2.652 398 H HA 0.277 4.833 4.556 0.000 0.000 0.274 398 H C -0.038 175.295 175.328 0.009 0.000 1.021 398 H CA 0.061 56.033 56.048 -0.126 0.000 1.187 398 H CB 0.735 30.431 29.762 -0.111 0.000 1.505 398 H HN 0.352 nan 8.280 nan 0.000 0.530 399 T N 2.124 116.760 114.554 0.137 0.000 2.934 399 T HA 0.222 4.572 4.350 0.000 0.000 0.328 399 T C 1.502 176.391 174.700 0.314 0.000 1.068 399 T CA -0.345 61.868 62.100 0.188 0.000 1.018 399 T CB 1.466 70.414 68.868 0.133 0.000 1.009 399 T HN 0.077 nan 8.240 nan 0.000 0.471 400 L N 1.912 123.306 121.223 0.285 0.000 2.043 400 L HA -0.179 4.161 4.340 0.000 0.000 0.212 400 L C 2.778 179.734 176.870 0.142 0.000 1.075 400 L CA 1.562 56.541 54.840 0.233 0.000 0.752 400 L CB -0.420 41.716 42.059 0.129 0.000 0.891 400 L HN 0.745 nan 8.230 nan 0.000 0.432 401 A N -0.440 122.452 122.820 0.120 0.000 2.186 401 A HA -0.184 4.136 4.320 0.000 0.000 0.219 401 A C 2.330 179.972 177.584 0.096 0.000 1.159 401 A CA 1.589 53.676 52.037 0.084 0.000 0.680 401 A CB -0.544 18.498 19.000 0.070 0.000 0.787 401 A HN 0.588 nan 8.150 nan 0.000 0.467 402 S N -0.665 115.128 115.700 0.155 0.000 2.561 402 S HA 0.138 4.608 4.470 0.000 0.000 0.225 402 S C 0.865 175.554 174.600 0.149 0.000 0.977 402 S CA 0.591 58.888 58.200 0.161 0.000 0.926 402 S CB -0.725 62.602 63.200 0.212 0.000 0.769 402 S HN 0.858 nan 8.310 nan 0.000 0.533 403 L N 0.384 121.665 121.223 0.095 0.000 3.865 403 L HA -0.175 4.165 4.340 0.000 0.000 0.408 403 L C 1.637 178.516 176.870 0.016 0.000 1.209 403 L CA 0.764 55.604 54.840 -0.000 0.000 0.940 403 L CB -2.660 39.410 42.059 0.018 0.000 1.971 403 L HN 0.748 nan 8.230 nan 0.000 0.899 404 W N 0.382 121.696 121.300 0.023 0.000 2.363 404 W HA -0.135 4.525 4.660 0.000 0.000 0.296 404 W C 1.696 178.237 176.519 0.036 0.000 1.212 404 W CA 1.346 58.705 57.345 0.023 0.000 1.260 404 W CB -0.743 28.716 29.460 -0.002 0.000 1.131 404 W HN 0.277 nan 8.180 nan 0.000 0.530 405 K N 0.982 120.852 120.400 -0.883 0.000 2.097 405 K HA -0.151 4.169 4.320 0.000 0.000 0.206 405 K C 1.467 177.909 176.600 -0.263 0.000 1.049 405 K CA 2.176 57.996 56.287 -0.780 0.000 0.933 405 K CB -0.345 31.571 32.500 -0.974 0.000 0.717 405 K HN 0.059 nan 8.250 nan 0.000 0.442 406 D N 0.429 120.718 120.400 -0.185 0.000 2.117 406 D HA -0.104 4.536 4.640 0.000 0.000 0.197 406 D C 1.944 178.254 176.300 0.017 0.000 0.987 406 D CA 1.108 55.069 54.000 -0.066 0.000 0.829 406 D CB 0.046 40.821 40.800 -0.042 0.000 0.961 406 D HN 0.100 nan 8.370 nan 0.000 0.460 407 R N 0.370 120.907 120.500 0.062 0.000 2.075 407 R HA 0.048 4.388 4.340 0.000 0.000 0.232 407 R C 2.264 178.673 176.300 0.182 0.000 1.126 407 R CA 1.125 57.303 56.100 0.131 0.000 0.963 407 R CB -0.242 30.156 30.300 0.164 0.000 0.858 407 R HN 0.132 nan 8.270 nan 0.000 0.435 408 A N 0.554 123.496 122.820 0.203 0.000 1.858 408 A HA -0.138 4.183 4.320 0.000 0.000 0.216 408 A C 2.266 179.984 177.584 0.224 0.000 1.190 408 A CA 1.463 53.661 52.037 0.269 0.000 0.617 408 A CB -0.905 18.287 19.000 0.320 0.000 0.827 408 A HN 0.201 nan 8.150 nan 0.000 0.443 409 V N 0.015 120.005 119.914 0.127 0.000 2.392 409 V HA -0.237 3.883 4.120 0.000 0.000 0.249 409 V C 2.564 178.717 176.094 0.099 0.000 1.059 409 V CA 2.953 65.310 62.300 0.096 0.000 1.051 409 V CB -0.849 30.981 31.823 0.011 0.000 0.658 409 V HN 0.660 nan 8.190 nan 0.000 0.455 410 T N -0.437 114.178 114.554 0.102 0.000 2.821 410 T HA -0.117 4.233 4.350 0.000 0.000 0.267 410 T C 1.795 176.565 