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 1dwv_1_A DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSDFTCKS KSCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIWQ 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 0.000 176.137 176.000 0.228 0.000 1.003 77 Q CA 0.000 55.789 55.803 -0.022 0.000 1.022 77 Q CB 0.000 28.581 28.738 -0.261 0.000 1.108 78 Y N -1.886 118.528 120.300 0.191 0.000 2.656 78 Y HA 0.742 5.292 4.550 0.000 0.000 0.334 78 Y C -1.011 174.966 175.900 0.129 0.000 1.179 78 Y CA -1.512 56.717 58.100 0.214 0.000 1.050 78 Y CB 0.602 39.143 38.460 0.135 0.000 1.308 78 Y HN -0.229 nan 8.280 nan 0.000 0.456 79 V N 2.952 123.105 119.914 0.399 0.000 2.435 79 V HA 0.506 4.626 4.120 0.000 0.000 0.290 79 V C 0.110 176.368 176.094 0.273 0.000 1.030 79 V CA -0.888 61.524 62.300 0.186 0.000 0.881 79 V CB 1.328 33.064 31.823 -0.144 0.000 0.983 79 V HN 0.816 nan 8.190 nan 0.000 0.445 80 R N 4.395 125.060 120.500 0.276 0.000 2.389 80 R HA 0.555 4.895 4.340 0.000 0.000 0.295 80 R C -1.124 175.233 176.300 0.095 0.000 1.075 80 R CA -0.162 56.087 56.100 0.248 0.000 1.005 80 R CB 0.477 30.923 30.300 0.244 0.000 0.987 80 R HN 0.703 nan 8.270 nan 0.000 0.452 81 I N 4.058 124.630 120.570 0.003 0.000 2.498 81 I HA 0.294 4.464 4.170 0.000 0.000 0.290 81 I C -0.679 175.342 176.117 -0.161 0.000 1.032 81 I CA -0.695 60.572 61.300 -0.055 0.000 1.073 81 I CB 2.089 40.051 38.000 -0.063 0.000 1.251 81 I HN 0.563 nan 8.210 nan 0.000 0.426 82 K N 5.684 125.984 120.400 -0.167 0.000 2.316 82 K HA 0.371 4.691 4.320 0.000 0.000 0.251 82 K C -0.972 175.431 176.600 -0.327 0.000 0.934 82 K CA -0.722 55.352 56.287 -0.355 0.000 0.802 82 K CB 1.617 33.729 32.500 -0.646 0.000 1.171 82 K HN 0.500 nan 8.250 nan 0.000 0.426 83 N N 3.945 122.463 118.700 -0.303 0.000 2.457 83 N HA 0.097 4.837 4.740 0.000 0.000 0.250 83 N C -0.371 175.052 175.510 -0.146 0.000 0.982 83 N CA -0.335 52.657 53.050 -0.096 0.000 0.941 83 N CB 0.481 38.943 38.487 -0.042 0.000 1.120 83 N HN 0.654 nan 8.380 nan 0.000 0.505 84 W N 2.422 123.800 121.300 0.129 0.000 3.077 84 W HA 0.223 4.883 4.660 0.000 0.000 0.245 84 W C 1.870 178.430 176.519 0.068 0.000 1.316 84 W CA -0.199 57.215 57.345 0.116 0.000 1.537 84 W CB 0.339 29.899 29.460 0.168 0.000 1.131 84 W HN 0.654 nan 8.180 nan 0.000 0.695 85 G N -0.572 108.343 108.800 0.192 0.000 2.556 85 G HA2 -0.127 3.833 3.960 0.000 0.000 0.209 85 G HA3 -0.127 3.833 3.960 0.000 0.000 0.209 85 G C 1.534 176.437 174.900 0.005 0.000 1.159 85 G CA 0.841 45.949 45.100 0.014 0.000 0.828 85 G HN 0.219 nan 8.290 nan 0.000 0.553 86 S N -0.782 114.921 115.700 0.004 0.000 2.503 86 S HA 0.361 4.831 4.470 0.000 0.000 0.217 86 S C 1.979 176.546 174.600 -0.056 0.000 0.999 86 S CA 1.135 59.320 58.200 -0.026 0.000 0.914 86 S CB 0.202 63.384 63.200 -0.029 0.000 0.782 86 S HN 1.541 nan 8.310 nan 0.000 0.520 87 G N 1.252 109.998 108.800 -0.090 0.000 2.199 87 G HA2 -0.328 3.632 3.960 0.000 0.000 0.254 87 G HA3 -0.328 3.632 3.960 0.000 0.000 0.254 87 G C -0.092 174.690 174.900 -0.197 0.000 0.982 87 G CA 0.311 45.317 45.100 -0.156 0.000 0.632 87 G HN 0.754 nan 8.290 nan 0.000 0.529 88 E N 0.405 120.506 120.200 -0.165 0.000 2.442 88 E HA 0.407 4.757 4.350 0.000 0.000 0.262 88 E C 0.238 176.692 176.600 -0.244 0.000 1.004 88 E CA -0.107 56.184 56.400 -0.180 0.000 0.928 88 E CB 0.175 29.784 29.700 -0.151 0.000 0.937 88 E HN 0.402 nan 8.360 nan 0.000 0.446 89 I N 5.266 125.682 120.570 -0.257 0.000 2.474 89 I HA 0.323 4.493 4.170 0.000 0.000 0.294 89 I C -0.476 175.379 176.117 -0.437 0.000 1.005 89 I CA -0.773 60.340 61.300 -0.313 0.000 1.113 89 I CB 1.235 39.087 38.000 -0.246 0.000 1.289 89 I HN 0.445 nan 8.210 nan 0.000 0.436 90 L N 5.276 126.205 121.223 -0.491 0.000 2.354 90 L HA 0.509 4.849 4.340 0.000 0.000 0.264 90 L C -1.116 175.449 176.870 -0.509 0.000 1.008 90 L CA -0.791 53.692 54.840 -0.595 0.000 0.819 90 L CB 2.220 43.811 42.059 -0.780 0.000 1.339 90 L HN 0.550 nan 8.230 nan 0.000 0.420 91 H N 0.126 119.081 119.070 -0.192 0.000 2.587 91 H HA 0.217 4.774 4.556 0.000 0.000 0.325 91 H C -1.101 174.222 175.328 -0.008 0.000 1.012 91 H CA -0.752 55.120 56.048 -0.293 0.000 1.213 91 H CB 1.907 31.116 29.762 -0.922 0.000 1.431 91 H HN 0.398 nan 8.280 nan 0.000 0.492 92 D N 2.486 123.034 120.400 0.248 0.000 2.295 92 D HA 0.051 4.691 4.640 0.000 0.000 0.248 92 D C 0.288 176.714 176.300 0.210 0.000 1.154 92 D CA 0.079 54.244 54.000 0.276 0.000 0.857 92 D CB 1.469 42.424 40.800 0.259 0.000 1.117 92 D HN 0.604 nan 8.370 nan 0.000 0.468 93 T N 3.908 118.492 114.554 0.049 0.000 3.046 93 T HA 0.030 4.380 4.350 0.000 0.000 0.242 93 T C 2.052 176.572 174.700 -0.300 0.000 1.018 93 T CA -0.187 61.869 62.100 -0.073 0.000 1.131 93 T CB 0.088 68.949 68.868 -0.011 0.000 0.904 93 T HN 0.354 nan 8.240 nan 0.000 0.459 94 L N 1.830 122.928 121.223 -0.207 0.000 2.137 94 L HA -0.249 4.091 4.340 0.000 0.000 0.213 94 L C 2.593 179.166 176.870 -0.496 0.000 1.085 94 L CA 2.081 56.781 54.840 -0.234 0.000 0.760 94 L CB -0.469 41.543 42.059 -0.079 0.000 0.893 94 L HN 0.623 nan 8.230 nan 0.000 0.434 95 H N -3.278 115.250 119.070 -0.903 0.000 2.518 95 H HA -0.217 4.339 4.556 0.000 0.000 0.294 95 H C 1.823 176.799 175.328 -0.587 0.000 1.083 95 H CA 1.690 56.981 56.048 -1.262 0.000 1.264 95 H CB -0.684 28.469 29.762 -1.016 0.000 1.370 95 H HN 0.503 nan 8.280 nan 0.000 0.560 96 H N 0.762 119.396 119.070 -0.727 0.000 2.462 96 H HA 0.041 4.597 4.556 0.000 0.000 0.292 96 H C 1.355 176.535 175.328 -0.247 0.000 1.049 96 H CA 0.844 56.619 56.048 -0.456 0.000 1.334 96 H CB 0.251 29.777 29.762 -0.393 0.000 1.404 96 H HN 0.401 nan 8.280 nan 0.000 0.544 97 K N 0.915 121.250 120.400 -0.108 0.000 2.487 97 K HA 0.189 4.509 4.320 0.000 0.000 0.192 97 K C 0.638 177.214 176.600 -0.040 0.000 1.027 97 K CA -0.121 56.137 56.287 -0.048 0.000 1.054 97 K CB 0.592 33.074 32.500 -0.030 0.000 0.824 97 K HN 0.154 nan 8.250 nan 0.000 0.510 98 A N 1.377 124.147 122.820 -0.083 0.000 2.492 98 A HA 0.058 4.378 4.320 0.000 0.000 0.236 98 A C 0.340 177.911 177.584 -0.022 0.000 1.078 98 A CA 0.141 52.149 52.037 -0.050 0.000 0.773 98 A CB 0.170 19.119 19.000 -0.085 0.000 1.023 98 A HN 0.140 nan 8.150 nan 0.000 0.504 99 T N 1.705 116.241 114.554 -0.031 0.000 2.913 99 T HA 0.251 4.601 4.350 0.000 0.000 0.297 99 T C 1.819 176.538 174.700 0.031 0.000 1.029 99 T CA 0.416 62.513 62.100 -0.005 0.000 1.104 99 T CB 0.880 69.729 68.868 -0.031 0.000 0.964 99 T HN 0.776 nan 8.240 nan 0.000 0.532 100 S N 1.914 117.642 115.700 0.046 0.000 2.472 100 S HA -0.194 4.276 4.470 0.000 0.000 0.292 100 S C 0.615 175.256 174.600 0.068 0.000 1.175 100 S CA 1.717 59.950 58.200 0.055 0.000 1.249 100 S CB -0.215 63.018 63.200 0.055 0.000 1.208 100 S HN 0.753 nan 8.310 nan 0.000 0.442 101 D N -1.506 118.946 120.400 0.087 0.000 2.934 101 D HA 0.601 5.241 4.640 0.000 0.000 0.230 101 D C -0.715 175.706 176.300 0.201 0.000 1.204 101 D CA -0.562 53.509 54.000 0.119 0.000 0.873 101 D CB 1.372 42.221 40.800 0.081 0.000 1.645 101 D HN 0.036 nan 8.370 nan 0.000 0.502 102 F N 0.316 120.279 119.950 0.022 0.000 2.363 102 F HA 0.284 4.811 4.527 0.000 0.000 0.332 102 F C 1.972 177.790 175.800 0.029 0.000 1.039 102 F CA -0.495 57.518 58.000 0.021 0.000 1.127 102 F CB 0.605 39.628 39.000 0.038 0.000 1.701 102 F HN 0.256 nan 8.300 nan 0.000 0.532 103 T N 0.712 114.705 114.554 -0.935 0.000 3.023 103 T HA 0.052 4.402 4.350 0.000 0.000 0.266 103 T C 0.435 174.950 174.700 -0.308 0.000 1.093 103 T CA 0.647 62.356 62.100 -0.651 0.000 1.129 103 T CB -0.629 67.702 68.868 -0.894 0.000 0.899 103 T HN 0.370 nan 8.240 nan 0.000 0.491 104 C N 2.456 121.635 119.300 -0.201 0.000 2.370 104 C HA 0.738 5.198 4.460 0.000 0.000 0.354 104 C C 0.389 175.378 174.990 -0.002 0.000 1.218 104 C CA -1.237 57.746 59.018 -0.057 0.000 2.154 104 C CB 1.220 28.965 27.740 0.007 0.000 2.391 104 C HN 0.390 nan 8.230 nan 0.000 0.540 105 K N 1.085 121.485 120.400 -0.000 0.000 2.148 105 K HA 0.318 4.638 4.320 0.000 0.000 0.239 105 K C 1.251 177.865 176.600 0.022 0.000 1.018 105 K CA 0.041 56.335 56.287 0.012 0.000 0.923 105 K CB 0.693 33.196 32.500 0.004 0.000 1.117 105 K HN 0.729 nan 8.250 nan 0.000 0.477 106 S N 0.874 116.588 115.700 0.023 0.000 2.383 106 S HA -0.082 4.388 4.470 0.000 0.000 0.227 106 S C 0.748 175.359 174.600 0.019 0.000 1.026 106 S CA 1.004 59.219 58.200 0.025 0.000 0.981 106 S CB -0.239 62.975 63.200 0.023 0.000 0.818 106 S HN 0.596 nan 8.310 nan 0.000 0.472 107 K N 0.500 120.908 120.400 0.014 0.000 2.399 107 K HA 0.393 4.713 4.320 0.000 0.000 0.204 107 K C -0.101 176.503 176.600 0.007 0.000 1.023 107 K CA -0.086 56.207 56.287 0.010 0.000 1.127 107 K CB 0.674 33.179 32.500 0.008 0.000 0.856 107 K HN 0.258 nan 8.250 nan 0.000 0.514 108 S N -0.002 115.702 115.700 0.007 0.000 2.537 108 S HA 0.277 4.747 4.470 0.000 0.000 0.270 108 S C -1.730 172.872 174.600 0.002 0.000 1.142 108 S CA -0.754 57.448 58.200 0.003 0.000 0.870 108 S CB 1.538 64.738 63.200 0.001 0.000 1.112 108 S HN 0.271 nan 8.310 nan 0.000 0.466 109 C N 5.751 125.051 119.300 -0.000 0.000 2.281 109 C HA 0.622 5.082 4.460 0.000 0.000 0.325 109 C C 0.501 175.486 174.990 -0.008 0.000 1.282 109 C CA -0.587 58.431 59.018 -0.000 0.000 1.640 109 C CB -0.715 27.026 27.740 0.003 0.000 2.288 109 C HN 0.839 nan 8.230 nan 0.000 0.507 110 L N 5.774 126.980 121.223 -0.027 0.000 2.857 110 L HA 0.241 4.581 4.340 0.000 0.000 0.249 110 L C 2.156 179.005 176.870 -0.035 0.000 1.172 110 L CA 0.690 55.508 54.840 -0.035 0.000 0.980 110 L CB -0.768 41.252 42.059 -0.065 0.000 1.299 110 L HN 1.067 nan 8.230 nan 0.000 0.535 111 G N -0.212 108.583 108.800 -0.009 0.000 2.485 111 G HA2 -0.294 3.666 3.960 0.000 0.000 0.221 111 G HA3 -0.294 3.666 3.960 0.000 0.000 0.221 111 G C 1.658 176.614 174.900 0.093 0.000 1.115 111 G CA 1.208 46.331 45.100 0.038 0.000 0.751 111 G HN 0.392 nan 8.290 nan 0.000 0.567 112 S N -0.326 115.422 115.700 0.081 0.000 2.481 112 S HA 0.115 4.585 4.470 0.000 0.000 0.231 112 S C 1.120 175.792 174.600 0.119 0.000 0.996 112 S CA -0.389 57.877 58.200 0.111 0.000 0.942 112 S CB -0.259 62.986 63.200 0.074 0.000 0.768 112 S HN 0.100 nan 8.310 nan 0.000 0.520 113 I N 2.929 123.549 120.570 0.083 0.000 2.598 113 I HA 0.041 4.211 4.170 0.000 0.000 0.284 113 I C 1.572 177.770 176.117 0.135 