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 1m8d_1_A DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSDXXXXX 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 0.000 176.211 176.000 0.352 0.000 1.003 77 Q CA 0.000 55.901 55.803 0.163 0.000 1.022 77 Q CB 0.000 28.794 28.738 0.094 0.000 1.108 78 Y N -2.019 118.356 120.300 0.125 0.000 2.565 78 Y HA 0.720 5.270 4.550 0.000 0.000 0.330 78 Y C -0.928 174.985 175.900 0.022 0.000 1.150 78 Y CA -1.563 56.606 58.100 0.116 0.000 1.055 78 Y CB 1.179 39.668 38.460 0.048 0.000 1.337 78 Y HN 0.347 nan 8.280 nan 0.000 0.457 79 V N 4.157 124.135 119.914 0.107 0.000 2.432 79 V HA 0.444 4.564 4.120 0.000 0.000 0.275 79 V C 0.306 176.466 176.094 0.109 0.000 1.043 79 V CA -0.661 61.598 62.300 -0.069 0.000 0.925 79 V CB 1.138 32.804 31.823 -0.260 0.000 0.985 79 V HN 0.849 nan 8.190 nan 0.000 0.466 80 R N 4.418 124.935 120.500 0.029 0.000 2.438 80 R HA 0.440 4.780 4.340 0.000 0.000 0.287 80 R C -1.104 175.250 176.300 0.090 0.000 1.077 80 R CA -0.362 55.818 56.100 0.133 0.000 1.034 80 R CB 0.515 30.848 30.300 0.054 0.000 0.993 80 R HN 0.520 nan 8.270 nan 0.000 0.459 81 I N 4.087 124.714 120.570 0.095 0.000 2.499 81 I HA 0.290 4.460 4.170 0.000 0.000 0.288 81 I C -0.482 175.613 176.117 -0.036 0.000 1.048 81 I CA -0.580 60.742 61.300 0.037 0.000 1.062 81 I CB 1.740 39.758 38.000 0.031 0.000 1.238 81 I HN 0.636 nan 8.210 nan 0.000 0.426 82 K N 4.707 125.074 120.400 -0.056 0.000 2.259 82 K HA 0.415 4.735 4.320 0.000 0.000 0.252 82 K C -0.662 175.848 176.600 -0.150 0.000 0.936 82 K CA -0.585 55.578 56.287 -0.207 0.000 0.810 82 K CB 1.868 34.081 32.500 -0.479 0.000 1.143 82 K HN 0.614 nan 8.250 nan 0.000 0.427 83 N N 3.527 122.134 118.700 -0.156 0.000 2.546 83 N HA 0.166 4.906 4.740 0.000 0.000 0.238 83 N C -0.295 175.209 175.510 -0.010 0.000 0.984 83 N CA -0.679 52.386 53.050 0.026 0.000 0.935 83 N CB 0.490 38.999 38.487 0.036 0.000 1.122 83 N HN 0.573 nan 8.380 nan 0.000 0.510 84 W N 2.302 123.687 121.300 0.141 0.000 2.721 84 W HA 0.158 4.818 4.660 0.000 0.000 0.245 84 W C 1.957 178.519 176.519 0.072 0.000 1.276 84 W CA 0.089 57.507 57.345 0.122 0.000 1.342 84 W CB 0.116 29.676 29.460 0.166 0.000 1.135 84 W HN 0.639 nan 8.180 nan 0.000 0.654 85 G N -0.361 108.578 108.800 0.231 0.000 2.437 85 G HA2 -0.159 3.801 3.960 0.000 0.000 0.212 85 G HA3 -0.159 3.801 3.960 0.000 0.000 0.212 85 G C 1.530 176.444 174.900 0.023 0.000 1.174 85 G CA 1.138 46.258 45.100 0.034 0.000 0.811 85 G HN 0.270 nan 8.290 nan 0.000 0.537 86 S N -1.155 114.563 115.700 0.031 0.000 2.511 86 S HA 0.386 4.856 4.470 0.000 0.000 0.214 86 S C 1.882 176.464 174.600 -0.030 0.000 0.997 86 S CA 1.043 59.242 58.200 -0.001 0.000 0.908 86 S CB 0.392 63.591 63.200 -0.001 0.000 0.803 86 S HN 1.523 nan 8.310 nan 0.000 0.504 87 G N 1.331 110.098 108.800 -0.054 0.000 2.179 87 G HA2 -0.241 3.719 3.960 0.000 0.000 0.260 87 G HA3 -0.241 3.719 3.960 0.000 0.000 0.260 87 G C -0.119 174.697 174.900 -0.140 0.000 0.977 87 G CA 0.235 45.263 45.100 -0.120 0.000 0.641 87 G HN 0.538 nan 8.290 nan 0.000 0.533 88 E N 0.401 120.536 120.200 -0.107 0.000 2.415 88 E HA 0.335 4.685 4.350 0.000 0.000 0.262 88 E C 0.702 177.215 176.600 -0.145 0.000 1.038 88 E CA 0.180 56.511 56.400 -0.114 0.000 0.921 88 E CB 0.922 30.563 29.700 -0.098 0.000 0.950 88 E HN 0.318 nan 8.360 nan 0.000 0.438 89 I N 2.710 123.195 120.570 -0.141 0.000 2.603 89 I HA 0.404 4.574 4.170 0.000 0.000 0.300 89 I C 0.151 176.165 176.117 -0.172 0.000 1.017 89 I CA -0.692 60.534 61.300 -0.123 0.000 1.098 89 I CB 1.134 39.102 38.000 -0.053 0.000 1.279 89 I HN 0.285 nan 8.210 nan 0.000 0.437 90 L N 4.642 125.780 121.223 -0.142 0.000 2.388 90 L HA 0.463 4.803 4.340 0.000 0.000 0.264 90 L C -0.679 176.259 176.870 0.112 0.000 0.998 90 L CA -0.693 54.004 54.840 -0.239 0.000 0.817 90 L CB 2.539 44.192 42.059 -0.678 0.000 1.338 90 L HN 0.538 nan 8.230 nan 0.000 0.414 91 H N 1.211 120.268 119.070 -0.022 0.000 2.638 91 H HA 0.161 4.717 4.556 0.000 0.000 0.303 91 H C -1.070 174.437 175.328 0.299 0.000 1.034 91 H CA -0.764 55.332 56.048 0.079 0.000 1.225 91 H CB 1.768 31.301 29.762 -0.381 0.000 1.394 91 H HN 0.434 nan 8.280 nan 0.000 0.477 92 D N 2.796 123.501 120.400 0.508 0.000 2.295 92 D HA 0.001 4.641 4.640 0.000 0.000 0.248 92 D C 0.892 177.403 176.300 0.352 0.000 1.154 92 D CA 0.097 54.360 54.000 0.438 0.000 0.857 92 D CB 1.302 42.312 40.800 0.350 0.000 1.117 92 D HN 0.700 nan 8.370 nan 0.000 0.468 93 T N 0.930 115.609 114.554 0.209 0.000 2.958 93 T HA -0.036 4.314 4.350 0.000 0.000 0.256 93 T C 1.753 176.383 174.700 -0.118 0.000 0.983 93 T CA -0.272 61.879 62.100 0.086 0.000 0.924 93 T CB 0.009 68.961 68.868 0.139 0.000 1.136 93 T HN 0.243 nan 8.240 nan 0.000 0.506 94 L N 3.050 124.229 121.223 -0.074 0.000 2.201 94 L HA -0.007 4.333 4.340 0.000 0.000 0.212 94 L C 2.473 179.152 176.870 -0.319 0.000 1.105 94 L CA 1.848 56.618 54.840 -0.116 0.000 0.775 94 L CB -0.878 41.163 42.059 -0.031 0.000 0.913 94 L HN 0.591 nan 8.230 nan 0.000 0.440 95 H N -2.551 116.101 119.070 -0.696 0.000 2.543 95 H HA -0.165 4.391 4.556 0.000 0.000 0.286 95 H C 1.533 176.516 175.328 -0.575 0.000 1.037 95 H CA 1.728 57.062 56.048 -1.190 0.000 1.250 95 H CB -0.983 28.102 29.762 -1.129 0.000 1.373 95 H HN 0.587 nan 8.280 nan 0.000 0.580 96 H N 1.123 119.740 119.070 -0.756 0.000 2.495 96 H HA 0.061 4.617 4.556 0.000 0.000 0.287 96 H C 1.441 176.628 175.328 -0.236 0.000 1.033 96 H CA 0.766 56.528 56.048 -0.477 0.000 1.307 96 H CB 0.387 29.908 29.762 -0.402 0.000 1.401 96 H HN 0.341 nan 8.280 nan 0.000 0.555 97 K N 0.784 121.133 120.400 -0.085 0.000 2.458 97 K HA 0.226 4.546 4.320 0.000 0.000 0.194 97 K C 0.492 177.093 176.600 0.002 0.000 1.024 97 K CA -0.170 56.107 56.287 -0.017 0.000 1.108 97 K CB 0.728 33.231 32.500 0.006 0.000 0.846 97 K HN 0.139 nan 8.250 nan 0.000 0.518 98 A N 1.713 124.510 122.820 -0.038 0.000 2.448 98 A HA 0.089 4.409 4.320 0.000 0.000 0.239 98 A C 1.244 178.840 177.584 0.021 0.000 1.080 98 A CA -0.005 52.044 52.037 0.020 0.000 0.779 98 A CB 0.192 19.190 19.000 -0.004 0.000 1.026 98 A HN 0.364 nan 8.150 nan 0.000 0.499 99 T N 0.004 114.566 114.554 0.014 0.000 4.776 99 T HA 0.340 4.691 4.350 0.000 0.000 0.241 99 T C 0.964 175.676 174.700 0.020 0.000 0.809 99 T CA 0.798 62.907 62.100 0.014 0.000 1.951 99 T CB -0.549 68.313 68.868 -0.011 0.000 1.929 99 T HN 0.588 nan 8.240 nan 0.000 0.316 100 S N 0.332 116.040 115.700 0.014 0.000 2.718 100 S HA 0.613 5.083 4.470 0.000 0.000 0.292 100 S C -0.937 173.672 174.600 0.015 0.000 1.125 100 S CA -0.451 57.760 58.200 0.019 0.000 1.013 100 S CB 0.143 63.356 63.200 0.021 0.000 1.192 100 S HN 0.905 nan 8.310 nan 0.000 0.535 108 S N -0.837 114.873 115.700 0.016 0.000 2.632 108 S HA 0.116 4.587 4.470 0.000 0.000 0.254 108 S C 0.819 175.430 174.600 0.017 0.000 1.291 108 S CA -0.578 57.631 58.200 0.014 0.000 0.974 108 S CB 0.796 64.003 63.200 0.013 0.000 1.016 108 S HN 0.468 nan 8.310 nan 0.000 0.579 109 C N 1.815 121.124 119.300 0.015 0.000 2.610 109 C HA 0.367 4.827 4.460 0.000 0.000 0.382 109 C C 0.408 175.414 174.990 0.027 0.000 1.287 109 C CA -0.839 58.190 59.018 0.019 0.000 1.640 109 C CB -2.512 25.235 27.740 0.011 0.000 2.335 109 C HN 0.641 nan 8.230 nan 0.000 0.577 110 L N 7.954 129.198 121.223 0.035 0.000 2.544 110 L HA 0.238 4.578 4.340 0.000 0.000 0.240 110 L C 1.700 178.605 176.870 0.059 0.000 1.421 110 L CA 0.785 55.654 54.840 0.047 0.000 1.206 110 L CB -1.177 40.913 42.059 0.051 0.000 1.463 110 L HN 0.942 nan 8.230 nan 0.000 0.437 111 G N 0.536 109.368 108.800 0.052 0.000 2.484 111 G HA2 -0.211 3.749 3.960 0.000 0.000 0.215 111 G HA3 -0.211 3.749 3.960 0.000 0.000 0.215 111 G C 1.129 176.087 174.900 0.097 0.000 1.219 111 G CA 0.787 45.923 45.100 0.061 0.000 0.791 111 G HN 0.574 nan 8.290 nan 0.000 0.550 112 S N 0.380 116.136 115.700 0.094 0.000 2.481 112 S HA 0.490 4.960 4.470 0.000 0.000 0.243 112 S C 0.084 174.762 174.600 0.130 0.000 1.152 112 S CA -0.763 57.512 58.200 0.124 0.000 1.168 112 S CB 0.015 63.274 63.200 0.099 0.000 0.835 112 S HN 0.052 nan 8.310 nan 0.000 0.474 113 I N 2.283 122.932 120.570 0.132 0.000 2.371 113 I HA 0.259 4.429 4.170 0.000 0.000 0.290 113 I C 1.364 177.586 176.117 0.174 0.000 1.028 113 I CA -0.393 60.982 61.300 0.125 0.000 1.345 113 I CB 0.833 38.892 38.000 0.098 0.000 1.407 113 I HN 0.372 nan 8.210 nan 0.000 0.501 114 M N 5.957 125.655 119.600 0.164 0.000 2.066 114 M HA -0.101 4.379 4.480 0.000 0.000 0.259 114 M C 0.658 177.055 176.300 0.161 0.000 1.074 114 M CA 2.000 57.425 55.300 0.208 0.000 1.114 114 M CB -0.059 32.621 32.600 0.134 0.000 1.306 114 M HN 0.475 nan 8.290 nan 0.000 0.411 115 N N 1.167 119.904 118.700 0.062 0.000 2.976 115 N HA 0.345 5.085 4.740 0.000 0.000 0.255 115 N C -2.590 172.972 175.510 0.087 0.000 1.312 115 N CA -0.905 52.150 53.050 0.008 0.000 0.897 115 N CB 0.412 38.799 38.487 -0.167 0.000 1.184 115 N HN 0.317 nan 8.380 nan 0.000 0.497 116 P HA 0.203 nan 4.420 nan 0.000 0.274 116 P C 0.572 177.952 177.300 0.133 0.000 1.231 116 P CA -0.321 62.850 63.100 0.117 0.000 0.790 116 P CB 1.985 33.753 31.700 0.114 0.000 0.951 117 K N 0.674 121.130 120.400 0.093 0.000 2.152 117 K HA -0.111 4.209 4.320 0.000 0.000 0.206 117 K C 2.084 178.746 176.600 0.104 0.000 1.048 117 K CA 1.933 58.271 56.287 0.085 0.000 0.933 117 K CB -0.368 32.161 32.500 0.048 0.000 0.721 117 K HN 0.556 nan 8.250 nan 0.000 0.447 118 S N 0.995 116.754 115.700 0.098 0.000 2.440 118 S HA -0.105 4.365 4.470 0.000 0.000 0.238 118 S C 1.638 176.333 174.600 0.158 0.000 1.010 118 S CA 0.928 59.185 58.200 0.095 0.000 0.972 118 S CB -0.264 62.972 63.200 0.061 0.000 0.774 118 S HN 0.237 nan 8.310 nan 0.000 0.501 119 L N 1.076 122.423 121.223 0.207 0.000 2.667 119 L HA 0.284 4.624 4.340 0.000 0.000 0.232 119 L C -0.143 176.992 176.870 0.442 0.000 1.138 119 L CA -0.044 54.962 54.840 0.277 0.000 0.921 119 L CB 0.147 42.309 42.059 0.172 0.000 1.180 119 L HN 0.190 nan 8.230 nan 0.000 0.487 120 T N -0.056 114.716 114.554 0.363 0.000 2.807 120 T HA 0.424 4.774 4.350 0.000 0.000 0.279 120 T C -0.425 174.335 174.700 0.100 0.000 0.993 120 T CA -0.462 61.809 62.100 0.286 0.000 0.970 120 T CB 2.260 71.240 68.868 0.187 0.000 0.950 120 T HN -0.079 nan 8.240 nan 0.000 0.441 121 R N 2.079 122.596 120.500 0.029 0.000 2.312 121 R HA 0.579 4.919 4.340 0.000 0.000 0.310 121 R C 0.532 176.791 176.300 -0.070 0.000 1.064 121 R CA -0.413 55.585 56.100 -0.170 0.000 0.983 121 R CB 0.092 30.165 30.300 -0.378 0.000 1.139 121 R HN 0.821 nan 8.270 nan 0.000 0.536 122 G N 3.550 112.309 108.800 -0.069 0.000 2.611 122 G HA2 0.271 4.231 3.960 0.000 0.000 0.273 122 G HA3 0.271 4.231 3.960 0.000 0.000 0.273 122 G C -1.970 172.893 174.900 -0.062 0.000 1.305 122 G CA -0.856 44.209 45.100 -0.059 0.000 1.010 122 G HN 0.592 nan 8.290 nan 0.000 0.509 123 P HA 0.383 nan 4.420 nan 0.000 0.276 123 P C -0.735 176.535 177.300 -0.050 0.000 1.261 123 P CA -0.308 62.759 63.100 -0.055 0.000 0.800 123 P CB 1.245 32.907 31.700 -0.064 0.000 1.066 124 R N -0.293 120.180 120.500 -0.045 0.000 2.799 124 R HA 0.351 4.691 4.340 0.000 0.000 0.270 124 R C -0.339 175.936 176.300 -0.041 0.000 1.010 124 R CA -0.550 55.526 56.100 -0.039 0.000 0.916 124 R CB 1.172 31.453 30.300 -0.033 0.000 1.228 124 R HN 0.416 nan 8.270 nan 0.000 0.469 125 D N -0.377 120.002 120.400 -0.035 0.000 2.527 125 D HA 0.163 4.803 4.640 0.000 0.000 0.224 125 D C -0.468 175.817 176.300 -0.024 0.000 1.217 125 D CA -0.162 53.814 54.000 -0.040 0.000 0.819 125 D CB 0.607 41.383 40.800 -0.041 0.000 1.061 125 D HN 0.224 nan 8.370 nan 0.000 0.515 126 K N 0.283 120.674 120.400 -0.014 0.000 2.527 126 K HA 0.496 4.816 4.320 0.000 0.000 0.260 126 K C -2.974 173.628 176.600 0.003 0.000 0.937 126 K CA -1.846 54.440 56.287 -0.002 0.000 0.826 126 K CB 2.511 35.010 32.500 -0.001 0.000 1.359 126 K HN -0.209 nan 8.250 nan 0.000 0.434 127 P HA 0.006 nan 4.420 nan 0.000 0.271 127 P C -0.736 176.572 177.300 0.013 0.000 1.233 127 P CA -0.151 62.958 63.100 0.015 0.000 0.789 127 P CB 0.334 32.049 31.700 0.025 0.000 0.951 128 T N 3.521 118.085 114.554 0.016 0.000 2.817 128 T HA 0.141 4.491 4.350 0.000 0.000 0.295 128 T C -2.103 172.617 174.700 0.034 0.000 0.958 128 T CA -0.623 61.492 62.100 0.026 0.000 1.157 128 T CB -0.673 68.218 68.868 0.038 0.000 0.898 128 T HN 0.289 nan 8.240 nan 0.000 0.536 129 P HA 0.040 nan 4.420 nan 0.000 0.261 129 P C 0.737 178.053 177.300 0.027 0.000 1.183 129 P CA -0.268 62.845 63.100 0.023 0.000 0.761 129 P CB 0.382 32.091 31.700 0.016 0.000 0.785 130 L N 3.817 125.055 121.223 0.023 0.000 2.081 130 L HA -0.237 4.103 4.340 0.000 0.000 0.212 130 L C 2.345 179.219 176.870 0.007 0.000 1.080 130 L CA 1.849 56.703 54.840 0.022 0.000 0.754 130 L CB -1.140 40.930 42.059 0.018 0.000 0.893 130 L HN 0.514 nan 8.230 nan 0.000 0.433 131 E N -0.282 119.917 120.200 -0.002 0.000 2.204 131 E HA -0.234 4.116 4.350 0.000 0.000 0.195 131 E C 1.602 178.177 176.600 -0.042 0.000 0.990 131 E CA 1.490 57.878 56.400 -0.020 0.000 0.821 131 E CB -0.275 29.414 29.700 -0.018 0.000 0.750 131 E HN 0.646 nan 8.360 nan 0.000 0.477 132 E N 0.363 120.550 120.200 -0.023 0.000 2.099 132 E HA -0.011 4.339 4.350 0.000 0.000 0.191 132 E C 2.149 178.739 176.600 -0.017 0.000 0.962 132 E CA 0.303 56.677 56.400 -0.043 0.000 0.826 132 E CB -0.137 29.588 29.700 0.042 0.000 0.788 132 E HN 0.077 nan 8.360 nan 0.000 0.461 133 L N 1.619 122.883 121.223 0.068 0.000 1.971 133 L HA -0.204 4.136 4.340 0.000 0.000 0.215 133 L C 2.289 179.212 176.870 0.088 0.000 1.072 133 L CA 1.532 56.449 54.840 0.129 0.000 0.758 133 L CB -0.715 41.417 42.059 0.123 0.000 0.889 133 L HN 0.149 nan 8.230 nan 0.000 0.433 134 L N -0.064 121.171 121.223 0.019 0.000 2.013 134 L HA -0.153 4.187 4.340 0.000 0.000 0.212 134 L C -0.453 176.403 176.870 -0.023 0.000 1.073 134 L CA 2.256 57.084 54.840 -0.020 0.000 0.753 134 L CB -1.815 40.227 42.059 -0.029 0.000 0.890 134 L HN 0.204 nan 8.230 nan 0.000 0.432 135 P HA -0.159 nan 4.420 nan 0.000 0.215 135 P C 1.314 178.601 177.300 -0.021 0.000 1.157 135 P CA 1.662 64.705 63.100 -0.094 0.000 0.868 135 P CB -0.229 31.341 31.700 -0.216 0.000 0.788 136 H N -0.762 118.353 119.070 0.076 0.000 2.387 136 H HA 0.009 4.565 4.556 0.000 0.000 0.299 136 H C 1.952 177.384 175.328 0.173 0.000 1.090 136 H CA 1.538 57.657 56.048 0.119 0.000 1.332 136 H CB -1.021 28.808 29.762 0.110 0.000 1.386 136 