174.700 0.115 0.000 1.046 410 T CA 1.401 63.559 62.100 0.097 0.000 1.139 410 T CB -0.224 68.703 68.868 0.098 0.000 0.871 410 T HN 0.486 nan 8.240 nan 0.000 0.454 411 E N 1.004 121.318 120.200 0.190 0.000 2.106 411 E HA 0.020 4.370 4.350 0.000 0.000 0.192 411 E C 2.196 178.900 176.600 0.173 0.000 0.984 411 E CA 0.638 57.182 56.400 0.241 0.000 0.806 411 E CB -0.379 29.570 29.700 0.415 0.000 0.750 411 E HN 0.534 nan 8.360 nan 0.000 0.458 412 I N 1.485 122.197 120.570 0.237 0.000 2.286 412 I HA -0.251 3.920 4.170 0.000 0.000 0.248 412 I C 2.024 178.192 176.117 0.085 0.000 1.115 412 I CA 0.773 62.222 61.300 0.247 0.000 1.392 412 I CB -0.297 37.923 38.000 0.368 0.000 1.065 412 I HN 0.031 nan 8.210 nan 0.000 0.418 413 N N 0.605 119.331 118.700 0.043 0.000 2.188 413 N HA -0.114 4.626 4.740 0.000 0.000 0.184 413 N C 1.963 177.438 175.510 -0.059 0.000 1.018 413 N CA 1.097 54.130 53.050 -0.027 0.000 0.858 413 N CB -0.217 38.258 38.487 -0.021 0.000 0.989 413 N HN 0.153 nan 8.380 nan 0.000 0.426 414 V N 1.633 121.498 119.914 -0.081 0.000 2.407 414 V HA -0.183 3.937 4.120 0.000 0.000 0.248 414 V C 2.408 178.339 176.094 -0.273 0.000 1.055 414 V CA 1.692 63.886 62.300 -0.178 0.000 1.049 414 V CB -0.835 30.836 31.823 -0.254 0.000 0.662 414 V HN 0.269 nan 8.190 nan 0.000 0.455 415 A N -0.169 122.434 122.820 -0.361 0.000 1.883 415 A HA -0.178 4.142 4.320 0.000 0.000 0.217 415 A C 2.402 179.901 177.584 -0.143 0.000 1.186 415 A CA 2.219 53.992 52.037 -0.439 0.000 0.624 415 A CB -0.752 17.679 19.000 -0.949 0.000 0.822 415 A HN 0.326 nan 8.150 nan 0.000 0.444 416 V N 0.164 120.040 119.914 -0.062 0.000 2.255 416 V HA -0.282 3.838 4.120 0.000 0.000 0.247 416 V C 2.604 178.701 176.094 0.006 0.000 1.051 416 V CA 2.091 64.398 62.300 0.012 0.000 1.018 416 V CB -0.824 30.932 31.823 -0.112 0.000 0.641 416 V HN 0.570 nan 8.190 nan 0.000 0.445 417 L N -0.588 120.598 121.223 -0.062 0.000 2.046 417 L HA -0.229 4.111 4.340 0.000 0.000 0.208 417 L C 2.631 179.515 176.870 0.022 0.000 1.077 417 L CA 2.181 56.994 54.840 -0.046 0.000 0.747 417 L CB -0.947 41.086 42.059 -0.045 0.000 0.896 417 L HN 0.528 nan 8.230 nan 0.000 0.432 418 H N -0.225 118.785 119.070 -0.100 0.000 2.321 418 H HA -0.156 4.400 4.556 0.000 0.000 0.300 418 H C 2.307 177.611 175.328 -0.041 0.000 1.087 418 H CA 1.816 57.798 56.048 -0.109 0.000 1.319 418 H CB 0.348 29.976 29.762 -0.223 0.000 1.379 418 H HN 0.248 nan 8.280 nan 0.000 0.501 419 S N 0.312 115.895 115.700 -0.196 0.000 2.356 419 S HA -0.135 4.335 4.470 0.000 0.000 0.223 419 S C 1.952 176.510 174.600 -0.070 0.000 1.032 419 S CA 1.392 59.478 58.200 -0.190 0.000 1.005 419 S CB -0.520 62.672 63.200 -0.015 0.000 0.867 419 S HN 0.306 nan 8.310 nan 0.000 0.449 420 F N 1.951 121.820 119.950 -0.136 0.000 2.171 420 F HA -0.100 4.427 4.527 0.000 0.000 0.300 420 F C 2.633 178.369 175.800 -0.106 0.000 1.090 420 F CA 1.030 58.974 58.000 -0.093 0.000 1.293 420 F CB -0.648 38.314 39.000 -0.063 0.000 1.013 420 F HN 0.224 nan 8.300 nan 0.000 0.486 421 Q N -0.025 119.816 119.800 0.069 0.000 2.020 421 Q HA -0.242 4.098 4.340 0.000 0.000 0.202 421 Q C 2.315 178.274 176.000 -0.068 0.000 0.982 421 Q CA 1.710 57.509 55.803 -0.007 0.000 0.838 421 Q CB -0.326 28.405 28.738 -0.012 0.000 0.899 421 Q HN 0.312 nan 8.270 nan 0.000 0.423 422 K N 0.840 121.144 120.400 -0.160 0.000 2.074 422 K HA -0.227 4.093 4.320 0.000 0.000 0.209 422 K C 1.454 177.979 176.600 -0.124 0.000 1.048 422 K CA 1.572 57.750 