0.000 1.140 113 I CA 0.298 61.646 61.300 0.081 0.000 1.420 113 I CB 0.351 38.371 38.000 0.033 0.000 1.387 113 I HN 0.355 nan 8.210 nan 0.000 0.553 114 M N 4.753 124.446 119.600 0.155 0.000 2.077 114 M HA -0.113 4.367 4.480 0.000 0.000 0.261 114 M C 0.384 176.777 176.300 0.156 0.000 1.070 114 M CA 1.605 57.037 55.300 0.220 0.000 1.125 114 M CB -0.259 32.452 32.600 0.184 0.000 1.339 114 M HN 0.517 nan 8.290 nan 0.000 0.409 115 N N 1.290 120.033 118.700 0.073 0.000 3.114 115 N HA 0.303 5.043 4.740 0.000 0.000 0.289 115 N C -2.405 173.155 175.510 0.083 0.000 1.519 115 N CA -0.820 52.258 53.050 0.047 0.000 1.026 115 N CB 0.356 38.801 38.487 -0.071 0.000 1.306 115 N HN 0.272 nan 8.380 nan 0.000 0.495 116 P HA 0.202 nan 4.420 nan 0.000 0.274 116 P C 0.631 177.978 177.300 0.078 0.000 1.231 116 P CA -0.337 62.790 63.100 0.045 0.000 0.790 116 P CB 2.017 33.700 31.700 -0.029 0.000 0.951 117 K N 0.588 121.013 120.400 0.043 0.000 2.152 117 K HA -0.111 4.209 4.320 0.000 0.000 0.206 117 K C 2.046 178.693 176.600 0.079 0.000 1.048 117 K CA 1.990 58.309 56.287 0.054 0.000 0.933 117 K CB -0.369 32.145 32.500 0.023 0.000 0.721 117 K HN 0.562 nan 8.250 nan 0.000 0.447 118 S N 0.468 116.201 115.700 0.055 0.000 2.469 118 S HA -0.094 4.376 4.470 0.000 0.000 0.238 118 S C 1.498 176.225 174.600 0.213 0.000 0.998 118 S CA 0.811 59.070 58.200 0.099 0.000 0.957 118 S CB -0.003 63.204 63.200 0.010 0.000 0.764 118 S HN 0.093 nan 8.310 nan 0.000 0.514 119 L N 1.361 122.718 121.223 0.222 0.000 2.728 119 L HA 0.417 4.757 4.340 0.000 0.000 0.238 119 L C -0.036 177.093 176.870 0.431 0.000 1.143 119 L CA 0.502 55.522 54.840 0.300 0.000 0.937 119 L CB 0.192 42.353 42.059 0.169 0.000 1.225 119 L HN 0.218 nan 8.230 nan 0.000 0.507 120 T N -0.390 114.374 114.554 0.350 0.000 2.807 120 T HA 0.501 4.851 4.350 0.000 0.000 0.279 120 T C -0.352 174.397 174.700 0.081 0.000 0.993 120 T CA -0.491 61.772 62.100 0.272 0.000 0.970 120 T CB 2.217 71.192 68.868 0.179 0.000 0.950 120 T HN -0.156 nan 8.240 nan 0.000 0.441 121 R N 1.959 122.474 120.500 0.026 0.000 2.310 121 R HA 0.593 4.933 4.340 0.000 0.000 0.316 121 R C 0.505 176.774 176.300 -0.052 0.000 1.004 121 R CA -0.415 55.593 56.100 -0.152 0.000 0.900 121 R CB 0.149 30.251 30.300 -0.330 0.000 1.152 121 R HN 0.842 nan 8.270 nan 0.000 0.513 122 G N 3.282 112.049 108.800 -0.055 0.000 2.516 122 G HA2 0.321 4.281 3.960 0.000 0.000 0.276 122 G HA3 0.321 4.281 3.960 0.000 0.000 0.276 122 G C -1.975 172.900 174.900 -0.043 0.000 1.390 122 G CA -0.950 44.123 45.100 -0.045 0.000 1.050 122 G HN 0.487 nan 8.290 nan 0.000 0.519 123 P HA 0.399 nan 4.420 nan 0.000 0.274 123 P C -0.302 176.986 177.300 -0.020 0.000 1.260 123 P CA -0.203 62.879 63.100 -0.029 0.000 0.793 123 P CB 0.585 32.266 31.700 -0.032 0.000 1.048 124 R N -0.245 120.250 120.500 -0.008 0.000 2.710 124 R HA 0.258 4.598 4.340 0.000 0.000 0.270 124 R C -0.382 175.922 176.300 0.007 0.000 1.021 124 R CA -0.561 55.538 56.100 -0.002 0.000 0.889 124 R CB 1.597 31.897 30.300 0.000 0.000 1.243 124 R HN 0.342 nan 8.270 nan 0.000 0.464 125 D N 0.458 120.863 120.400 0.009 0.000 2.514 125 D HA 0.146 4.786 4.640 0.000 0.000 0.249 125 D C -0.432 175.883 176.300 0.024 0.000 1.036 125 D CA 0.962 54.970 54.000 0.014 0.000 0.911 125 D CB 0.820 41.625 40.800 0.009 0.000 1.145 125 D HN 0.219 nan 8.370 nan 0.000 0.495 126 K N 0.473 120.885 120.400 0.020 0.000 2.350 126 K HA 0.530 4.850 4.320 0.000 0.000 0.241 126 K C -2.653 173.960 176.600 0.022 0.000 0.994 126 K CA -1.764 54.537 56.287 0.023 0.000 0.839 126 K CB 1.982 34.492 32.500 0.017 0.000 1.244 126 K HN -0.235 nan 8.250 nan 0.000 0.443 127 P HA 0.030 nan 4.420 nan 0.000 0.273 127 P C -0.805 176.506 177.300 0.017 0.000 1.250 127 P CA -0.304 62.807 63.100 0.018 0.000 0.793 127 P CB 0.315 32.026 31.700 0.019 0.000 1.011 128 T N 2.690 117.255 114.554 0.018 0.000 2.853 128 T HA 0.160 4.510 4.350 0.000 0.000 0.298 128 T C -2.119 172.598 174.700 0.028 0.000 0.978 128 T CA -0.666 61.450 62.100 0.027 0.000 1.152 128 T CB -0.683 68.210 68.868 0.041 0.000 0.914 128 T HN 0.284 nan 8.240 nan 0.000 0.539 129 P HA 0.048 nan 4.420 nan 0.000 0.262 129 P C 1.240 178.548 177.300 0.013 0.000 1.182 129 P CA -0.232 62.877 63.100 0.014 0.000 0.761 129 P CB 0.416 32.120 31.700 0.008 0.000 0.795 130 L N 3.241 124.470 121.223 0.011 0.000 2.051 130 L HA -0.223 4.117 4.340 0.000 0.000 0.214 130 L C 2.268 179.132 176.870 -0.010 0.000 1.076 130 L CA 2.127 56.971 54.840 0.007 0.000 0.758 130 L CB -0.957 41.104 42.059 0.004 0.000 0.890 130 L HN 0.580 nan 8.230 nan 0.000 0.433 131 E N 0.265 120.453 120.200 -0.019 0.000 2.204 131 E HA -0.235 4.115 4.350 0.000 0.000 0.195 131 E C 1.514 178.071 176.600 -0.071 0.000 0.990 131 E CA 1.241 57.617 56.400 -0.038 0.000 0.821 131 E CB -0.228 29.453 29.700 -0.032 0.000 0.750 131 E HN 0.615 nan 8.360 nan 0.000 0.477 132 E N 0.673 120.837 120.200 -0.061 0.000 2.102 132 E HA 0.066 4.416 4.350 0.000 0.000 0.190 132 E C 2.339 178.868 176.600 -0.119 0.000 0.971 132 E CA 0.221 56.553 56.400 -0.114 0.000 0.821 132 E CB -0.028 29.662 29.700 -0.017 0.000 0.777 132 E HN 0.155 nan 8.360 nan 0.000 0.460 133 L N 1.118 122.344 121.223 0.006 0.000 1.994 133 L HA -0.198 4.142 4.340 0.000 0.000 0.208 133 L C 2.440 179.339 176.870 0.048 0.000 1.071 133 L CA 0.808 55.698 54.840 0.083 0.000 0.745 133 L CB -0.151 41.966 42.059 0.097 0.000 0.892 133 L HN 0.170 nan 8.230 nan 0.000 0.431 134 L N 0.426 121.640 121.223 -0.015 0.000 1.990 134 L HA -0.155 4.185 4.340 0.000 0.000 0.213 134 L C -0.521 176.330 176.870 -0.031 0.000 1.072 134 L CA 2.281 57.097 54.840 -0.040 0.000 0.755 134 L CB -1.819 40.213 42.059 -0.045 0.000 0.889 134 L HN 0.126 nan 8.230 nan 0.000 0.432 135 P HA -0.143 nan 4.420 nan 0.000 0.215 135 P C 1.282 178.611 177.300 0.049 0.000 1.153 135 P CA 1.526 64.590 63.100 -0.059 0.000 0.853 135 P CB -0.190 31.414 31.700 -0.160 0.000 0.788 136 H N -0.598 118.518 119.070 0.077 0.000 2.353 136 H HA 0.016 4.572 4.556 0.000 0.000 0.300 136 H C 1.983 177.417 175.328 0.177 0.000 1.090 136 H CA 1.449 57.569 56.048 0.121 0.000 1.327 136 H CB -1.107 28.723 29.762 0.112 0.000 1.383 136 H HN 0.037 nan 8.280 nan 0.000 0.508 137 A N 1.513 124.485 122.820 0.253 0.000 1.858 137 A HA -0.134 4.187 4.320 0.000 0.000 0.216 137 A C 2.450 180.139 177.584 0.176 0.000 1.190 137 A CA 1.478 53.620 52.037 0.176 0.000 0.617 137 A CB -0.558 18.309 19.000 -0.222 0.000 0.827 137 A HN 0.202 nan 8.150 nan 0.000 0.443 138 I N 0.039 120.666 120.570 0.096 0.000 2.163 138 I HA -0.246 3.924 4.170 0.000 0.000 0.243 138 I C 2.432 178.645 176.117 0.160 0.000 1.085 138 I CA 1.956 63.316 61.300 0.101 0.000 1.347 138 I CB -1.566 36.468 38.000 0.058 0.000 1.044 138 I HN 0.570 nan 8.210 nan 0.000 0.408 139 E N 0.429 120.741 120.200 0.187 0.000 2.085 139 E HA -0.279 4.071 4.350 0.000 0.000 0.194 139 E C 2.298 179.041 176.600 0.238 0.000 0.994 139 E CA 1.281 57.800 56.400 0.199 0.000 0.801 139 E CB -0.211 29.621 29.700 0.221 0.000 0.743 139 E HN 0.359 nan 8.360 nan 0.000 0.453 140 F N 1.244 121.303 119.950 0.182 0.000 2.102 140 F HA -0.130 4.397 4.527 0.000 0.000 0.298 140 F C 1.911 177.843 175.800 0.220 0.000 1.105 140 F CA 1.359 59.485 58.000 0.209 0.000 1.239 140 F CB -0.278 38.861 39.000 0.231 0.000 0.991 140 F HN -0.010 nan 8.300 nan 0.000 0.474 141 I N 0.634 121.207 120.570 0.005 0.000 2.264 141 I HA -0.356 3.814 4.170 0.000 0.000 0.248 141 I C 2.173 178.294 176.117 0.006 0.000 1.111 141 I CA 1.440 62.731 61.300 -0.016 0.000 1.382 141 I CB -0.667 37.450 38.000 0.195 0.000 1.060 141 I HN 0.272 nan 8.210 nan 0.000 0.418 142 N N 0.398 119.136 118.700 0.064 0.000 2.188 142 N HA -0.233 4.507 4.740 0.000 0.000 0.184 142 N C 1.875 177.358 175.510 -0.044 0.000 1.018 142 N CA 1.161 54.255 53.050 0.073 0.000 0.858 142 N CB -0.150 38.437 38.487 0.167 0.000 0.989 142 N HN 0.522 nan 8.380 nan 0.000 0.426 143 Q N 0.255 120.023 119.800 -0.054 0.000 2.020 143 Q HA -0.212 4.128 4.340 0.000 0.000 0.202 143 Q C 2.085 177.922 176.000 -0.271 0.000 0.982 143 Q CA 1.274 57.047 55.803 -0.051 0.000 0.838 143 Q CB -0.252 28.544 28.738 0.098 0.000 0.899 143 Q HN 0.364 nan 8.270 nan 0.000 0.423 144 Y N 0.173 120.046 120.300 -0.711 0.000 2.053 144 Y HA -0.318 4.232 4.550 0.000 0.000 0.277 144 Y C 1.758 177.166 175.900 -0.819 0.000 1.159 144 Y CA 2.189 59.545 58.100 -1.241 0.000 1.125 144 Y CB -0.761 36.977 38.460 -1.203 0.000 0.969 144 Y HN 0.215 nan 8.280 nan 0.000 0.492 145 Y N -0.083 119.951 120.300 -0.444 0.000 2.421 145 Y HA -0.022 4.528 4.550 0.000 0.000 0.292 145 Y C 2.545 178.322 175.900 -0.205 0.000 1.136 145 Y CA 1.283 59.189 58.100 -0.322 0.000 1.255 145 Y CB -0.765 37.218 38.460 -0.794 0.000 0.991 145 Y HN 0.263 nan 8.280 nan 0.000 0.552 146 G N -2.163 106.552 108.800 -0.143 0.000 3.026 146 G HA2 -0.072 3.888 3.960 0.000 0.000 0.208 146 G HA3 -0.072 3.888 3.960 0.000 0.000 0.208 146 G C 1.684 176.509 174.900 -0.124 0.000 1.169 146 G CA 0.728 45.795 45.100 -0.055 0.000 0.788 146 G HN 0.306 nan 8.290 nan 0.000 0.533 147 S N 0.076 115.574 115.700 -0.336 0.000 2.355 147 S HA 0.211 4.681 4.470 0.000 0.000 0.216 147 S C 0.734 175.118 174.600 -0.360 0.000 1.037 147 S CA -0.424 57.511 58.200 -0.441 0.000 0.955 147 S CB -0.213 62.470 63.200 -0.862 0.000 0.877 147 S HN 0.199 nan 8.310 nan 0.000 0.488 148 F N 3.224 123.002 119.950 -0.287 0.000 2.642 148 F HA 0.053 4.580 4.527 0.000 0.000 0.371 148 F C 1.549 177.289 175.800 -0.099 0.000 1.120 148 F CA 0.290 58.176 58.000 -0.190 0.000 1.331 148 F CB 0.301 39.172 39.000 -0.214 0.000 1.044 148 F HN 0.149 nan 8.300 nan 0.000 0.594 149 K N 1.752 122.210 120.400 0.098 0.000 2.020 149 K HA -0.187 4.133 4.320 0.000 0.000 0.212 149 K C -0.052 176.586 176.600 0.062 0.000 1.050 149 K CA 1.840 58.161 56.287 0.057 0.000 0.929 149 K CB -0.016 32.510 32.500 0.043 0.000 0.714 149 K HN 0.750 nan 8.250 nan 0.000 0.443 150 E N 1.021 121.264 120.200 0.073 0.000 2.102 150 E HA 0.344 4.694 4.350 0.000 0.000 0.263 150 E C -1.148 175.478 176.600 0.043 0.000 0.894 150 E CA -0.521 55.905 56.400 0.043 0.000 0.746 150 E CB 1.627 31.340 29.700 0.020 0.000 1.129 150 E HN 0.289 nan 8.360 nan 0.000 0.416 151 A N 3.984 126.838 122.820 0.056 0.000 2.567 151 A HA -0.034 4.286 4.320 0.000 0.000 0.240 151 A C 0.284 177.867 177.584 -0.002 0.000 1.053 