H HN 0.053 nan 8.280 nan 0.000 0.516 137 A N 1.483 124.450 122.820 0.245 0.000 1.877 137 A HA -0.126 4.194 4.320 0.000 0.000 0.216 137 A C 2.474 180.150 177.584 0.153 0.000 1.186 137 A CA 1.304 53.433 52.037 0.154 0.000 0.620 137 A CB -0.503 18.363 19.000 -0.224 0.000 0.822 137 A HN 0.185 nan 8.150 nan 0.000 0.443 138 I N 0.081 120.702 120.570 0.085 0.000 2.226 138 I HA -0.221 3.949 4.170 0.000 0.000 0.245 138 I C 2.457 178.664 176.117 0.152 0.000 1.100 138 I CA 2.047 63.401 61.300 0.090 0.000 1.374 138 I CB -1.390 36.636 38.000 0.043 0.000 1.057 138 I HN 0.579 nan 8.210 nan 0.000 0.413 139 E N 1.338 121.644 120.200 0.176 0.000 2.070 139 E HA -0.303 4.047 4.350 0.000 0.000 0.197 139 E C 2.260 179.005 176.600 0.242 0.000 1.004 139 E CA 1.745 58.263 56.400 0.195 0.000 0.805 139 E CB -0.623 29.212 29.700 0.225 0.000 0.744 139 E HN 0.351 nan 8.360 nan 0.000 0.451 140 F N 0.711 120.769 119.950 0.181 0.000 2.113 140 F HA -0.103 4.424 4.527 0.000 0.000 0.297 140 F C 1.902 177.830 175.800 0.214 0.000 1.103 140 F CA 1.296 59.421 58.000 0.209 0.000 1.248 140 F CB -0.271 38.870 39.000 0.236 0.000 0.999 140 F HN 0.064 nan 8.300 nan 0.000 0.475 141 I N 1.046 121.645 120.570 0.049 0.000 2.248 141 I HA -0.327 3.843 4.170 0.000 0.000 0.248 141 I C 1.972 178.110 176.117 0.035 0.000 1.107 141 I CA 1.278 62.595 61.300 0.028 0.000 1.373 141 I CB -1.619 36.507 38.000 0.209 0.000 1.055 141 I HN 0.273 nan 8.210 nan 0.000 0.418 142 N N 0.614 119.359 118.700 0.076 0.000 2.142 142 N HA -0.208 4.532 4.740 0.000 0.000 0.186 142 N C 1.850 177.323 175.510 -0.060 0.000 1.023 142 N CA 0.967 54.061 53.050 0.073 0.000 0.852 142 N CB -0.335 38.250 38.487 0.163 0.000 0.998 142 N HN 0.521 nan 8.380 nan 0.000 0.424 143 Q N -0.259 119.500 119.800 -0.068 0.000 2.050 143 Q HA -0.188 4.152 4.340 0.000 0.000 0.202 143 Q C 2.044 177.863 176.000 -0.301 0.000 0.980 143 Q CA 1.200 56.961 55.803 -0.071 0.000 0.840 143 Q CB -0.228 28.561 28.738 0.086 0.000 0.898 143 Q HN 0.492 nan 8.270 nan 0.000 0.424 144 Y N -0.259 119.592 120.300 -0.747 0.000 2.097 144 Y HA -0.324 4.226 4.550 0.000 0.000 0.282 144 Y C 1.644 176.957 175.900 -0.978 0.000 1.152 144 Y CA 2.083 59.419 58.100 -1.275 0.000 1.136 144 Y CB -0.346 37.361 38.460 -1.255 0.000 0.975 144 Y HN 0.191 nan 8.280 nan 0.000 0.498 145 Y N -0.163 119.743 120.300 -0.658 0.000 2.352 145 Y HA -0.032 4.518 4.550 0.000 0.000 0.292 145 Y C 2.552 178.258 175.900 -0.323 0.000 1.136 145 Y CA 1.169 58.980 58.100 -0.482 0.000 1.227 145 Y CB -0.752 37.286 38.460 -0.702 0.000 0.991 145 Y HN 0.243 nan 8.280 nan 0.000 0.545 146 G N -1.322 107.348 108.800 -0.218 0.000 2.744 146 G HA2 -0.161 3.799 3.960 0.000 0.000 0.211 146 G HA3 -0.161 3.799 3.960 0.000 0.000 0.211 146 G C 1.685 176.490 174.900 -0.158 0.000 1.143 146 G CA 0.880 45.916 45.100 -0.107 0.000 0.788 146 G HN 0.457 nan 8.290 nan 0.000 0.534 147 S N -0.105 115.368 115.700 -0.377 0.000 2.446 147 S HA 0.228 4.698 4.470 0.000 0.000 0.225 147 S C 0.684 175.068 174.600 -0.359 0.000 1.016 147 S CA -0.464 57.516 58.200 -0.366 0.000 0.943 147 S CB -0.269 62.633 63.200 -0.496 0.000 0.786 147 S HN 0.020 nan 8.310 nan 0.000 0.508 148 F N 2.852 122.652 119.950 -0.250 0.000 2.518 148 F HA 0.375 4.902 4.527 0.000 0.000 0.359 148 F C 1.629 177.372 175.800 -0.096 0.000 1.118 148 F CA -0.537 57.352 58.000 -0.184 0.000 1.287 148 F CB 0.641 39.507 39.000 -0.223 0.000 1.132 148 F HN 0.053 nan 8.300 nan 0.000 0.587 149 K N 0.871 121.356 120.400 0.141 0.000 1.991 149 K HA -0.068 4.252 4.320 0.000 0.000 0.207 149 K C 0.086 176.724 176.600 0.063 0.000 1.045 149 K CA 1.132 57.463 56.287 0.072 0.000 0.937 149 K CB 0.107 32.640 32.500 0.055 0.000 0.720 149 K HN 0.463 nan 8.250 nan 0.000 0.438 150 E N 1.637 121.872 120.200 0.058 0.000 1.963 150 E HA 0.181 4.531 4.350 0.000 0.000 0.274 150 E C -0.846 175.757 176.600 0.006 0.000 1.061 150 E CA -0.176 56.235 56.400 0.017 0.000 0.847 150 E CB 1.073 30.766 29.700 -0.011 0.000 1.083 150 E HN 0.362 nan 8.360 nan 0.000 0.402 151 A N 3.652 126.490 122.820 0.030 0.000 2.586 151 A HA -0.036 4.284 4.320 0.000 0.000 0.231 151 A C 0.410 177.990 177.584 -0.007 0.000 1.055 151 A CA 0.445 52.507 52.037 0.042 0.000 0.756 151 A CB 0.248 19.282 19.000 0.056 0.000 0.988 151 A HN 0.473 nan 8.150 nan 0.000 0.509 152 K N 2.497 122.904 120.400 0.012 0.000 3.022 152 K HA 0.312 4.632 4.320 0.000 0.000 0.178 152 K C 0.507 177.122 176.600 0.025 0.000 1.089 152 K CA -0.138 56.139 56.287 -0.016 0.000 0.916 152 K CB 0.308 32.759 32.500 -0.081 0.000 1.159 152 K HN 0.704 nan 8.250 nan 0.000 0.592 153 I N 0.377 120.959 120.570 0.021 0.000 2.145 153 I HA -0.403 3.767 4.170 0.000 0.000 0.244 153 I C 2.416 178.500 176.117 -0.055 0.000 1.075 153 I CA 1.612 62.912 61.300 0.000 0.000 1.332 153 I CB -0.172 37.816 38.000 -0.020 0.000 1.033 153 I HN 0.559 nan 8.210 nan 0.000 0.410 154 E N 1.320 121.490 120.200 -0.050 0.000 2.033 154 E HA -0.279 4.071 4.350 0.000 0.000 0.199 154 E C 2.121 178.677 176.600 -0.073 0.000 1.011 154 E CA 1.819 58.184 56.400 -0.058 0.000 0.815 154 E CB -0.036 29.640 29.700 -0.039 0.000 0.755 154 E HN 0.508 nan 8.360 nan 0.000 0.451 155 E N -0.751 119.413 120.200 -0.060 0.000 2.110 155 E HA -0.235 4.115 4.350 0.000 0.000 0.193 155 E C 2.085 178.513 176.600 -0.286 0.000 0.988 155 E CA 1.130 57.496 56.400 -0.056 0.000 0.804 155 E CB -0.286 29.468 29.700 0.090 0.000 0.745 155 E HN 0.490 nan 8.360 nan 0.000 0.458 156 H N 0.571 119.228 119.070 -0.688 0.000 2.289 156 H HA -0.153 4.403 4.556 0.000 0.000 0.296 156 H C 2.171 177.180 175.328 -0.532 0.000 1.091 156 H CA 0.991 56.365 56.048 -1.123 0.000 1.274 156 H CB 0.178 29.549 29.762 -0.652 0.000 1.364 156 H HN 0.056 nan 8.280 nan 0.000 0.490 157 L N 0.616 121.687 121.223 -0.254 0.000 2.042 157 L HA -0.163 4.177 4.340 0.000 0.000 0.210 157 L C 2.968 179.763 176.870 -0.126 0.000 1.076 157 L CA 1.521 56.230 54.840 -0.218 0.000 0.749 157 L CB -1.657 40.295 42.059 -0.178 0.000 0.893 157 L HN 0.466 nan 8.230 nan 0.000 0.432 158 A N -0.128 122.632 122.820 -0.100 0.000 1.902 158 A HA -0.255 4.065 4.320 0.000 0.000 0.217 158 A C 2.430 180.006 177.584 -0.015 0.000 1.181 158 A CA 1.806 53.816 52.037 -0.045 0.000 0.623 158 A CB -0.468 18.519 19.000 -0.022 0.000 0.818 158 A HN 0.291 nan 8.150 nan 0.000 0.443 159 R N 0.061 120.551 120.500 -0.016 0.000 2.081 159 R HA -0.003 4.337 4.340 0.000 0.000 0.235 159 R C 1.922 178.256 176.300 0.058 0.000 1.131 159 R CA 1.562 57.707 56.100 0.074 0.000 0.960 159 R CB -0.917 29.500 30.300 0.194 0.000 0.856 159 R HN 0.527 nan 8.270 nan 0.000 0.436 160 L N 0.184 121.419 121.223 0.020 0.000 2.012 160 L HA -0.209 4.131 4.340 0.000 0.000 0.210 160 L C 2.562 179.423 176.870 -0.015 0.000 1.073 160 L CA 2.147 56.992 54.840 0.009 0.000 0.748 160 L CB -0.549 41.490 42.059 -0.033 0.000 0.891 160 L HN 0.428 nan 8.230 nan 0.000 0.431 161 E N 0.054 120.240 120.200 -0.023 0.000 2.047 161 E HA -0.219 4.131 4.350 0.000 0.000 0.191 161 E C 2.209 178.806 176.600 -0.004 0.000 0.987 161 E CA 1.103 57.491 56.400 -0.020 0.000 0.799 161 E CB -0.004 29.681 29.700 -0.024 0.000 0.752 161 E HN 0.440 nan 8.360 nan 0.000 0.449 162 A N 0.555 123.383 122.820 0.013 0.000 1.902 162 A HA -0.138 4.182 4.320 0.000 0.000 0.217 162 A C 2.401 180.005 177.584 0.034 0.000 1.181 162 A CA 1.490 53.546 52.037 0.033 0.000 0.623 162 A CB -0.684 18.349 19.000 0.055 0.000 0.818 162 A HN 0.235 nan 8.150 nan 0.000 0.443 163 V N -0.192 119.732 119.914 0.017 0.000 2.295 163 V HA -0.231 3.889 4.120 0.000 0.000 0.246 163 V C 2.755 178.804 176.094 -0.076 0.000 1.049 163 V CA 2.473 64.746 62.300 -0.045 0.000 1.024 163 V CB -1.334 30.398 31.823 -0.151 0.000 0.648 163 V HN 0.619 nan 8.190 nan 0.000 0.447 164 T N -0.399 114.119 114.554 -0.060 0.000 2.684 164 T HA -0.245 4.105 4.350 0.000 0.000 0.267 164 T C 2.020 176.711 174.700 -0.015 0.000 1.036 164 T CA 1.672 63.744 62.100 -0.046 0.000 1.148 164 T CB -0.262 68.585 68.868 -0.034 0.000 0.863 164 T HN 0.273 nan 8.240 nan 0.000 0.436 165 K N 1.117 121.517 120.400 -0.000 0.000 2.057 165 K HA -0.014 4.306 4.320 0.000 0.000 0.207 165 K C 2.248 178.866 176.600 0.029 0.000 1.049 165 K CA 1.167 57.462 56.287 0.013 0.000 0.931 165 K CB -0.378 32.131 32.500 0.016 0.000 0.714 165 K HN 0.471 nan 8.250 nan 0.000 0.440 166 E N 0.223 120.450 120.200 0.045 0.000 2.085 166 E HA -0.170 4.180 4.350 0.000 0.000 0.194 166 E C 1.790 178.438 176.600 0.080 0.000 0.994 166 E CA 1.204 57.649 56.400 0.076 0.000 0.801 166 E CB -0.045 29.729 29.700 0.123 0.000 0.743 166 E HN 0.246 nan 8.360 nan 0.000 0.453 167 I N 0.671 121.280 120.570 0.064 0.000 2.252 167 I HA -0.222 3.948 4.170 0.000 0.000 0.245 167 I C 2.319 178.462 176.117 0.044 0.000 1.102 167 I CA 1.088 62.428 61.300 0.066 0.000 1.385 167 I CB -0.275 37.744 38.000 0.031 0.000 1.064 167 I HN 0.148 nan 8.210 nan 0.000 0.414 168 E N 0.359 120.575 120.200 0.027 0.000 2.077 168 E HA -0.221 4.129 4.350 0.000 0.000 0.193 168 E C 2.126 178.741 176.600 0.025 0.000 0.989 168 E CA 2.086 58.498 56.400 0.021 0.000 0.800 168 E CB -0.048 29.660 29.700 0.012 0.000 0.746 168 E HN 0.593 nan 8.360 nan 0.000 0.452 169 T N -2.716 111.856 114.554 0.031 0.000 3.057 169 T HA -0.003 4.347 4.350 0.000 0.000 0.254 169 T C 1.847 176.568 174.700 0.036 0.000 1.094 169 T CA 1.109 63.228 62.100 0.030 0.000 1.088 169 T CB 0.207 69.093 68.868 0.030 0.000 0.934 169 T HN 0.161 nan 8.240 nan 0.000 0.497 170 T N -3.290 111.292 114.554 0.046 0.000 2.975 170 T HA 0.515 4.865 4.350 0.000 0.000 0.261 170 T C 1.872 176.603 174.700 0.051 0.000 0.984 170 T CA 0.679 62.808 62.100 0.048 0.000 0.911 170 T CB 0.020 68.922 68.868 0.057 0.000 1.127 170 T HN 0.860 nan 8.240 nan 0.000 0.514 171 G N 0.302 109.136 108.800 0.056 0.000 2.179 171 G HA2 -0.173 3.787 3.960 0.000 0.000 0.260 171 G HA3 -0.173 3.787 3.960 0.000 0.000 0.260 171 G C 0.195 175.142 174.900 0.079 0.000 0.977 171 G CA 0.635 45.769 45.100 0.056 0.000 0.641 171 G HN 1.054 nan 8.290 nan 0.000 0.533 172 T N -1.531 113.088 114.554 0.109 0.000 2.653 172 T HA 0.646 4.996 4.350 0.000 0.000 0.306 172 T C -1.869 172.988 174.700 0.263 0.000 1.426 172 T CA 0.444 62.641 62.100 0.162 0.000 1.008 172 T CB 1.155 70.058 68.868 0.060 0.000 1.692 172 T HN 1.655 nan 8.240 nan 0.000 0.483 173 Y N -0.129 120.184 120.300 0.021 0.000 2.581 173 Y HA 0.785 5.335 4.550 0.000 0.000 0.337 173 Y C -1.362 174.562 175.900 0.040 0.000 1.108 173 Y CA -1.202 56.921 58.100 0.039 0.000 1.033 173 Y CB 1.022 39.518 38.460 0.061 0.000 1.318 173 Y HN 0.374 nan 8.280 nan 0.000 0.459 174 Q N 3.269 123.088 119.800 0.032 0.000 2.290 174 Q HA 0.458 4.798 4.340 0.000 0.000 0.259 174 Q C -0.622 175.396 176.000 0.029 0.000 0.941 174 Q CA -0.652 55.129 55.803 -0.037 0.000 0.912 174 Q CB 2.494 31.249 28.738 0.029 0.000 1.244 174 Q HN 0.867 nan 8.270 nan 0.000 0.441 175 L N 1.771 122.977 121.223 -0.029 0.000 2.452 175 L HA 0.192 4.532 4.340 0.000 0.000 0.267 175 L C 1.136 178.043 176.870 0.061 0.000 1.188 175 L CA -0.228 54.651 54.840 0.065 0.000 0.821 175 L CB 0.378 42.461 42.059 0.039 0.000 1.102 175 L HN 0.647 nan 8.230 nan 0.000 0.470 176 T N -0.778 113.811 114.554 0.058 0.000 2.868 176 T HA 0.127 4.477 4.350 0.000 0.000 0.292 176 T C 0.974 175.672 174.700 -0.002 0.000 1.028 176 T CA -0.779 61.338 62.100 0.030 0.000 1.059 176 T CB 1.134 70.017 68.868 0.025 0.000 0.991 176 T HN 0.470 nan 8.240 nan 0.000 0.531 177 L N 0.993 122.218 121.223 0.003 0.000 2.043 177 L HA -0.086 4.254 4.340 0.000 0.000 0.212 177 L C 1.967 178.835 176.870 -0.003 0.000 1.075 177 L CA 2.014 56.848 54.840 -0.010 0.000 0.752 177 L CB -1.194 40.862 42.059 -0.004 0.000 0.891 177 L HN 0.759 nan 8.230 nan 0.000 0.432 178 D N -0.446 119.964 120.400 0.016 0.000 2.117 178 D HA -0.183 4.457 4.640 0.000 0.000 0.197 178 D C 2.136 178.435 176.300 -0.002 0.000 0.987 178 D CA 1.432 55.471 54.000 0.065 0.000 0.829 178 D CB 0.013 40.914 40.800 0.168 0.000 0.961 178 D HN 0.534 nan 8.370 nan 0.000 0.460 179 E N -0.097 119.959 120.200 -0.239 0.000 2.077 179 E HA -0.158 4.192 4.350 0.000 0.000 0.193 179 E C 2.054 178.736 176.600 0.138 0.000 0.989 179 E CA 0.382 56.604 56.400 -0.297 0.000 0.800 179 E CB -0.076 29.492 29.700 -0.220 0.000 0.746 179 E HN 0.113 nan 8.360 nan 0.000 0.452 180 L N 1.153 122.399 121.223 0.038 0.000 2.017 180 L HA -0.160 4.180 4.340 0.000 0.000 0.208 180 L C 2.037 178.906 176.870 -0.001 0.000 1.073 180 L CA 1.550 56.375 54.840 -0.025 0.000 0.745 180 L CB -0.283 41.709 42.059 -0.112 0.000 0.894 180 L HN 0.129 nan 8.230 nan 0.000 0.432 181 I N -1.077 119.510 120.570 0.028 0.000 2.163 181 I HA -0.350 3.820 4.170 0.000 0.000 0.243 181 I C 2.421 178.615 176.117 0.128 0.000 1.085 181 I CA 1.955 63.278 61.300 0.038 0.000 1.347 181 I CB -0.471 37.555 38.000 0.043 0.000 1.044 181 I HN 0.359 nan 8.210 nan 0.000 0.408 182 F N 1.696 121.693 119.950 0.078 0.000 2.171 182 F HA -0.243 4.284 4.527 0.000 0.000 0.300 182 F C 2.453 178.352 175.800 0.165 0.000 1.090 182 F CA 1.503 59.593 58.000 0.150 0.000 1.293 182 F CB -0.199 38.946 39.000 0.242 0.000 1.013 182 F HN 0.003 nan 8.300 nan 0.000 0.486 183 A N 0.164 123.093 122.820 0.182 0.000 1.877 183 A HA -0.211 4.109 4.320 0.000 0.000 0.216 183 A C 2.283 179.780 177.584 -0.146 0.000 1.186 183 A CA 2.520 54.560 52.037 0.006 0.000 0.620 183 A CB -1.663 17.318 19.000 -0.031 0.000 0.822 183 A HN 0.548 nan 8.150 nan 0.000 0.443 184 T N -1.503 112.996 114.554 -0.092 0.000 2.746 184 T HA -0.170 4.180 4.350 0.000 0.000 0.267 184 T C 1.808 176.528 174.700 0.034 0.000 1.039 184 T CA 1.691 63.764 62.100 -0.045 0.000 1.142 184 T CB -0.365 68.494 68.868 -0.016 0.000 0.866 184 T HN 0.544 nan 8.240 nan 0.000 0.444 185 K N 0.242 120.676 120.400 0.057 0.000 2.057 185 K HA 0.086 4.406 4.320 0.000 0.000 0.206 185 K C 2.548 179.228 176.600 0.132 0.000 1.050 185 K CA 1.220 57.638 56.287 0.217 0.000 0.935 185 K CB -0.236 32.394 32.500 0.217 0.000 0.715 185 K HN 0.252 nan 8.250 nan 0.000 0.439 186 M N 0.556 120.050 119.600 -0.177 0.000 2.175 186 M HA -0.079 4.401 4.480 0.000 0.000 0.264 186 M C 2.431 178.561 176.300 -0.284 0.000 1.063 186 M CA 1.357 56.449 55.300 -0.347 0.000 1.119 186 M CB -1.022 31.260 32.600 -0.529 0.000 1.377 186 M HN 0.165 nan 8.290 nan 0.000 0.415 187 A N -0.646 121.973 122.820 -0.336 0.000 1.902 187 A HA -0.212 4.108 4.320 0.000 0.000 0.217 187 A C 2.010 179.360 177.584 -0.391 0.000 1.181 187 A CA 1.474 53.156 52.037 -0.591 0.000 0.623 187 A CB -1.133 17.107 19.000 -1.266 0.000 0.818 187 A HN 0.670 nan 8.150 nan 0.000 0.443 188 W N 0.947 122.076 121.300 -0.285 0.000 2.355 188 W HA -0.122 4.538 4.660 0.000 0.000 0.309 188 W C 2.309 178.729 176.519 -0.165 0.000 1.206 188 W CA 1.506 58.784 57.345 -0.112 0.000 1.284 188 W CB -0.719 28.708 29.460 -0.055 0.000 1.145 188 W HN 0.365 nan 8.180 nan 0.000 0.502 189 R N 0.325 120.749 120.500 -0.126 0.000 2.127 189 R HA -0.179 4.161 4.340 0.000 0.000 0.238 189 R C 1.093 177.230 176.300 -0.272 0.000 1.134 189 R CA 1.738 57.592 56.100 -0.410 0.000 0.975 189 R CB -0.487 29.350 30.300 -0.772 0.000 0.865 189 R HN 0.063 nan 8.270 nan 0.000 0.447 190 N N -0.072 118.503 118.700 -0.209 0.000 2.268 190 N HA 0.083 4.823 4.740 0.000 0.000 0.204 190 N C -0.909 174.522 175.510 -0.132 0.000 1.124 190 N CA 0.333 53.295 53.050 -0.147 0.000 0.838 190 N CB 1.236 39.671 38.487 -0.087 0.000 0.994 190 N HN 0.145 nan 8.380 nan 0.000 0.489 191 A N 1.534 124.270 122.820 -0.140 0.000 2.415 191 A HA 0.371 4.691 4.320 0.000 0.000 0.309 191 A C -1.382 176.138 177.584 -0.107 0.000 1.356 191 A CA -1.122 50.799 52.037 -0.193 0.000 0.998 191 A CB 0.579 19.526 19.000 -0.089 0.000 1.145 191 A HN -0.038 nan 8.150 nan 0.000 0.545 192 P HA -0.116 nan 4.420 nan 0.000 0.222 192 P C 1.068 178.309 177.300 -0.098 0.000 1.147 192 P CA 1.111 64.158 63.100 -0.089 0.000 0.790 192 P CB 0.177 31.820 31.700 -0.094 0.000 0.780 193 R N -2.183 118.217 120.500 -0.166 0.000 2.317 193 R HA 0.155 4.495 4.340 0.000 0.000 0.208 193 R C 0.324 176.621 176.300 -0.005 0.000 0.914 193 R CA -0.122 55.902 56.100 -0.128 0.000 1.060 193 R CB -0.372 29.641 30.300 -0.479 0.000 1.015 193 R HN 0.186 nan 8.270 nan 0.000 0.498 194 C N 0.857 120.142 119.300 -0.025 0.000 2.307 194 C HA 0.290 4.750 4.460 0.000 0.000 0.340 194 C C 1.626 176.597 174.990 -0.032 0.000 1.275 194 C CA -0.817 58.222 59.018 0.035 0.000 1.811 194 C CB -0.223 27.604 27.740 0.145 0.000 2.372 194 C HN 0.464 nan 8.230 nan 0.000 0.531 195 I N 4.488 125.021 120.570 -0.061 0.000 3.419 195 I HA 0.252 4.422 4.170 0.000 0.000 0.286 195 I C 1.906 178.085 176.117 0.102 0.000 1.268 195 I CA 1.278 62.498 61.300 -0.133 0.000 1.414 195 I CB 0.099 38.021 38.000 -0.131 0.000 1.074 195 I HN 0.865 nan 8.210 nan 0.000 0.457 196 G N -0.168 108.698 108.800 0.109 0.000 3.284 196 G HA2 0.013 3.973 3.960 0.000 0.000 0.236 196 G HA3 0.013 3.973 3.960 0.000 0.000 0.236 196 G C 1.338 176.241 174.900 0.006 0.000 1.158 196 G CA -0.333 44.829 45.100 0.103 0.000 0.774 196 G HN 0.254 nan 8.290 nan 0.000 0.545 197 R N -0.122 120.303 120.500 -0.124 0.000 2.397 197 R HA 0.063 4.403 4.340 0.000 0.000 0.213 197 R C 1.902 177.663 176.300 -0.899 0.000 1.102 197 R CA 0.254 55.955 56.100 -0.665 0.000 1.040 197 R CB -0.217 29.733 30.300 -0.584 0.000 0.844 197 R HN 0.439 nan 8.270 nan 0.000 0.478 198 I N 0.810 121.067 120.570 -0.522 0.000 2.614 198 I HA -0.208 3.962 4.170 0.000 0.000 0.258 198 I C 1.368 177.372 176.117 -0.189 0.000 1.189 198 I CA 1.141 62.307 61.300 -0.222 0.000 1.462 198 I CB 0.184 38.184 38.000 0.001 0.000 1.092 198 I HN 0.166 nan 8.210 nan 0.000 0.442 199 Q N 0.587 120.186 119.800 -0.335 0.000 2.320 199 Q HA -0.084 4.256 4.340 0.000 0.000 0.201 199 Q C 1.555 177.058 176.000 -0.830 0.000 0.910 199 Q CA 0.202 55.793 55.803 -0.354 0.000 0.946 199 Q CB -0.132 28.557 28.738 -0.082 0.000 1.062 199 Q HN 0.761 nan 8.270 nan 0.000 0.503 200 W N 1.196 121.723 121.300 -1.289 0.000 2.292 200 W HA -0.259 4.401 4.660 0.000 0.000 0.304 200 W C 1.304 177.518 176.519 -0.508 0.000 1.228 200 W CA 1.680 58.178 57.345 -1.411 0.000 1.241 200 W CB -1.310 27.559 29.460 -0.984 0.000 1.142 200 W HN 0.176 nan 8.180 nan 0.000 0.520 201 S N 0.403 115.269 115.700 -1.390 0.000 2.527 201 S HA -0.060 4.410 4.470 0.000 0.000 0.222 201 S C 0.723 175.050 174.600 -0.454 0.000 0.985 201 S CA 0.494 58.014 58.200 -1.134 0.000 0.921 201 S CB -0.651 61.699 63.200 -1.417 0.000 0.772 201 S HN 0.197 nan 8.310 nan 0.000 0.529 202 N N 1.356 119.888 118.700 -0.279 0.000 2.767 202 N HA 0.479 5.219 4.740 0.000 0.000 0.238 202 N C -1.382 174.200 175.510 0.119 0.000 1.083 202 N CA -0.528 52.488 53.050 -0.056 0.000 0.964 202 N CB 0.377 38.860 38.487 -0.005 0.000 1.252 202 N HN 0.419 nan 8.380 nan 0.000 0.512 203 L N 2.019 123.282 121.223 0.066 0.000 2.516 203 L HA 0.426 4.766 4.340 0.000 0.000 0.267 203 L C -0.948 175.877 176.870 -0.076 0.000 0.957 203 L CA -0.646 54.231 54.840 0.061 0.000 0.860 203 L CB 1.852 44.000 42.059 0.150 0.000 1.265 203 L HN 0.334 nan 8.230 nan 0.000 0.403 204 Q N 2.996 122.703 119.800 -0.155 0.000 2.288 204 Q HA 0.622 4.962 4.340 0.000 0.000 0.254 204 Q C -1.641 174.010 176.000 -0.583 0.000 0.932 204 Q CA -0.090 55.468 55.803 -0.408 0.000 0.902 204 Q CB 1.499 29.895 28.738 -0.569 0.000 1.203 204 Q HN 0.536 nan 8.270 nan 0.000 0.415 205 V N 5.496 125.048 119.914 -0.603 0.000 2.448 205 V HA 0.461 4.581 4.120 0.000 0.000 0.295 205 V C -0.988 174.741 176.094 -0.608 0.000 1.025 205 V CA -0.616 61.383 62.300 -0.503 0.000 0.859 205 V CB 1.008 32.673 31.823 -0.264 0.000 0.988 205 V HN 0.675 nan 8.190 nan 0.000 0.431 206 F N 2.523 122.318 119.950 -0.258 0.000 2.361 206 F HA 0.393 4.920 4.527 0.000 0.000 0.364 206 F C 0.356 175.978 175.800 -0.297 0.000 1.117 206 F CA -1.224 56.617 58.000 -0.264 0.000 1.071 206 F CB 1.147 39.989 39.000 -0.264 0.000 1.188 206 F HN 0.438 nan 8.300 nan 0.000 0.464 207 D N 3.195 123.554 120.400 -0.068 0.000 2.352 207 D HA 0.394 5.034 4.640 0.000 0.000 0.245 207 D C 0.182 176.344 176.300 -0.230 0.000 1.224 207 D CA 0.153 54.059 54.000 -0.156 0.000 0.879 207 D CB 1.049 41.790 40.800 -0.098 0.000 1.057 207 D HN 0.597 nan 8.370 nan 0.000 0.491 208 A N 4.547 127.118 122.820 -0.414 0.000 2.637 208 A HA 0.164 4.484 4.320 0.000 0.000 0.293 208 A C 1.576 178.976 177.584 -0.307 0.000 1.216 208 A CA -0.411 51.282 52.037 -0.574 0.000 0.956 208 A CB 0.032 18.314 19.000 -1.198 0.000 1.174 208 A HN 0.543 nan 8.150 nan 0.000 0.525 209 R N 0.942 121.331 120.500 -0.185 0.000 2.328 209 R HA -0.088 4.252 4.340 0.000 0.000 0.207 209 R C 1.003 177.261 176.300 -0.070 0.000 1.056 209 R CA 1.168 57.212 56.100 -0.094 0.000 1.016 209 R CB 0.001 30.293 30.300 -0.015 0.000 0.872 209 R HN 0.707 nan 8.270 nan 0.000 0.471 210 N N -0.379 118.294 118.700 -0.046 0.000 2.230 210 N HA -0.042 4.698 4.740 0.000 0.000 0.202 210 N C 0.220 175.762 175.510 0.054 0.000 1.119 210 N CA -0.247 52.810 53.050 0.013 0.000 0.851 210 N CB -0.348 38.159 38.487 0.034 0.000 0.990 210 N HN -0.010 nan 8.380 nan 0.000 0.497 211 C N 0.422 119.739 119.300 0.028 0.000 2.703 211 C HA 0.347 4.807 4.460 0.000 0.000 0.411 211 C C 1.476 176.603 174.990 0.228 0.000 1.290 211 C CA 0.217 59.324 59.018 0.148 0.000 2.054 211 C CB -0.118 27.732 27.740 0.183 0.000 2.732 211 C HN 0.593 nan 8.230 nan 0.000 0.650 212 S N 0.136 116.033 115.700 0.328 0.000 2.784 212 S HA 0.156 4.626 4.470 0.000 0.000 0.266 212 S C 0.267 175.043 174.600 0.293 0.000 1.079 212 S CA 0.393 58.807 58.200 0.356 0.000 0.989 212 S CB 0.318 63.637 63.200 0.198 0.000 0.926 212 S HN 0.979 nan 8.310 nan 0.000 0.497 213 T N -0.578 114.119 114.554 0.239 0.000 2.930 213 T HA 0.831 5.181 4.350 0.000 0.000 0.290 213 T C 1.161 175.947 174.700 0.143 0.000 1.052 213 T CA -0.141 62.048 62.100 0.149 0.000 1.017 213 T CB 1.669 70.609 68.868 0.119 0.000 1.137 213 T HN 0.029 nan 8.240 nan 0.000 0.511 214 A N 0.548 123.428 122.820 0.100 0.000 1.902 214 A HA -0.099 4.221 4.320 0.000 0.000 0.217 214 A C 2.320 179.884 177.584 -0.033 0.000 1.181 214 A CA 2.162 54.251 52.037 0.087 0.000 0.623 214 A CB -1.292 17.854 19.000 0.243 0.000 0.818 214 A HN 0.904 nan 8.150 nan 0.000 0.443 215 Q N 0.266 120.118 119.800 0.085 0.000 2.135 215 Q HA -0.209 4.131 4.340 0.000 0.000 0.204 215 Q C 1.755 177.767 176.000 0.019 0.000 0.981 215 Q CA 2.402 58.222 55.803 0.028 0.000 0.856 215 Q CB -0.413 28.424 28.738 0.164 0.000 0.902 215 Q HN 0.767 nan 8.270 nan 0.000 0.425 216 E N -0.651 119.593 120.200 0.074 0.000 2.106 216 E HA -0.149 4.201 4.350 0.000 0.000 0.192 216 E C 2.057 178.769 176.600 0.187 0.000 0.984 216 E CA 1.287 57.747 56.400 0.100 0.000 0.806 216 E CB -0.146 29.661 29.700 0.179 0.000 0.750 216 E HN 0.456 nan 8.360 nan 0.000 0.458 217 M N 0.046 119.758 119.600 0.187 0.000 2.086 217 M HA -0.163 4.317 4.480 0.000 0.000 0.261 217 M C 2.217 178.597 176.300 0.134 0.000 1.067 217 M CA 1.301 56.721 55.300 0.200 0.000 1.116 217 M CB -0.298 32.230 32.600 -0.119 0.000 1.348 217 M HN 0.118 nan 8.290 nan 0.000 0.407 218 F N 1.396 121.177 119.950 -0.281 0.000 2.126 218 F HA -0.269 4.258 4.527 0.000 0.000 0.299 218 F C 2.285 177.975 175.800 -0.184 0.000 1.096 218 F CA 1.870 59.634 58.000 -0.392 0.000 1.255 218 F CB -0.493 37.946 39.000 -0.935 0.000 0.997 218 F HN 0.163 nan 8.300 nan 0.000 0.479 219 Q N -1.073 118.557 119.800 -0.282 0.000 2.084 219 Q HA -0.210 4.130 4.340 0.000 0.000 0.202 219 Q C 2.223 178.031 176.000 -0.320 0.000 0.978 219 Q CA 1.596 57.177 55.803 -0.369 0.000 0.844 219 Q CB -0.424 28.156 28.738 -0.263 0.000 0.898 219 Q HN 0.520 nan 8.270 nan 0.000 0.426 220 H N 0.280 119.281 119.070 -0.116 0.000 2.326 220 H HA -0.067 4.489 4.556 0.000 0.000 0.301 220 H C 2.158 177.411 175.328 -0.126 0.000 1.081 220 H CA 1.253 57.234 56.048 -0.111 0.000 1.334 220 H CB -0.081 29.697 29.762 0.027 0.000 1.385 220 H HN 0.246 nan 8.280 nan 0.000 0.504 221 I N -0.036 120.576 120.570 0.070 0.000 2.226 221 I HA -0.302 3.868 4.170 0.000 0.000 0.245 221 I C 2.699 178.748 176.117 -0.113 0.000 1.100 221 I CA 0.842 62.139 61.300 -0.005 0.000 1.374 221 I CB -0.271 37.735 38.000 0.010 0.000 1.057 221 I HN 0.219 nan 8.210 nan 0.000 0.413 222 C N 0.234 119.363 119.300 -0.285 0.000 2.429 222 C HA -0.140 4.320 4.460 0.000 0.000 0.277 222 C C 2.967 177.855 174.990 -0.171 0.000 1.262 222 C CA 0.600 59.443 59.018 -0.292 0.000 1.733 222 C CB -1.112 26.334 27.740 -0.491 0.000 2.010 222 C HN 0.454 nan 8.230 nan 0.000 0.483 223 R N 0.253 120.630 120.500 -0.206 0.000 2.096 223 R HA -0.151 4.190 4.340 0.000 0.000 0.235 223 R C 2.005 178.194 176.300 -0.184 0.000 1.127 223 R CA 1.935 57.900 56.100 -0.224 0.000 0.968 223 R CB -0.861 29.233 30.300 -0.345 0.000 0.861 223 R HN 0.783 nan 8.270 nan 0.000 0.440 224 H N -0.089 118.822 119.070 -0.265 0.000 2.270 224 H HA -0.039 4.517 4.556 0.000 0.000 0.299 224 H C 2.282 177.656 175.328 0.077 0.000 1.077 224 H CA 2.277 58.274 56.048 -0.084 0.000 1.294 224 H CB -0.128 29.618 29.762 -0.027 0.000 1.371 224 H HN 0.121 nan 8.280 nan 0.000 0.491 225 I N 0.084 120.801 120.570 0.246 0.000 2.151 225 I HA -0.286 3.884 4.170 0.000 0.000 0.243 225 I C 2.427 178.620 176.117 0.127 0.000 1.080 225 I CA 1.028 62.423 61.300 0.158 0.000 1.339 225 I CB -0.247 37.772 38.000 0.032 0.000 1.039 225 I HN 0.342 nan 8.210 nan 0.000 0.409 226 L N 0.214 121.484 121.223 0.078 0.000 2.017 226 L HA -0.276 4.064 4.340 0.000 0.000 0.208 226 L C 2.495 179.422 176.870 0.095 0.000 1.073 226 L CA 1.947 56.822 54.840 0.059 0.000 0.745 226 L CB -1.027 41.043 42.059 0.019 0.000 0.894 226 L HN 0.279 nan 8.230 nan 0.000 0.432 227 Y N 0.117 120.441 120.300 0.040 0.000 2.145 227 Y HA -0.216 4.334 4.550 0.000 0.000 0.286 227 Y C 2.347 178.306 175.900 0.098 0.000 1.145 227 Y CA 2.084 60.237 58.100 0.088 0.000 1.148 227 Y CB -0.580 37.995 38.460 0.192 0.000 0.981 227 Y HN 0.242 nan 8.280 nan 0.000 0.507 228 A N -0.638 122.283 122.820 0.168 0.000 1.902 228 A HA -0.164 4.156 4.320 0.000 0.000 0.217 228 A C 2.210 179.816 177.584 0.036 0.000 1.181 228 A CA 2.217 54.319 52.037 0.107 0.000 0.623 228 A CB -1.323 17.842 19.000 0.274 0.000 0.818 228 A HN 0.523 nan 8.150 nan 0.000 0.443 229 T N -0.101 114.487 114.554 0.057 0.000 2.777 229 T HA -0.122 4.228 4.350 0.000 0.000 0.266 229 T C 1.127 175.827 174.700 -0.001 0.000 1.040 229 T CA 1.241 63.371 62.100 0.051 0.000 1.141 229 T CB -0.449 68.452 68.868 0.055 0.000 0.868 229 T HN 0.634 nan 8.240 nan 0.000 0.444 230 N N 1.590 120.258 118.700 -0.054 0.000 2.702 230 N HA -0.263 4.477 4.740 0.000 0.000 0.255 230 N C -0.043 175.441 175.510 -0.043 0.000 0.983 230 N CA 0.946 53.945 53.050 -0.085 0.000 0.768 230 N CB -1.848 36.540 38.487 -0.166 0.000 0.918 230 N HN 0.453 nan 8.380 nan 0.000 0.540 231 N N -1.508 117.180 118.700 -0.020 0.000 2.735 231 N HA -0.200 4.540 4.740 0.000 0.000 0.248 231 N C 1.002 176.503 175.510 -0.016 0.000 1.083 231 N CA 2.398 55.439 53.050 -0.015 0.000 0.703 231 N CB -1.236 37.239 38.487 -0.019 0.000 1.005 231 N HN 1.214 nan 8.380 nan 0.000 0.550 232 G N -0.811 107.988 108.800 -0.002 0.000 2.284 232 G HA2 -0.348 3.612 3.960 0.000 0.000 0.230 232 G HA3 -0.348 3.612 3.960 0.000 0.000 0.230 232 G C 0.115 175.020 174.900 0.009 0.000 1.021 232 G CA 0.208 45.311 45.100 0.005 0.000 0.619 232 G HN 0.705 nan 8.290 nan 0.000 0.510 233 N N 2.320 121.009 118.700 -0.018 0.000 3.050 233 N HA 0.284 5.024 4.740 0.000 0.000 0.289 233 N C 0.899 176.400 175.510 -0.016 0.000 1.209 233 N CA -0.455 52.572 53.050 -0.038 0.000 1.154 233 N CB -0.553 37.901 38.487 -0.056 0.000 1.444 233 N HN 0.379 nan 8.380 nan 0.000 0.529 234 I N 1.687 122.286 120.570 0.048 0.000 2.919 234 I HA -0.112 4.058 4.170 0.000 0.000 0.303 234 I C 0.845 177.087 176.117 0.208 0.000 1.221 234 I CA 0.800 62.191 61.300 0.150 0.000 1.444 234 I CB -0.307 37.875 38.000 0.304 0.000 1.331 234 I HN 0.278 nan 8.210 nan 0.000 0.572 235 R N 3.796 124.382 120.500 0.143 0.000 2.561 235 R HA 0.399 4.739 4.340 0.000 0.000 0.297 235 R C -0.482 175.924 176.300 0.176 0.000 0.969 235 R CA -0.673 55.515 56.100 0.148 0.000 0.879 235 R CB 1.964 32.197 30.300 -0.111 0.000 1.178 235 R HN 0.548 nan 8.270 nan 0.000 0.445 236 S N 1.475 117.274 115.700 0.165 0.000 2.531 236 S HA 0.523 4.993 4.470 0.000 0.000 0.279 236 S C -0.347 174.269 174.600 0.027 0.000 1.305 236 S CA -0.255 57.953 58.200 0.014 0.000 1.058 236 S CB 1.262 64.395 63.200 -0.112 0.000 0.899 236 S HN 0.694 nan 8.310 nan 0.000 0.493 237 A N 2.919 125.723 122.820 -0.026 0.000 2.609 237 A HA 0.856 5.176 4.320 0.000 0.000 0.291 237 A C -1.332 176.214 177.584 -0.063 0.000 1.096 237 A CA -0.664 51.278 52.037 -0.158 0.000 0.684 237 A CB 1.203 20.045 19.000 -0.264 0.000 1.282 237 A HN 0.789 nan 8.150 nan 0.000 0.412 238 I N 0.219 120.721 120.570 -0.113 0.000 2.752 238 I HA 0.591 4.761 4.170 0.000 0.000 0.295 238 I C -1.215 174.955 176.117 0.088 0.000 1.219 238 I CA -0.131 61.246 