56.287 -0.181 0.000 0.926 422 K CB 0.074 32.363 32.500 -0.352 0.000 0.713 422 K HN 0.201 nan 8.250 nan 0.000 0.444 423 Q N 0.306 120.028 119.800 -0.130 0.000 2.322 423 Q HA 0.093 4.433 4.340 0.000 0.000 0.203 423 Q C -0.618 175.330 176.000 -0.086 0.000 0.923 423 Q CA -0.161 55.573 55.803 -0.114 0.000 0.949 423 Q CB 0.414 29.058 28.738 -0.157 0.000 1.039 423 Q HN 0.307 nan 8.270 nan 0.000 0.496 424 N N -0.364 118.299 118.700 -0.062 0.000 2.735 424 N HA -0.149 4.591 4.740 0.000 0.000 0.248 424 N C -1.271 174.222 175.510 -0.028 0.000 1.083 424 N CA 0.583 53.608 53.050 -0.042 0.000 0.703 424 N CB -1.444 37.017 38.487 -0.044 0.000 1.005 424 N HN 0.038 nan 8.380 nan 0.000 0.550 425 V N 0.962 120.877 119.914 0.000 0.000 2.398 425 V HA 0.241 4.361 4.120 0.000 0.000 0.286 425 V C 0.907 177.107 176.094 0.177 0.000 1.026 425 V CA -0.592 61.745 62.300 0.061 0.000 0.868 425 V CB 1.962 33.765 31.823 -0.033 0.000 0.982 425 V HN 0.162 nan 8.190 nan 0.000 0.443 426 T N 6.535 121.140 114.554 0.086 0.000 2.905 426 T HA 0.375 4.725 4.350 0.000 0.000 0.299 426 T C -0.232 174.511 174.700 0.071 0.000 1.024 426 T CA 0.933 63.008 62.100 -0.041 0.000 1.151 426 T CB 0.005 68.733 68.868 -0.233 0.000 0.987 426 T HN 0.572 nan 8.240 nan 0.000 0.535 427 I N 2.409 122.936 120.570 -0.072 0.000 2.882 427 I HA 0.538 4.708 4.170 0.000 0.000 0.298 427 I C -1.636 174.439 176.117 -0.069 0.000 1.462 427 I CA -1.007 60.245 61.300 -0.081 0.000 1.000 427 I CB 2.054 39.860 38.000 -0.324 0.000 1.340 427 I HN 0.634 nan 8.210 nan 0.000 0.462 428 M N 6.097 125.714 119.600 0.030 0.000 2.393 428 M HA 0.389 4.869 4.480 0.000 0.000 0.299 428 M C -1.486 174.845 176.300 0.052 0.000 1.103 428 M CA -0.626 54.716 55.300 0.070 0.000 0.910 428 M CB 1.721 34.455 32.600 0.222 0.000 1.659 428 M HN 0.587 nan 8.290 nan 0.000 0.445 429 D N 3.070 123.498 120.400 0.047 0.000 2.344 429 D HA 0.052 4.692 4.640 0.000 0.000 0.244 429 D C 0.592 176.939 176.300 0.078 0.000 1.134 429 D CA -0.178 53.869 54.000 0.077 0.000 0.930 429 D CB 0.566 41.392 40.800 0.045 0.000 1.175 429 D HN 0.836 nan 8.370 nan 0.000 0.437 430 H N 0.341 119.329 119.070 -0.136 0.000 2.457 430 H HA -0.123 4.433 4.556 0.000 0.000 0.294 430 H C 1.341 176.558 175.328 -0.185 0.000 1.064 430 H CA 1.131 57.066 56.048 -0.188 0.000 1.330 430 H CB -0.705 28.888 29.762 -0.281 0.000 1.395 430 H HN 0.518 nan 8.280 nan 0.000 0.541 431 H N 0.969 119.848 119.070 -0.319 0.000 2.299 431 H HA -0.033 4.523 4.556 0.000 0.000 0.302 431 H C 1.983 177.280 175.328 -0.052 0.000 1.078 431 H CA 1.968 57.898 56.048 -0.195 0.000 1.323 431 H CB -0.342 29.270 29.762 -0.249 0.000 1.381 431 H HN 0.383 nan 8.280 nan 0.000 0.498 432 T N 1.240 115.843 114.554 0.082 0.000 2.746 432 T HA -0.097 4.254 4.350 0.000 0.000 0.267 432 T C 2.330 177.094 174.700 0.106 0.000 1.039 432 T CA 1.218 63.369 62.100 0.084 0.000 1.142 432 T CB -0.414 68.496 68.868 0.071 0.000 0.866 432 T HN 0.432 nan 8.240 nan 0.000 0.444 433 A N 1.440 124.324 122.820 0.106 0.000 1.902 433 A HA -0.107 4.214 4.320 0.000 0.000 0.217 433 A C 2.624 180.299 177.584 0.152 0.000 1.181 433 A CA 1.989 54.106 52.037 0.135 0.000 0.623 433 A CB -0.898 18.171 19.000 0.115 0.000 0.818 433 A HN 0.445 nan 8.150 nan 0.000 0.443 434 S N -0.198 115.574 115.700 0.120 0.000 2.368 434 S HA -0.161 4.309 4.470 0.000 0.000 0.225 434 S C 1.829 176.543 174.600 0.191 0.000 1.030 434 S CA 1.479 59.770 58.200 0.152 0.000 0.999 434 S CB -0.337 62.926 63.200 0.106 