151 A CA 0.087 52.161 52.037 0.061 0.000 0.755 151 A CB 0.028 19.086 19.000 0.097 0.000 0.978 151 A HN 0.534 nan 8.150 nan 0.000 0.507 152 K N 3.834 124.206 120.400 -0.048 0.000 2.518 152 K HA 0.235 4.555 4.320 0.000 0.000 0.244 152 K C 0.611 177.174 176.600 -0.061 0.000 1.232 152 K CA -0.109 56.131 56.287 -0.077 0.000 1.189 152 K CB -0.067 32.348 32.500 -0.143 0.000 1.737 152 K HN 0.733 nan 8.250 nan 0.000 0.333 153 I N 0.520 121.070 120.570 -0.033 0.000 2.113 153 I HA -0.418 3.752 4.170 0.000 0.000 0.242 153 I C 1.593 177.638 176.117 -0.120 0.000 1.057 153 I CA 1.614 62.880 61.300 -0.055 0.000 1.314 153 I CB -0.345 37.623 38.000 -0.055 0.000 1.022 153 I HN 0.409 nan 8.210 nan 0.000 0.408 154 E N 1.134 121.274 120.200 -0.100 0.000 2.058 154 E HA -0.227 4.123 4.350 0.000 0.000 0.194 154 E C 2.111 178.633 176.600 -0.131 0.000 0.997 154 E CA 1.520 57.859 56.400 -0.102 0.000 0.801 154 E CB -0.281 29.378 29.700 -0.069 0.000 0.746 154 E HN 0.542 nan 8.360 nan 0.000 0.450 155 E N -0.301 119.814 120.200 -0.141 0.000 2.106 155 E HA -0.214 4.136 4.350 0.000 0.000 0.192 155 E C 2.071 178.403 176.600 -0.446 0.000 0.984 155 E CA 1.016 57.318 56.400 -0.163 0.000 0.806 155 E CB -0.217 29.458 29.700 -0.042 0.000 0.750 155 E HN 0.474 nan 8.360 nan 0.000 0.458 156 H N 0.333 118.880 119.070 -0.871 0.000 2.290 156 H HA -0.157 4.399 4.556 0.000 0.000 0.298 156 H C 1.964 176.952 175.328 -0.566 0.000 1.087 156 H CA 0.970 56.256 56.048 -1.270 0.000 1.291 156 H CB 0.202 29.529 29.762 -0.725 0.000 1.369 156 H HN 0.036 nan 8.280 nan 0.000 0.492 157 L N 0.926 121.982 121.223 -0.278 0.000 2.046 157 L HA -0.106 4.234 4.340 0.000 0.000 0.208 157 L C 2.896 179.688 176.870 -0.131 0.000 1.077 157 L CA 1.699 56.406 54.840 -0.223 0.000 0.747 157 L CB -1.321 40.618 42.059 -0.200 0.000 0.896 157 L HN 0.446 nan 8.230 nan 0.000 0.432 158 A N -0.734 122.012 122.820 -0.123 0.000 1.933 158 A HA -0.234 4.086 4.320 0.000 0.000 0.218 158 A C 2.493 180.060 177.584 -0.029 0.000 1.175 158 A CA 1.736 53.733 52.037 -0.066 0.000 0.628 158 A CB -0.427 18.542 19.000 -0.053 0.000 0.814 158 A HN 0.314 nan 8.150 nan 0.000 0.444 159 R N -0.006 120.474 120.500 -0.033 0.000 2.073 159 R HA 0.073 4.413 4.340 0.000 0.000 0.229 159 R C 1.885 178.222 176.300 0.062 0.000 1.120 159 R CA 1.373 57.515 56.100 0.070 0.000 0.967 159 R CB -0.860 29.571 30.300 0.220 0.000 0.862 159 R HN 0.499 nan 8.270 nan 0.000 0.436 160 L N 0.477 121.722 121.223 0.037 0.000 2.042 160 L HA -0.191 4.149 4.340 0.000 0.000 0.210 160 L C 2.600 179.465 176.870 -0.008 0.000 1.076 160 L CA 1.697 56.554 54.840 0.029 0.000 0.749 160 L CB -0.539 41.525 42.059 0.007 0.000 0.893 160 L HN 0.360 nan 8.230 nan 0.000 0.432 161 E N 0.241 120.429 120.200 -0.020 0.000 2.028 161 E HA -0.212 4.138 4.350 0.000 0.000 0.191 161 E C 2.208 178.803 176.600 -0.008 0.000 0.988 161 E CA 1.402 57.789 56.400 -0.021 0.000 0.799 161 E CB 0.022 29.705 29.700 -0.028 0.000 0.755 161 E HN 0.434 nan 8.360 nan 0.000 0.447 162 A N 0.653 123.478 122.820 0.008 0.000 1.972 162 A HA -0.122 4.198 4.320 0.000 0.000 0.219 162 A C 2.490 180.090 177.584 0.027 0.000 1.169 162 A CA 1.366 53.418 52.037 0.025 0.000 0.635 162 A CB -0.535 18.492 19.000 0.046 0.000 0.810 162 A HN 0.185 nan 8.150 nan 0.000 0.446 163 V N -0.425 119.494 119.914 0.009 0.000 2.379 163 V HA -0.191 3.929 4.120 0.000 0.000 0.245 163 V C 2.743 178.775 176.094 -0.104 0.000 1.044 163 V CA 2.393 64.658 62.300 -0.057 0.000 1.036 163 V CB -1.112 30.625 31.823 -0.143 0.000 0.664 163 V HN 0.610 nan 8.190 nan 0.000 0.453 164 T N -0.264 114.244 114.554 -0.076 0.000 2.708 164 T HA -0.264 4.086 4.350 0.000 0.000 0.266 164 T C 1.938 176.619 174.700 -0.032 0.000 1.037 164 T CA 1.933 63.995 62.100 -0.063 0.000 1.146 164 T CB -0.216 68.626 68.868 -0.044 0.000 0.865 164 T HN 0.446 nan 8.240 nan 0.000 0.435 165 K N 1.028 121.419 120.400 -0.015 0.000 2.032 165 K HA -0.174 4.146 4.320 0.000 0.000 0.209 165 K C 2.366 178.975 176.600 0.015 0.000 1.048 165 K CA 1.704 57.992 56.287 0.001 0.000 0.927 165 K CB -0.102 32.401 32.500 0.006 0.000 0.712 165 K HN 0.410 nan 8.250 nan 0.000 0.441 166 E N 0.367 120.584 120.200 0.029 0.000 2.110 166 E HA -0.174 4.176 4.350 0.000 0.000 0.193 166 E C 1.970 178.610 176.600 0.065 0.000 0.988 166 E CA 1.217 57.654 56.400 0.061 0.000 0.804 166 E CB -0.029 29.736 29.700 0.107 0.000 0.745 166 E HN 0.380 nan 8.360 nan 0.000 0.458 167 I N 1.556 122.150 120.570 0.039 0.000 2.202 167 I HA -0.266 3.904 4.170 0.000 0.000 0.242 167 I C 2.412 178.546 176.117 0.029 0.000 1.091 167 I CA 1.613 62.938 61.300 0.042 0.000 1.368 167 I CB -0.446 37.545 38.000 -0.015 0.000 1.058 167 I HN 0.234 nan 8.210 nan 0.000 0.410 168 E N 0.145 120.352 120.200 0.011 0.000 2.472 168 E HA -0.123 4.227 4.350 0.000 0.000 0.200 168 E C 1.394 178.002 176.600 0.015 0.000 1.046 168 E CA 1.266 57.672 56.400 0.009 0.000 0.871 168 E CB -0.245 29.455 29.700 0.000 0.000 0.806 168 E HN 0.407 nan 8.360 nan 0.000 0.533 169 T N -0.246 114.321 114.554 0.022 0.000 3.000 169 T HA 0.044 4.394 4.350 0.000 0.000 0.248 169 T C 1.462 176.178 174.700 0.027 0.000 1.034 169 T CA 0.947 63.061 62.100 0.022 0.000 1.060 169 T CB 0.443 69.325 68.868 0.023 0.000 0.983 169 T HN 0.206 nan 8.240 nan 0.000 0.482 170 T N -0.561 114.015 114.554 0.037 0.000 2.959 170 T HA 0.478 4.828 4.350 0.000 0.000 0.254 170 T C 1.760 176.482 174.700 0.037 0.000 1.003 170 T CA 0.478 62.601 62.100 0.037 0.000 0.950 170 T CB 0.659 69.555 68.868 0.048 0.000 1.090 170 T HN 0.451 nan 8.240 nan 0.000 0.503 171 G N 1.167 109.994 108.800 0.044 0.000 2.490 171 G HA2 -0.250 3.710 3.960 0.000 0.000 0.214 171 G HA3 -0.250 3.710 3.960 0.000 0.000 0.214 171 G C 0.411 175.354 174.900 0.070 0.000 1.151 171 G CA 0.393 45.519 45.100 0.043 0.000 0.684 171 G HN 0.759 nan 8.290 nan 0.000 0.518 172 T N -0.404 114.199 114.554 0.083 0.000 2.804 172 T HA 0.750 5.100 4.350 0.000 0.000 0.272 172 T C -0.775 174.060 174.700 0.225 0.000 0.986 172 T CA 0.452 62.630 62.100 0.130 0.000 0.999 172 T CB 1.469 70.356 68.868 0.032 0.000 1.307 172 T HN 1.569 nan 8.240 nan 0.000 0.586 173 Y N -0.672 119.632 120.300 0.007 0.000 2.638 173 Y HA 0.730 5.280 4.550 0.000 0.000 0.335 173 Y C -1.321 174.596 175.900 0.029 0.000 1.155 173 Y CA -1.262 56.854 58.100 0.026 0.000 1.046 173 Y CB 0.955 39.443 38.460 0.047 0.000 1.303 173 Y HN 0.364 nan 8.280 nan 0.000 0.460 174 Q N 2.657 122.458 119.800 0.000 0.000 2.282 174 Q HA 0.488 4.828 4.340 0.000 0.000 0.260 174 Q C -0.869 175.111 176.000 -0.034 0.000 0.964 174 Q CA -0.752 55.000 55.803 -0.085 0.000 0.880 174 Q CB 2.717 31.459 28.738 0.008 0.000 1.286 174 Q HN 0.867 nan 8.270 nan 0.000 0.445 175 L N 1.599 122.773 121.223 -0.081 0.000 2.395 175 L HA 0.277 4.617 4.340 0.000 0.000 0.269 175 L C 1.093 177.984 176.870 0.035 0.000 1.133 175 L CA -0.390 54.460 54.840 0.017 0.000 0.812 175 L CB 0.798 42.854 42.059 -0.005 0.000 1.125 175 L HN 0.677 nan 8.230 nan 0.000 0.452 176 T N -0.745 113.833 114.554 0.040 0.000 2.868 176 T HA 0.109 4.459 4.350 0.000 0.000 0.292 176 T C 0.949 175.648 174.700 -0.001 0.000 1.028 176 T CA -0.708 61.405 62.100 0.021 0.000 1.059 176 T CB 1.043 69.923 68.868 0.019 0.000 0.991 176 T HN 0.466 nan 8.240 nan 0.000 0.531 177 L N 0.761 121.987 121.223 0.006 0.000 2.042 177 L HA -0.022 4.318 4.340 0.000 0.000 0.210 177 L C 2.155 179.036 176.870 0.018 0.000 1.076 177 L CA 1.992 56.830 54.840 -0.004 0.000 0.749 177 L CB -1.166 40.894 42.059 0.000 0.000 0.893 177 L HN 0.901 nan 8.230 nan 0.000 0.432 178 D N -0.670 119.759 120.400 0.049 0.000 2.178 178 D HA -0.176 4.464 4.640 0.000 0.000 0.202 178 D C 2.008 178.382 176.300 0.124 0.000 0.974 178 D CA 1.046 55.120 54.000 0.124 0.000 0.841 178 D CB 0.172 41.098 40.800 0.211 0.000 0.953 178 D HN 0.551 nan 8.370 nan 0.000 0.478 179 E N -0.204 119.943 120.200 -0.088 0.000 2.107 179 E HA -0.068 4.282 4.350 0.000 0.000 0.191 179 E C 2.226 178.938 176.600 0.187 0.000 0.982 179 E CA 0.083 56.391 56.400 -0.154 0.000 0.809 179 E CB 0.095 29.673 29.700 -0.204 0.000 0.756 179 E HN 0.273 nan 8.360 nan 0.000 0.459 180 L N 1.036 122.289 121.223 0.050 0.000 2.017 180 L HA -0.205 4.135 4.340 0.000 0.000 0.208 180 L C 2.339 179.208 176.870 -0.002 0.000 1.073 180 L CA 1.240 56.054 54.840 -0.045 0.000 0.745 180 L CB -0.206 41.774 42.059 -0.132 0.000 0.894 180 L HN 0.215 nan 8.230 nan 0.000 0.432 181 I N -0.792 119.804 120.570 0.043 0.000 2.118 181 I HA -0.401 3.769 4.170 0.000 0.000 0.241 181 I C 2.482 178.686 176.117 0.146 0.000 1.070 181 I CA 1.750 63.085 61.300 0.058 0.000 1.327 181 I CB -0.461 37.581 38.000 0.069 0.000 1.034 181 I HN 0.247 nan 8.210 nan 0.000 0.405 182 F N 1.826 121.848 119.950 0.120 0.000 2.126 182 F HA -0.259 4.268 4.527 0.000 0.000 0.299 182 F C 2.463 178.376 175.800 0.187 0.000 1.096 182 F CA 1.515 59.626 58.000 0.184 0.000 1.255 182 F CB -0.399 38.783 39.000 0.304 0.000 0.997 182 F HN 0.014 nan 8.300 nan 0.000 0.479 183 A N 0.018 122.963 122.820 0.208 0.000 1.883 183 A HA -0.228 4.092 4.320 0.000 0.000 0.217 183 A C 2.285 179.774 177.584 -0.159 0.000 1.186 183 A CA 2.716 54.755 52.037 0.004 0.000 0.624 183 A CB -1.679 17.269 19.000 -0.086 0.000 0.822 183 A HN 0.558 nan 8.150 nan 0.000 0.444 184 T N -1.798 112.695 114.554 -0.100 0.000 2.821 184 T HA -0.127 4.224 4.350 0.000 0.000 0.267 184 T C 1.817 176.544 174.700 0.046 0.000 1.046 184 T CA 1.595 63.667 62.100 -0.046 0.000 1.139 184 T CB -0.303 68.553 68.868 -0.019 0.000 0.871 184 T HN 0.534 nan 8.240 nan 0.000 0.454 185 K N 0.212 120.646 120.400 0.056 0.000 2.057 185 K HA 0.082 4.402 4.320 0.000 0.000 0.206 185 K C 2.529 179.146 176.600 0.028 0.000 1.050 185 K CA 1.196 57.597 56.287 0.190 0.000 0.935 185 K CB -0.233 32.415 32.500 0.247 0.000 0.715 185 K HN 0.231 nan 8.250 nan 0.000 0.439 186 M N 0.620 120.068 119.600 -0.253 0.000 2.117 186 M HA -0.106 4.374 4.480 0.000 0.000 0.262 186 M C 2.458 178.580 176.300 -0.297 0.000 1.065 186 M CA 1.497 56.561 55.300 -0.392 0.000 1.114 186 M CB -1.152 31.117 32.600 -0.551 0.000 1.361 186 M HN 0.167 nan 8.290 nan 0.000 0.408 187 A N -0.467 122.144 122.820 -0.348 0.000 1.883 187 A HA -0.232 4.088 4.320 0.000 0.000 0.217 187 A C 2.025 179.379 177.584 -0.383 0.000 1.186 187 A CA 1.790 53.463 52.037 -0.607 0.000 0.624 187 A CB -1.304 16.933 19.000 -1.272 0.000 