61.300 0.129 0.000 1.030 238 I CB 2.435 40.447 38.000 0.020 0.000 1.259 238 I HN 0.610 nan 8.210 nan 0.000 0.423 239 T N 6.230 120.890 114.554 0.177 0.000 2.770 239 T HA 0.436 4.786 4.350 0.000 0.000 0.283 239 T C -0.654 173.842 174.700 -0.340 0.000 0.988 239 T CA -0.363 61.702 62.100 -0.057 0.000 0.957 239 T CB 1.487 70.306 68.868 -0.082 0.000 0.930 239 T HN 0.253 nan 8.240 nan 0.000 0.443 240 V N 5.084 124.752 119.914 -0.410 0.000 2.364 240 V HA 0.445 4.565 4.120 0.000 0.000 0.272 240 V C -0.246 175.547 176.094 -0.501 0.000 1.036 240 V CA -0.710 61.340 62.300 -0.416 0.000 0.880 240 V CB -0.052 31.505 31.823 -0.444 0.000 0.991 240 V HN 0.762 nan 8.190 nan 0.000 0.460 241 F N 5.092 124.975 119.950 -0.111 0.000 2.375 241 F HA 0.457 4.984 4.527 0.000 0.000 0.317 241 F C -1.793 173.930 175.800 -0.128 0.000 1.124 241 F CA -2.446 55.426 58.000 -0.213 0.000 1.050 241 F CB 0.678 39.556 39.000 -0.202 0.000 1.314 241 F HN 0.304 nan 8.300 nan 0.000 0.511 242 P HA -0.044 nan 4.420 nan 0.000 0.262 242 P C -1.094 176.242 177.300 0.060 0.000 1.182 242 P CA -0.018 63.014 63.100 -0.113 0.000 0.761 242 P CB 0.218 31.699 31.700 -0.365 0.000 0.795 243 Q N 3.529 123.310 119.800 -0.033 0.000 2.474 243 Q HA 0.055 4.395 4.340 0.000 0.000 0.256 243 Q C 0.166 176.063 176.000 -0.173 0.000 1.048 243 Q CA -0.440 55.095 55.803 -0.448 0.000 0.922 243 Q CB 0.683 28.834 28.738 -0.978 0.000 1.288 243 Q HN 0.345 nan 8.270 nan 0.000 0.484 244 R N 1.091 121.482 120.500 -0.182 0.000 2.489 244 R HA 0.003 4.343 4.340 0.000 0.000 0.287 244 R C 0.272 176.544 176.300 -0.046 0.000 1.053 244 R CA 0.720 56.793 56.100 -0.045 0.000 1.036 244 R CB 0.559 30.829 30.300 -0.050 0.000 0.966 244 R HN 0.932 nan 8.270 nan 0.000 0.432 245 S N 2.592 118.315 115.700 0.038 0.000 2.460 245 S HA -0.053 4.417 4.470 0.000 0.000 0.185 245 S C 0.822 175.453 174.600 0.052 0.000 0.908 245 S CA 0.450 58.677 58.200 0.046 0.000 0.894 245 S CB -0.109 63.148 63.200 0.095 0.000 0.855 245 S HN 0.832 nan 8.310 nan 0.000 0.574 246 D N -0.442 120.017 120.400 0.099 0.000 2.398 246 D HA 0.366 5.006 4.640 0.000 0.000 0.210 246 D C 1.342 177.651 176.300 0.015 0.000 1.094 246 D CA 0.605 54.642 54.000 0.061 0.000 0.839 246 D CB -0.011 40.843 40.800 0.092 0.000 0.963 246 D HN 0.820 nan 8.370 nan 0.000 0.506 247 G N 0.731 109.539 108.800 0.013 0.000 2.195 247 G HA2 -0.336 3.624 3.960 0.000 0.000 0.246 247 G HA3 -0.336 3.624 3.960 0.000 0.000 0.246 247 G C 1.024 175.877 174.900 -0.078 0.000 0.984 247 G CA 0.343 45.429 45.100 -0.024 0.000 0.633 247 G HN 0.426 nan 8.290 nan 0.000 0.525 248 K N -0.107 120.193 120.400 -0.168 0.000 2.353 248 K HA 0.210 4.530 4.320 0.000 0.000 0.195 248 K C 0.570 176.852 176.600 -0.530 0.000 1.031 248 K CA 0.237 56.309 56.287 -0.359 0.000 1.079 248 K CB 0.230 32.447 32.500 -0.471 0.000 0.857 248 K HN 0.536 nan 8.250 nan 0.000 0.535 249 H N 0.865 119.935 119.070 -0.001 0.000 2.528 249 H HA 0.196 4.752 4.556 0.000 0.000 0.256 249 H C -0.828 174.506 175.328 0.010 0.000 1.204 249 H CA -0.578 55.463 56.048 -0.012 0.000 0.955 249 H CB 0.151 29.924 29.762 0.019 0.000 1.817 249 H HN 0.020 nan 8.280 nan 0.000 0.579 250 D N 0.854 121.292 120.400 0.063 0.000 2.390 250 D HA 0.051 4.691 4.640 0.000 0.000 0.249 250 D C 0.102 176.443 176.300 0.069 0.000 1.144 250 D CA 0.284 54.351 54.000 0.112 0.000 0.880 250 D CB 0.622 41.464 40.800 0.071 0.000 1.182 250 D HN 0.063 nan 8.370 nan 0.000 0.451 251 F N 2.794 122.779 119.950 0.057 0.000 2.420 251 F HA 0.348 4.875 4.527 0.000 0.000 0.352 251 F C 1.028 176.841 175.800 0.020 0.000 1.108 251 F CA -0.090 57.914 58.000 0.007 0.000 1.162 251 F CB 0.734 39.726 39.000 -0.013 0.000 1.118 251 F HN -0.116 nan 8.300 nan 0.000 0.510 252 R N 3.552 124.137 120.500 0.141 0.000 2.668 252 R HA 0.507 4.847 4.340 0.000 0.000 0.272 252 R C -1.837 174.589 176.300 0.209 0.000 1.019 252 R CA -1.141 55.061 56.100 0.170 0.000 0.894 252 R CB 2.146 32.557 30.300 0.185 0.000 1.228 252 R HN 0.482 nan 8.270 nan 0.000 0.460 253 L N 1.634 122.973 121.223 0.194 0.000 2.287 253 L HA 0.371 4.711 4.340 0.000 0.000 0.287 253 L C 0.568 177.637 176.870 0.331 0.000 1.022 253 L CA -0.157 54.811 54.840 0.213 0.000 0.814 253 L CB 0.952 43.068 42.059 0.094 0.000 1.217 253 L HN 0.583 nan 8.230 nan 0.000 0.420 254 W N 0.658 122.018 121.300 0.100 0.000 2.678 254 W HA 0.033 4.693 4.660 0.000 0.000 0.256 254 W C 0.687 177.285 176.519 0.131 0.000 1.280 254 W CA -0.450 57.042 57.345 0.245 0.000 1.345 254 W CB -0.905 28.810 29.460 0.426 0.000 1.118 254 W HN 0.482 nan 8.180 nan 0.000 0.629 255 N N -0.144 118.643 118.700 0.145 0.000 2.482 255 N HA 0.032 4.772 4.740 0.000 0.000 0.260 255 N C 1.352 176.703 175.510 -0.264 0.000 1.236 255 N CA 0.829 53.690 53.050 -0.315 0.000 0.938 255 N CB 0.779 39.177 38.487 -0.149 0.000 1.128 255 N HN -0.127 nan 8.380 nan 0.000 0.448 256 S N 0.342 115.824 115.700 -0.363 0.000 2.425 256 S HA 0.036 4.506 4.470 0.000 0.000 0.225 256 S C 0.216 174.707 174.600 -0.183 0.000 1.024 256 S CA 0.452 58.529 58.200 -0.205 0.000 0.951 256 S CB 0.055 63.160 63.200 -0.159 0.000 0.796 256 S HN 0.650 nan 8.310 nan 0.000 0.498 257 Q N -0.627 119.050 119.800 -0.205 0.000 2.416 257 Q HA 0.531 4.871 4.340 0.000 0.000 0.281 257 Q C 0.179 176.049 176.000 -0.215 0.000 1.067 257 Q CA -0.575 55.113 55.803 -0.193 0.000 0.809 257 Q CB 1.969 30.636 28.738 -0.120 0.000 1.418 257 Q HN 0.049 nan 8.270 nan 0.000 0.411 258 L N 0.445 121.534 121.223 -0.222 0.000 1.994 258 L HA -0.036 4.304 4.340 0.000 0.000 0.208 258 L C 0.592 177.314 176.870 -0.246 0.000 1.071 258 L CA 1.167 55.886 54.840 -0.202 0.000 0.745 258 L CB 0.017 41.953 42.059 -0.206 0.000 0.892 258 L HN 0.520 nan 8.230 nan 0.000 0.431 259 I N 0.021 120.367 120.570 -0.373 0.000 2.339 259 I HA 0.405 4.575 4.170 0.000 0.000 0.290 259 I C -0.264 175.251 176.117 -1.004 0.000 0.994 259 I CA -0.217 60.691 61.300 -0.654 0.000 1.191 259 I CB 1.369 38.894 38.000 -0.791 0.000 1.343 259 I HN 0.113 nan 8.210 nan 0.000 0.458 260 R N 4.559 124.583 120.500 -0.794 0.000 2.629 260 R HA 0.491 4.831 4.340 0.000 0.000 0.266 260 R C -1.822 174.269 176.300 -0.347 0.000 1.051 260 R CA -0.610 55.151 56.100 -0.565 0.000 0.895 260 R CB 1.346 31.509 30.300 -0.228 0.000 1.246 260 R HN 0.269 nan 8.270 nan 0.000 0.459 261 Y N 1.313 121.613 120.300 -0.000 0.000 2.301 261 Y HA 0.626 5.176 4.550 0.000 0.000 0.325 261 Y C 0.818 176.744 175.900 0.043 0.000 1.203 261 Y CA -0.383 57.765 58.100 0.080 0.000 1.255 261 Y CB 1.455 40.063 38.460 0.246 0.000 1.232 261 Y HN 0.741 nan 8.280 nan 0.000 0.501 262 A N 1.264 124.181 122.820 0.162 0.000 2.332 262 A HA 0.659 4.979 4.320 0.000 0.000 0.258 262 A C 0.409 177.813 177.584 -0.300 0.000 1.087 262 A CA 0.142 52.091 52.037 -0.146 0.000 0.802 262 A CB -0.086 18.750 19.000 -0.273 0.000 1.042 262 A HN 0.909 nan 8.150 nan 0.000 0.489 263 G N 0.034 108.573 108.800 -0.434 0.000 2.626 263 G HA2 0.565 4.525 3.960 0.000 0.000 0.304 263 G HA3 0.565 4.525 3.960 0.000 0.000 0.304 263 G C -1.207 173.450 174.900 -0.404 0.000 1.385 263 G CA -0.243 44.661 45.100 -0.327 0.000 0.957 263 G HN 0.530 nan 8.290 nan 0.000 0.504 264 Y N 0.689 121.005 120.300 0.027 0.000 2.377 264 Y HA 0.411 4.961 4.550 0.000 0.000 0.339 264 Y C 0.502 176.443 175.900 0.070 0.000 1.011 264 Y CA -1.060 57.071 58.100 0.051 0.000 1.093 264 Y CB 2.618 41.131 38.460 0.088 0.000 1.201 264 Y HN 0.452 nan 8.280 nan 0.000 0.455 265 Q N 3.709 123.653 119.800 0.239 0.000 2.835 265 Q HA 0.235 4.575 4.340 0.000 0.000 0.235 265 Q C -0.726 175.371 176.000 0.162 0.000 1.313 265 Q CA -0.311 55.582 55.803 0.151 0.000 1.053 265 Q CB -0.029 28.772 28.738 0.105 0.000 1.443 265 Q HN 0.511 nan 8.270 nan 0.000 0.576 266 M N 3.144 122.837 119.600 0.154 0.000 2.247 266 M HA -0.015 4.465 4.480 0.000 0.000 0.318 266 M C -1.372 174.947 176.300 0.032 0.000 1.054 266 M CA -1.340 54.015 55.300 0.091 0.000 1.117 266 M CB -0.399 32.238 32.600 0.062 0.000 1.515 266 M HN 0.312 nan 8.290 nan 0.000 0.442 267 P HA -0.165 nan 4.420 nan 0.000 0.216 267 P C 0.510 177.798 177.300 -0.021 0.000 1.150 267 P CA 1.376 64.456 63.100 -0.034 0.000 0.837 267 P CB -0.069 31.585 31.700 -0.077 0.000 0.786 268 D N -1.663 118.725 120.400 -0.020 0.000 2.332 268 D HA 0.030 4.670 4.640 0.000 0.000 0.244 268 D C 1.412 177.711 176.300 -0.002 0.000 1.136 268 D CA 0.708 54.699 54.000 -0.014 0.000 0.884 268 D CB -0.863 39.927 40.800 -0.018 0.000 0.906 268 D HN 0.260 nan 8.370 nan 0.000 0.520 269 G N 0.816 109.619 108.800 0.006 0.000 2.347 269 G HA2 -0.338 3.622 3.960 0.000 0.000 0.247 269 G HA3 -0.338 3.622 3.960 0.000 0.000 0.247 269 G C 0.644 175.556 174.900 0.019 0.000 1.037 269 G CA 0.677 45.785 45.100 0.013 0.000 0.622 269 G HN 0.781 nan 8.290 nan 0.000 0.521 270 T N 0.557 115.121 114.554 0.017 0.000 2.918 270 T HA 0.598 4.948 4.350 0.000 0.000 0.302 270 T C 0.620 175.339 174.700 0.032 0.000 1.045 270 T CA -0.548 61.564 62.100 0.019 0.000 1.114 270 T CB 1.462 70.337 68.868 0.012 0.000 0.965 270 T HN 0.401 nan 8.240 nan 0.000 0.540 271 I N 2.462 123.046 120.570 0.024 0.000 2.428 271 I HA 0.383 4.553 4.170 0.000 0.000 0.289 271 I C 0.743 176.870 176.117 0.016 0.000 1.019 271 I CA -0.249 61.066 61.300 0.026 0.000 1.351 271 I CB 1.042 39.042 38.000 0.000 0.000 1.412 271 I HN 0.787 nan 8.210 nan 0.000 0.513 272 R N 3.036 123.569 120.500 0.055 0.000 2.599 272 R HA 0.595 4.935 4.340 0.000 0.000 0.295 272 R C 0.192 176.498 176.300 0.010 0.000 0.963 272 R CA 0.233 56.366 56.100 0.054 0.000 0.883 272 R CB 1.797 32.192 30.300 0.159 0.000 1.171 272 R HN 0.903 nan 8.270 nan 0.000 0.450 273 G N 2.654 111.377 108.800 -0.129 0.000 2.512 273 G HA2 -0.271 3.689 3.960 0.000 0.000 0.240 273 G HA3 -0.271 3.689 3.960 0.000 0.000 0.240 273 G C -1.048 173.550 174.900 -0.502 0.000 1.246 273 G CA 0.062 45.035 45.100 -0.212 0.000 0.919 273 G HN 0.633 nan 8.290 nan 0.000 0.577 274 D N 1.817 122.097 120.400 -0.200 0.000 2.393 274 D HA 0.586 5.226 4.640 0.000 0.000 0.232 274 D C 1.512 177.775 176.300 -0.062 0.000 1.192 274 D CA 0.805 54.745 54.000 -0.099 0.000 0.882 274 D CB 0.659 41.671 40.800 0.353 0.000 1.038 274 D HN 0.938 nan 8.370 nan 0.000 0.499 275 A N 3.614 126.368 122.820 -0.110 0.000 2.131 275 A HA -0.109 4.211 4.320 0.000 0.000 0.220 275 A C 1.969 179.567 177.584 0.022 0.000 1.158 275 A CA 1.686 53.700 52.037 -0.038 0.000 0.665 275 A CB -0.157 18.822 19.000 -0.034 0.000 0.795 275 A HN 0.586 nan 8.150 nan 0.000 0.460 276 A N -0.587 122.273 122.820 0.067 0.000 2.119 276 A HA 0.100 4.420 4.320 0.000 0.000 0.216 276 A C 1.924 179.562 177.584 0.090 0.000 1.152 276 A CA 1.686 53.778 52.037 0.091 0.000 0.708 276 A CB -0.671 18.408 19.000 0.130 0.000 0.805 276 A HN 0.736 nan 8.150 nan 0.000 0.460 277 T N -2.921 111.682 114.554 0.081 0.000 3.176 277 T HA 0.386 4.736 4.350 0.000 0.000 0.263 277 T C 1.345 176.070 174.700 0.042 0.000 1.021 277 T CA -0.110 62.043 62.100 0.088 0.000 0.905 277 T CB -0.333 68.597 68.868 0.104 0.000 1.057 277 T HN 0.212 nan 8.240 nan 0.000 0.558 278 L N 0.833 122.066 121.223 0.016 0.000 1.971 278 L HA -0.149 4.191 4.340 0.000 0.000 0.215 278 L C 2.942 179.802 176.870 -0.017 0.000 1.072 278 L CA 2.269 57.103 54.840 -0.011 0.000 0.758 278 L CB -0.432 41.632 42.059 0.008 0.000 0.889 278 L HN 0.434 nan 8.230 nan 0.000 0.433 279 E N -0.333 119.867 120.200 -0.001 0.000 2.031 279 E HA -0.291 4.059 4.350 0.000 0.000 0.193 279 E C 2.175 178.699 176.600 -0.125 0.000 0.994 279 E CA 1.533 57.904 56.400 -0.049 0.000 0.800 279 E CB -0.199 29.488 29.700 -0.022 0.000 0.752 279 E HN 0.354 nan 8.360 nan 0.000 0.447 280 F N 1.385 121.198 119.950 -0.229 0.000 2.171 280 F HA -0.167 4.360 4.527 0.000 0.000 0.300 280 F C 2.258 177.934 175.800 -0.206 0.000 1.090 280 F CA 1.833 59.658 58.000 -0.292 0.000 1.293 280 F CB -0.495 38.384 39.000 -0.201 0.000 1.013 280 F HN -0.006 nan 8.300 nan 0.000 0.486 281 T N -0.247 114.201 114.554 -0.178 0.000 2.746 281 T HA -0.261 4.089 4.350 0.000 0.000 0.267 281 T C 1.760 176.355 174.700 -0.175 0.000 1.039 281 T CA 1.652 63.617 62.100 -0.225 0.000 1.142 281 T CB -0.333 68.430 68.868 -0.174 0.000 0.866 281 T HN 0.237 nan 8.240 nan 0.000 0.444 282 Q N 0.761 120.479 119.800 -0.136 0.000 2.050 282 Q HA -0.060 4.280 4.340 0.000 0.000 0.202 282 Q C 2.129 178.041 176.000 -0.145 0.000 0.980 282 Q CA 1.203 56.955 55.803 -0.086 0.000 0.840 282 Q CB -0.806 27.893 28.738 -0.066 0.000 0.898 282 Q HN 0.414 nan 8.270 nan 0.000 0.424 283 L N -0.273 120.788 121.223 -0.271 0.000 2.079 283 L HA -0.182 4.158 4.340 0.000 0.000 0.210 283 L C 2.095 178.801 176.870 -0.274 0.000 1.081 283 L CA 1.826 56.499 54.840 -0.279 0.000 0.752 283 L CB -1.062 40.760 42.059 -0.395 0.000 0.896 283 L HN 0.396 nan 8.230 nan 0.000 0.433 284 C N -0.499 118.555 119.300 -0.409 0.000 2.425 284 C HA -0.115 4.345 4.460 0.000 0.000 0.277 284 C C 2.733 177.742 174.990 0.031 0.000 1.280 284 C CA 0.850 59.693 59.018 -0.292 0.000 1.744 284 C CB -0.913 26.519 27.740 -0.514 0.000 1.989 284 C HN 0.591 nan 8.230 nan 0.000 0.491 285 I N 0.929 121.552 120.570 0.087 0.000 2.315 285 I HA -0.149 4.021 4.170 0.000 0.000 0.248 285 I C 1.804 177.926 176.117 0.008 0.000 1.117 285 I CA 1.397 62.763 61.300 0.110 0.000 1.404 285 I CB -0.558 37.495 38.000 0.088 0.000 1.071 285 I HN 0.280 nan 8.210 nan 0.000 0.419 286 D N 0.741 121.116 120.400 -0.041 0.000 2.350 286 D HA -0.029 4.611 4.640 0.000 0.000 0.216 286 D C 1.815 178.061 176.300 -0.090 0.000 0.968 286 D CA 0.986 54.943 54.000 -0.073 0.000 0.894 286 D CB 0.092 40.836 40.800 -0.093 0.000 0.909 286 D HN 0.350 nan 8.370 nan 0.000 0.520 287 L N -1.199 119.981 121.223 -0.072 0.000 2.728 287 L HA 0.299 4.639 4.340 0.000 0.000 0.238 287 L C 1.298 178.133 176.870 -0.060 0.000 1.143 287 L CA 0.137 54.929 54.840 -0.080 0.000 0.937 287 L CB 0.491 42.495 42.059 -0.093 0.000 1.225 287 L HN 0.076 nan 8.230 nan 0.000 0.507 288 G N -0.876 107.907 108.800 -0.029 0.000 2.184 288 G HA2 -0.286 3.674 3.960 0.000 0.000 0.206 288 G HA3 -0.286 3.674 3.960 0.000 0.000 0.206 288 G C -0.256 174.657 174.900 0.021 0.000 0.995 288 G CA -0.463 44.620 45.100 -0.027 0.000 0.651 288 G HN 0.280 nan 8.290 nan 0.000 0.511 289 W N 3.302 124.529 121.300 -0.121 0.000 2.266 289 W HA 0.655 5.316 4.660 0.000 0.000 0.317 289 W C 0.148 176.624 176.519 -0.073 0.000 1.310 289 W CA -0.845 56.439 57.345 -0.102 0.000 1.207 289 W CB 0.735 30.127 29.460 -0.114 0.000 1.199 289 W HN -0.095 nan 8.180 nan 0.000 