0.000 0.844 434 S HN 0.702 nan 8.310 nan 0.000 0.459 435 E N 0.899 121.186 120.200 0.146 0.000 2.110 435 E HA -0.109 4.241 4.350 0.000 0.000 0.193 435 E C 2.240 178.918 176.600 0.129 0.000 0.988 435 E CA 1.047 57.522 56.400 0.125 0.000 0.804 435 E CB -0.228 29.528 29.700 0.093 0.000 0.745 435 E HN 0.415 nan 8.360 nan 0.000 0.458 436 S N 0.556 116.345 115.700 0.148 0.000 2.359 436 S HA -0.193 4.277 4.470 0.000 0.000 0.224 436 S C 1.782 176.489 174.600 0.178 0.000 1.035 436 S CA 1.029 59.320 58.200 0.151 0.000 1.018 436 S CB -0.304 62.997 63.200 0.169 0.000 0.876 436 S HN 0.323 nan 8.310 nan 0.000 0.448 437 F N 1.748 121.758 119.950 0.100 0.000 2.171 437 F HA 0.002 4.529 4.527 0.000 0.000 0.300 437 F C 2.117 178.008 175.800 0.151 0.000 1.090 437 F CA 1.409 59.486 58.000 0.129 0.000 1.293 437 F CB -0.319 38.737 39.000 0.094 0.000 1.013 437 F HN 0.199 nan 8.300 nan 0.000 0.486 438 M N 0.153 119.799 119.600 0.077 0.000 2.117 438 M HA -0.189 4.291 4.480 0.000 0.000 0.262 438 M C 2.213 178.465 176.300 -0.080 0.000 1.065 438 M CA 1.568 56.865 55.300 -0.006 0.000 1.114 438 M CB -1.250 31.403 32.600 0.089 0.000 1.361 438 M HN 0.073 nan 8.290 nan 0.000 0.408 439 K N -0.446 119.941 120.400 -0.022 0.000 2.097 439 K HA -0.194 4.126 4.320 0.000 0.000 0.206 439 K C 1.982 178.549 176.600 -0.056 0.000 1.049 439 K CA 1.680 57.956 56.287 -0.020 0.000 0.933 439 K CB -0.537 31.978 32.500 0.025 0.000 0.717 439 K HN 0.400 nan 8.250 nan 0.000 0.442 440 H N -0.274 118.688 119.070 -0.180 0.000 2.321 440 H HA -0.021 4.535 4.556 0.000 0.000 0.300 440 H C 1.998 177.150 175.328 -0.292 0.000 1.087 440 H CA 2.435 58.351 56.048 -0.220 0.000 1.319 440 H CB -0.175 29.423 29.762 -0.273 0.000 1.379 440 H HN 0.217 nan 8.280 nan 0.000 0.501 441 M N -0.198 119.038 119.600 -0.606 0.000 2.108 441 M HA -0.247 4.233 4.480 0.000 0.000 0.261 441 M C 2.228 178.428 176.300 -0.167 0.000 1.066 441 M CA 2.010 57.027 55.300 -0.473 0.000 1.107 441 M CB -0.007 32.352 32.600 -0.402 0.000 1.356 441 M HN 0.374 nan 8.290 nan 0.000 0.406 442 Q N 0.281 119.990 119.800 -0.151 0.000 2.050 442 Q HA -0.160 4.180 4.340 0.000 0.000 0.202 442 Q C 1.667 177.627 176.000 -0.065 0.000 0.980 442 Q CA 1.945 57.705 55.803 -0.073 0.000 0.840 442 Q CB -0.127 28.568 28.738 -0.072 0.000 0.898 442 Q HN 0.524 nan 8.270 nan 0.000 0.424 443 N N 0.119 118.745 118.700 -0.123 0.000 2.166 443 N HA -0.156 4.584 4.740 0.000 0.000 0.186 443 N C 1.411 176.834 175.510 -0.145 0.000 1.019 443 N CA 1.024 54.012 53.050 -0.103 0.000 0.856 443 N CB -0.116 38.327 38.487 -0.075 0.000 0.993 443 N HN 0.269 nan 8.380 nan 0.000 0.426 444 E N 0.039 120.068 120.200 -0.284 0.000 2.106 444 E HA -0.111 4.239 4.350 0.000 0.000 0.192 444 E C 1.792 178.234 176.600 -0.263 0.000 0.984 444 E CA 0.678 56.876 56.400 -0.336 0.000 0.806 444 E CB -0.351 29.023 29.700 -0.544 0.000 0.750 444 E HN 0.491 nan 8.360 nan 0.000 0.458 445 Y N 1.131 121.330 120.300 -0.168 0.000 2.242 445 Y HA -0.118 4.432 4.550 0.000 0.000 0.291 445 Y C 2.558 178.410 175.900 -0.080 0.000 1.137 445 Y CA 1.290 59.328 58.100 -0.104 0.000 1.181 445 Y CB -0.026 38.372 38.460 -0.103 0.000 0.989 445 Y HN -0.029 nan 8.280 nan 0.000 0.527 446 R N -0.637 119.884 120.500 0.035 0.000 2.066 446 R HA -0.107 4.233 4.340 0.000 0.000 0.232 446 R C 2.507 178.794 176.300 -0.021 0.000 1.131 446 R CA 1.145 57.249 56.100 0.006 0.000 0.955 446 R CB -0.570 29.727 30.300 -0.004 0.000 0.851 446 R HN 0.286 nan 8.270 nan 0.000 0.432 