0.822 187 A HN 0.691 nan 8.150 nan 0.000 0.444 188 W N 0.864 122.014 121.300 -0.250 0.000 2.358 188 W HA -0.135 4.525 4.660 0.000 0.000 0.303 188 W C 2.300 178.724 176.519 -0.159 0.000 1.208 188 W CA 1.562 58.858 57.345 -0.082 0.000 1.274 188 W CB -0.731 28.696 29.460 -0.055 0.000 1.138 188 W HN 0.365 nan 8.180 nan 0.000 0.515 189 R N 0.316 120.730 120.500 -0.142 0.000 2.127 189 R HA -0.170 4.170 4.340 0.000 0.000 0.238 189 R C 1.271 177.438 176.300 -0.223 0.000 1.134 189 R CA 1.783 57.675 56.100 -0.347 0.000 0.975 189 R CB -0.457 29.516 30.300 -0.545 0.000 0.865 189 R HN 0.047 nan 8.270 nan 0.000 0.447 190 N N -0.052 118.534 118.700 -0.190 0.000 2.314 190 N HA 0.078 4.818 4.740 0.000 0.000 0.200 190 N C -0.915 174.508 175.510 -0.144 0.000 1.135 190 N CA 0.373 53.340 53.050 -0.139 0.000 0.835 190 N CB 1.161 39.606 38.487 -0.071 0.000 0.989 190 N HN 0.140 nan 8.380 nan 0.000 0.478 191 A N 2.133 124.864 122.820 -0.148 0.000 2.415 191 A HA 0.283 4.603 4.320 0.000 0.000 0.309 191 A C -1.140 176.389 177.584 -0.092 0.000 1.356 191 A CA -1.133 50.784 52.037 -0.200 0.000 0.998 191 A CB 0.556 19.505 19.000 -0.084 0.000 1.145 191 A HN -0.016 nan 8.150 nan 0.000 0.545 192 P HA -0.101 nan 4.420 nan 0.000 0.230 192 P C 0.777 178.049 177.300 -0.046 0.000 1.158 192 P CA 0.897 63.964 63.100 -0.055 0.000 0.769 192 P CB 0.242 31.907 31.700 -0.059 0.000 0.807 193 R N -1.559 118.882 120.500 -0.100 0.000 2.362 193 R HA 0.160 4.500 4.340 0.000 0.000 0.227 193 R C 0.570 176.909 176.300 0.065 0.000 0.905 193 R CA -0.173 55.901 56.100 -0.042 0.000 1.067 193 R CB -0.108 29.965 30.300 -0.377 0.000 1.078 193 R HN 0.153 nan 8.270 nan 0.000 0.516 194 C N 0.591 119.901 119.300 0.017 0.000 2.330 194 C HA 0.352 4.812 4.460 0.000 0.000 0.344 194 C C 1.655 176.642 174.990 -0.005 0.000 1.273 194 C CA -0.700 58.355 59.018 0.061 0.000 1.879 194 C CB -0.163 27.667 27.740 0.151 0.000 2.376 194 C HN 0.543 nan 8.230 nan 0.000 0.534 195 I N 3.977 124.524 120.570 -0.040 0.000 3.860 195 I HA 0.213 4.383 4.170 0.000 0.000 0.319 195 I C 1.857 178.057 176.117 0.138 0.000 1.279 195 I CA 0.805 62.031 61.300 -0.123 0.000 1.220 195 I CB 0.101 38.006 38.000 -0.157 0.000 1.027 195 I HN 0.934 nan 8.210 nan 0.000 0.428 196 G N 0.032 108.915 108.800 0.139 0.000 3.141 196 G HA2 -0.033 3.927 3.960 0.000 0.000 0.218 196 G HA3 -0.033 3.927 3.960 0.000 0.000 0.218 196 G C 1.270 176.223 174.900 0.088 0.000 1.170 196 G CA -0.307 44.873 45.100 0.133 0.000 0.769 196 G HN 0.252 nan 8.290 nan 0.000 0.546 197 R N -0.186 120.304 120.500 -0.018 0.000 2.355 197 R HA 0.057 4.397 4.340 0.000 0.000 0.219 197 R C 1.986 177.758 176.300 -0.881 0.000 1.107 197 R CA 0.341 56.094 56.100 -0.578 0.000 1.021 197 R CB -0.265 29.721 30.300 -0.524 0.000 0.852 197 R HN 0.453 nan 8.270 nan 0.000 0.475 198 I N 0.341 120.623 120.570 -0.479 0.000 2.830 198 I HA -0.193 3.977 4.170 0.000 0.000 0.263 198 I C 1.199 177.205 176.117 -0.186 0.000 1.230 198 I CA 1.025 62.190 61.300 -0.225 0.000 1.480 198 I CB 0.184 38.189 38.000 0.008 0.000 1.095 198 I HN 0.188 nan 8.210 nan 0.000 0.455 199 Q N 0.600 120.222 119.800 -0.296 0.000 2.365 199 Q HA -0.086 4.254 4.340 0.000 0.000 0.203 199 Q C 1.546 177.107 176.000 -0.731 0.000 0.929 199 Q CA 0.213 55.838 55.803 -0.297 0.000 0.948 199 Q CB -0.144 28.576 28.738 -0.030 0.000 1.043 199 Q HN 0.764 nan 8.270 nan 0.000 0.505 200 W N 0.987 121.568 121.300 -1.197 0.000 2.313 200 W HA -0.221 4.439 4.660 0.000 0.000 0.293 200 W C 1.214 177.418 176.519 -0.525 0.000 1.216 200 W CA 1.573 58.091 57.345 -1.378 0.000 1.223 200 W CB -1.215 27.617 29.460 -1.047 0.000 1.138 200 W HN 0.181 nan 8.180 nan 0.000 0.535 201 S N 0.412 115.231 115.700 -1.468 0.000 2.558 201 S HA 0.015 4.485 4.470 0.000 0.000 0.217 201 S C 0.219 174.541 174.600 -0.463 0.000 0.975 201 S CA 0.018 57.522 58.200 -1.159 0.000 0.912 201 S CB -1.035 61.345 63.200 -1.367 0.000 0.776 201 S HN 0.370 nan 8.310 nan 0.000 0.526 202 N N 1.407 119.946 118.700 -0.268 0.000 2.955 202 N HA 0.558 5.298 4.740 0.000 0.000 0.242 202 N C -1.539 174.042 175.510 0.118 0.000 1.123 202 N CA -0.380 52.642 53.050 -0.045 0.000 0.949 202 N CB 1.178 39.672 38.487 0.013 0.000 1.214 202 N HN 0.232 nan 8.380 nan 0.000 0.504 203 L N 1.587 122.858 121.223 0.079 0.000 2.476 203 L HA 0.341 4.681 4.340 0.000 0.000 0.269 203 L C -1.125 175.718 176.870 -0.046 0.000 0.965 203 L CA -0.701 54.190 54.840 0.084 0.000 0.845 203 L CB 1.911 44.082 42.059 0.187 0.000 1.259 203 L HN 0.243 nan 8.230 nan 0.000 0.403 204 Q N 3.076 122.806 119.800 -0.118 0.000 2.286 204 Q HA 0.599 4.939 4.340 0.000 0.000 0.257 204 Q C -1.635 174.047 176.000 -0.530 0.000 0.941 204 Q CA -0.117 55.469 55.803 -0.360 0.000 0.912 204 Q CB 1.494 29.913 28.738 -0.531 0.000 1.192 204 Q HN 0.528 nan 8.270 nan 0.000 0.410 205 V N 5.779 125.367 119.914 -0.544 0.000 2.384 205 V HA 0.429 4.549 4.120 0.000 0.000 0.287 205 V C -0.926 174.833 176.094 -0.559 0.000 1.020 205 V CA -0.606 61.410 62.300 -0.473 0.000 0.850 205 V CB 0.796 32.468 31.823 -0.253 0.000 0.987 205 V HN 0.661 nan 8.190 nan 0.000 0.436 206 F N 2.646 122.443 119.950 -0.256 0.000 2.361 206 F HA 0.370 4.897 4.527 0.000 0.000 0.364 206 F C 0.512 176.101 175.800 -0.351 0.000 1.120 206 F CA -1.311 56.519 58.000 -0.282 0.000 1.102 206 F CB 0.970 39.796 39.000 -0.290 0.000 1.183 206 F HN 0.431 nan 8.300 nan 0.000 0.476 207 D N 3.374 123.717 120.400 -0.095 0.000 2.374 207 D HA 0.351 4.991 4.640 0.000 0.000 0.240 207 D C 0.205 176.339 176.300 -0.278 0.000 1.229 207 D CA 0.208 54.096 54.000 -0.186 0.000 0.895 207 D CB 0.854 41.590 40.800 -0.108 0.000 1.046 207 D HN 0.597 nan 8.370 nan 0.000 0.498 208 A N 4.534 127.059 122.820 -0.492 0.000 2.701 208 A HA 0.168 4.488 4.320 0.000 0.000 0.297 208 A C 1.619 178.981 177.584 -0.371 0.000 1.197 208 A CA -0.420 51.196 52.037 -0.702 0.000 0.963 208 A CB 0.064 18.165 19.000 -1.498 0.000 1.175 208 A HN 0.510 nan 8.150 nan 0.000 0.531 209 R N 0.437 120.804 120.500 -0.221 0.000 2.285 209 R HA -0.118 4.222 4.340 0.000 0.000 0.213 209 R C 0.951 177.196 176.300 -0.092 0.000 1.068 209 R CA 1.478 57.507 56.100 -0.119 0.000 1.004 209 R CB -0.141 30.138 30.300 -0.036 0.000 0.873 209 R HN 0.809 nan 8.270 nan 0.000 0.467 210 N N -0.952 117.714 118.700 -0.057 0.000 2.336 210 N HA -0.017 4.723 4.740 0.000 0.000 0.189 210 N C 0.200 175.746 175.510 0.061 0.000 1.113 210 N CA -0.253 52.801 53.050 0.007 0.000 0.858 210 N CB 0.118 38.623 38.487 0.030 0.000 0.970 210 N HN 0.011 nan 8.380 nan 0.000 0.471 211 C N 0.804 120.138 119.300 0.057 0.000 2.676 211 C HA 0.417 4.877 4.460 0.000 0.000 0.416 211 C C 1.639 176.784 174.990 0.259 0.000 1.299 211 C CA 0.308 59.452 59.018 0.209 0.000 2.048 211 C CB 0.096 28.050 27.740 0.357 0.000 2.713 211 C HN 0.668 nan 8.230 nan 0.000 0.624 212 S N 1.729 117.648 115.700 0.365 0.000 2.653 212 S HA 0.206 4.676 4.470 0.000 0.000 0.259 212 S C 0.284 175.074 174.600 0.317 0.000 1.076 212 S CA 0.408 58.862 58.200 0.424 0.000 1.051 212 S CB -0.181 63.165 63.200 0.244 0.000 0.994 212 S HN 1.026 nan 8.310 nan 0.000 0.552 213 T N -1.202 113.502 114.554 0.251 0.000 2.930 213 T HA 0.850 5.200 4.350 0.000 0.000 0.290 213 T C 1.232 176.012 174.700 0.134 0.000 1.052 213 T CA -0.226 61.958 62.100 0.140 0.000 1.017 213 T CB 1.529 70.462 68.868 0.110 0.000 1.137 213 T HN 0.199 nan 8.240 nan 0.000 0.511 214 A N 0.464 123.340 122.820 0.094 0.000 1.902 214 A HA -0.088 4.232 4.320 0.000 0.000 0.217 214 A C 2.309 179.902 177.584 0.014 0.000 1.181 214 A CA 2.025 54.139 52.037 0.129 0.000 0.623 214 A CB -1.214 17.955 19.000 0.281 0.000 0.818 214 A HN 0.868 nan 8.150 nan 0.000 0.443 215 Q N -0.007 119.807 119.800 0.022 0.000 2.124 215 Q HA -0.169 4.171 4.340 0.000 0.000 0.202 215 Q C 1.806 177.765 176.000 -0.068 0.000 0.977 215 Q CA 2.117 57.839 55.803 -0.134 0.000 0.850 215 Q CB -0.268 28.491 28.738 0.034 0.000 0.901 215 Q HN 0.779 nan 8.270 nan 0.000 0.429 216 E N -0.876 119.344 120.200 0.033 0.000 2.152 216 E HA -0.121 4.229 4.350 0.000 0.000 0.192 216 E C 1.956 178.673 176.600 0.195 0.000 0.983 216 E CA 0.945 57.385 56.400 0.067 0.000 0.818 216 E CB -0.057 29.735 29.700 0.153 0.000 0.758 216 E HN 0.451 nan 8.360 nan 0.000 0.467 217 M N 0.073 119.805 119.600 0.220 0.000 2.086 217 M HA -0.147 4.333 4.480 0.000 0.000 0.261 217 M C 2.240 178.692 176.300 0.254 0.000 1.067 217 M CA 1.213 56.665 55.300 0.254 0.000 1.116 217 M CB -0.338 32.199 32.600 -0.105 0.000 1.348 217 M HN 0.132 nan 8.290 nan 0.000 0.407 218 F N 1.683 121.540 119.950 -0.156 0.000 2.120 218 F HA -0.278 4.249 4.527 0.000 0.000 0.300 218 F C 2.257 177.978 175.800 -0.132 0.000 1.095 218 F CA 1.845 59.689 58.000 -0.259 0.000 1.249 218 F CB -0.694 37.828 39.000 -0.797 0.000 0.995 218 F HN 0.208 nan 8.300 nan 0.000 0.480 219 Q N -1.214 118.406 119.800 -0.300 0.000 2.079 219 Q HA -0.206 4.134 4.340 0.000 0.000 0.200 219 Q C 2.255 178.091 176.000 -0.273 0.000 0.974 219 Q CA 1.583 57.144 55.803 -0.404 0.000 0.840 219 Q CB -0.451 28.084 28.738 -0.339 0.000 0.898 219 Q HN 0.498 nan 8.270 nan 0.000 0.430 220 H N 0.348 119.387 119.070 -0.051 0.000 2.353 220 H HA -0.080 4.476 4.556 0.000 0.000 0.300 220 H C 2.139 177.451 175.328 -0.027 0.000 1.090 220 H CA 1.241 57.259 56.048 -0.050 0.000 1.327 220 H CB -0.093 29.705 29.762 0.060 0.000 1.383 220 H HN 0.253 nan 8.280 nan 0.000 0.508 221 I N -0.131 120.577 120.570 0.229 0.000 2.286 221 I HA -0.290 3.880 4.170 0.000 0.000 0.248 221 I C 2.635 178.805 176.117 0.089 0.000 1.115 221 I CA 0.753 62.183 61.300 0.216 0.000 1.392 221 I CB -0.227 37.938 38.000 0.275 0.000 1.065 221 I HN 0.221 nan 8.210 nan 0.000 0.418 222 C N 0.237 119.481 119.300 -0.095 0.000 2.446 222 C HA -0.142 4.318 4.460 0.000 0.000 0.277 222 C C 2.968 177.898 174.990 -0.099 0.000 1.275 222 C CA 0.839 59.764 59.018 -0.156 0.000 1.727 222 C CB -1.135 26.382 27.740 -0.370 0.000 2.010 222 C HN 0.482 nan 8.230 nan 0.000 0.486 223 R N -0.069 120.350 120.500 -0.135 0.000 2.120 223 R HA -0.152 4.188 4.340 0.000 0.000 0.234 223 R C 2.277 178.511 176.300 -0.109 0.000 1.123 223 R CA 1.467 57.463 56.100 -0.173 0.000 0.975 223 R CB -0.667 29.446 30.300 -0.312 0.000 0.866 223 R HN 0.737 nan 8.270 nan 0.000 0.446 224 H N 0.290 119.273 119.070 -0.146 0.000 2.276 224 H HA -0.080 4.476 4.556 0.000 0.000 0.301 224 H C 2.126 