0.544 290 K N 8.737 128.676 120.400 -0.768 0.000 2.292 290 K HA 0.197 4.517 4.320 0.000 0.000 0.290 290 K C -2.283 173.546 176.600 -1.284 0.000 1.083 290 K CA -1.829 54.011 56.287 -0.746 0.000 0.918 290 K CB 0.201 32.435 32.500 -0.444 0.000 1.089 290 K HN 0.349 nan 8.250 nan 0.000 0.473 291 P HA 0.200 nan 4.420 nan 0.000 0.271 291 P C -0.225 176.656 177.300 -0.699 0.000 1.220 291 P CA -0.215 62.276 63.100 -1.014 0.000 0.768 291 P CB 0.790 32.020 31.700 -0.784 0.000 0.848 292 R N 1.694 121.873 120.500 -0.536 0.000 2.432 292 R HA 0.140 4.480 4.340 0.000 0.000 0.260 292 R C -0.001 176.155 176.300 -0.241 0.000 0.935 292 R CA -0.352 55.603 56.100 -0.242 0.000 1.080 292 R CB -0.487 29.772 30.300 -0.068 0.000 1.155 292 R HN 0.433 nan 8.270 nan 0.000 0.531 293 Y N -0.101 119.684 120.300 -0.859 0.000 3.007 293 Y HA -0.306 4.244 4.550 0.000 0.000 0.212 293 Y C 0.941 176.622 175.900 -0.366 0.000 1.180 293 Y CA 0.494 57.949 58.100 -1.075 0.000 1.076 293 Y CB -1.732 36.344 38.460 -0.639 0.000 1.254 293 Y HN 0.252 nan 8.280 nan 0.000 0.534 294 G N -0.411 108.410 108.800 0.035 0.000 2.667 294 G HA2 0.565 4.525 3.960 0.000 0.000 0.310 294 G HA3 0.565 4.525 3.960 0.000 0.000 0.310 294 G C 0.536 175.532 174.900 0.160 0.000 1.259 294 G CA -0.972 44.205 45.100 0.128 0.000 1.019 294 G HN 0.276 nan 8.290 nan 0.000 0.496 295 R N -1.291 119.188 120.500 -0.036 0.000 2.127 295 R HA 0.099 4.439 4.340 0.000 0.000 0.217 295 R C -0.085 175.827 176.300 -0.647 0.000 1.074 295 R CA 0.881 56.773 56.100 -0.346 0.000 0.991 295 R CB 0.026 29.980 30.300 -0.577 0.000 0.895 295 R HN 0.371 nan 8.270 nan 0.000 0.450 296 F N 0.967 120.888 119.950 -0.048 0.000 2.577 296 F HA 0.258 4.785 4.527 0.000 0.000 0.342 296 F C -0.851 174.908 175.800 -0.069 0.000 1.479 296 F CA -1.271 56.436 58.000 -0.489 0.000 1.110 296 F CB 0.607 39.148 39.000 -0.765 0.000 1.306 296 F HN -0.304 nan 8.300 nan 0.000 0.554 297 D N 1.569 122.158 120.400 0.315 0.000 2.313 297 D HA 0.194 4.834 4.640 0.000 0.000 0.239 297 D C 0.163 176.743 176.300 0.466 0.000 1.142 297 D CA 0.023 54.277 54.000 0.423 0.000 0.847 297 D CB 2.272 43.385 40.800 0.521 0.000 1.082 297 D HN -0.035 nan 8.370 nan 0.000 0.480 298 V N 4.093 124.250 119.914 0.405 0.000 2.450 298 V HA -0.018 4.102 4.120 0.000 0.000 0.281 298 V C 1.038 177.174 176.094 0.070 0.000 1.019 298 V CA -0.225 62.195 62.300 0.200 0.000 1.062 298 V CB -0.002 31.890 31.823 0.115 0.000 0.979 298 V HN 0.345 nan 8.190 nan 0.000 0.477 299 L N 8.685 129.850 121.223 -0.098 0.000 2.467 299 L HA 0.274 4.614 4.340 0.000 0.000 0.270 299 L C -1.655 175.030 176.870 -0.309 0.000 1.205 299 L CA -1.153 53.475 54.840 -0.353 0.000 0.828 299 L CB 0.493 42.427 42.059 -0.208 0.000 1.101 299 L HN 0.474 nan 8.230 nan 0.000 0.479 300 P HA 0.211 nan 4.420 nan 0.000 0.282 300 P C -1.054 176.197 177.300 -0.081 0.000 1.259 300 P CA -0.611 62.326 63.100 -0.272 0.000 0.826 300 P CB 1.043 32.467 31.700 -0.460 0.000 1.064 301 L N 1.235 122.493 121.223 0.059 0.000 2.360 301 L HA 0.223 4.563 4.340 0.000 0.000 0.276 301 L C 0.240 177.201 176.870 0.152 0.000 1.121 301 L CA -0.602 54.323 54.840 0.143 0.000 0.845 301 L CB 0.804 42.998 42.059 0.225 0.000 1.143 301 L HN 0.098 nan 8.230 nan 0.000 0.452 302 V N 6.115 126.128 119.914 0.165 0.000 2.293 302 V HA 0.330 4.450 4.120 0.000 0.000 0.275 302 V C 0.126 176.229 176.094 0.015 0.000 1.021 302 V CA -0.315 62.016 62.300 0.052 0.000 0.815 302 V CB 1.025 32.915 31.823 0.112 0.000 1.025 302 V HN 0.495 nan 8.190 nan 0.000 0.448 303 L N 4.658 125.889 121.223 0.013 0.000 2.307 303 L HA 0.619 4.959 4.340 0.000 0.000 0.284 303 L C -0.045 176.737 176.870 -0.146 0.000 1.023 303 L CA -0.376 54.457 54.840 -0.012 0.000 0.810 303 L CB 1.662 43.756 42.059 0.059 0.000 1.231 303 L HN 0.585 nan 8.230 nan 0.000 0.423 304 Q N 2.953 122.669 119.800 -0.139 0.000 2.348 304 Q HA 0.689 5.029 4.340 0.000 0.000 0.265 304 Q C -1.317 174.548 176.000 -0.225 0.000 0.998 304 Q CA -0.584 55.112 55.803 -0.178 0.000 0.831 304 Q CB 1.932 30.664 28.738 -0.011 0.000 1.251 304 Q HN 0.786 nan 8.270 nan 0.000 0.456 305 A N 3.772 126.398 122.820 -0.324 0.000 2.330 305 A HA 0.413 4.733 4.320 0.000 0.000 0.327 305 A C -0.190 176.932 177.584 -0.769 0.000 1.155 305 A CA -0.207 51.410 52.037 -0.700 0.000 0.803 305 A CB 1.018 19.815 19.000 -0.339 0.000 1.208 305 A HN 1.034 nan 8.150 nan 0.000 0.477 306 D N 1.274 120.822 120.400 -1.419 0.000 2.701 306 D HA -0.128 4.512 4.640 0.000 0.000 0.235 306 D C 1.218 177.414 176.300 -0.173 0.000 1.155 306 D CA 2.659 56.315 54.000 -0.575 0.000 0.649 306 D CB -1.081 39.574 40.800 -0.242 0.000 1.050 306 D HN 2.112 nan 8.370 nan 0.000 0.425 307 G N -1.079 107.606 108.800 -0.192 0.000 2.189 307 G HA2 -0.400 3.560 3.960 0.000 0.000 0.267 307 G HA3 -0.400 3.560 3.960 0.000 0.000 0.267 307 G C 0.388 175.274 174.900 -0.024 0.000 0.975 307 G CA 0.820 45.878 45.100 -0.070 0.000 0.644 307 G HN 0.632 nan 8.290 nan 0.000 0.537 308 Q N 0.194 119.956 119.800 -0.063 0.000 2.316 308 Q HA 0.424 4.765 4.340 0.000 0.000 0.215 308 Q C -0.239 175.744 176.000 -0.029 0.000 1.020 308 Q CA -0.789 55.001 55.803 -0.021 0.000 0.970 308 Q CB 0.455 29.168 28.738 -0.043 0.000 1.187 308 Q HN 0.277 nan 8.270 nan 0.000 0.546 309 D N 2.522 122.912 120.400 -0.018 0.000 2.472 309 D HA 0.036 4.676 4.640 0.000 0.000 0.237 309 D C -2.163 173.951 176.300 -0.309 0.000 1.141 309 D CA -0.738 53.164 54.000 -0.164 0.000 0.875 309 D CB 0.162 40.999 40.800 0.063 0.000 1.192 309 D HN 0.188 nan 8.370 nan 0.000 0.450 310 P HA 0.076 nan 4.420 nan 0.000 0.271 310 P C -0.635 176.445 177.300 -0.367 0.000 1.216 310 P CA -0.046 62.660 63.100 -0.657 0.000 0.771 310 P CB 0.878 31.712 31.700 -1.443 0.000 0.864 311 E N 1.138 121.195 120.200 -0.238 0.000 2.202 311 E HA 0.388 4.738 4.350 0.000 0.000 0.272 311 E C -0.576 175.817 176.600 -0.344 0.000 0.951 311 E CA -1.207 55.028 56.400 -0.275 0.000 0.813 311 E CB 1.844 31.399 29.700 -0.240 0.000 1.151 311 E HN 0.181 nan 8.360 nan 0.000 0.398 312 V N 3.392 123.006 119.914 -0.499 0.000 2.439 312 V HA 0.344 4.464 4.120 0.000 0.000 0.282 312 V C -0.743 174.939 176.094 -0.686 0.000 1.039 312 V CA -0.314 61.750 62.300 -0.393 0.000 0.913 312 V CB 0.061 31.743 31.823 -0.235 0.000 0.983 312 V HN 0.502 nan 8.190 nan 0.000 0.460 313 F N 1.912 121.718 119.950 -0.240 0.000 2.536 313 F HA 0.427 4.954 4.527 0.000 0.000 0.322 313 F C 0.433 176.096 175.800 -0.228 0.000 1.144 313 F CA -0.692 57.052 58.000 -0.426 0.000 0.924 313 F CB 1.561 39.997 39.000 -0.940 0.000 1.181 313 F HN 0.409 nan 8.300 nan 0.000 0.438 314 E N 3.830 124.047 120.200 0.030 0.000 2.316 314 E HA 0.288 4.638 4.350 0.000 0.000 0.275 314 E C -0.269 176.481 176.600 0.251 0.000 1.029 314 E CA -0.290 56.201 56.400 0.150 0.000 0.871 314 E CB 1.489 31.307 29.700 0.195 0.000 1.022 314 E HN 0.503 nan 8.360 nan 0.000 0.418 315 I N 5.056 125.770 120.570 0.241 0.000 2.471 315 I HA 0.071 4.241 4.170 0.000 0.000 0.286 315 I C -2.019 174.222 176.117 0.205 0.000 1.079 315 I CA -1.906 59.551 61.300 0.262 0.000 1.398 315 I CB 0.235 38.317 38.000 0.137 0.000 1.403 315 I HN 0.144 nan 8.210 nan 0.000 0.530 316 P HA 0.075 nan 4.420 nan 0.000 0.261 316 P C -2.007 175.354 177.300 0.101 0.000 1.203 316 P CA -0.859 62.328 63.100 0.145 0.000 0.767 316 P CB 0.194 31.965 31.700 0.117 0.000 0.785 317 P HA -0.227 nan 4.420 nan 0.000 0.217 317 P C 0.773 178.113 177.300 0.067 0.000 1.148 317 P CA 1.433 64.587 63.100 0.089 0.000 0.834 317 P CB -0.056 31.700 31.700 0.093 0.000 0.783 318 D N -1.080 119.355 120.400 0.058 0.000 2.264 318 D HA -0.071 4.569 4.640 0.000 0.000 0.208 318 D C 1.655 177.976 176.300 0.034 0.000 0.966 318 D CA 0.900 54.925 54.000 0.042 0.000 0.864 318 D CB -0.048 40.774 40.800 0.036 0.000 0.933 318 D HN 0.296 nan 8.370 nan 0.000 0.499 319 L N 0.598 121.842 121.223 0.035 0.000 2.529 319 L HA 0.058 4.398 4.340 0.000 0.000 0.223 319 L C 0.603 177.491 176.870 0.029 0.000 1.113 319 L CA 0.123 54.977 54.840 0.024 0.000 0.861 319 L CB 0.575 42.639 42.059 0.008 0.000 1.012 319 L HN -0.225 nan 8.230 nan 0.000 0.461 320 V N 2.360 122.296 119.914 0.037 0.000 2.304 320 V HA 0.138 4.259 4.120 0.000 0.000 0.262 320 V C 0.045 176.171 176.094 0.052 0.000 1.061 320 V CA -0.474 61.848 62.300 0.038 0.000 0.872 320 V CB 1.064 32.909 31.823 0.035 0.000 1.077 320 V HN 0.060 nan 8.190 nan 0.000 0.480 321 L N 5.664 126.919 121.223 0.054 0.000 2.367 321 L HA 0.462 4.802 4.340 0.000 0.000 0.275 321 L C 0.150 177.049 176.870 0.048 0.000 1.129 321 L CA 0.760 55.624 54.840 0.040 0.000 0.839 321 L CB 0.512 42.590 42.059 0.031 0.000 1.133 321 L HN 0.656 nan 8.230 nan 0.000 0.453 322 E N 3.205 123.413 120.200 0.013 0.000 2.336 322 E HA 0.616 4.966 4.350 0.000 0.000 0.267 322 E C -1.487 175.049 176.600 -0.106 0.000 0.906 322 E CA -1.058 55.341 56.400 -0.003 0.000 0.781 322 E CB 2.472 32.200 29.700 0.046 0.000 1.261 322 E HN 0.377 nan 8.360 nan 0.000 0.436 323 V N 1.698 121.514 119.914 -0.163 0.000 2.444 323 V HA 0.244 4.364 4.120 0.000 0.000 0.294 323 V C -0.147 175.887 176.094 -0.099 0.000 1.022 323 V CA -0.826 61.324 62.300 -0.250 0.000 0.850 323 V CB 1.554 32.980 31.823 -0.662 0.000 0.992 323 V HN 0.843 nan 8.190 nan 0.000 0.426 324 T N 3.712 118.227 114.554 -0.064 0.000 2.832 324 T HA 0.454 4.804 4.350 0.000 0.000 0.296 324 T C -0.018 174.718 174.700 0.060 0.000 0.968 324 T CA -0.745 61.354 62.100 -0.001 0.000 1.107 324 T CB 0.649 69.522 68.868 0.008 0.000 0.916 324 T HN 0.310 nan 8.240 nan 0.000 0.517 325 M N 3.410 123.096 119.600 0.145 0.000 2.194 325 M HA 0.332 4.812 4.480 0.000 0.000 0.347 325 M C 0.267 176.751 176.300 0.308 0.000 1.439 325 M CA 0.255 55.710 55.300 0.259 0.000 1.131 325 M CB -0.405 32.455 32.600 0.434 0.000 1.733 325 M HN 0.764 nan 8.290 nan 0.000 0.467 326 E N 1.303 121.619 120.200 0.193 0.000 2.293 326 E HA 0.338 4.688 4.350 0.000 0.000 0.270 326 E C -1.014 175.611 176.600 0.042 0.000 0.879 326 E CA -0.725 55.790 56.400 0.192 0.000 0.756 326 E CB 2.520 32.320 29.700 0.167 0.000 1.208 326 E HN 0.475 nan 8.360 nan 0.000 0.428 327 H N 3.785 122.754 119.070 -0.167 0.000 2.458 327 H HA 0.201 4.757 4.556 0.000 0.000 0.330 327 H C -1.765 173.320 175.328 -0.405 0.000 1.111 327 H CA -2.349 53.453 56.048 -0.410 0.000 1.245 327 H CB 1.623 31.084 29.762 -0.503 0.000 1.456 327 H HN 0.353 nan 8.280 nan 0.000 0.488 328 P HA -0.110 nan 4.420 nan 0.000 0.222 328 P C 0.569 177.729 177.300 -0.234 0.000 1.147 328 P CA 1.137 63.846 63.100 -0.651 0.000 0.790 328 P CB 0.832 32.025 31.700 -0.845 0.000 0.780 329 K N -1.522 118.835 120.400 -0.073 0.000 2.424 329 K HA 0.131 4.451 4.320 0.000 0.000 0.200 329 K C 0.778 177.171 176.600 -0.345 0.000 1.279 329 K CA 0.244 56.363 56.287 -0.281 0.000 0.918 329 K CB -0.152 32.076 32.500 -0.453 0.000 1.287 329 K HN 0.265 nan 8.250 nan 0.000 0.502 330 Y N 2.869 122.865 120.300 -0.508 0.000 2.585 330 Y HA 0.092 4.642 4.550 0.000 0.000 0.354 330 Y C 1.269 176.825 175.900 -0.574 0.000 1.024 330 Y CA -0.401 57.214 58.100 -0.808 0.000 1.321 330 Y CB 0.453 37.982 38.460 -1.552 0.000 1.151 330 Y HN 0.066 nan 8.280 nan 0.000 0.525 331 E N 3.634 123.743 120.200 -0.153 0.000 2.268 331 E HA -0.181 4.169 4.350 0.000 0.000 0.195 331 E C 1.404 178.037 176.600 0.054 0.000 0.995 331 E CA 0.947 57.340 56.400 -0.011 0.000 0.836 331 E CB -0.030 29.706 29.700 0.060 0.000 0.763 331 E HN 0.869 nan 8.360 nan 0.000 0.491 332 W N -0.265 121.128 121.300 0.155 0.000 2.825 332 W HA 0.003 4.663 4.660 0.000 0.000 0.243 332 W C 1.259 177.839 176.519 0.101 0.000 1.293 332 W CA -0.281 57.119 57.345 0.090 0.000 1.403 332 W CB -0.727 28.746 29.460 0.022 0.000 1.134 332 W HN -0.046 nan 8.180 nan 0.000 0.666 333 F N 3.765 123.591 119.950 -0.207 0.000 2.134 333 F HA -0.319 4.208 4.527 0.000 0.000 0.299 333 F C 2.754 178.607 175.800 0.088 0.000 1.097 333 F CA 2.816 60.758 58.000 -0.096 0.000 1.264 333 F CB -0.274 38.594 39.000 -0.220 0.000 1.001 333 F HN -0.111 nan 8.300 nan 0.000 0.479 334 Q N 0.645 120.594 119.800 0.249 0.000 2.364 334 Q HA -0.182 4.158 4.340 0.000 0.000 0.207 334 Q C 1.312 177.380 176.000 0.112 0.000 0.970 334 Q CA 1.607 57.519 55.803 0.182 0.000 0.888 334 Q CB -1.452 27.382 28.738 0.160 0.000 0.951 334 Q HN 0.525 nan 8.270 nan 0.000 0.469 335 E N 0.343 120.617 120.200 0.124 0.000 2.418 335 E HA -0.002 4.348 4.350 0.000 0.000 0.197 335 E C 1.571 178.203 176.600 0.055 0.000 1.026 335 E CA 0.463 56.925 56.400 0.102 0.000 0.862 335 E CB -0.117 29.666 29.700 0.138 0.000 0.799 335 E HN 0.394 nan 8.360 nan 0.000 0.518 336 L N -0.277 120.946 121.223 -0.000 0.000 2.291 336 L HA 0.028 4.368 4.340 0.000 0.000 0.214 336 L C 1.451 178.322 176.870 0.002 0.000 1.120 336 L CA 0.508 55.307 54.840 -0.068 0.000 0.799 336 L CB -0.374 41.514 42.059 -0.286 0.000 0.925 336 L HN 0.233 nan 8.230 nan 0.000 0.446 337 G N 1.117 109.944 108.800 0.045 0.000 2.273 337 G HA2 -0.277 3.683 3.960 0.000 0.000 0.280 337 G HA3 -0.277 3.683 3.960 0.000 0.000 0.280 337 G C -0.028 174.979 174.900 0.178 0.000 1.047 337 G CA -0.018 45.149 45.100 0.112 0.000 0.869 337 G HN 0.229 nan 8.290 nan 0.000 0.502 338 L N -0.572 120.699 121.223 0.080 0.000 2.343 338 L HA 0.818 5.158 4.340 0.000 0.000 0.275 338 L C 0.637 177.467 176.870 -0.067 0.000 1.056 338 L CA -0.597 54.267 54.840 0.040 0.000 0.804 338 L CB 1.704 43.664 42.059 -0.165 0.000 1.203 338 L HN 0.528 nan 8.230 nan 0.000 0.440 339 K N 0.789 120.985 120.400 -0.341 0.000 2.571 339 K HA 0.505 4.825 4.320 0.000 0.000 0.289 339 K C -2.045 174.542 176.600 -0.021 0.000 1.028 339 K CA -1.056 55.107 56.287 -0.206 0.000 0.895 339 K CB 2.230 34.527 32.500 -0.338 0.000 1.534 339 K HN 0.573 nan 8.250 nan 0.000 0.421 340 W N 1.667 122.910 121.300 -0.095 0.000 3.137 340 W HA 0.329 4.989 4.660 0.000 0.000 0.324 340 W C -1.326 175.211 176.519 0.031 0.000 1.253 340 W CA -0.800 56.542 57.345 -0.004 0.000 1.183 340 W CB 1.589 30.918 29.460 -0.218 0.000 1.424 340 W HN 0.691 nan 8.180 nan 0.000 0.566 341 Y N 0.923 121.072 120.300 -0.252 0.000 2.326 341 Y HA 0.525 5.075 4.550 0.000 0.000 0.333 341 Y C 0.732 176.803 175.900 0.285 0.000 1.240 341 Y CA 0.077 58.133 58.100 -0.073 0.000 1.365 341 Y CB 0.283 38.570 38.460 -0.288 0.000 1.289 341 Y HN 0.335 nan 8.280 nan 0.000 0.548 342 A N 2.490 125.535 122.820 0.374 0.000 2.218 342 A HA 0.186 4.506 4.320 0.000 0.000 0.209 342 A C 0.145 178.064 177.584 0.558 0.000 1.168 342 A CA 0.055 52.384 52.037 0.487 0.000 0.804 342 