447 A N 1.675 124.465 122.820 -0.049 0.000 1.873 447 A HA -0.152 4.168 4.320 0.000 0.000 0.215 447 A C 1.720 179.265 177.584 -0.065 0.000 1.186 447 A CA 1.529 53.537 52.037 -0.049 0.000 0.616 447 A CB -0.133 18.835 19.000 -0.052 0.000 0.823 447 A HN 0.430 nan 8.150 nan 0.000 0.442 448 R N -2.691 117.740 120.500 -0.115 0.000 2.592 448 R HA 0.406 4.746 4.340 0.000 0.000 0.439 448 R C 0.651 176.870 176.300 -0.134 0.000 0.995 448 R CA 0.325 56.359 56.100 -0.110 0.000 1.141 448 R CB -0.733 29.494 30.300 -0.122 0.000 1.495 448 R HN 0.855 nan 8.270 nan 0.000 0.579 449 G N 0.061 108.773 108.800 -0.147 0.000 2.295 449 G HA2 -0.011 3.949 3.960 0.000 0.000 0.287 449 G HA3 -0.011 3.949 3.960 0.000 0.000 0.287 449 G C 0.237 174.918 174.900 -0.365 0.000 1.055 449 G CA 0.225 45.245 45.100 -0.133 0.000 0.922 449 G HN 0.983 nan 8.290 nan 0.000 0.503 450 G N -2.505 105.749 108.800 -0.910 0.000 2.340 450 G HA2 0.551 4.511 3.960 0.000 0.000 0.300 450 G HA3 0.551 4.511 3.960 0.000 0.000 0.300 450 G C -0.854 173.573 174.900 -0.788 0.000 1.488 450 G CA 0.222 44.699 45.100 -1.038 0.000 0.878 450 G HN 1.868 nan 8.290 nan 0.000 0.618 451 C N 2.689 121.727 119.300 -0.437 0.000 2.887 451 C HA 0.650 5.110 4.460 0.000 0.000 0.379 451 C C -2.519 172.394 174.990 -0.129 0.000 1.064 451 C CA -1.164 57.728 59.018 -0.210 0.000 1.282 451 C CB 1.072 28.743 27.740 -0.115 0.000 1.749 451 C HN 0.696 nan 8.230 nan 0.000 0.489 452 P HA 0.387 nan 4.420 nan 0.000 0.267 452 P C -0.634 176.546 177.300 -0.199 0.000 1.209 452 P CA 0.633 63.318 63.100 -0.693 0.000 0.763 452 P CB 1.056 32.220 31.700 -0.894 0.000 0.816 453 A N 2.642 125.408 122.820 -0.091 0.000 2.488 453 A HA 0.402 4.722 4.320 0.000 0.000 0.298 453 A C -1.093 176.539 177.584 0.080 0.000 1.044 453 A CA -0.551 51.528 52.037 0.069 0.000 0.693 453 A CB 1.288 20.448 19.000 0.267 0.000 1.272 453 A HN 0.442 nan 8.150 nan 0.000 0.402 454 D N 2.067 122.510 120.400 0.072 0.000 2.467 454 D HA 0.154 4.794 4.640 0.000 0.000 0.220 454 D C 0.799 177.237 176.300 0.231 0.000 1.103 454 D CA -0.471 53.624 54.000 0.158 0.000 0.886 454 D CB 0.364 41.221 40.800 0.096 0.000 1.025 454 D HN 0.605 nan 8.370 nan 0.000 0.514 455 W N 4.288 125.636 121.300 0.080 0.000 2.302 455 W HA -0.238 4.422 4.660 0.000 0.000 0.320 455 W C 1.807 178.372 176.519 0.077 0.000 1.241 455 W CA 1.329 58.706 57.345 0.053 0.000 1.264 455 W CB -0.135 29.337 29.460 0.021 0.000 1.154 455 W HN 0.476 nan 8.180 nan 0.000 0.483 456 I N -1.040 119.848 120.570 0.530 0.000 2.399 456 I HA -0.314 3.856 4.170 0.000 0.000 0.254 456 I C 1.719 177.975 176.117 0.231 0.000 1.146 456 I CA 1.431 62.980 61.300 0.414 0.000 1.412 456 I CB -0.581 37.675 38.000 0.426 0.000 1.076 456 I HN 0.130 nan 8.210 nan 0.000 0.432 457 W N -0.101 121.197 121.300 -0.002 0.000 2.683 457 W HA 0.166 4.826 4.660 0.000 0.000 0.267 457 W C 2.173 178.595 176.519 -0.162 0.000 1.243 457 W CA 0.158 57.469 57.345 -0.058 0.000 1.380 457 W CB -0.271 29.179 29.460 -0.017 0.000 1.063 457 W HN -0.076 nan 8.180 nan 0.000 0.599 458 L N -0.121 121.077 121.223 -0.042 0.000 2.217 458 L HA -0.003 4.337 4.340 0.000 0.000 0.211 458 L C 0.590 177.273 176.870 -0.312 0.000 1.107 458 L CA 0.352 55.043 54.840 -0.249 0.000 0.783 458 L CB -0.876 40.936 42.059 -0.413 0.000 0.919 458 L HN -0.395 nan 8.230 nan 0.000 0.442 459 V N 1.488 121.141 119.914 -0.435 0.000 2.455 459 V HA 0.147 4.267 4.120 0.000 0.000 0.273 459 V C -1.816 174.115 176.094 -0.272 0.000 1.045 