177.546 175.328 0.153 0.000 1.073 224 H CA 1.980 58.057 56.048 0.048 0.000 1.311 224 H CB -0.010 29.812 29.762 0.099 0.000 1.379 224 H HN 0.188 nan 8.280 nan 0.000 0.494 225 I N 0.628 121.207 120.570 0.016 0.000 2.151 225 I HA -0.313 3.857 4.170 0.000 0.000 0.243 225 I C 2.751 178.860 176.117 -0.012 0.000 1.080 225 I CA 0.960 62.232 61.300 -0.046 0.000 1.339 225 I CB -0.281 37.719 38.000 0.000 0.000 1.039 225 I HN 0.255 nan 8.210 nan 0.000 0.409 226 L N 0.195 121.425 121.223 0.012 0.000 2.012 226 L HA -0.289 4.051 4.340 0.000 0.000 0.210 226 L C 2.507 179.405 176.870 0.047 0.000 1.073 226 L CA 1.992 56.842 54.840 0.017 0.000 0.748 226 L CB -0.984 41.076 42.059 0.002 0.000 0.891 226 L HN 0.287 nan 8.230 nan 0.000 0.431 227 Y N 0.067 120.376 120.300 0.015 0.000 2.145 227 Y HA -0.196 4.354 4.550 0.000 0.000 0.286 227 Y C 2.366 178.318 175.900 0.085 0.000 1.145 227 Y CA 2.037 60.197 58.100 0.099 0.000 1.148 227 Y CB -0.650 37.974 38.460 0.274 0.000 0.981 227 Y HN 0.246 nan 8.280 nan 0.000 0.507 228 A N -0.470 122.430 122.820 0.133 0.000 1.902 228 A HA -0.192 4.128 4.320 0.000 0.000 0.217 228 A C 2.215 179.767 177.584 -0.054 0.000 1.181 228 A CA 2.363 54.410 52.037 0.017 0.000 0.623 228 A CB -1.398 17.549 19.000 -0.089 0.000 0.818 228 A HN 0.536 nan 8.150 nan 0.000 0.443 229 T N -0.140 114.390 114.554 -0.039 0.000 2.708 229 T HA -0.151 4.199 4.350 0.000 0.000 0.266 229 T C 1.187 175.860 174.700 -0.045 0.000 1.037 229 T CA 1.400 63.493 62.100 -0.012 0.000 1.146 229 T CB -0.449 68.420 68.868 0.000 0.000 0.865 229 T HN 0.626 nan 8.240 nan 0.000 0.435 230 N N 1.820 120.461 118.700 -0.098 0.000 2.701 230 N HA -0.268 4.472 4.740 0.000 0.000 0.250 230 N C -0.071 175.401 175.510 -0.063 0.000 1.046 230 N CA 0.909 53.889 53.050 -0.116 0.000 0.733 230 N CB -2.159 36.219 38.487 -0.181 0.000 0.973 230 N HN 0.681 nan 8.380 nan 0.000 0.541 231 N N -1.564 117.112 118.700 -0.040 0.000 2.727 231 N HA -0.225 4.515 4.740 0.000 0.000 0.251 231 N C 0.944 176.437 175.510 -0.028 0.000 1.040 231 N CA 1.271 54.303 53.050 -0.029 0.000 0.712 231 N CB -1.271 37.197 38.487 -0.031 0.000 0.912 231 N HN 1.023 nan 8.380 nan 0.000 0.545 232 G N 0.808 109.600 108.800 -0.013 0.000 2.320 232 G HA2 -0.364 3.596 3.960 0.000 0.000 0.242 232 G HA3 -0.364 3.596 3.960 0.000 0.000 0.242 232 G C 0.106 175.005 174.900 -0.001 0.000 1.033 232 G CA 0.466 45.565 45.100 -0.001 0.000 0.620 232 G HN 0.663 nan 8.290 nan 0.000 0.517 233 N N 1.790 120.472 118.700 -0.030 0.000 3.254 233 N HA 0.280 5.020 4.740 0.000 0.000 0.308 233 N C 0.790 176.282 175.510 -0.031 0.000 1.281 233 N CA -0.697 52.323 53.050 -0.051 0.000 1.212 233 N CB -0.309 38.141 38.487 -0.062 0.000 1.478 233 N HN 0.297 nan 8.380 nan 0.000 0.548 234 I N 1.714 122.300 120.570 0.028 0.000 3.163 234 I HA -0.211 3.959 4.170 0.000 0.000 0.332 234 I C 0.690 176.928 176.117 0.201 0.000 1.205 234 I CA 1.290 62.667 61.300 0.129 0.000 1.473 234 I CB -0.341 37.826 38.000 0.278 0.000 1.300 234 I HN 0.372 nan 8.210 nan 0.000 0.532 235 R N 3.945 124.536 120.500 0.152 0.000 2.561 235 R HA 0.390 4.730 4.340 0.000 0.000 0.297 235 R C -0.405 176.028 176.300 0.221 0.000 0.969 235 R CA -0.684 55.531 56.100 0.192 0.000 0.879 235 R CB 1.927 32.222 30.300 -0.008 0.000 1.178 235 R HN 0.557 nan 8.270 nan 0.000 0.445 236 S N 1.512 117.328 115.700 0.194 0.000 2.533 236 S HA 0.482 4.952 4.470 0.000 0.000 0.282 236 S C -0.330 174.322 174.600 0.087 0.000 1.304 236 S CA -0.202 58.011 58.200 0.021 0.000 1.063 236 S CB 1.179 64.303 63.200 -0.126 0.000 0.881 236 S HN 0.690 nan 8.310 nan 0.000 0.493 237 A N 2.982 125.854 122.820 0.087 0.000 2.610 237 A HA 0.838 5.158 4.320 0.000 0.000 0.291 237 A C -1.282 176.428 177.584 0.211 0.000 1.086 237 A CA -0.663 51.450 52.037 0.127 0.000 0.677 237 A CB 1.204 20.395 19.000 0.317 0.000 1.278 237 A HN 0.792 nan 8.150 nan 0.000 0.414 238 I N 0.206 120.753 120.570 -0.038 0.000 2.722 238 I HA 0.640 4.810 4.170 0.000 0.000 0.295 238 I C -1.261 174.669 176.117 -0.312 0.000 1.161 238 I CA -0.196 61.013 61.300 -0.151 0.000 1.032 238 I CB 2.467 40.397 38.000 -0.117 0.000 1.244 238 I HN 0.591 nan 8.210 nan 0.000 0.421 239 T N 6.141 120.439 114.554 -0.427 0.000 2.791 239 T HA 0.400 4.750 4.350 0.000 0.000 0.288 239 T C -0.681 173.729 174.700 -0.483 0.000 0.999 239 T CA -0.318 61.514 62.100 -0.447 0.000 0.952 239 T CB 1.331 69.863 68.868 -0.561 0.000 0.938 239 T HN 0.261 nan 8.240 nan 0.000 0.444 240 V N 5.349 124.977 119.914 -0.478 0.000 2.385 240 V HA 0.435 4.555 4.120 0.000 0.000 0.269 240 V C -0.213 175.593 176.094 -0.480 0.000 1.043 240 V CA -0.623 61.429 62.300 -0.412 0.000 0.906 240 V CB -0.232 31.318 31.823 -0.455 0.000 0.995 240 V HN 0.692 nan 8.190 nan 0.000 0.467 241 F N 5.488 125.371 119.950 -0.113 0.000 2.375 241 F HA 0.498 5.025 4.527 0.000 0.000 0.317 241 F C -1.815 173.895 175.800 -0.150 0.000 1.124 241 F CA -2.410 55.472 58.000 -0.197 0.000 1.050 241 F CB 0.329 39.235 39.000 -0.156 0.000 1.314 241 F HN 0.297 nan 8.300 nan 0.000 0.511 242 P HA -0.014 nan 4.420 nan 0.000 0.264 242 P C -1.090 176.177 177.300 -0.055 0.000 1.183 242 P CA -0.072 62.896 63.100 -0.221 0.000 0.763 242 P CB 0.164 31.523 31.700 -0.569 0.000 0.807 243 Q N 3.269 122.989 119.800 -0.133 0.000 2.421 243 Q HA 0.079 4.419 4.340 0.000 0.000 0.255 243 Q C 0.148 176.025 176.000 -0.206 0.000 1.013 243 Q CA -0.526 54.989 55.803 -0.479 0.000 0.895 243 Q CB 0.688 28.860 28.738 -0.944 0.000 1.271 243 Q HN 0.340 nan 8.270 nan 0.000 0.460 244 R N 1.529 121.917 120.500 -0.186 0.000 2.484 244 R HA -0.012 4.328 4.340 0.000 0.000 0.293 244 R C 0.247 176.511 176.300 -0.059 0.000 1.023 244 R CA 0.729 56.801 56.100 -0.045 0.000 1.037 244 R CB 0.515 30.792 30.300 -0.037 0.000 0.951 244 R HN 0.936 nan 8.270 nan 0.000 0.418 245 S N 2.944 118.652 115.700 0.013 0.000 2.339 245 S HA -0.077 4.393 4.470 0.000 0.000 0.189 245 S C 1.020 175.633 174.600 0.021 0.000 0.966 245 S CA 0.486 58.686 58.200 -0.001 0.000 0.925 245 S CB -0.129 63.070 63.200 -0.002 0.000 0.890 245 S HN 0.837 nan 8.310 nan 0.000 0.539 246 D N -0.150 120.291 120.400 0.069 0.000 2.366 246 D HA 0.285 4.926 4.640 0.000 0.000 0.205 246 D C 1.490 177.838 176.300 0.080 0.000 1.022 246 D CA 0.952 54.998 54.000 0.078 0.000 0.868 246 D CB -0.074 40.796 40.800 0.115 0.000 0.953 246 D HN 0.816 nan 8.370 nan 0.000 0.514 247 G N 1.086 109.943 108.800 0.095 0.000 2.232 247 G HA2 -0.285 3.675 3.960 0.000 0.000 0.226 247 G HA3 -0.285 3.675 3.960 0.000 0.000 0.226 247 G C 0.958 175.893 174.900 0.058 0.000 0.996 247 G CA 0.215 45.353 45.100 0.063 0.000 0.626 247 G HN 0.430 nan 8.290 nan 0.000 0.509 248 K N -0.003 120.441 120.400 0.073 0.000 2.387 248 K HA 0.322 4.642 4.320 0.000 0.000 0.198 248 K C 0.493 176.947 176.600 -0.244 0.000 1.022 248 K CA 0.299 56.546 56.287 -0.066 0.000 1.128 248 K CB 0.290 32.728 32.500 -0.104 0.000 0.853 248 K HN 0.502 nan 8.250 nan 0.000 0.523 249 H N 0.587 119.675 119.070 0.030 0.000 2.549 249 H HA 0.175 4.731 4.556 0.000 0.000 0.253 249 H C -0.987 174.379 175.328 0.064 0.000 1.170 249 H CA -0.703 55.362 56.048 0.028 0.000 0.943 249 H CB 0.278 30.073 29.762 0.055 0.000 1.849 249 H HN 0.037 nan 8.280 nan 0.000 0.603 250 D N 0.422 120.895 120.400 0.121 0.000 2.382 250 D HA 0.038 4.678 4.640 0.000 0.000 0.245 250 D C -0.094 176.269 176.300 0.105 0.000 1.120 250 D CA 0.242 54.340 54.000 0.164 0.000 0.890 250 D CB 0.656 41.520 40.800 0.107 0.000 1.201 250 D HN 0.114 nan 8.370 nan 0.000 0.433 251 F N 2.275 122.259 119.950 0.056 0.000 2.411 251 F HA 0.368 4.895 4.527 0.000 0.000 0.350 251 F C 0.948 176.764 175.800 0.027 0.000 1.114 251 F CA -0.271 57.736 58.000 0.012 0.000 1.135 251 F CB 0.798 39.793 39.000 -0.009 0.000 1.120 251 F HN -0.151 nan 8.300 nan 0.000 0.495 252 R N 3.561 124.151 120.500 0.150 0.000 2.651 252 R HA 0.496 4.836 4.340 0.000 0.000 0.278 252 R C -1.772 174.675 176.300 0.244 0.000 1.010 252 R CA -1.119 55.087 56.100 0.176 0.000 0.896 252 R CB 2.258 32.648 30.300 0.150 0.000 1.211 252 R HN 0.474 nan 8.270 nan 0.000 0.456 253 L N 1.940 123.288 121.223 0.208 0.000 2.272 253 L HA 0.349 4.689 4.340 0.000 0.000 0.289 253 L C 0.617 177.689 176.870 0.337 0.000 1.032 253 L CA -0.112 54.872 54.840 0.239 0.000 0.810 253 L CB 0.748 42.886 42.059 0.132 0.000 1.205 253 L HN 0.581 nan 8.230 nan 0.000 0.422 254 W N 0.798 122.157 121.300 0.099 0.000 2.800 254 W HA 0.050 4.710 4.660 0.000 0.000 0.249 254 W C 0.637 177.218 176.519 0.102 0.000 1.294 254 W CA -0.505 56.984 57.345 0.239 0.000 1.402 254 W CB -0.988 28.730 29.460 0.431 0.000 1.126 254 W HN 0.491 nan 8.180 nan 0.000 0.652 255 N N -0.638 118.131 118.700 0.114 0.000 2.467 255 N HA 0.078 4.818 4.740 0.000 0.000 0.262 255 N C 1.164 176.519 175.510 -0.257 0.000 1.234 255 N CA 0.368 53.219 53.050 -0.331 0.000 0.952 255 N CB 0.860 39.279 38.487 -0.113 0.000 1.158 255 N HN -0.299 nan 8.380 nan 0.000 0.463 256 S N -0.012 115.486 115.700 -0.337 0.000 2.345 256 S HA -0.068 4.402 4.470 0.000 0.000 0.219 256 S C 0.231 174.748 174.600 -0.139 0.000 1.031 256 S CA 1.004 59.097 58.200 -0.178 0.000 0.984 256 S CB -0.149 62.972 63.200 -0.133 0.000 0.874 256 S HN 0.647 nan 8.310 nan 0.000 0.451 257 Q N -0.505 119.210 119.800 -0.143 0.000 2.451 257 Q HA 0.489 4.829 4.340 0.000 0.000 0.281 257 Q C -0.038 175.879 176.000 -0.139 0.000 1.099 257 Q CA -0.912 54.814 55.803 -0.129 0.000 0.806 257 Q CB 1.002 29.699 28.738 -0.068 0.000 1.419 257 Q HN -0.097 nan 8.270 nan 0.000 0.427 258 L N 0.585 121.742 121.223 -0.111 0.000 1.978 258 L HA -0.086 4.254 4.340 0.000 0.000 0.218 258 L C 0.677 177.451 176.870 -0.159 0.000 1.075 258 L CA 1.913 56.710 54.840 -0.071 0.000 0.767 258 L CB -0.304 41.750 42.059 -0.008 0.000 0.890 258 L HN 0.622 nan 8.230 nan 0.000 0.434 259 I N -1.231 119.149 120.570 -0.317 0.000 2.362 259 I HA 0.411 4.581 4.170 0.000 0.000 0.289 259 I C -0.028 175.469 176.117 -1.034 0.000 0.994 259 I CA -0.256 60.679 61.300 -0.608 0.000 1.158 259 I CB 1.544 39.140 38.000 -0.674 0.000 1.315 259 I HN 0.026 nan 8.210 nan 0.000 0.451 260 R N 4.385 124.415 120.500 -0.783 0.000 2.680 260 R HA 0.520 4.860 4.340 0.000 0.000 0.269 260 R C -1.874 174.204 176.300 -0.371 0.000 1.026 260 R CA -0.713 55.030 56.100 -0.596 0.000 0.889 260 R CB 1.152 31.314 30.300 -0.230 0.000 1.241 260 R HN 0.283 nan 8.270 nan 0.000 0.463 