A CB -0.244 18.888 19.000 0.219 0.000 0.834 342 A HN 0.642 nan 8.150 nan 0.000 0.482 343 L N 1.852 123.371 121.223 0.493 0.000 2.301 343 L HA 0.446 4.786 4.340 0.000 0.000 0.278 343 L C -2.675 174.337 176.870 0.236 0.000 1.022 343 L CA -2.245 52.775 54.840 0.301 0.000 0.854 343 L CB 1.744 43.912 42.059 0.182 0.000 1.226 343 L HN -0.076 nan 8.230 nan 0.000 0.429 344 P HA 0.406 nan 4.420 nan 0.000 0.292 344 P C -1.412 175.796 177.300 -0.153 0.000 1.326 344 P CA -0.302 62.641 63.100 -0.261 0.000 0.787 344 P CB 1.440 32.594 31.700 -0.911 0.000 0.903 345 A N 4.259 127.004 122.820 -0.125 0.000 2.385 345 A HA 0.444 4.764 4.320 0.000 0.000 0.290 345 A C -0.455 176.933 177.584 -0.327 0.000 1.094 345 A CA -0.657 51.248 52.037 -0.219 0.000 0.729 345 A CB 1.161 20.043 19.000 -0.196 0.000 1.194 345 A HN 0.283 nan 8.150 nan 0.000 0.442 346 V N 2.086 121.670 119.914 -0.550 0.000 2.555 346 V HA 0.397 4.517 4.120 0.000 0.000 0.286 346 V C 1.204 176.874 176.094 -0.708 0.000 1.044 346 V CA 1.038 62.939 62.300 -0.665 0.000 1.026 346 V CB 1.095 32.320 31.823 -0.997 0.000 0.981 346 V HN 1.172 nan 8.190 nan 0.000 0.480 347 A N 4.014 126.586 122.820 -0.414 0.000 2.287 347 A HA 0.157 4.477 4.320 0.000 0.000 0.214 347 A C 1.307 178.789 177.584 -0.170 0.000 1.228 347 A CA 0.297 52.161 52.037 -0.288 0.000 0.939 347 A CB 0.024 18.907 19.000 -0.195 0.000 0.992 347 A HN 0.808 nan 8.150 nan 0.000 0.502 348 N N -0.456 118.151 118.700 -0.154 0.000 2.214 348 N HA 0.231 4.971 4.740 0.000 0.000 0.214 348 N C 0.076 175.578 175.510 -0.013 0.000 1.132 348 N CA -0.104 52.905 53.050 -0.069 0.000 0.856 348 N CB -0.300 38.138 38.487 -0.082 0.000 1.020 348 N HN 0.378 nan 8.380 nan 0.000 0.509 349 M N 0.390 119.975 119.600 -0.025 0.000 2.371 349 M HA 0.358 4.838 4.480 0.000 0.000 0.301 349 M C -0.428 175.974 176.300 0.169 0.000 1.173 349 M CA -0.850 54.505 55.300 0.092 0.000 1.020 349 M CB 1.856 34.513 32.600 0.094 0.000 1.490 349 M HN 0.065 nan 8.290 nan 0.000 0.485 350 L N 2.220 123.590 121.223 0.246 0.000 2.341 350 L HA 0.547 4.887 4.340 0.000 0.000 0.278 350 L C -1.478 175.627 176.870 0.392 0.000 1.005 350 L CA -1.018 53.996 54.840 0.290 0.000 0.818 350 L CB 1.441 43.637 42.059 0.228 0.000 1.259 350 L HN 0.580 nan 8.230 nan 0.000 0.418 351 L N 5.003 126.468 121.223 0.404 0.000 2.265 351 L HA 0.443 4.783 4.340 0.000 0.000 0.288 351 L C -0.382 176.674 176.870 0.310 0.000 1.058 351 L CA 0.381 55.428 54.840 0.346 0.000 0.809 351 L CB 0.982 43.220 42.059 0.298 0.000 1.179 351 L HN 0.618 nan 8.230 nan 0.000 0.429 352 E N 4.948 125.285 120.200 0.229 0.000 2.151 352 E HA 0.500 4.850 4.350 0.000 0.000 0.275 352 E C -1.843 174.796 176.600 0.065 0.000 0.936 352 E CA -0.385 56.128 56.400 0.189 0.000 0.777 352 E CB 1.813 31.718 29.700 0.343 0.000 1.108 352 E HN 0.519 nan 8.360 nan 0.000 0.401 353 V N 3.266 123.178 119.914 -0.002 0.000 2.789 353 V HA 0.464 4.584 4.120 0.000 0.000 0.300 353 V C 0.259 176.224 176.094 -0.215 0.000 1.184 353 V CA 0.438 62.634 62.300 -0.173 0.000 0.930 353 V CB 1.315 32.959 31.823 -0.299 0.000 1.041 353 V HN 0.861 nan 8.190 nan 0.000 0.430 354 G N 4.429 113.138 108.800 -0.150 0.000 2.390 354 G HA2 0.076 4.036 3.960 0.000 0.000 0.299 354 G HA3 0.076 4.036 3.960 0.000 0.000 0.299 354 G C 1.607 176.641 174.900 0.223 0.000 1.002 354 G CA 1.445 46.623 45.100 0.131 0.000 0.979 354 G HN 2.752 nan 8.290 nan 0.000 0.513 355 G N -2.091 106.762 108.800 0.089 0.000 2.225 355 G HA2 -0.250 3.710 3.960 0.000 0.000 0.254 355 G HA3 -0.250 3.710 3.960 0.000 0.000 0.254 355 G C 0.518 175.431 174.900 0.022 0.000 0.988 355 G CA 0.567 45.733 45.100 0.109 0.000 0.625 355 G HN 1.290 nan 8.290 nan 0.000 0.527 356 L N 0.601 121.791 121.223 -0.055 0.000 2.375 356 L HA 0.668 5.008 4.340 0.000 0.000 0.271 356 L C 0.314 177.054 176.870 -0.216 0.000 1.107 356 L CA -0.544 54.164 54.840 -0.220 0.000 0.806 356 L CB 1.174 43.001 42.059 -0.388 0.000 1.146 356 L HN 0.183 nan 8.230 nan 0.000 0.447 357 E N 1.975 121.978 120.200 -0.328 0.000 2.234 357 E HA 0.414 4.764 4.350 0.000 0.000 0.266 357 E C -1.594 174.812 176.600 -0.324 0.000 0.877 357 E CA -0.442 55.846 56.400 -0.186 0.000 0.758 357 E CB 2.122 31.762 29.700 -0.100 0.000 1.170 357 E HN 0.271 nan 8.360 nan 0.000 0.415 358 F N 3.053 123.028 119.950 0.042 0.000 2.359 358 F HA 0.298 4.825 4.527 0.000 0.000 0.370 358 F C -1.821 174.049 175.800 0.116 0.000 1.077 358 F CA -2.090 55.953 58.000 0.071 0.000 1.136 358 F CB 1.478 40.513 39.000 0.058 0.000 1.387 358 F HN 0.352 nan 8.300 nan 0.000 0.468 359 P HA -0.078 nan 4.420 nan 0.000 0.228 359 P C -0.140 177.295 177.300 0.224 0.000 1.151 359 P CA 0.752 63.967 63.100 0.193 0.000 0.770 359 P CB 0.420 32.208 31.700 0.147 0.000 0.786 360 A N -0.034 122.972 122.820 0.309 0.000 2.411 360 A HA 0.556 4.876 4.320 0.000 0.000 0.285 360 A C -0.352 177.480 177.584 0.413 0.000 1.129 360 A CA -0.436 51.808 52.037 0.346 0.000 0.736 360 A CB 0.343 19.553 19.000 0.350 0.000 1.186 360 A HN 0.249 nan 8.150 nan 0.000 0.445 361 C N 0.978 120.436 119.300 0.263 0.000 3.253 361 C HA 0.479 4.939 4.460 0.000 0.000 0.230 361 C C -2.858 172.169 174.990 0.062 0.000 1.124 361 C CA -1.557 57.552 59.018 0.151 0.000 1.143 361 C CB -0.236 27.596 27.740 0.154 0.000 1.794 361 C HN 0.586 nan 8.230 nan 0.000 0.617 362 P HA 0.358 nan 4.420 nan 0.000 0.268 362 P C -0.603 176.597 177.300 -0.166 0.000 1.204 362 P CA 0.932 63.893 63.100 -0.232 0.000 0.768 362 P CB 0.576 32.150 31.700 -0.210 0.000 0.842 363 F N 0.352 120.174 119.950 -0.213 0.000 2.643 363 F HA 0.700 5.227 4.527 0.000 0.000 0.314 363 F C -0.753 174.923 175.800 -0.208 0.000 1.096 363 F CA -1.202 56.685 58.000 -0.189 0.000 0.953 363 F CB 1.640 40.403 39.000 -0.394 0.000 1.345 363 F HN 0.382 nan 8.300 nan 0.000 0.468 364 N N -0.264 118.506 118.700 0.116 0.000 2.708 364 N HA 0.721 5.461 4.740 0.000 0.000 0.257 364 N C -1.306 174.116 175.510 -0.147 0.000 1.373 364 N CA -0.381 52.661 53.050 -0.013 0.000 0.843 364 N CB 1.881 40.407 38.487 0.065 0.000 1.503 364 N HN 1.108 nan 8.380 nan 0.000 0.504 365 G N -0.952 107.725 108.800 -0.206 0.000 3.195 365 G HA2 0.680 4.640 3.960 0.000 0.000 0.217 365 G HA3 0.680 4.640 3.960 0.000 0.000 0.217 365 G C -1.729 173.090 174.900 -0.134 0.000 1.166 365 G CA -0.743 44.151 45.100 -0.344 0.000 0.812 365 G HN 0.694 nan 8.290 nan 0.000 0.617 366 W N -1.694 119.596 121.300 -0.017 0.000 2.850 366 W HA 0.826 5.486 4.660 0.000 0.000 0.349 366 W C -1.345 175.144 176.519 -0.050 0.000 1.133 366 W CA -2.091 55.257 57.345 0.003 0.000 1.117 366 W CB 0.352 29.855 29.460 0.072 0.000 1.442 366 W HN 0.392 nan 8.180 nan 0.000 0.575 367 Y N 2.046 122.533 120.300 0.311 0.000 2.326 367 Y HA 0.311 4.861 4.550 0.000 0.000 0.333 367 Y C 0.637 176.585 175.900 0.081 0.000 1.240 367 Y CA -0.821 57.333 58.100 0.090 0.000 1.365 367 Y CB 1.244 39.647 38.460 -0.096 0.000 1.289 367 Y HN 0.404 nan 8.280 nan 0.000 0.548 368 M N 2.176 121.917 119.600 0.235 0.000 2.181 368 M HA 0.369 4.849 4.480 0.000 0.000 0.323 368 M C 1.008 177.289 176.300 -0.032 0.000 1.004 368 M CA -0.232 55.133 55.300 0.107 0.000 0.941 368 M CB 1.370 34.020 32.600 0.084 0.000 1.579 368 M HN 0.842 nan 8.290 nan 0.000 0.427 369 G N 1.992 110.719 108.800 -0.122 0.000 2.606 369 G HA2 -0.363 3.597 3.960 0.000 0.000 0.221 369 G HA3 -0.363 3.597 3.960 0.000 0.000 0.221 369 G C 1.130 175.848 174.900 -0.303 0.000 1.152 369 G CA 2.063 47.010 45.100 -0.254 0.000 0.765 369 G HN 0.886 nan 8.290 nan 0.000 0.595 370 T N -1.271 113.115 114.554 -0.279 0.000 2.881 370 T HA -0.035 4.315 4.350 0.000 0.000 0.270 370 T C 1.964 176.480 174.700 -0.307 0.000 1.068 370 T CA 1.607 63.500 62.100 -0.344 0.000 1.131 370 T CB -0.127 68.476 68.868 -0.441 0.000 0.871 370 T HN 0.251 nan 8.240 nan 0.000 0.479 371 E N 1.165 121.214 120.200 -0.252 0.000 2.085 371 E HA -0.021 4.329 4.350 0.000 0.000 0.194 371 E C 2.146 178.452 176.600 -0.490 0.000 0.994 371 E CA 1.057 57.320 56.400 -0.229 0.000 0.801 371 E CB -0.269 29.448 29.700 0.028 0.000 0.743 371 E HN 0.638 nan 8.360 nan 0.000 0.453 372 I N -0.223 119.892 120.570 -0.757 0.000 2.270 372 I HA -0.064 4.106 4.170 0.000 0.000 0.239 372 I C 2.516 178.011 176.117 -1.038 0.000 1.080 372 I CA 1.029 61.575 61.300 -1.258 0.000 1.383 372 I CB -0.595 36.572 38.000 -1.389 0.000 1.097 372 I HN 0.071 nan 8.210 nan 0.000 0.420 373 G N 0.460 108.911 108.800 -0.581 0.000 2.432 373 G HA2 -0.126 3.834 3.960 0.000 0.000 0.219 373 G HA3 -0.126 3.834 3.960 0.000 0.000 0.219 373 G C 1.572 176.404 174.900 -0.115 0.000 1.135 373 G CA 1.086 46.064 45.100 -0.203 0.000 0.767 373 G HN 0.242 nan 8.290 nan 0.000 0.550 374 V N -0.014 119.771 119.914 -0.215 0.000 2.521 374 V HA 0.098 4.218 4.120 0.000 0.000 0.239 374 V C 2.752 178.765 176.094 -0.135 0.000 1.053 374 V CA 0.764 62.975 62.300 -0.148 0.000 1.073 374 V CB -0.218 31.492 31.823 -0.190 0.000 0.746 374 V HN 0.092 nan 8.190 nan 0.000 0.476 375 R N 0.883 121.263 120.500 -0.199 0.000 2.055 375 R HA -0.040 4.300 4.340 0.000 0.000 0.228 375 R C 1.972 178.197 176.300 -0.125 0.000 1.143 375 R CA 1.589 57.599 56.100 -0.150 0.000 0.945 375 R CB -1.154 29.050 30.300 -0.160 0.000 0.841 375 R HN 0.476 nan 8.270 nan 0.000 0.429 376 D N 0.399 120.613 120.400 -0.309 0.000 2.097 376 D HA -0.127 4.513 4.640 0.000 0.000 0.195 376 D C 1.903 178.183 176.300 -0.034 0.000 0.989 376 D CA 1.147 54.933 54.000 -0.357 0.000 0.827 376 D CB -0.220 39.818 40.800 -1.270 0.000 0.966 376 D HN 0.090 nan 8.370 nan 0.000 0.456 377 F N 0.308 120.144 119.950 -0.190 0.000 2.270 377 F HA 0.027 4.554 4.527 0.000 0.000 0.295 377 F C 2.386 178.228 175.800 0.071 0.000 1.087 377 F CA -0.195 57.796 58.000 -0.015 0.000 1.365 377 F CB -0.667 38.303 39.000 -0.051 0.000 1.056 377 F HN 0.037 nan 8.300 nan 0.000 0.506 378 C N -1.194 118.226 119.300 0.200 0.000 2.912 378 C HA 0.176 4.636 4.460 0.000 0.000 0.274 378 C C 0.442 175.482 174.990 0.083 0.000 1.248 378 C CA -0.672 58.423 59.018 0.128 0.000 1.694 378 C CB -0.644 27.140 27.740 0.074 0.000 2.024 378 C HN 0.080 nan 8.230 nan 0.000 0.605 379 D N 1.778 122.221 120.400 0.072 0.000 2.455 379 D HA 0.072 4.712 4.640 0.000 0.000 0.241 379 D C 1.542 177.889 176.300 0.078 0.000 1.138 379 D CA 0.517 54.548 54.000 0.052 0.000 0.877 379 D CB 0.990 41.815 40.800 0.043 0.000 1.187 379 D HN 0.407 nan 8.370 nan 0.000 0.451 380 T N -0.502 114.085 114.554 0.055 0.000 2.915 380 T HA -0.220 4.130 4.350 0.000 0.000 0.269 380 T C 1.320 176.053 174.700 0.056 0.000 1.071 380 T CA 0.803 62.938 62.100 0.058 0.000 1.132 380 T CB -0.036 68.858 68.868 0.044 0.000 0.878 380 T HN 0.490 nan 8.240 nan 0.000 0.479 381 Q N 0.578 120.410 119.800 0.053 0.000 2.444 381 Q HA 0.139 4.479 4.340 0.000 0.000 0.206 381 Q C 0.935 176.975 176.000 0.066 0.000 0.948 381 Q CA -0.009 55.825 55.803 0.051 0.000 0.946 381 Q CB 0.136 28.902 28.738 0.047 0.000 1.027 381 Q HN 0.410 nan 8.270 nan 0.000 0.513 382 R N -0.321 120.237 120.500 0.097 0.000 2.618 382 R HA 0.239 4.579 4.340 0.000 0.000 0.108 382 R C 1.427 177.795 176.300 0.112 0.000 1.220 382 R CA -0.349 55.844 56.100 0.155 0.000 1.020 382 R CB -1.101 29.360 30.300 0.268 0.000 0.950 382 R HN 0.060 nan 8.270 nan 0.000 0.397 383 Y N 1.582 122.016 120.300 0.223 0.000 2.516 383 Y HA -0.036 4.514 4.550 0.000 0.000 0.291 383 Y C 0.637 176.626 175.900 0.147 0.000 1.131 383 Y CA 0.718 58.955 58.100 0.227 0.000 1.281 383 Y CB -0.369 38.322 38.460 0.385 0.000 1.013 383 Y HN 0.463 nan 8.280 nan 0.000 0.554 384 N N 0.949 119.796 118.700 0.244 0.000 2.689 384 N HA -0.235 4.505 4.740 0.000 0.000 0.263 384 N C 0.368 175.968 175.510 0.149 0.000 0.987 384 N CA 0.828 53.974 53.050 0.160 0.000 0.782 384 N CB -1.291 37.258 38.487 0.104 0.000 0.903 384 N HN 0.664 nan 8.380 nan 0.000 0.547 385 I N -3.369 117.300 120.570 0.166 0.000 3.793 385 I HA 0.097 4.267 4.170 0.000 0.000 0.315 385 I C 1.651 177.840 176.117 0.121 0.000 1.275 385 I CA -0.381 60.983 61.300 0.107 0.000 1.214 385 I CB -0.081 37.938 38.000 0.032 0.000 1.018 385 I HN 0.136 nan 8.210 nan 0.000 0.439 386 L N 1.996 123.314 121.223 0.157 0.000 1.990 386 L HA -0.236 4.104 4.340 0.000 0.000 0.213 386 L C 2.570 179.639 176.870 0.330 0.000 1.072 386 L CA 2.375 57.340 54.840 0.209 0.000 0.755 386 L CB -0.841 41.303 42.059 0.141 0.000 0.889 386 L HN 0.545 nan 8.230 nan 0.000 0.432 387 E N -0.900 119.481 120.200 0.302 0.000 2.077 387 E HA -0.294 4.057 4.350 0.000 0.000 0.193 387 E C 2.132 178.734 176.600 0.004 0.000 0.989 387 E CA 1.421 57.939 56.400 0.198 0.000 0.800 387 E CB -0.189 29.563 29.700 0.085 0.000 0.746 387 E HN 0.646 nan 8.360 nan 0.000 0.452 388 E N -0.217 119.989 120.200 0.010 0.000 2.058 388 E HA -0.186 4.164 4.350 0.000 0.000 0.194 388 E C 2.051 178.599 176.600 -0.087 0.000 0.997 388 E CA 1.565 57.927 56.400 -0.064 0.000 0.801 388 E CB 0.112 29.785 29.700 -0.046 0.000 0.746 388 E HN 0.191 nan 8.360 nan 0.000 0.450 389 V N 0.475 120.406 119.914 0.029 0.000 2.626 389 V HA -0.161 3.959 4.120 0.000 0.000 0.252 389 V C 2.232 178.366 176.094 0.068 0.000 1.067 389 V CA 1.617 63.985 62.300 0.112 0.000 1.081 389 V CB -0.713 31.280 31.823 0.283 0.000 0.686 389 V HN 0.474 nan 8.190 nan 0.000 0.468 390 G N 0.370 109.222 108.800 0.086 0.000 2.453 390 G HA2 -0.228 3.732 3.960 0.000 0.000 0.215 390 G HA3 -0.228 3.732 3.960 0.000 0.000 0.215 390 G C 1.713 176.497 174.900 -0.194 0.000 1.201 390 G CA 0.732 45.852 45.100 0.033 0.000 0.784 390 G HN 0.434 nan 8.290 nan 0.000 0.545 391 R N -0.021 120.303 120.500 -0.293 0.000 2.083 391 R HA -0.026 4.314 4.340 0.000 0.000 0.237 391 R C 2.725 178.790 176.300 -0.391 0.000 1.137 391 R CA 1.134 57.039 56.100 -0.324 0.000 0.951 391 R CB -0.366 29.756 30.300 -0.297 0.000 0.851 391 R HN 0.174 nan 8.270 nan 0.000 0.434 392 R N 0.451 120.618 120.500 -0.555 0.000 2.170 392 R HA -0.122 4.218 4.340 0.000 0.000 0.242 392 R C 1.985 177.735 176.300 -0.917 0.000 1.145 392 R CA 1.350 56.823 56.100 -1.045 0.000 0.984 392 R CB -0.305 28.890 30.300 -1.843 0.000 0.869 392 R HN 0.367 nan 8.270 nan 0.000 0.455 393 M N -0.901 118.424 119.600 -0.459 0.000 2.541 393 M HA 0.100 4.580 4.480 0.000 0.000 0.252 393 M C 0.677 176.893 176.300 -0.141 0.000 1.125 393 M CA 0.682 55.857 55.300 -0.210 0.000 1.091 393 M CB 0.564 33.144 32.600 -0.034 0.000 1.420 393 M HN 0.358 nan 8.290 nan 0.000 0.486 394 G N 1.982 110.667 108.800 -0.190 0.000 2.212 394 G HA2 -0.216 3.744 3.960 0.000 0.000 0.255 394 G HA3 -0.216 3.744 3.960 