459 V CA -1.380 60.650 62.300 -0.450 0.000 0.976 459 V CB 0.488 31.817 31.823 -0.823 0.000 0.993 459 V HN 0.028 nan 8.190 nan 0.000 0.475 460 P HA 0.050 nan 4.420 nan 0.000 0.267 460 P C -1.739 175.453 177.300 -0.179 0.000 1.201 460 P CA -0.817 62.180 63.100 -0.172 0.000 0.775 460 P CB 0.072 31.706 31.700 -0.110 0.000 0.854 461 P HA -0.055 nan 4.420 nan 0.000 0.239 461 P C -0.122 177.087 177.300 -0.152 0.000 1.184 461 P CA 1.003 63.995 63.100 -0.180 0.000 0.760 461 P CB 0.089 31.667 31.700 -0.203 0.000 0.884 462 V N -6.642 113.170 119.914 -0.170 0.000 3.147 462 V HA 0.551 4.671 4.120 0.000 0.000 0.306 462 V C 0.332 176.403 176.094 -0.038 0.000 1.209 462 V CA -0.937 61.296 62.300 -0.113 0.000 1.023 462 V CB 1.330 33.066 31.823 -0.146 0.000 1.059 462 V HN -0.131 nan 8.190 nan 0.000 0.435 463 S N 0.864 116.571 115.700 0.011 0.000 3.587 463 S HA -0.198 4.272 4.470 0.000 0.000 0.337 463 S C 1.575 176.178 174.600 0.004 0.000 1.119 463 S CA 1.289 59.521 58.200 0.053 0.000 0.976 463 S CB -1.598 61.709 63.200 0.179 0.000 0.922 463 S HN 2.094 nan 8.310 nan 0.000 0.503 464 G N 2.519 111.298 108.800 -0.035 0.000 2.764 464 G HA2 -0.365 3.595 3.960 0.000 0.000 0.219 464 G HA3 -0.365 3.595 3.960 0.000 0.000 0.219 464 G C 1.470 176.238 174.900 -0.221 0.000 1.259 464 G CA 1.789 46.871 45.100 -0.030 0.000 0.793 464 G HN 1.377 nan 8.290 nan 0.000 0.633 465 S N 0.116 115.355 115.700 -0.768 0.000 2.547 465 S HA 0.086 4.556 4.470 0.000 0.000 0.235 465 S C 1.995 176.499 174.600 -0.160 0.000 0.980 465 S CA 0.662 58.201 58.200 -1.102 0.000 0.941 465 S CB -0.053 62.357 63.200 -1.316 0.000 0.763 465 S HN 0.230 nan 8.310 nan 0.000 0.532 466 I N 2.869 123.403 120.570 -0.059 0.000 3.251 466 I HA 0.054 4.224 4.170 0.000 0.000 0.277 466 I C 1.254 177.466 176.117 0.158 0.000 1.268 466 I CA 0.603 61.949 61.300 0.076 0.000 1.449 466 I CB -1.795 36.268 38.000 0.105 0.000 1.083 466 I HN 0.498 nan 8.210 nan 0.000 0.464 467 T N -1.330 113.312 114.554 0.147 0.000 2.929 467 T HA 0.366 4.716 4.350 0.000 0.000 0.284 467 T C -1.451 173.407 174.700 0.263 0.000 1.014 467 T CA -1.760 60.448 62.100 0.181 0.000 1.051 467 T CB 2.377 71.305 68.868 0.100 0.000 1.028 467 T HN -0.119 nan 8.240 nan 0.000 0.485 468 P HA -0.082 nan 4.420 nan 0.000 0.219 468 P C 1.896 179.396 177.300 0.333 0.000 1.150 468 P CA 1.106 64.400 63.100 0.325 0.000 0.814 468 P CB -0.361 31.467 31.700 0.215 0.000 0.787 469 V N -2.871 117.181 119.914 0.231 0.000 2.469 469 V HA -0.250 3.870 4.120 0.000 0.000 0.251 469 V C 2.388 178.573 176.094 0.152 0.000 1.064 469 V CA 1.671 64.079 62.300 0.180 0.000 1.066 469 V CB -2.390 29.460 31.823 0.046 0.000 0.667 469 V HN -0.102 nan 8.190 nan 0.000 0.461 470 F N 2.082 121.989 119.950 -0.072 0.000 2.154 470 F HA -0.189 4.338 4.527 0.000 0.000 0.301 470 F C 2.417 178.343 175.800 0.210 0.000 1.087 470 F CA 2.312 60.283 58.000 -0.049 0.000 1.274 470 F CB -0.460 38.389 39.000 -0.250 0.000 1.009 470 F HN 0.312 nan 8.300 nan 0.000 0.485 471 H N -1.029 118.422 119.070 0.634 0.000 2.539 471 H HA 0.101 4.657 4.556 0.000 0.000 0.267 471 H C 0.375 175.961 175.328 0.431 0.000 0.982 471 H CA 0.285 56.652 56.048 0.532 0.000 1.146 471 H CB -0.189 29.845 29.762 0.452 0.000 1.382 471 H HN 0.257 nan 8.280 nan 0.000 0.577 472 Q N 2.030 122.109 119.800 0.465 0.000 2.303 472 Q HA 0.140 4.480 4.340 0.000 0.000 0.257 472 Q C -0.572 175.644 176.000 0.360 0.000 0.941 472 Q CA -0.337 55.677 55.803 0.351 0.000 0.931 472 Q CB 