261 Y N 0.903 121.206 120.300 0.005 0.000 2.335 261 Y HA 0.656 5.206 4.550 0.000 0.000 0.323 261 Y C 0.741 176.642 175.900 0.001 0.000 1.224 261 Y CA -0.492 57.640 58.100 0.053 0.000 1.241 261 Y CB 1.451 40.017 38.460 0.176 0.000 1.235 261 Y HN 0.727 nan 8.280 nan 0.000 0.492 262 A N 0.880 123.776 122.820 0.126 0.000 2.304 262 A HA 0.707 5.027 4.320 0.000 0.000 0.271 262 A C 0.303 177.684 177.584 -0.339 0.000 1.091 262 A CA 0.115 52.045 52.037 -0.178 0.000 0.812 262 A CB -0.025 18.809 19.000 -0.276 0.000 1.056 262 A HN 0.910 nan 8.150 nan 0.000 0.489 263 G N 0.088 108.605 108.800 -0.472 0.000 2.683 263 G HA2 0.579 4.539 3.960 0.000 0.000 0.299 263 G HA3 0.579 4.539 3.960 0.000 0.000 0.299 263 G C -1.304 173.354 174.900 -0.403 0.000 1.432 263 G CA -0.263 44.617 45.100 -0.366 0.000 0.978 263 G HN 0.527 nan 8.290 nan 0.000 0.513 264 Y N 0.221 120.544 120.300 0.038 0.000 2.429 264 Y HA 0.515 5.066 4.550 0.000 0.000 0.342 264 Y C 0.440 176.388 175.900 0.081 0.000 1.004 264 Y CA -1.082 57.062 58.100 0.074 0.000 1.075 264 Y CB 2.496 41.039 38.460 0.138 0.000 1.214 264 Y HN 0.488 nan 8.280 nan 0.000 0.455 265 Q N 3.834 123.776 119.800 0.238 0.000 2.490 265 Q HA 0.337 4.677 4.340 0.000 0.000 0.226 265 Q C -0.741 175.350 176.000 0.153 0.000 1.132 265 Q CA -0.235 55.656 55.803 0.147 0.000 0.928 265 Q CB 0.334 29.129 28.738 0.096 0.000 1.299 265 Q HN 0.678 nan 8.270 nan 0.000 0.528 266 M N 4.243 123.924 119.600 0.136 0.000 2.219 266 M HA 0.070 4.550 4.480 0.000 0.000 0.307 266 M C -1.163 175.151 176.300 0.023 0.000 1.116 266 M CA -1.296 54.049 55.300 0.075 0.000 1.181 266 M CB 0.251 32.885 32.600 0.056 0.000 1.410 266 M HN 0.505 nan 8.290 nan 0.000 0.454 267 P HA -0.182 nan 4.420 nan 0.000 0.219 267 P C 0.208 177.496 177.300 -0.019 0.000 1.146 267 P CA 1.495 64.575 63.100 -0.032 0.000 0.808 267 P CB -0.260 31.398 31.700 -0.070 0.000 0.779 268 D N -1.558 118.834 120.400 -0.013 0.000 2.370 268 D HA 0.113 4.754 4.640 0.000 0.000 0.230 268 D C 1.338 177.641 176.300 0.004 0.000 1.143 268 D CA 0.326 54.322 54.000 -0.007 0.000 0.834 268 D CB -0.394 40.400 40.800 -0.010 0.000 0.944 268 D HN 0.228 nan 8.370 nan 0.000 0.504 269 G N 1.168 109.974 108.800 0.010 0.000 2.347 269 G HA2 -0.384 3.576 3.960 0.000 0.000 0.247 269 G HA3 -0.384 3.576 3.960 0.000 0.000 0.247 269 G C 0.833 175.747 174.900 0.024 0.000 1.037 269 G CA 0.840 45.950 45.100 0.017 0.000 0.622 269 G HN 0.697 nan 8.290 nan 0.000 0.521 270 T N -0.648 113.921 114.554 0.025 0.000 2.750 270 T HA 0.617 4.967 4.350 0.000 0.000 0.351 270 T C 0.526 175.251 174.700 0.042 0.000 1.082 270 T CA 0.449 62.567 62.100 0.029 0.000 1.022 270 T CB 1.064 69.948 68.868 0.028 0.000 1.249 270 T HN 0.867 nan 8.240 nan 0.000 0.520 271 I N 0.017 120.610 120.570 0.039 0.000 2.571 271 I HA 0.422 4.592 4.170 0.000 0.000 0.289 271 I C -0.093 176.046 176.117 0.038 0.000 1.115 271 I CA -0.884 60.443 61.300 0.045 0.000 1.045 271 I CB 2.340 40.346 38.000 0.011 0.000 1.238 271 I HN 0.544 nan 8.210 nan 0.000 0.424 272 R N 3.034 123.594 120.500 0.099 0.000 2.604 272 R HA 0.761 5.101 4.340 0.000 0.000 0.287 272 R C 0.465 176.779 176.300 0.024 0.000 0.970 272 R CA 0.171 56.330 56.100 0.099 0.000 0.946 272 R CB 1.939 32.367 30.300 0.214 0.000 1.127 272 R HN 0.937 nan 8.270 nan 0.000 0.473 273 G N 1.901 110.648 108.800 -0.088 0.000 2.498 273 G HA2 -0.273 3.687 3.960 0.000 0.000 0.245 273 G HA3 -0.273 3.687 3.960 0.000 0.000 0.245 273 G C -0.912 173.650 174.900 -0.563 0.000 1.204 273 G CA -0.064 44.924 45.100 -0.187 0.000 0.933 273 G HN 0.592 nan 8.290 nan 0.000 0.574 274 D N 1.797 122.034 120.400 -0.273 0.000 2.411 274 D HA 0.611 5.251 4.640 0.000 0.000 0.225 274 D C 1.418 177.632 176.300 -0.144 0.000 1.156 274 D CA 0.721 54.582 54.000 -0.232 0.000 0.874 274 D CB 0.707 41.639 40.800 0.221 0.000 1.034 274 D HN 0.911 nan 8.370 nan 0.000 0.502 275 A N 3.456 126.167 122.820 -0.182 0.000 2.186 275 A HA -0.053 4.267 4.320 0.000 0.000 0.219 275 A C 1.938 179.510 177.584 -0.019 0.000 1.159 275 A CA 1.587 53.574 52.037 -0.084 0.000 0.680 275 A CB -0.099 18.857 19.000 -0.074 0.000 0.787 275 A HN 0.576 nan 8.150 nan 0.000 0.467 276 A N -0.463 122.365 122.820 0.014 0.000 2.021 276 A HA 0.067 4.387 4.320 0.000 0.000 0.216 276 A C 1.995 179.612 177.584 0.054 0.000 1.163 276 A CA 1.693 53.761 52.037 0.051 0.000 0.676 276 A CB -0.728 18.326 19.000 0.090 0.000 0.818 276 A HN 0.727 nan 8.150 nan 0.000 0.453 277 T N -2.400 112.182 114.554 0.046 0.000 3.273 277 T HA 0.405 4.755 4.350 0.000 0.000 0.254 277 T C 1.291 176.003 174.700 0.020 0.000 1.002 277 T CA -0.118 62.017 62.100 0.058 0.000 0.913 277 T CB -0.331 68.581 68.868 0.072 0.000 1.056 277 T HN 0.235 nan 8.240 nan 0.000 0.576 278 L N 0.675 121.896 121.223 -0.003 0.000 1.948 278 L HA -0.059 4.281 4.340 0.000 0.000 0.212 278 L C 2.960 179.813 176.870 -0.029 0.000 1.074 278 L CA 2.019 56.843 54.840 -0.026 0.000 0.753 278 L CB -0.432 41.623 42.059 -0.006 0.000 0.888 278 L HN 0.407 nan 8.230 nan 0.000 0.432 279 E N -0.424 119.769 120.200 -0.012 0.000 2.097 279 E HA -0.308 4.042 4.350 0.000 0.000 0.196 279 E C 2.105 178.613 176.600 -0.153 0.000 1.000 279 E CA 1.626 57.990 56.400 -0.059 0.000 0.804 279 E CB -0.133 29.557 29.700 -0.015 0.000 0.740 279 E HN 0.379 nan 8.360 nan 0.000 0.454 280 F N 0.920 120.697 119.950 -0.288 0.000 2.259 280 F HA -0.093 4.434 4.527 0.000 0.000 0.298 280 F C 2.224 177.856 175.800 -0.280 0.000 1.088 280 F CA 1.569 59.340 58.000 -0.382 0.000 1.358 280 F CB -0.358 38.471 39.000 -0.285 0.000 1.040 280 F HN -0.053 nan 8.300 nan 0.000 0.505 281 T N -0.186 114.241 114.554 -0.212 0.000 2.746 281 T HA -0.247 4.103 4.350 0.000 0.000 0.267 281 T C 1.762 176.341 174.700 -0.202 0.000 1.039 281 T CA 1.632 63.571 62.100 -0.269 0.000 1.142 281 T CB -0.303 68.443 68.868 -0.203 0.000 0.866 281 T HN 0.282 nan 8.240 nan 0.000 0.444 282 Q N 0.712 120.421 119.800 -0.151 0.000 2.061 282 Q HA -0.087 4.253 4.340 0.000 0.000 0.204 282 Q C 2.133 178.031 176.000 -0.171 0.000 0.984 282 Q CA 1.353 57.095 55.803 -0.101 0.000 0.846 282 Q CB -0.723 27.965 28.738 -0.083 0.000 0.902 282 Q HN 0.397 nan 8.270 nan 0.000 0.421 283 L N -0.281 120.761 121.223 -0.302 0.000 2.043 283 L HA -0.221 4.119 4.340 0.000 0.000 0.212 283 L C 2.208 178.883 176.870 -0.325 0.000 1.075 283 L CA 1.881 56.525 54.840 -0.328 0.000 0.752 283 L CB -0.818 40.958 42.059 -0.472 0.000 0.891 283 L HN 0.461 nan 8.230 nan 0.000 0.432 284 C N -0.825 118.185 119.300 -0.483 0.000 2.425 284 C HA -0.122 4.338 4.460 0.000 0.000 0.277 284 C C 2.662 177.633 174.990 -0.031 0.000 1.280 284 C CA 0.300 59.084 59.018 -0.389 0.000 1.744 284 C CB -0.920 26.402 27.740 -0.697 0.000 1.989 284 C HN 0.535 nan 8.230 nan 0.000 0.491 285 I N 1.589 122.183 120.570 0.039 0.000 2.142 285 I HA -0.138 4.032 4.170 0.000 0.000 0.240 285 I C 2.002 178.126 176.117 0.011 0.000 1.078 285 I CA 1.835 63.195 61.300 0.101 0.000 1.343 285 I CB -1.624 36.423 38.000 0.079 0.000 1.046 285 I HN 0.298 nan 8.210 nan 0.000 0.405 286 D N 0.806 121.179 120.400 -0.045 0.000 2.265 286 D HA -0.122 4.518 4.640 0.000 0.000 0.208 286 D C 1.862 178.120 176.300 -0.070 0.000 0.977 286 D CA 0.845 54.803 54.000 -0.070 0.000 0.871 286 D CB -0.168 40.567 40.800 -0.108 0.000 0.925 286 D HN 0.337 nan 8.370 nan 0.000 0.485 287 L N -0.762 120.425 121.223 -0.060 0.000 2.685 287 L HA 0.285 4.625 4.340 0.000 0.000 0.233 287 L C 1.045 177.894 176.870 -0.035 0.000 1.173 287 L CA -0.060 54.749 54.840 -0.052 0.000 0.961 287 L CB -0.049 41.958 42.059 -0.085 0.000 1.217 287 L HN 0.054 nan 8.230 nan 0.000 0.478 288 G N -0.375 108.418 108.800 -0.011 0.000 2.171 288 G HA2 -0.298 3.662 3.960 0.000 0.000 0.238 288 G HA3 -0.298 3.662 3.960 0.000 0.000 0.238 288 G C -0.438 174.487 174.900 0.042 0.000 1.039 288 G CA -0.260 44.837 45.100 -0.005 0.000 0.759 288 G HN 0.407 nan 8.290 nan 0.000 0.501 289 W N 1.317 122.546 121.300 -0.119 0.000 2.376 289 W HA 0.704 5.364 4.660 0.000 0.000 0.322 289 W C 0.130 176.601 176.519 -0.080 0.000 1.160 289 W CA -1.453 55.825 57.345 -0.111 0.000 1.218 289 W CB 0.856 30.233 29.460 -0.139 0.000 1.205 289 W HN -0.040 nan 8.180 nan 0.000 0.559 290 K N 7.616 127.491 120.400 -0.875 0.000 2.262 290 K HA 0.181 4.501 4.320 0.000 0.000 0.288 290 K C -2.345 173.465 176.600 -1.317 0.000 1.090 290 K CA -1.849 53.950 56.287 -0.813 0.000 0.918 290 K CB 0.089 32.281 32.500 -0.514 0.000 1.139 290 K HN 0.321 nan 8.250 nan 0.000 0.462 291 P HA 0.164 nan 4.420 nan 0.000 0.269 291 P C -0.001 176.866 177.300 -0.722 0.000 1.252 291 P CA -0.119 62.410 63.100 -0.953 0.000 0.780 291 P CB 0.503 31.712 31.700 -0.818 0.000 0.829 292 R N 2.227 122.421 120.500 -0.511 0.000 2.313 292 R HA 0.030 4.370 4.340 0.000 0.000 0.199 292 R C 0.038 176.247 176.300 -0.152 0.000 0.958 292 R CA -0.159 55.815 56.100 -0.209 0.000 1.047 292 R CB -0.711 29.561 30.300 -0.047 0.000 0.955 292 R HN 0.434 nan 8.270 nan 0.000 0.481 293 Y N -0.621 119.330 120.300 -0.581 0.000 2.967 293 Y HA -0.306 4.244 4.550 0.000 0.000 0.208 293 Y C 0.856 176.628 175.900 -0.214 0.000 1.214 293 Y CA 0.582 58.189 58.100 -0.822 0.000 0.915 293 Y CB -1.651 36.465 38.460 -0.573 0.000 1.218 293 Y HN 0.256 nan 8.280 nan 0.000 0.472 294 G N -0.313 108.622 108.800 0.225 0.000 3.175 294 G HA2 0.636 4.596 3.960 0.000 0.000 0.255 294 G HA3 0.636 4.596 3.960 0.000 0.000 0.255 294 G C 0.488 175.538 174.900 0.251 0.000 1.352 294 G CA -0.897 44.342 45.100 0.231 0.000 1.037 294 G HN 0.214 nan 8.290 nan 0.000 0.556 295 R N -1.514 119.034 120.500 0.080 0.000 2.206 295 R HA 0.220 4.560 4.340 0.000 0.000 0.198 295 R C 0.002 175.981 176.300 -0.535 0.000 0.986 295 R CA 0.596 56.583 56.100 -0.188 0.000 1.029 295 R CB 0.240 30.350 30.300 -0.316 0.000 0.966 295 R HN 0.330 nan 8.270 nan 0.000 0.487 296 F N 1.128 121.024 119.950 -0.089 0.000 2.679 296 F HA 0.265 4.792 4.527 0.000 0.000 0.354 296 F C -0.763 174.970 175.800 -0.113 0.000 1.423 296 F CA -1.083 56.572 58.000 -0.575 0.000 1.141 296 F CB 0.632 39.185 39.000 -0.745 0.000 1.168 296 F HN -0.288 nan 8.300 nan 0.000 0.530 297 D N 1.684 122.248 120.400 0.274 0.000 2.339 297 D HA 0.156 4.796 4.640 0.000 0.000 0.241 297 D C 0.231 176.801 176.300 0.449 0.000 1.183 297 D CA 0.107 54.341 54.000 0.390 0.000 0.859 297 D CB 1.953 43.031 40.800 0.463 0.000 1.067 297 D HN -0.060 