0.000 0.000 0.255 394 G C -0.233 174.612 174.900 -0.091 0.000 1.062 394 G CA -0.242 44.776 45.100 -0.135 0.000 0.815 394 G HN 0.378 nan 8.290 nan 0.000 0.497 395 L N -0.808 120.348 121.223 -0.111 0.000 2.375 395 L HA 0.473 4.813 4.340 0.000 0.000 0.268 395 L C 0.894 177.651 176.870 -0.190 0.000 1.058 395 L CA -0.924 53.871 54.840 -0.075 0.000 0.803 395 L CB 0.900 42.977 42.059 0.031 0.000 1.212 395 L HN 0.172 nan 8.230 nan 0.000 0.451 396 E N 0.320 120.442 120.200 -0.129 0.000 1.999 396 E HA -0.014 4.337 4.350 0.000 0.000 0.296 396 E C 0.778 177.098 176.600 -0.467 0.000 1.187 396 E CA -0.077 56.223 56.400 -0.168 0.000 1.229 396 E CB 0.009 29.698 29.700 -0.018 0.000 1.131 396 E HN 0.634 nan 8.360 nan 0.000 0.478 397 T N -1.764 112.257 114.554 -0.887 0.000 3.155 397 T HA -0.142 4.208 4.350 0.000 0.000 0.264 397 T C 0.971 175.059 174.700 -1.020 0.000 1.160 397 T CA 0.746 61.799 62.100 -1.745 0.000 1.075 397 T CB -0.065 67.821 68.868 -1.637 0.000 0.921 397 T HN 0.422 nan 8.240 nan 0.000 0.533 398 H N 0.045 118.918 119.070 -0.328 0.000 2.652 398 H HA 0.266 4.822 4.556 0.000 0.000 0.274 398 H C -0.054 175.283 175.328 0.016 0.000 1.021 398 H CA 0.069 56.055 56.048 -0.103 0.000 1.187 398 H CB 0.822 30.525 29.762 -0.099 0.000 1.505 398 H HN 0.348 nan 8.280 nan 0.000 0.530 399 T N 2.133 116.770 114.554 0.137 0.000 2.934 399 T HA 0.224 4.574 4.350 0.000 0.000 0.328 399 T C 1.496 176.378 174.700 0.304 0.000 1.068 399 T CA -0.329 61.880 62.100 0.181 0.000 1.018 399 T CB 1.417 70.360 68.868 0.124 0.000 1.009 399 T HN 0.081 nan 8.240 nan 0.000 0.471 400 L N 1.845 123.232 121.223 0.273 0.000 2.042 400 L HA -0.159 4.181 4.340 0.000 0.000 0.210 400 L C 2.819 179.771 176.870 0.136 0.000 1.076 400 L CA 1.498 56.469 54.840 0.219 0.000 0.749 400 L CB -0.438 41.693 42.059 0.119 0.000 0.893 400 L HN 0.728 nan 8.230 nan 0.000 0.432 401 A N -0.273 122.617 122.820 0.115 0.000 2.131 401 A HA -0.203 4.117 4.320 0.000 0.000 0.220 401 A C 2.406 180.047 177.584 0.095 0.000 1.158 401 A CA 1.670 53.755 52.037 0.081 0.000 0.665 401 A CB -0.578 18.462 19.000 0.067 0.000 0.795 401 A HN 0.573 nan 8.150 nan 0.000 0.460 402 S N -0.589 115.203 115.700 0.153 0.000 2.515 402 S HA 0.064 4.534 4.470 0.000 0.000 0.231 402 S C 0.890 175.582 174.600 0.154 0.000 0.987 402 S CA 0.743 59.039 58.200 0.161 0.000 0.936 402 S CB -0.734 62.589 63.200 0.205 0.000 0.766 402 S HN 0.897 nan 8.310 nan 0.000 0.528 403 L N 0.381 121.671 121.223 0.112 0.000 3.865 403 L HA -0.167 4.173 4.340 0.000 0.000 0.408 403 L C 1.571 178.467 176.870 0.045 0.000 1.209 403 L CA 0.725 55.575 54.840 0.016 0.000 0.940 403 L CB -2.652 39.421 42.059 0.024 0.000 1.971 403 L HN 0.755 nan 8.230 nan 0.000 0.899 404 W N 0.222 121.534 121.300 0.021 0.000 2.363 404 W HA -0.132 4.528 4.660 0.000 0.000 0.296 404 W C 1.716 178.252 176.519 0.030 0.000 1.212 404 W CA 1.302 58.659 57.345 0.021 0.000 1.260 404 W CB -0.717 28.742 29.460 -0.002 0.000 1.131 404 W HN 0.260 nan 8.180 nan 0.000 0.530 405 K N 1.101 120.996 120.400 -0.841 0.000 2.063 405 K HA -0.185 4.135 4.320 0.000 0.000 0.208 405 K C 1.506 177.947 176.600 -0.265 0.000 1.048 405 K CA 2.450 58.262 56.287 -0.791 0.000 0.928 405 K CB -0.408 31.513 32.500 -0.966 0.000 0.713 405 K HN 0.085 nan 8.250 nan 0.000 0.442 406 D N 0.102 120.395 120.400 -0.178 0.000 2.117 406 D HA -0.103 4.537 4.640 0.000 0.000 0.197 406 D C 1.954 178.266 176.300 0.020 0.000 0.987 406 D CA 1.037 54.999 54.000 -0.062 0.000 0.829 406 D CB 0.038 40.815 40.800 -0.038 0.000 0.961 406 D HN 0.112 nan 8.370 nan 0.000 0.460 407 R N 0.450 120.988 120.500 0.064 0.000 2.075 407 R HA 0.015 4.355 4.340 0.000 0.000 0.232 407 R C 2.273 178.679 176.300 0.177 0.000 1.126 407 R CA 1.148 57.326 56.100 0.131 0.000 0.963 407 R CB -0.273 30.125 30.300 0.165 0.000 0.858 407 R HN 0.150 nan 8.270 nan 0.000 0.435 408 A N 0.605 123.542 122.820 0.195 0.000 1.855 408 A HA -0.125 4.195 4.320 0.000 0.000 0.215 408 A C 2.266 179.977 177.584 0.212 0.000 1.191 408 A CA 1.357 53.544 52.037 0.250 0.000 0.613 408 A CB -0.855 18.329 19.000 0.308 0.000 0.829 408 A HN 0.192 nan 8.150 nan 0.000 0.442 409 V N -0.015 119.972 119.914 0.120 0.000 2.469 409 V HA -0.224 3.896 4.120 0.000 0.000 0.251 409 V C 2.554 178.705 176.094 0.096 0.000 1.064 409 V CA 2.871 65.226 62.300 0.091 0.000 1.066 409 V CB -0.797 31.032 31.823 0.010 0.000 0.667 409 V HN 0.656 nan 8.190 nan 0.000 0.461 410 T N -0.481 114.136 114.554 0.106 0.000 2.857 410 T HA -0.102 4.248 4.350 0.000 0.000 0.266 410 T C 1.790 176.563 174.700 0.122 0.000 1.048 410 T CA 1.322 63.484 62.100 0.103 0.000 1.139 410 T CB -0.193 68.739 68.868 0.105 0.000 0.874 410 T HN 0.490 nan 8.240 nan 0.000 0.455 411 E N 1.057 121.381 120.200 0.206 0.000 2.106 411 E HA 0.005 4.355 4.350 0.000 0.000 0.192 411 E C 2.204 178.904 176.600 0.166 0.000 0.984 411 E CA 0.678 57.251 56.400 0.289 0.000 0.806 411 E CB -0.402 29.613 29.700 0.525 0.000 0.750 411 E HN 0.523 nan 8.360 nan 0.000 0.458 412 I N 1.581 122.289 120.570 0.229 0.000 2.179 412 I HA -0.271 3.899 4.170 0.000 0.000 0.242 412 I C 2.074 178.234 176.117 0.071 0.000 1.088 412 I CA 0.868 62.307 61.300 0.231 0.000 1.357 412 I CB -0.327 37.875 38.000 0.336 0.000 1.051 412 I HN 0.041 nan 8.210 nan 0.000 0.409 413 N N 0.607 119.330 118.700 0.038 0.000 2.166 413 N HA -0.133 4.607 4.740 0.000 0.000 0.186 413 N C 1.944 177.418 175.510 -0.060 0.000 1.019 413 N CA 1.181 54.215 53.050 -0.028 0.000 0.856 413 N CB -0.309 38.163 38.487 -0.025 0.000 0.993 413 N HN 0.161 nan 8.380 nan 0.000 0.426 414 V N 1.599 121.459 119.914 -0.090 0.000 2.343 414 V HA -0.202 3.918 4.120 0.000 0.000 0.247 414 V C 2.426 178.344 176.094 -0.292 0.000 1.051 414 V CA 1.757 63.946 62.300 -0.186 0.000 1.036 414 V CB -0.888 30.781 31.823 -0.257 0.000 0.654 414 V HN 0.283 nan 8.190 nan 0.000 0.451 415 A N -0.157 122.412 122.820 -0.418 0.000 1.877 415 A HA -0.170 4.150 4.320 0.000 0.000 0.216 415 A C 2.405 179.910 177.584 -0.132 0.000 1.186 415 A CA 2.164 53.913 52.037 -0.480 0.000 0.620 415 A CB -0.770 17.647 19.000 -0.972 0.000 0.822 415 A HN 0.320 nan 8.150 nan 0.000 0.443 416 V N 0.151 120.039 119.914 -0.043 0.000 2.287 416 V HA -0.289 3.831 4.120 0.000 0.000 0.248 416 V C 2.603 178.727 176.094 0.049 0.000 1.053 416 V CA 2.133 64.465 62.300 0.052 0.000 1.027 416 V CB -0.825 30.957 31.823 -0.068 0.000 0.646 416 V HN 0.567 nan 8.190 nan 0.000 0.447 417 L N -0.724 120.479 121.223 -0.035 0.000 2.046 417 L HA -0.208 4.132 4.340 0.000 0.000 0.208 417 L C 2.623 179.521 176.870 0.047 0.000 1.077 417 L CA 2.036 56.865 54.840 -0.018 0.000 0.747 417 L CB -0.900 41.144 42.059 -0.026 0.000 0.896 417 L HN 0.505 nan 8.230 nan 0.000 0.432 418 H N -0.169 118.855 119.070 -0.076 0.000 2.321 418 H HA -0.149 4.407 4.556 0.000 0.000 0.300 418 H C 2.297 177.613 175.328 -0.021 0.000 1.087 418 H CA 1.854 57.850 56.048 -0.086 0.000 1.319 418 H CB 0.351 29.996 29.762 -0.195 0.000 1.379 418 H HN 0.251 nan 8.280 nan 0.000 0.501 419 S N 0.365 115.990 115.700 -0.125 0.000 2.359 419 S HA -0.137 4.333 4.470 0.000 0.000 0.224 419 S C 1.994 176.557 174.600 -0.061 0.000 1.035 419 S CA 1.376 59.497 58.200 -0.131 0.000 1.018 419 S CB -0.566 62.651 63.200 0.028 0.000 0.876 419 S HN 0.292 nan 8.310 nan 0.000 0.448 420 F N 1.984 121.868 119.950 -0.109 0.000 2.102 420 F HA -0.140 4.387 4.527 0.000 0.000 0.298 420 F C 2.692 178.435 175.800 -0.094 0.000 1.105 420 F CA 1.276 59.233 58.000 -0.072 0.000 1.239 420 F CB -0.709 38.267 39.000 -0.040 0.000 0.991 420 F HN 0.222 nan 8.300 nan 0.000 0.474 421 Q N -0.190 119.656 119.800 0.078 0.000 2.084 421 Q HA -0.243 4.097 4.340 0.000 0.000 0.202 421 Q C 2.222 178.176 176.000 -0.077 0.000 0.978 421 Q CA 1.734 57.532 55.803 -0.008 0.000 0.844 421 Q CB -0.281 28.446 28.738 -0.019 0.000 0.898 421 Q HN 0.349 nan 8.270 nan 0.000 0.426 422 K N 0.888 121.185 120.400 -0.172 0.000 2.057 422 K HA -0.172 4.148 4.320 0.000 0.000 0.207 422 K C 1.425 177.948 176.600 -0.128 0.000 1.049 422 K CA 1.278 57.449 56.287 -0.193 0.000 0.931 422 K CB 0.166 32.452 32.500 -0.358 0.000 0.714 422 K HN 0.157 nan 8.250 nan 0.000 0.440 423 Q N 0.549 120.270 119.800 -0.132 0.000 2.282 423 Q HA 0.100 4.440 4.340 0.000 0.000 0.205 423 Q C -0.670 175.275 176.000 -0.091 0.000 0.915 423 Q CA -0.177 55.557 55.803 -0.116 0.000 0.949 423 Q CB 0.353 28.997 28.738 -0.157 0.000 1.035 423 Q HN 0.306 nan 8.270 nan 0.000 0.484 424 N N -0.144 118.517 118.700 -0.066 0.000 2.727 424 N HA -0.154 4.586 4.740 0.000 0.000 0.249 424 N C -1.233 174.260 175.510 -0.028 0.000 1.048 424 N CA 0.611 53.636 53.050 -0.043 0.000 0.714 424 N CB -1.341 37.120 38.487 -0.043 0.000 0.959 424 N HN 0.043 nan 8.380 nan 0.000 0.544 425 V N 0.971 120.882 119.914 -0.004 0.000 2.384 425 V HA 0.212 4.332 4.120 0.000 0.000 0.287 425 V C 0.899 177.119 176.094 0.210 0.000 1.020 425 V CA -0.634 61.701 62.300 0.059 0.000 0.850 425 V CB 1.921 33.694 31.823 -0.084 0.000 0.987 425 V HN 0.167 nan 8.190 nan 0.000 0.436 426 T N 6.506 121.131 114.554 0.119 0.000 2.891 426 T HA 0.313 4.663 4.350 0.000 0.000 0.296 426 T C -0.228 174.541 174.700 0.115 0.000 1.025 426 T CA 1.081 63.183 62.100 0.003 0.000 1.149 426 T CB -0.047 68.724 68.868 -0.161 0.000 1.007 426 T HN 0.583 nan 8.240 nan 0.000 0.528 427 I N 2.341 122.881 120.570 -0.050 0.000 2.842 427 I HA 0.518 4.688 4.170 0.000 0.000 0.296 427 I C -1.623 174.456 176.117 -0.063 0.000 1.538 427 I CA -0.931 60.335 61.300 -0.056 0.000 0.994 427 I CB 1.975 39.827 38.000 -0.247 0.000 1.372 427 I HN 0.638 nan 8.210 nan 0.000 0.478 428 M N 6.204 125.823 119.600 0.033 0.000 2.393 428 M HA 0.381 4.861 4.480 0.000 0.000 0.299 428 M C -1.452 174.889 176.300 0.068 0.000 1.103 428 M CA -0.652 54.689 55.300 0.067 0.000 0.910 428 M CB 1.674 34.385 32.600 0.185 0.000 1.659 428 M HN 0.608 nan 8.290 nan 0.000 0.445 429 D N 3.408 123.849 120.400 0.067 0.000 2.360 429 D HA 0.005 4.645 4.640 0.000 0.000 0.242 429 D C 0.661 177.038 176.300 0.128 0.000 1.184 429 D CA -0.121 53.953 54.000 0.123 0.000 0.930 429 D CB 0.553 41.422 40.800 0.115 0.000 1.161 429 D HN 0.833 nan 8.370 nan 0.000 0.447 430 H N 0.455 119.471 119.070 -0.089 0.000 2.421 430 H HA -0.147 4.409 4.556 0.000 0.000 0.298 430 H C 1.424 176.649 175.328 -0.172 0.000 1.087 430 H CA 1.307 57.259 56.048 -0.160 0.000 1.330 430 H CB -0.818 28.791 29.762 -0.256 0.000 1.388 430 H HN 0.540 nan 8.280 nan 0.000 0.526 431 H N 0.831 119.697 119.070 -0.340 0.000 2.299 431 H HA -0.036 4.520 4.556 0.000 0.000 0.302 431 H C 1.950 177.244 175.328 -0.057 0.000 1.078 431 H CA 1.930 57.852 56.048 -0.211 0.000 1.323 431 H CB -0.342 29.268 29.762 -0.252 0.000 1.381 431 H HN 0.386 nan 8.280 nan 0.000 0.498 432 T N 1.220 115.828 114.554 0.089 0.000 2.788 432 T HA -0.080 4.270 4.350 0.000 0.000 0.268 432 T C 2.321 177.084 174.700 0.105 0.000 1.044 432 T CA 1.050 63.202 62.100 0.086 0.000 1.139 432 T CB -0.331 68.580 68.868 0.072 0.000 0.867 432 T HN 0.432 nan 8.240 nan 0.000 0.454 433 A N 1.426 124.309 122.820 0.106 0.000 1.873 433 A HA -0.078 4.242 4.320 0.000 0.000 0.215 433 A C 2.631 180.303 177.584 0.146 0.000 1.186 433 A CA 1.875 53.993 52.037 0.135 0.000 0.616 433 A CB -0.978 18.095 19.000 0.120 0.000 0.823 433 A HN 0.425 nan 8.150 nan 0.000 0.442 434 S N -0.064 115.700 115.700 0.107 0.000 2.359 434 S HA -0.222 4.248 4.470 0.000 0.000 0.223 434 S C 1.873 176.588 174.600 0.192 0.000 1.039 434 S CA 1.758 60.038 58.200 0.134 0.000 1.042 434 S CB -0.434 62.813 63.200 0.078 0.000 0.915 434 S HN 0.700 nan 8.310 nan 0.000 0.439 435 E N 0.743 121.031 120.200 0.146 0.000 2.085 435 E HA -0.142 4.208 4.350 0.000 0.000 0.194 435 E C 2.301 178.982 176.600 0.135 0.000 0.994 435 E CA 1.241 57.719 56.400 0.130 0.000 0.801 435 E CB -0.281 29.477 29.700 0.097 0.000 0.743 435 E HN 0.433 nan 8.360 nan 0.000 0.453 436 S N 0.305 116.093 115.700 0.147 0.000 2.383 436 S HA -0.200 4.271 4.470 0.000 0.000 0.229 436 S C 1.753 176.457 174.600 0.173 0.000 1.030 436 S CA 1.066 59.354 58.200 0.147 0.000 1.002 436 S CB -0.283 63.012 63.200 0.159 0.000 0.829 436 S HN 0.342 nan 8.310 nan 0.000 0.467 437 F N 1.690 121.698 119.950 0.096 0.000 2.163 437 F HA 0.051 4.578 4.527 0.000 0.000 0.297 437 F C 2.126 178.015 175.800 0.149 0.000 1.094 437 F CA 1.391 59.463 58.000 0.120 0.000 1.290 437 F CB -0.324 38.725 39.000 0.082 0.000 1.017 437 F HN 0.171 nan 8.300 nan 0.000 0.483 438 M N 0.383 120.051 119.600 0.112 0.000 2.108 438 M HA -0.207 4.273 4.480 0.000 0.000 0.261 438 M C 2.196 178.464 176.300 -0.054 0.000 1.066 438 M CA 1.638 56.957 55.300 0.031 0.000 1.107 438 M CB -1.267 31.404 32.600 0.117 0.000 1.356 438 M HN 0.115 nan 8.290 nan 0.000 0.406 439 K N -0.370 120.026 120.400 -0.007 0.000 2.097 439 K HA -0.196 4.124 4.320 0.000 0.000 0.205 439 K C 1.958 178.531 176.600 -0.045 0.000 1.050 439 K CA 1.744 58.025 56.287 -0.009 0.000 0.938 439 K CB -0.573 31.947 32.500 0.032 0.000 0.718 439 K HN 0.406 nan 8.250 nan 0.000 0.442 440 H N -0.283 118.681 119.070 -0.176 0.000 2.321 440 H HA -0.019 4.537 4.556 0.000 0.000 0.300 440 H C 2.009 177.167 175.328 -0.284 0.000 1.087 440 H CA 2.431 58.348 56.048 -0.219 0.000 1.319 440 H CB -0.148 29.448 29.762 -0.277 0.000 1.379 440 H HN 0.235 nan 8.280 nan 0.000 0.501 441 M N -0.015 119.262 119.600 -0.537 0.000 2.108 441 M HA -0.234 4.246 4.480 0.000 0.000 0.261 441 M C 2.507 178.737 176.300 -0.117 0.000 1.066 441 M CA 2.126 57.189 55.300 -0.395 0.000 1.107 441 M CB -0.173 32.232 32.600 -0.325 0.000 1.356 441 M HN 0.555 nan 8.290 nan 0.000 0.406 442 Q N 0.097 119.825 119.800 -0.119 0.000 2.096 442 Q HA -0.229 4.111 4.340 0.000 0.000 0.204 442 Q C 1.359 177.324 176.000 -0.058 0.000 0.982 442 Q CA 1.818 57.585 55.803 -0.060 0.000 0.850 442 Q CB -0.106 28.593 28.738 -0.064 0.000 0.901 442 Q HN 0.553 nan 8.270 nan 0.000 0.422 443 N N 0.461 119.084 118.700 -0.127 0.000 2.188 443 N HA -0.122 4.618 4.740 0.000 0.000 0.184 443 N C 1.552 176.961 175.510 -0.168 0.000 1.018 443 N CA 1.094 54.072 53.050 -0.121 0.000 0.858 443 N CB -0.149 38.278 38.487 -0.099 0.000 0.989 443 N HN 0.307 nan 8.380 nan 0.000 0.426 444 E N 0.042 120.057 120.200 -0.309 0.000 2.106 444 E HA -0.097 4.253 4.350 0.000 0.000 0.192 444 E C 1.739 178.200 176.600 -0.232 0.000 0.984 444 E CA 0.697 56.888 56.400 -0.349 0.000 0.806 444 E CB -0.354 29.026 29.700 -0.532 0.000 0.750 444 E HN 0.490 nan 8.360 nan 0.000 0.458 445 Y N 0.779 120.979 120.300 -0.168 0.000 