0.716 29.630 28.738 0.293 0.000 1.215 472 Q HN 0.238 nan 8.270 nan 0.000 0.437 473 E N 3.800 124.151 120.200 0.252 0.000 2.360 473 E HA 0.284 4.634 4.350 0.000 0.000 0.269 473 E C -0.477 176.231 176.600 0.181 0.000 1.022 473 E CA 0.193 56.702 56.400 0.181 0.000 0.887 473 E CB 0.864 30.658 29.700 0.157 0.000 0.990 473 E HN 0.605 nan 8.360 nan 0.000 0.426 474 M N 2.095 121.813 119.600 0.196 0.000 2.619 474 M HA 0.402 4.882 4.480 0.000 0.000 0.297 474 M C -1.301 175.109 176.300 0.182 0.000 1.229 474 M CA -1.120 54.316 55.300 0.227 0.000 0.860 474 M CB 1.526 34.316 32.600 0.316 0.000 1.741 474 M HN 0.197 nan 8.290 nan 0.000 0.462 475 L N 2.079 123.426 121.223 0.208 0.000 2.333 475 L HA 0.509 4.849 4.340 0.000 0.000 0.280 475 L C -0.741 176.216 176.870 0.144 0.000 1.004 475 L CA -0.186 54.779 54.840 0.208 0.000 0.820 475 L CB 1.498 43.730 42.059 0.288 0.000 1.247 475 L HN 0.579 nan 8.230 nan 0.000 0.416 476 N N 3.195 121.942 118.700 0.079 0.000 2.417 476 N HA 0.608 5.348 4.740 0.000 0.000 0.274 476 N C -1.603 173.645 175.510 -0.437 0.000 0.987 476 N CA -0.237 52.715 53.050 -0.163 0.000 0.912 476 N CB 0.832 39.323 38.487 0.006 0.000 1.177 476 N HN 0.390 nan 8.380 nan 0.000 0.490 477 Y N -0.171 119.795 120.300 -0.557 0.000 2.638 477 Y HA 0.595 5.145 4.550 0.000 0.000 0.335 477 Y C -1.264 174.342 175.900 -0.489 0.000 1.155 477 Y CA -1.337 56.325 58.100 -0.730 0.000 1.046 477 Y CB 0.561 38.800 38.460 -0.368 0.000 1.303 477 Y HN 0.015 nan 8.280 nan 0.000 0.460 478 V N 3.756 123.471 119.914 -0.331 0.000 2.370 478 V HA 0.423 4.543 4.120 0.000 0.000 0.279 478 V C 0.108 176.046 176.094 -0.260 0.000 1.029 478 V CA -0.403 61.603 62.300 -0.490 0.000 0.870 478 V CB 0.643 32.052 31.823 -0.690 0.000 0.984 478 V HN 0.748 nan 8.190 nan 0.000 0.451 479 L N 2.876 123.998 121.223 -0.168 0.000 2.693 479 L HA 0.765 5.105 4.340 0.000 0.000 0.253 479 L C 0.246 177.107 176.870 -0.014 0.000 1.155 479 L CA -0.503 54.327 54.840 -0.017 0.000 1.026 479 L CB 1.605 43.694 42.059 0.051 0.000 1.817 479 L HN 0.630 nan 8.230 nan 0.000 0.556 480 S N -0.925 114.803 115.700 0.047 0.000 2.543 480 S HA 0.509 4.979 4.470 0.000 0.000 0.273 480 S C -2.739 171.913 174.600 0.088 0.000 1.152 480 S CA -1.005 57.237 58.200 0.070 0.000 0.910 480 S CB 1.880 65.115 63.200 0.058 0.000 1.105 480 S HN 0.127 nan 8.310 nan 0.000 0.465 481 P HA 0.410 nan 4.420 nan 0.000 0.269 481 P C -1.288 175.981 177.300 -0.052 0.000 1.217 481 P CA -0.015 63.062 63.100 -0.038 0.000 0.783 481 P CB 0.216 31.829 31.700 -0.146 0.000 0.898 482 F N 0.566 120.325 119.950 -0.318 0.000 2.654 482 F HA 0.436 4.963 4.527 0.000 0.000 0.308 482 F C -1.548 173.958 175.800 -0.490 0.000 1.108 482 F CA -0.758 56.964 58.000 -0.464 0.000 0.957 482 F CB 1.237 39.919 39.000 -0.530 0.000 1.309 482 F HN 0.155 nan 8.300 nan 0.000 0.446 483 Y N 4.452 124.278 120.300 -0.789 0.000 2.385 483 Y HA 0.438 4.988 4.550 0.000 0.000 0.341 483 Y C -0.881 174.748 175.900 -0.452 0.000 0.965 483 Y CA -0.798 57.051 58.100 -0.419 0.000 1.180 483 Y CB 0.318 38.527 38.460 -0.418 0.000 1.139 483 Y HN 0.389 nan 8.280 nan 0.000 0.502 484 Y N 1.129 121.521 120.300 0.153 0.000 2.519 484 Y HA 0.415 4.965 4.550 0.000 0.000 0.324 484 Y C -0.250 175.702 175.900 0.086 0.000 1.214 484 Y CA -1.024 57.159 58.100 0.138 0.000 1.260 484 Y CB 0.809 39.392 38.460 0.205 0.000 1.311 484 Y HN 0.388 nan 8.280 nan 0.000 0.505 485 Y N 0.316 120.802 120.300 0.309 0.000 2.340 485 Y HA 0.410 4.960 4.550 