nan 8.370 nan 0.000 0.484 298 V N 4.113 124.273 119.914 0.410 0.000 2.475 298 V HA -0.070 4.050 4.120 0.000 0.000 0.292 298 V C 1.169 177.338 176.094 0.124 0.000 1.003 298 V CA -0.043 62.392 62.300 0.225 0.000 1.120 298 V CB -0.196 31.711 31.823 0.141 0.000 0.937 298 V HN 0.356 nan 8.190 nan 0.000 0.476 299 L N 8.471 129.667 121.223 -0.044 0.000 2.473 299 L HA 0.284 4.624 4.340 0.000 0.000 0.268 299 L C -1.636 175.076 176.870 -0.264 0.000 1.215 299 L CA -1.233 53.431 54.840 -0.293 0.000 0.823 299 L CB 0.630 42.565 42.059 -0.206 0.000 1.099 299 L HN 0.475 nan 8.230 nan 0.000 0.483 300 P HA 0.128 nan 4.420 nan 0.000 0.281 300 P C -0.981 176.241 177.300 -0.129 0.000 1.249 300 P CA -0.719 62.203 63.100 -0.296 0.000 0.810 300 P CB 1.209 32.602 31.700 -0.513 0.000 1.008 301 L N 2.840 124.048 121.223 -0.027 0.000 2.410 301 L HA 0.107 4.447 4.340 0.000 0.000 0.273 301 L C 0.168 177.056 176.870 0.029 0.000 1.144 301 L CA 0.015 54.894 54.840 0.065 0.000 0.863 301 L CB 0.327 42.470 42.059 0.141 0.000 1.140 301 L HN 0.121 nan 8.230 nan 0.000 0.463 302 V N 6.394 126.362 119.914 0.089 0.000 2.275 302 V HA 0.306 4.426 4.120 0.000 0.000 0.272 302 V C -0.193 175.867 176.094 -0.057 0.000 1.028 302 V CA -0.723 61.554 62.300 -0.038 0.000 0.810 302 V CB 1.147 33.001 31.823 0.051 0.000 1.043 302 V HN 0.359 nan 8.190 nan 0.000 0.453 303 L N 5.106 126.282 121.223 -0.078 0.000 2.309 303 L HA 0.594 4.934 4.340 0.000 0.000 0.282 303 L C 0.088 176.838 176.870 -0.199 0.000 1.036 303 L CA -0.210 54.602 54.840 -0.045 0.000 0.806 303 L CB 1.678 43.809 42.059 0.119 0.000 1.220 303 L HN 0.827 nan 8.230 nan 0.000 0.429 304 Q N 2.382 122.080 119.800 -0.170 0.000 2.325 304 Q HA 0.886 5.226 4.340 0.000 0.000 0.270 304 Q C -1.325 174.519 176.000 -0.260 0.000 1.020 304 Q CA -0.742 54.926 55.803 -0.226 0.000 0.785 304 Q CB 2.096 30.744 28.738 -0.151 0.000 1.259 304 Q HN 0.662 nan 8.270 nan 0.000 0.452 305 A N 2.808 125.400 122.820 -0.380 0.000 2.350 305 A HA 0.479 4.799 4.320 0.000 0.000 0.324 305 A C -0.068 177.034 177.584 -0.803 0.000 1.118 305 A CA -0.430 51.109 52.037 -0.830 0.000 0.783 305 A CB 0.925 19.617 19.000 -0.513 0.000 1.236 305 A HN 0.986 nan 8.150 nan 0.000 0.457 306 D N 0.790 120.407 120.400 -1.306 0.000 2.733 306 D HA -0.228 4.412 4.640 0.000 0.000 0.232 306 D C 1.262 177.445 176.300 -0.195 0.000 1.161 306 D CA 2.454 56.195 54.000 -0.431 0.000 0.653 306 D CB -0.881 39.846 40.800 -0.122 0.000 1.052 306 D HN 1.906 nan 8.370 nan 0.000 0.424 307 G N -0.566 108.102 108.800 -0.220 0.000 2.245 307 G HA2 -0.397 3.563 3.960 0.000 0.000 0.264 307 G HA3 -0.397 3.563 3.960 0.000 0.000 0.264 307 G C 0.468 175.322 174.900 -0.076 0.000 0.985 307 G CA 0.973 45.997 45.100 -0.126 0.000 0.625 307 G HN 0.521 nan 8.290 nan 0.000 0.536 308 Q N 1.139 120.857 119.800 -0.137 0.000 2.492 308 Q HA 0.451 4.791 4.340 0.000 0.000 0.238 308 Q C 0.349 176.277 176.000 -0.121 0.000 1.045 308 Q CA 0.106 55.837 55.803 -0.119 0.000 0.934 308 Q CB 0.322 28.984 28.738 -0.128 0.000 1.276 308 Q HN 0.408 nan 8.270 nan 0.000 0.521 309 D N 2.077 122.382 120.400 -0.159 0.000 2.449 309 D HA 0.051 4.691 4.640 0.000 0.000 0.236 309 D C -2.206 173.839 176.300 -0.425 0.000 1.149 309 D CA -0.810 53.008 54.000 -0.304 0.000 0.878 309 D CB 0.067 40.639 40.800 -0.379 0.000 1.198 309 D HN 0.263 nan 8.370 nan 0.000 0.446 310 P HA 0.053 nan 4.420 nan 0.000 0.271 310 P C -0.746 176.251 177.300 -0.505 0.000 1.220 310 P CA 0.000 62.642 63.100 -0.764 0.000 0.768 310 P CB 0.702 31.501 31.700 -1.502 0.000 0.848 311 E N 1.456 121.408 120.200 -0.413 0.000 2.175 311 E HA 0.324 4.675 4.350 0.000 0.000 0.278 311 E C -0.462 175.711 176.600 -0.712 0.000 0.969 311 E CA -1.140 54.956 56.400 -0.507 0.000 0.796 311 E CB 1.649 31.075 29.700 -0.457 0.000 1.104 311 E HN 0.209 nan 8.360 nan 0.000 0.395 312 V N 4.193 123.678 119.914 -0.716 0.000 2.461 312 V HA 0.245 4.365 4.120 0.000 0.000 0.275 312 V C -0.617 174.954 176.094 -0.872 0.000 1.047 312 V CA -0.131 61.809 62.300 -0.600 0.000 0.955 312 V CB -0.299 31.324 31.823 -0.334 0.000 0.988 312 V HN 0.491 nan 8.190 nan 0.000 0.471 313 F N 2.294 122.037 119.950 -0.345 0.000 2.518 313 F HA 0.454 4.981 4.527 0.000 0.000 0.323 313 F C 0.228 175.785 175.800 -0.405 0.000 1.129 313 F CA -0.806 56.848 58.000 -0.576 0.000 0.920 313 F CB 1.690 39.909 39.000 -1.302 0.000 1.160 313 F HN 0.458 nan 8.300 nan 0.000 0.440 314 E N 3.325 123.500 120.200 -0.043 0.000 2.313 314 E HA 0.420 4.770 4.350 0.000 0.000 0.276 314 E C -0.624 176.089 176.600 0.187 0.000 1.031 314 E CA -0.404 56.058 56.400 0.102 0.000 0.857 314 E CB 0.858 30.669 29.700 0.185 0.000 1.040 314 E HN 0.508 nan 8.360 nan 0.000 0.408 315 I N 6.119 126.814 120.570 0.209 0.000 2.441 315 I HA 0.158 4.328 4.170 0.000 0.000 0.287 315 I C -1.962 174.285 176.117 0.218 0.000 1.049 315 I CA -2.112 59.352 61.300 0.274 0.000 1.381 315 I CB 0.802 38.909 38.000 0.178 0.000 1.409 315 I HN 0.388 nan 8.210 nan 0.000 0.523 316 P HA 0.087 nan 4.420 nan 0.000 0.265 316 P C -2.026 175.335 177.300 0.101 0.000 1.222 316 P CA -0.861 62.324 63.100 0.142 0.000 0.767 316 P CB 0.212 31.973 31.700 0.101 0.000 0.801 317 P HA -0.231 nan 4.420 nan 0.000 0.217 317 P C 0.841 178.177 177.300 0.060 0.000 1.148 317 P CA 1.420 64.570 63.100 0.083 0.000 0.834 317 P CB -0.043 31.707 31.700 0.083 0.000 0.783 318 D N -1.210 119.220 120.400 0.049 0.000 2.309 318 D HA -0.094 4.546 4.640 0.000 0.000 0.212 318 D C 1.788 178.103 176.300 0.025 0.000 0.968 318 D CA 0.927 54.946 54.000 0.032 0.000 0.882 318 D CB -0.116 40.698 40.800 0.024 0.000 0.918 318 D HN 0.287 nan 8.370 nan 0.000 0.503 319 L N 0.326 121.568 121.223 0.031 0.000 2.249 319 L HA 0.022 4.362 4.340 0.000 0.000 0.207 319 L C 0.816 177.702 176.870 0.026 0.000 1.090 319 L CA 0.206 55.059 54.840 0.021 0.000 0.802 319 L CB 0.321 42.390 42.059 0.017 0.000 0.947 319 L HN -0.218 nan 8.230 nan 0.000 0.453 320 V N 2.832 122.768 119.914 0.038 0.000 2.341 320 V HA 0.029 4.149 4.120 0.000 0.000 0.248 320 V C 0.156 176.280 176.094 0.050 0.000 1.107 320 V CA -0.278 62.045 62.300 0.039 0.000 1.069 320 V CB 0.259 32.108 31.823 0.044 0.000 1.177 320 V HN 0.086 nan 8.190 nan 0.000 0.492 321 L N 5.673 126.925 121.223 0.047 0.000 2.360 321 L HA 0.425 4.765 4.340 0.000 0.000 0.276 321 L C 0.190 177.088 176.870 0.046 0.000 1.121 321 L CA 0.743 55.603 54.840 0.033 0.000 0.845 321 L CB 0.435 42.506 42.059 0.021 0.000 1.143 321 L HN 0.642 nan 8.230 nan 0.000 0.452 322 E N 3.349 123.554 120.200 0.009 0.000 2.299 322 E HA 0.603 4.953 4.350 0.000 0.000 0.265 322 E C -1.444 175.083 176.600 -0.122 0.000 0.911 322 E CA -1.083 55.312 56.400 -0.009 0.000 0.789 322 E CB 2.449 32.169 29.700 0.034 0.000 1.246 322 E HN 0.383 nan 8.360 nan 0.000 0.427 323 V N 1.693 121.492 119.914 -0.192 0.000 2.444 323 V HA 0.240 4.360 4.120 0.000 0.000 0.294 323 V C -0.081 175.929 176.094 -0.140 0.000 1.022 323 V CA -0.832 61.291 62.300 -0.295 0.000 0.850 323 V CB 1.422 32.792 31.823 -0.754 0.000 0.992 323 V HN 0.832 nan 8.190 nan 0.000 0.426 324 T N 3.713 118.204 114.554 -0.105 0.000 2.832 324 T HA 0.496 4.846 4.350 0.000 0.000 0.296 324 T C -0.029 174.681 174.700 0.017 0.000 0.968 324 T CA -0.773 61.290 62.100 -0.061 0.000 1.107 324 T CB 0.724 69.556 68.868 -0.059 0.000 0.916 324 T HN 0.301 nan 8.240 nan 0.000 0.517 325 M N 3.949 123.600 119.600 0.086 0.000 2.200 325 M HA 0.290 4.770 4.480 0.000 0.000 0.355 325 M C 0.433 176.920 176.300 0.311 0.000 1.283 325 M CA 0.011 55.458 55.300 0.245 0.000 1.124 325 M CB -0.245 32.595 32.600 0.399 0.000 1.625 325 M HN 0.943 nan 8.290 nan 0.000 0.463 326 E N 1.836 122.221 120.200 0.309 0.000 2.321 326 E HA 0.306 4.656 4.350 0.000 0.000 0.281 326 E C -1.191 175.504 176.600 0.158 0.000 0.910 326 E CA -0.810 55.773 56.400 0.305 0.000 0.770 326 E CB 1.557 31.374 29.700 0.196 0.000 1.225 326 E HN 0.609 nan 8.360 nan 0.000 0.417 327 H N 4.386 123.400 119.070 -0.093 0.000 2.652 327 H HA 0.147 4.703 4.556 0.000 0.000 0.349 327 H C -1.578 173.599 175.328 -0.251 0.000 1.099 327 H CA -1.738 54.112 56.048 -0.329 0.000 1.417 327 H CB 1.645 31.090 29.762 -0.528 0.000 1.457 327 H HN 0.476 nan 8.280 nan 0.000 0.568 328 P HA 0.003 nan 4.420 nan 0.000 0.242 328 P C 0.470 177.718 177.300 -0.087 0.000 1.197 328 P CA 0.717 63.456 63.100 -0.602 0.000 0.765 328 P CB 0.628 31.677 31.700 -1.085 0.000 0.936 329 K N -1.858 118.702 120.400 0.266 0.000 2.711 329 K HA 0.159 4.479 4.320 0.000 0.000 0.197 329 K C -0.153 176.403 176.600 -0.074 0.000 1.535 329 K CA 0.247 56.591 56.287 0.096 0.000 1.170 329 K CB 0.214 32.778 32.500 0.106 0.000 1.596 329 K HN -0.170 nan 8.250 nan 0.000 0.584 330 Y N 2.879 123.009 120.300 -0.283 0.000 2.650 330 Y HA 0.224 4.774 4.550 0.000 0.000 0.343 330 Y C 0.556 176.180 175.900 -0.460 0.000 1.078 330 Y CA -0.305 57.444 58.100 -0.586 0.000 1.356 330 Y CB 0.558 38.284 38.460 -1.224 0.000 1.204 330 Y HN 0.101 nan 8.280 nan 0.000 0.508 331 E N 2.500 122.647 120.200 -0.088 0.000 2.333 331 E HA -0.188 4.162 4.350 0.000 0.000 0.198 331 E C 1.241 177.898 176.600 0.095 0.000 1.007 331 E CA 1.002 57.417 56.400 0.026 0.000 0.845 331 E CB -0.036 29.703 29.700 0.065 0.000 0.766 331 E HN 0.880 nan 8.360 nan 0.000 0.507 332 W N -0.475 120.931 121.300 0.178 0.000 3.047 332 W HA 0.034 4.694 4.660 0.000 0.000 0.250 332 W C 1.241 177.854 176.519 0.157 0.000 1.314 332 W CA -0.341 57.088 57.345 0.139 0.000 1.540 332 W CB -0.675 28.855 29.460 0.116 0.000 1.127 332 W HN -0.058 nan 8.180 nan 0.000 0.679 333 F N 3.518 123.271 119.950 -0.328 0.000 2.146 333 F HA -0.220 4.307 4.527 0.000 0.000 0.298 333 F C 2.898 178.688 175.800 -0.016 0.000 1.096 333 F CA 2.867 60.696 58.000 -0.284 0.000 1.275 333 F CB -0.420 38.314 39.000 -0.443 0.000 1.008 333 F HN -0.005 nan 8.300 nan 0.000 0.480 334 Q N -0.254 119.612 119.800 0.109 0.000 2.291 334 Q HA -0.187 4.154 4.340 0.000 0.000 0.205 334 Q C 1.496 177.502 176.000 0.009 0.000 0.970 334 Q CA 1.682 57.517 55.803 0.054 0.000 0.876 334 Q CB -0.791 28.001 28.738 0.091 0.000 0.935 334 Q HN 0.496 nan 8.270 nan 0.000 0.455 335 E N 0.339 120.575 120.200 0.060 0.000 2.409 335 E HA -0.106 4.244 4.350 0.000 0.000 0.198 335 E C 1.183 177.794 176.600 0.019 0.000 1.024 335 E CA 0.332 56.773 56.400 0.069 0.000 0.861 335 E CB 0.106 29.891 29.700 0.142 0.000 0.788 335 E HN 0.312 