2.293 445 Y HA -0.076 4.474 4.550 0.000 0.000 0.291 445 Y C 2.602 178.448 175.900 -0.090 0.000 1.137 445 Y CA 1.150 59.190 58.100 -0.099 0.000 1.202 445 Y CB 0.007 38.417 38.460 -0.084 0.000 0.990 445 Y HN -0.066 nan 8.280 nan 0.000 0.537 446 R N -0.428 120.096 120.500 0.041 0.000 2.115 446 R HA -0.076 4.265 4.340 0.000 0.000 0.226 446 R C 2.175 178.459 176.300 -0.027 0.000 1.100 446 R CA 0.976 57.075 56.100 -0.002 0.000 0.980 446 R CB -0.175 30.115 30.300 -0.017 0.000 0.875 446 R HN 0.321 nan 8.270 nan 0.000 0.445 447 A N 1.160 123.947 122.820 -0.055 0.000 1.903 447 A HA -0.075 4.245 4.320 0.000 0.000 0.213 447 A C 1.583 179.124 177.584 -0.072 0.000 1.185 447 A CA 0.983 52.985 52.037 -0.059 0.000 0.628 447 A CB 0.069 19.028 19.000 -0.069 0.000 0.830 447 A HN 0.412 nan 8.150 nan 0.000 0.446 448 R N -2.343 118.090 120.500 -0.112 0.000 2.569 448 R HA 0.385 4.725 4.340 0.000 0.000 0.422 448 R C 0.689 176.915 176.300 -0.122 0.000 0.980 448 R CA 0.382 56.417 56.100 -0.109 0.000 1.164 448 R CB -0.552 29.672 30.300 -0.127 0.000 1.520 448 R HN 0.844 nan 8.270 nan 0.000 0.567 449 G N 0.166 108.892 108.800 -0.124 0.000 2.246 449 G HA2 -0.042 3.918 3.960 0.000 0.000 0.273 449 G HA3 -0.042 3.918 3.960 0.000 0.000 0.273 449 G C 0.232 174.919 174.900 -0.355 0.000 1.055 449 G CA 0.177 45.216 45.100 -0.101 0.000 0.851 449 G HN 0.964 nan 8.290 nan 0.000 0.500 450 G N -2.532 105.745 108.800 -0.871 0.000 2.339 450 G HA2 0.553 4.513 3.960 0.000 0.000 0.302 450 G HA3 0.553 4.513 3.960 0.000 0.000 0.302 450 G C -0.838 173.592 174.900 -0.783 0.000 1.425 450 G CA 0.263 44.645 45.100 -1.197 0.000 0.899 450 G HN 1.927 nan 8.290 nan 0.000 0.619 451 C N 2.347 121.365 119.300 -0.470 0.000 2.887 451 C HA 0.658 5.118 4.460 0.000 0.000 0.379 451 C C -2.527 172.388 174.990 -0.125 0.000 1.064 451 C CA -1.152 57.736 59.018 -0.217 0.000 1.282 451 C CB 1.095 28.746 27.740 -0.149 0.000 1.749 451 C HN 0.711 nan 8.230 nan 0.000 0.489 452 P HA 0.364 nan 4.420 nan 0.000 0.267 452 P C -0.595 176.608 177.300 -0.161 0.000 1.209 452 P CA 0.685 63.413 63.100 -0.619 0.000 0.763 452 P CB 0.929 32.156 31.700 -0.788 0.000 0.816 453 A N 2.817 125.604 122.820 -0.055 0.000 2.427 453 A HA 0.402 4.722 4.320 0.000 0.000 0.298 453 A C -0.973 176.658 177.584 0.080 0.000 1.036 453 A CA -0.556 51.531 52.037 0.084 0.000 0.701 453 A CB 1.275 20.431 19.000 0.261 0.000 1.250 453 A HN 0.443 nan 8.150 nan 0.000 0.412 454 D N 2.179 122.614 120.400 0.058 0.000 2.467 454 D HA 0.129 4.769 4.640 0.000 0.000 0.220 454 D C 0.789 177.214 176.300 0.208 0.000 1.103 454 D CA -0.496 53.577 54.000 0.121 0.000 0.886 454 D CB 0.356 41.180 40.800 0.040 0.000 1.025 454 D HN 0.622 nan 8.370 nan 0.000 0.514 455 W N 4.418 125.747 121.300 0.047 0.000 2.305 455 W HA -0.227 4.433 4.660 0.000 0.000 0.308 455 W C 1.749 178.294 176.519 0.042 0.000 1.226 455 W CA 1.235 58.593 57.345 0.022 0.000 1.253 455 W CB -0.054 29.399 29.460 -0.012 0.000 1.146 455 W HN 0.473 nan 8.180 nan 0.000 0.507 456 I N -1.116 119.746 120.570 0.486 0.000 2.423 456 I HA -0.290 3.880 4.170 0.000 0.000 0.254 456 I C 1.599 177.825 176.117 0.181 0.000 1.151 456 I CA 1.326 62.851 61.300 0.375 0.000 1.421 456 I CB -0.617 37.615 38.000 0.387 0.000 1.079 456 I HN 0.109 nan 8.210 nan 0.000 0.431 457 W N -0.018 121.266 121.300 -0.027 0.000 2.762 457 W HA 0.183 4.843 4.660 0.000 0.000 0.265 457 W C 2.148 178.561 176.519 -0.177 0.000 1.263 457 W CA 0.055 57.354 57.345 -0.076 0.000 1.411 457 W CB -0.227 29.210 29.460 -0.038 0.000 1.065 457 W HN -0.074 nan 8.180 nan 0.000 0.609 458 L N -0.132 121.056 121.223 -0.058 0.000 2.240 458 L HA 0.014 4.354 4.340 0.000 0.000 0.211 458 L C 0.581 177.249 176.870 -0.337 0.000 1.106 458 L CA 0.365 55.044 54.840 -0.270 0.000 0.793 458 L CB -0.825 40.974 42.059 -0.433 0.000 0.927 458 L HN -0.394 nan 8.230 nan 0.000 0.446 459 V N 1.416 121.057 119.914 -0.454 0.000 2.470 459 V HA 0.143 4.263 4.120 0.000 0.000 0.276 459 V C -1.860 174.067 176.094 -0.277 0.000 1.040 459 V CA -1.399 60.618 62.300 -0.472 0.000 1.008 459 V CB 0.366 31.683 31.823 -0.843 0.000 0.990 459 V HN 0.035 nan 8.190 nan 0.000 0.477 460 P HA 0.054 nan 4.420 nan 0.000 0.266 460 P C -1.705 175.500 177.300 -0.159 0.000 1.193 460 P CA -0.843 62.166 63.100 -0.153 0.000 0.770 460 P CB 0.074 31.730 31.700 -0.074 0.000 0.836 461 P HA -0.063 nan 4.420 nan 0.000 0.234 461 P C -0.017 177.202 177.300 -0.136 0.000 1.167 461 P CA 1.049 64.051 63.100 -0.164 0.000 0.763 461 P CB 0.151 31.738 31.700 -0.189 0.000 0.835 462 V N -6.345 113.481 119.914 -0.147 0.000 3.114 462 V HA 0.575 4.695 4.120 0.000 0.000 0.308 462 V C 0.182 176.265 176.094 -0.019 0.000 1.168 462 V CA -0.772 61.472 62.300 -0.093 0.000 1.015 462 V CB 1.389 33.141 31.823 -0.118 0.000 1.050 462 V HN -0.063 nan 8.190 nan 0.000 0.433 463 S N 0.344 116.056 115.700 0.019 0.000 3.587 463 S HA -0.197 4.273 4.470 0.000 0.000 0.337 463 S C 1.476 176.065 174.600 -0.020 0.000 1.119 463 S CA 1.167 59.396 58.200 0.047 0.000 0.976 463 S CB -1.960 61.333 63.200 0.155 0.000 0.922 463 S HN 2.150 nan 8.310 nan 0.000 0.503 464 G N 2.772 111.536 108.800 -0.060 0.000 2.812 464 G HA2 -0.344 3.616 3.960 0.000 0.000 0.218 464 G HA3 -0.344 3.616 3.960 0.000 0.000 0.218 464 G C 1.480 176.215 174.900 -0.276 0.000 1.287 464 G CA 1.817 46.874 45.100 -0.072 0.000 0.796 464 G HN 1.421 nan 8.290 nan 0.000 0.649 465 S N 0.188 115.418 115.700 -0.783 0.000 2.507 465 S HA 0.045 4.515 4.470 0.000 0.000 0.235 465 S C 2.078 176.578 174.600 -0.166 0.000 0.988 465 S CA 0.757 58.360 58.200 -0.994 0.000 0.944 465 S CB -0.052 62.485 63.200 -1.105 0.000 0.762 465 S HN 0.199 nan 8.310 nan 0.000 0.526 466 I N 2.930 123.458 120.570 -0.070 0.000 2.676 466 I HA 0.014 4.184 4.170 0.000 0.000 0.259 466 I C 1.534 177.738 176.117 0.144 0.000 1.194 466 I CA 0.687 62.028 61.300 0.069 0.000 1.473 466 I CB -1.976 36.087 38.000 0.105 0.000 1.096 466 I HN 0.508 nan 8.210 nan 0.000 0.443 467 T N -0.908 113.714 114.554 0.114 0.000 2.922 467 T HA 0.311 4.661 4.350 0.000 0.000 0.285 467 T C -1.400 173.442 174.700 0.237 0.000 1.005 467 T CA -1.654 60.531 62.100 0.142 0.000 1.061 467 T CB 2.165 71.063 68.868 0.050 0.000 1.007 467 T HN -0.068 nan 8.240 nan 0.000 0.502 468 P HA -0.011 nan 4.420 nan 0.000 0.221 468 P C 1.710 179.210 177.300 0.334 0.000 1.150 468 P CA 0.343 63.641 63.100 0.330 0.000 0.800 468 P CB -0.123 31.710 31.700 0.222 0.000 0.787 469 V N -0.281 119.765 119.914 0.220 0.000 2.469 469 V HA -0.230 3.890 4.120 0.000 0.000 0.251 469 V C 2.358 178.514 176.094 0.102 0.000 1.064 469 V CA 1.670 64.061 62.300 0.151 0.000 1.066 469 V CB -1.501 30.329 31.823 0.012 0.000 0.667 469 V HN -0.023 nan 8.190 nan 0.000 0.461 470 F N 1.192 121.083 119.950 -0.097 0.000 2.171 470 F HA -0.190 4.337 4.527 0.000 0.000 0.300 470 F C 2.127 178.022 175.800 0.158 0.000 1.090 470 F CA 2.068 60.014 58.000 -0.091 0.000 1.293 470 F CB -0.263 38.550 39.000 -0.312 0.000 1.013 470 F HN 0.366 nan 8.300 nan 0.000 0.486 471 H N -1.564 117.863 119.070 0.596 0.000 2.533 471 H HA 0.162 4.718 4.556 0.000 0.000 0.271 471 H C 0.177 175.771 175.328 0.444 0.000 1.000 471 H CA 0.054 56.409 56.048 0.512 0.000 1.149 471 H CB -0.167 29.867 29.762 0.454 0.000 1.375 471 H HN 0.134 nan 8.280 nan 0.000 0.582 472 Q N 1.924 122.008 119.800 0.473 0.000 2.314 472 Q HA 0.155 4.495 4.340 0.000 0.000 0.259 472 Q C -0.707 175.524 176.000 0.385 0.000 0.951 472 Q CA -0.463 55.566 55.803 0.378 0.000 0.909 472 Q CB 0.665 29.593 28.738 0.317 0.000 1.236 472 Q HN 0.343 nan 8.270 nan 0.000 0.444 473 E N 3.658 124.037 120.200 0.298 0.000 2.373 473 E HA 0.252 4.602 4.350 0.000 0.000 0.267 473 E C -0.496 176.242 176.600 0.230 0.000 1.032 473 E CA 0.314 56.850 56.400 0.227 0.000 0.889 473 E CB 0.780 30.597 29.700 0.195 0.000 0.984 473 E HN 0.607 nan 8.360 nan 0.000 0.425 474 M N 2.138 121.873 119.600 0.224 0.000 2.619 474 M HA 0.395 4.875 4.480 0.000 0.000 0.297 474 M C -1.359 175.058 176.300 0.196 0.000 1.229 474 M CA -1.120 54.331 55.300 0.251 0.000 0.860 474 M CB 1.551 34.339 32.600 0.314 0.000 1.741 474 M HN 0.194 nan 8.290 nan 0.000 0.462 475 L N 2.189 123.548 121.223 0.225 0.000 2.325 475 L HA 0.476 4.816 4.340 0.000 0.000 0.281 475 L C -0.722 176.263 176.870 0.191 0.000 1.004 475 L CA -0.214 54.767 54.840 0.236 0.000 0.823 475 L CB 1.340 43.594 42.059 0.326 0.000 1.236 475 L HN 0.555 nan 8.230 nan 0.000 0.415 476 N N 3.771 122.564 118.700 0.155 0.000 2.422 476 N HA 0.525 5.265 4.740 0.000 0.000 0.266 476 N C -1.565 174.022 175.510 0.128 0.000 1.007 476 N CA -0.109 52.966 53.050 0.042 0.000 0.941 476 N CB 0.528 39.049 38.487 0.058 0.000 1.115 476 N HN 0.403 nan 8.380 nan 0.000 0.492 477 Y N -0.171 120.135 120.300 0.009 0.000 2.592 477 Y HA 0.539 5.089 4.550 0.000 0.000 0.334 477 Y C -1.205 174.639 175.900 -0.093 0.000 1.136 477 Y CA -1.352 56.729 58.100 -0.031 0.000 1.042 477 Y CB 0.443 38.903 38.460 -0.000 0.000 1.325 477 Y HN -0.007 nan 8.280 nan 0.000 0.457 478 V N 4.339 124.222 119.914 -0.052 0.000 2.406 478 V HA 0.376 4.496 4.120 0.000 0.000 0.272 478 V C 0.205 176.182 176.094 -0.195 0.000 1.043 478 V CA -0.332 61.727 62.300 -0.401 0.000 0.915 478 V CB 0.563 31.981 31.823 -0.675 0.000 0.988 478 V HN 0.778 nan 8.190 nan 0.000 0.466 479 L N 2.945 124.076 121.223 -0.152 0.000 2.693 479 L HA 0.744 5.084 4.340 0.000 0.000 0.253 479 L C 0.245 177.102 176.870 -0.022 0.000 1.155 479 L CA -0.496 54.341 54.840 -0.005 0.000 1.026 479 L CB 1.696 43.792 42.059 0.062 0.000 1.817 479 L HN 0.631 nan 8.230 nan 0.000 0.556 480 S N -0.612 115.112 115.700 0.041 0.000 2.566 480 S HA 0.519 4.989 4.470 0.000 0.000 0.273 480 S C -2.692 171.959 174.600 0.085 0.000 1.157 480 S CA -1.031 57.208 58.200 0.065 0.000 0.938 480 S CB 1.788 65.029 63.200 0.068 0.000 1.087 480 S HN 0.132 nan 8.310 nan 0.000 0.474 481 P HA 0.460 nan 4.420 nan 0.000 0.271 481 P C -1.270 176.008 177.300 -0.036 0.000 1.244 481 P CA -0.107 62.974 63.100 -0.032 0.000 0.793 481 P CB 0.250 31.869 31.700 -0.135 0.000 0.984 482 F N -0.138 119.620 119.950 -0.319 0.000 2.678 482 F HA 0.401 4.928 4.527 0.000 0.000 0.308 482 F C -1.737 173.779 175.800 -0.473 0.000 1.118 482 F CA -0.764 56.959 58.000 -0.462 0.000 0.959 482 F CB 1.068 39.765 39.000 -0.505 0.000 1.305 482 F HN 0.141 nan 8.300 nan 0.000 0.443 483 Y N 4.687 124.428 120.300 -0.932 0.000 2.434 483 Y HA 0.422 4.972 4.550 0.000 0.000 0.341 483 Y C -0.828 174.672 175.900 -0.666 0.000 0.965 483 Y CA -0.822 56.934 58.100 -0.574 0.000 1.205 483 Y CB 0.157 38.301 38.460 -0.527 0.000 1.121 483 Y HN 0.385 nan 8.280 nan 0.000 0.507 484 Y N 1.193 121.526 120.300 0.055 0.000 2.432 484 Y HA 0.373 4.923 4.550 0.000 0.000 0.322 484 Y C -0.213 175.701 175.900 0.024 0.000 1.246 484 Y CA -0.909 57.245 58.100 0.090 0.000 1.268 484 Y CB 0.773 39.350 38.460 0.195 0.000 1.276 484 Y HN 0.383 nan 8.280 nan 0.000 0.499 485 Y N 0.650 121.107 120.300 0.261 0.000 2.298 485 Y HA 0.332 4.882 4.550 0.000 0.000 0.329 485 Y C 0.037 175.991 175.900 0.090 0.000 1.293 485 Y CA -1.045 57.123 58.100 0.114 0.000 1.388 485 Y CB 0.631 39.133 38.460 0.070 0.000 1.309 485 Y HN 0.425 nan 8.280 nan 0.000 0.544 486 Q N 0.933 120.847 119.800 0.190 0.000 2.433 486 Q HA 0.466 4.806 4.340 0.000 0.000 0.279 486 Q C -1.168 174.790 176.000 -0.070 0.000 1.105 486 Q CA -1.185 54.643 55.803 0.041 0.000 0.815 486 Q CB 2.623 31.360 28.738 -0.003 0.000 1.403 486 Q HN 0.372 nan 8.270 nan 0.000 0.435 487 I N 1.917 122.412 120.570 -0.124 0.000 2.634 487 I HA -0.004 4.166 4.170 0.000 0.000 0.284 487 I C 0.658 176.543 176.117 -0.385 0.000 1.124 487 I CA 0.118 61.292 61.300 -0.210 0.000 1.417 487 I CB 0.250 38.144 38.000 -0.176 0.000 1.396 487 I HN 0.538 nan 8.210 nan 0.000 0.571 488 E N 8.054 127.923 120.200 -0.552 0.000 2.606 488 E HA -0.064 4.286 4.350 0.000 0.000 0.248 488 E C -1.416 174.517 176.600 -1.112 0.000 1.005 488 E CA -1.019 54.733 56.400 -1.080 0.000 0.946 488 E CB 0.261 29.136 29.700 -1.375 0.000 0.928 488 E HN 0.378 nan 8.360 nan 0.000 0.494 489 P HA -0.198 nan 4.420 nan 0.000 0.216 489 P C 1.178 177.940 177.300 -0.898 0.000 1.153 489 P CA 1.597 64.107 63.100 -0.983 0.000 0.858 489 P CB -0.262 30.617 31.700 -1.368 0.000 0.789 490 W N 0.909 121.683 121.300 -0.877 0.000 2.721 490 W HA 0.119 4.779 4.660 0.000 0.000 0.245 490 W C 1.417 177.904 176.519 -0.053 0.000 1.276 490 W CA 0.378 57.488 57.345 -0.392 0.000 1.342 490 W CB -1.336 28.053 29.460 -0.119 0.000 1.135 490 W HN -0.056 nan 8.180 nan 0.000 0.654 491 K N 0.162 120.415 120.400 -0.246 0.000 2.354 491 K HA 0.107 4.427 4.320 0.000 0.000 0.194 491 K C 1.485 178.052 176.600 -0.055 0.000 1.038 491 K CA 1.273 57.511 56.287 -0.082 0.000 1.052 491 K CB 0.237 32.622 32.500 -0.192 0.000 0.861 491 K HN 0.283 nan 8.250 nan 0.000 0.535 492 T N -3.371 111.126 114.554 -0.096 0.000 3.016 492 T HA 0.053 4.403 4.350 0.000 0.000 0.271 492 T C 0.119 174.805 174.700 -0.023 0.000 0.968 492 T CA -0.399 61.664 62.100 -0.061 0.000 0.891 492 T CB -0.240 68.566 68.868 -0.104 0.000 1.149 492 T HN 0.090 nan 8.240 nan 0.000 0.524 493 H N 1.563 120.574 119.070 -0.099 0.000 2.764 493 H HA 0.498 5.055 4.556 0.000 0.000 0.341 493 H C -0.385 174.892 175.328 -0.085 0.000 1.072 493 H CA -0.532 55.449 56.048 -0.111 0.000 1.444 493 H CB 0.256 29.949 29.762 -0.116 0.000 1.458 493 H HN 0.286 nan 8.280 nan 0.000 0.572 494 I N 6.220 126.364 120.570 -0.710 0.000 2.306 494 I HA 0.051 4.221 4.170 0.000 0.000 0.288 494 I C -0.395 175.359 176.117 -0.604 0.000 1.036 494 I CA -0.558 60.490 61.300 -0.420 0.000 1.221 494 I CB 0.331 38.191 38.000 -0.234 0.000 1.385 494 I HN 0.561 nan 8.210 nan 0.000 0.472 495 W N 5.963 127.146 121.300 -0.194 0.000 2.264 495 W HA 0.080 4.740 4.660 0.000 0.000 0.331 495 W C 1.533 178.045 176.519 -0.012 0.000 1.364 495 W CA -0.031 57.321 57.345 0.013 0.000 1.253 495 W CB 0.362 29.901 29.460 0.131 0.000 1.215 495 W HN 0.556 nan 8.180 nan 0.000 0.561 496 Q N 2.521 122.469 119.800 0.246 0.000 2.046 496 Q HA -0.089 4.251 4.340 0.000 0.000 0.200 496 Q C 1.060 177.155 176.000 0.158 0.000 0.975 496 Q CA 1.633 57.522 55.803 0.144 0.000 0.836 496 Q CB -0.160 28.648 28.738 0.117 0.000 0.896 496 Q HN 0.699 nan 8.270 nan 0.000 0.428 497 N N 0.000 118.830 118.700 0.216 0.000 1.763 497 N HA 0.000 4.740 4.740 0.000 0.000 0.220 497 N CA 0.000 53.127 53.050 0.129 0.000 0.885 497 N CB 0.000 38.534 38.487 0.079 0.000 1.341 497 N HN 0.000 nan 8.380 nan 0.000 0.667