0.000 0.000 0.327 485 Y C -0.005 175.963 175.900 0.113 0.000 1.321 485 Y CA -1.189 56.999 58.100 0.147 0.000 1.433 485 Y CB 0.640 39.157 38.460 0.095 0.000 1.373 485 Y HN 0.435 nan 8.280 nan 0.000 0.538 486 Q N 0.190 120.109 119.800 0.198 0.000 2.544 486 Q HA 0.468 4.808 4.340 0.000 0.000 0.291 486 Q C -1.397 174.566 176.000 -0.062 0.000 1.068 486 Q CA -1.186 54.645 55.803 0.048 0.000 0.785 486 Q CB 2.580 31.318 28.738 0.001 0.000 1.481 486 Q HN 0.330 nan 8.270 nan 0.000 0.430 487 I N 1.837 122.334 120.570 -0.121 0.000 2.529 487 I HA 0.068 4.239 4.170 0.000 0.000 0.284 487 I C 0.177 176.065 176.117 -0.381 0.000 1.082 487 I CA -0.111 61.067 61.300 -0.203 0.000 1.406 487 I CB 0.450 38.347 38.000 -0.172 0.000 1.405 487 I HN 0.594 nan 8.210 nan 0.000 0.548 488 E N 8.437 128.306 120.200 -0.552 0.000 2.558 488 E HA -0.045 4.305 4.350 0.000 0.000 0.255 488 E C -1.364 174.551 176.600 -1.141 0.000 0.968 488 E CA -0.724 55.024 56.400 -1.088 0.000 0.939 488 E CB 0.038 28.806 29.700 -1.554 0.000 0.921 488 E HN 0.382 nan 8.360 nan 0.000 0.477 489 P HA -0.203 nan 4.420 nan 0.000 0.216 489 P C 0.805 177.551 177.300 -0.923 0.000 1.150 489 P CA 1.481 63.961 63.100 -1.033 0.000 0.843 489 P CB -0.148 30.687 31.700 -1.443 0.000 0.787 490 W N 0.970 121.782 121.300 -0.813 0.000 2.632 490 W HA 0.110 4.770 4.660 0.000 0.000 0.248 490 W C 1.546 178.078 176.519 0.023 0.000 1.259 490 W CA 0.448 57.639 57.345 -0.256 0.000 1.288 490 W CB -1.411 28.060 29.460 0.019 0.000 1.136 490 W HN -0.074 nan 8.180 nan 0.000 0.640 491 K N 0.258 120.503 120.400 -0.259 0.000 2.356 491 K HA 0.065 4.385 4.320 0.000 0.000 0.195 491 K C 1.183 177.768 176.600 -0.025 0.000 1.037 491 K CA 1.381 57.624 56.287 -0.073 0.000 1.014 491 K CB 0.068 32.447 32.500 -0.201 0.000 0.815 491 K HN 0.248 nan 8.250 nan 0.000 0.507 492 T N -2.550 111.963 114.554 -0.069 0.000 3.393 492 T HA 0.103 4.454 4.350 0.000 0.000 0.298 492 T C -0.631 174.091 174.700 0.037 0.000 1.004 492 T CA -0.619 61.467 62.100 -0.023 0.000 0.956 492 T CB -0.285 68.537 68.868 -0.076 0.000 1.182 492 T HN 0.027 nan 8.240 nan 0.000 0.497 493 H N 1.344 120.411 119.070 -0.004 0.000 2.489 493 H HA 0.592 5.148 4.556 0.000 0.000 0.322 493 H C -0.409 174.940 175.328 0.035 0.000 1.091 493 H CA -1.252 54.779 56.048 -0.029 0.000 1.291 493 H CB 0.597 30.324 29.762 -0.059 0.000 1.436 493 H HN 0.330 nan 8.280 nan 0.000 0.480 494 I N 6.055 126.267 120.570 -0.597 0.000 2.281 494 I HA 0.058 4.228 4.170 0.000 0.000 0.293 494 I C -0.343 175.396 176.117 -0.630 0.000 1.085 494 I CA -0.471 60.607 61.300 -0.370 0.000 1.257 494 I CB 0.052 37.920 38.000 -0.219 0.000 1.430 494 I HN 0.477 nan 8.210 nan 0.000 0.489 495 W N 4.156 125.255 121.300 -0.336 0.000 2.170 495 W HA 0.298 4.958 4.660 0.000 0.000 0.336 495 W C 1.476 177.952 176.519 -0.072 0.000 1.283 495 W CA 0.094 57.367 57.345 -0.120 0.000 1.224 495 W CB 0.423 29.930 29.460 0.078 0.000 1.132 495 W HN 0.614 nan 8.180 nan 0.000 0.571 496 Q N 1.638 121.562 119.800 0.206 0.000 2.013 496 Q HA 0.137 4.477 4.340 0.000 0.000 0.195 496 Q C 0.801 176.881 176.000 0.133 0.000 0.974 496 Q CA 1.773 57.645 55.803 0.115 0.000 0.826 496 Q CB -1.152 27.634 28.738 0.079 0.000 0.895 496 Q HN 0.729 nan 8.270 nan 0.000 0.448 497 N N 0.000 118.800 118.700 0.167 0.000 1.763 497 N HA 0.000 4.740 4.740 0.000 0.000 0.220 497 N CA 0.000 53.115 53.050 0.108 0.000 0.885 497 N CB 0.000 38.526 38.487 0.065 0.000 1.341 497 N HN 0.000 nan 8.380 nan 0.000 0.667