nan 8.360 nan 0.000 0.521 336 L N -0.406 120.775 121.223 -0.069 0.000 2.395 336 L HA 0.065 4.405 4.340 0.000 0.000 0.218 336 L C 1.345 178.165 176.870 -0.084 0.000 1.130 336 L CA 1.040 55.802 54.840 -0.129 0.000 0.826 336 L CB -0.576 41.261 42.059 -0.370 0.000 0.941 336 L HN 0.152 nan 8.230 nan 0.000 0.451 337 G N 0.363 109.121 108.800 -0.070 0.000 2.333 337 G HA2 -0.239 3.721 3.960 0.000 0.000 0.296 337 G HA3 -0.239 3.721 3.960 0.000 0.000 0.296 337 G C -0.272 174.618 174.900 -0.016 0.000 1.059 337 G CA -0.088 45.001 45.100 -0.019 0.000 1.050 337 G HN 0.095 nan 8.290 nan 0.000 0.508 338 L N 0.024 121.162 121.223 -0.142 0.000 2.334 338 L HA 0.938 5.278 4.340 0.000 0.000 0.273 338 L C 0.363 177.058 176.870 -0.292 0.000 1.013 338 L CA -0.815 53.899 54.840 -0.210 0.000 0.816 338 L CB 1.857 43.711 42.059 -0.343 0.000 1.278 338 L HN 0.695 nan 8.230 nan 0.000 0.431 339 K N 1.055 121.150 120.400 -0.508 0.000 2.615 339 K HA 0.556 4.876 4.320 0.000 0.000 0.291 339 K C -1.930 174.732 176.600 0.103 0.000 1.017 339 K CA -0.993 55.140 56.287 -0.256 0.000 0.882 339 K CB 1.970 34.200 32.500 -0.450 0.000 1.522 339 K HN 0.489 nan 8.250 nan 0.000 0.412 340 W N 1.850 123.150 121.300 -0.001 0.000 3.213 340 W HA 0.325 4.985 4.660 0.000 0.000 0.318 340 W C -1.299 175.268 176.519 0.080 0.000 1.248 340 W CA -0.806 56.605 57.345 0.109 0.000 1.187 340 W CB 1.568 30.948 29.460 -0.133 0.000 1.403 340 W HN 0.690 nan 8.180 nan 0.000 0.556 341 Y N 1.109 121.260 120.300 -0.247 0.000 2.397 341 Y HA 0.482 5.032 4.550 0.000 0.000 0.335 341 Y C 0.765 176.828 175.900 0.272 0.000 1.213 341 Y CA 0.168 58.230 58.100 -0.065 0.000 1.391 341 Y CB 0.226 38.533 38.460 -0.254 0.000 1.293 341 Y HN 0.344 nan 8.280 nan 0.000 0.557 342 A N 2.830 125.871 122.820 0.368 0.000 2.251 342 A HA 0.192 4.512 4.320 0.000 0.000 0.209 342 A C 0.117 178.049 177.584 0.580 0.000 1.187 342 A CA 0.041 52.368 52.037 0.482 0.000 0.823 342 A CB -0.329 18.795 19.000 0.208 0.000 0.846 342 A HN 0.659 nan 8.150 nan 0.000 0.486 343 L N 1.578 123.122 121.223 0.535 0.000 2.318 343 L HA 0.457 4.797 4.340 0.000 0.000 0.277 343 L C -2.730 174.315 176.870 0.292 0.000 1.008 343 L CA -2.174 52.865 54.840 0.331 0.000 0.846 343 L CB 1.924 44.079 42.059 0.161 0.000 1.220 343 L HN -0.095 nan 8.230 nan 0.000 0.423 344 P HA 0.370 nan 4.420 nan 0.000 0.288 344 P C -1.350 175.871 177.300 -0.132 0.000 1.363 344 P CA -0.277 62.681 63.100 -0.236 0.000 0.837 344 P CB 1.369 32.519 31.700 -0.916 0.000 0.981 345 A N 4.551 127.323 122.820 -0.079 0.000 2.410 345 A HA 0.404 4.724 4.320 0.000 0.000 0.289 345 A C -0.238 177.194 177.584 -0.252 0.000 1.200 345 A CA -0.684 51.270 52.037 -0.138 0.000 0.751 345 A CB 0.935 19.904 19.000 -0.052 0.000 1.161 345 A HN 0.293 nan 8.150 nan 0.000 0.459 346 V N 2.309 121.913 119.914 -0.517 0.000 2.529 346 V HA 0.274 4.394 4.120 0.000 0.000 0.292 346 V C 1.320 177.037 176.094 -0.629 0.000 1.028 346 V CA 1.197 63.111 62.300 -0.643 0.000 1.074 346 V CB 0.908 32.131 31.823 -1.001 0.000 0.958 346 V HN 1.077 nan 8.190 nan 0.000 0.481 347 A N 4.237 126.862 122.820 -0.324 0.000 2.167 347 A HA 0.094 4.414 4.320 0.000 0.000 0.208 347 A C 1.398 178.918 177.584 -0.108 0.000 1.198 347 A CA 0.477 52.402 52.037 -0.185 0.000 0.863 347 A CB -0.129 18.817 19.000 -0.090 0.000 0.904 347 A HN 0.918 nan 8.150 nan 0.000 0.484 348 N N -1.152 117.484 118.700 -0.106 0.000 2.251 348 N HA 0.271 5.011 4.740 0.000 0.000 0.217 348 N C 0.155 175.679 175.510 0.024 0.000 1.124 348 N CA -0.229 52.798 53.050 -0.038 0.000 0.843 348 N CB 0.125 38.575 38.487 -0.062 0.000 1.024 348 N HN 0.321 nan 8.380 nan 0.000 0.501 349 M N 1.264 120.881 119.600 0.028 0.000 2.359 349 M HA 0.330 4.810 4.480 0.000 0.000 0.322 349 M C -0.563 175.867 176.300 0.216 0.000 1.166 349 M CA -0.779 54.614 55.300 0.155 0.000 1.067 349 M CB 2.181 34.900 32.600 0.199 0.000 1.523 349 M HN 0.138 nan 8.290 nan 0.000 0.467 350 L N 2.545 123.938 121.223 0.283 0.000 2.329 350 L HA 0.571 4.911 4.340 0.000 0.000 0.279 350 L C -1.445 175.666 176.870 0.403 0.000 1.014 350 L CA -1.008 54.018 54.840 0.310 0.000 0.814 350 L CB 1.342 43.551 42.059 0.251 0.000 1.257 350 L HN 0.576 nan 8.230 nan 0.000 0.424 351 L N 4.863 126.325 121.223 0.398 0.000 2.289 351 L HA 0.492 4.832 4.340 0.000 0.000 0.285 351 L C -0.548 176.508 176.870 0.309 0.000 1.049 351 L CA 0.305 55.339 54.840 0.324 0.000 0.804 351 L CB 1.185 43.398 42.059 0.255 0.000 1.195 351 L HN 0.638 nan 8.230 nan 0.000 0.428 352 E N 4.862 125.190 120.200 0.213 0.000 2.176 352 E HA 0.506 4.856 4.350 0.000 0.000 0.267 352 E C -1.958 174.675 176.600 0.054 0.000 0.893 352 E CA -0.438 56.074 56.400 0.187 0.000 0.761 352 E CB 1.879 31.780 29.700 0.334 0.000 1.133 352 E HN 0.512 nan 8.360 nan 0.000 0.409 353 V N 3.216 123.128 119.914 -0.003 0.000 2.697 353 V HA 0.523 4.643 4.120 0.000 0.000 0.300 353 V C 0.249 176.216 176.094 -0.212 0.000 1.115 353 V CA 0.480 62.661 62.300 -0.197 0.000 0.912 353 V CB 1.232 32.825 31.823 -0.383 0.000 1.024 353 V HN 0.862 nan 8.190 nan 0.000 0.431 354 G N 4.494 113.225 108.800 -0.116 0.000 2.356 354 G HA2 0.095 4.055 3.960 0.000 0.000 0.296 354 G HA3 0.095 4.055 3.960 0.000 0.000 0.296 354 G C 1.543 176.588 174.900 0.242 0.000 1.022 354 G CA 1.260 46.456 45.100 0.160 0.000 0.961 354 G HN 2.754 nan 8.290 nan 0.000 0.510 355 G N -2.106 106.775 108.800 0.136 0.000 2.205 355 G HA2 -0.248 3.712 3.960 0.000 0.000 0.261 355 G HA3 -0.248 3.712 3.960 0.000 0.000 0.261 355 G C 0.471 175.423 174.900 0.085 0.000 0.980 355 G CA 0.646 45.855 45.100 0.181 0.000 0.632 355 G HN 1.298 nan 8.290 nan 0.000 0.533 356 L N 0.851 122.078 121.223 0.007 0.000 2.360 356 L HA 0.678 5.018 4.340 0.000 0.000 0.271 356 L C 0.259 177.037 176.870 -0.152 0.000 1.057 356 L CA -0.837 53.913 54.840 -0.149 0.000 0.803 356 L CB 1.373 43.256 42.059 -0.293 0.000 1.207 356 L HN 0.429 nan 8.230 nan 0.000 0.445 357 E N 1.908 121.938 120.200 -0.284 0.000 2.246 357 E HA 0.425 4.775 4.350 0.000 0.000 0.266 357 E C -1.629 174.790 176.600 -0.302 0.000 0.880 357 E CA -0.593 55.718 56.400 -0.149 0.000 0.762 357 E CB 1.665 31.333 29.700 -0.053 0.000 1.180 357 E HN 0.231 nan 8.360 nan 0.000 0.416 358 F N 3.296 123.267 119.950 0.036 0.000 2.307 358 F HA 0.281 4.808 4.527 0.000 0.000 0.369 358 F C -1.580 174.285 175.800 0.107 0.000 1.076 358 F CA -2.446 55.588 58.000 0.057 0.000 1.149 358 F CB 1.558 40.579 39.000 0.036 0.000 1.410 358 F HN 0.382 nan 8.300 nan 0.000 0.481 359 P HA 0.017 nan 4.420 nan 0.000 0.247 359 P C -0.138 177.288 177.300 0.210 0.000 1.225 359 P CA 0.565 63.777 63.100 0.186 0.000 0.768 359 P CB 0.397 32.172 31.700 0.126 0.000 1.020 360 A N 0.294 123.282 122.820 0.280 0.000 2.599 360 A HA 0.523 4.843 4.320 0.000 0.000 0.281 360 A C -0.236 177.565 177.584 0.362 0.000 1.137 360 A CA -0.420 51.799 52.037 0.304 0.000 0.767 360 A CB 0.126 19.314 19.000 0.314 0.000 1.266 360 A HN 0.263 nan 8.150 nan 0.000 0.420 361 C N 0.887 120.333 119.300 0.243 0.000 3.319 361 C HA 0.503 4.963 4.460 0.000 0.000 0.258 361 C C -2.801 172.223 174.990 0.056 0.000 1.068 361 C CA -1.541 57.557 59.018 0.133 0.000 1.193 361 C CB -0.166 27.655 27.740 0.135 0.000 1.770 361 C HN 0.583 nan 8.230 nan 0.000 0.604 362 P HA 0.350 nan 4.420 nan 0.000 0.268 362 P C -0.608 176.614 177.300 -0.129 0.000 1.204 362 P CA 0.916 63.937 63.100 -0.132 0.000 0.768 362 P CB 0.592 32.290 31.700 -0.003 0.000 0.842 363 F N 0.409 120.286 119.950 -0.121 0.000 2.629 363 F HA 0.703 5.230 4.527 0.000 0.000 0.316 363 F C -0.784 174.950 175.800 -0.109 0.000 1.081 363 F CA -1.202 56.707 58.000 -0.152 0.000 0.954 363 F CB 1.710 40.462 39.000 -0.413 0.000 1.337 363 F HN 0.388 nan 8.300 nan 0.000 0.474 364 N N -0.195 118.597 118.700 0.154 0.000 2.591 364 N HA 0.675 5.415 4.740 0.000 0.000 0.263 364 N C -1.321 174.095 175.510 -0.157 0.000 1.308 364 N CA -0.425 52.618 53.050 -0.012 0.000 0.837 364 N CB 1.941 40.412 38.487 -0.027 0.000 1.548 364 N HN 1.097 nan 8.380 nan 0.000 0.493 365 G N -0.637 108.027 108.800 -0.227 0.000 3.259 365 G HA2 0.693 4.653 3.960 0.000 0.000 0.178 365 G HA3 0.693 4.653 3.960 0.000 0.000 0.178 365 G C -1.630 173.178 174.900 -0.153 0.000 1.129 365 G CA -0.737 44.132 45.100 -0.386 0.000 0.816 365 G HN 0.693 nan 8.290 nan 0.000 0.634 366 W N -1.787 119.491 121.300 -0.037 0.000 2.850 366 W HA 0.815 5.475 4.660 0.000 0.000 0.349 366 W C -1.362 175.124 176.519 -0.055 0.000 1.133 366 W CA -2.192 55.145 57.345 -0.013 0.000 1.117 366 W CB 0.293 29.787 29.460 0.056 0.000 1.442 366 W HN 0.383 nan 8.180 nan 0.000 0.575 367 Y N 2.180 122.655 120.300 0.292 0.000 2.397 367 Y HA 0.250 4.800 4.550 0.000 0.000 0.335 367 Y C 0.719 176.646 175.900 0.046 0.000 1.213 367 Y CA -0.563 57.577 58.100 0.066 0.000 1.391 367 Y CB 1.081 39.464 38.460 -0.129 0.000 1.293 367 Y HN 0.377 nan 8.280 nan 0.000 0.557 368 M N 2.882 122.610 119.600 0.214 0.000 2.114 368 M HA 0.335 4.815 4.480 0.000 0.000 0.332 368 M C 1.064 177.335 176.300 -0.048 0.000 1.014 368 M CA -0.234 55.118 55.300 0.086 0.000 0.956 368 M CB 1.232 33.869 32.600 0.062 0.000 1.551 368 M HN 0.872 nan 8.290 nan 0.000 0.427 369 G N 2.235 110.957 108.800 -0.129 0.000 2.663 369 G HA2 -0.383 3.577 3.960 0.000 0.000 0.222 369 G HA3 -0.383 3.577 3.960 0.000 0.000 0.222 369 G C 1.117 175.844 174.900 -0.289 0.000 1.146 369 G CA 2.148 47.101 45.100 -0.244 0.000 0.764 369 G HN 0.877 nan 8.290 nan 0.000 0.608 370 T N -0.838 113.553 114.554 -0.271 0.000 2.881 370 T HA -0.032 4.318 4.350 0.000 0.000 0.270 370 T C 1.952 176.469 174.700 -0.306 0.000 1.068 370 T CA 1.645 63.544 62.100 -0.336 0.000 1.131 370 T CB -0.306 68.305 68.868 -0.429 0.000 0.871 370 T HN 0.584 nan 8.240 nan 0.000 0.479 371 E N 1.011 121.062 120.200 -0.248 0.000 2.085 371 E HA -0.055 4.295 4.350 0.000 0.000 0.194 371 E C 2.072 178.397 176.600 -0.459 0.000 0.994 371 E CA 1.369 57.637 56.400 -0.220 0.000 0.801 371 E CB -0.337 29.381 29.700 0.030 0.000 0.743 371 E HN 0.585 nan 8.360 nan 0.000 0.453 372 I N 0.488 120.644 120.570 -0.691 0.000 2.364 372 I HA -0.053 4.117 4.170 0.000 0.000 0.241 372 I C 2.633 178.164 176.117 -0.976 0.000 1.082 372 I CA 0.930 61.525 61.300 -1.175 0.000 1.401 372 I CB -0.533 36.672 38.000 -1.324 0.000 1.126 372 I HN 0.092 nan 8.210 nan 0.000 0.429 373 G N 0.634 109.106 108.800 -0.547 0.000 2.440 373 G HA2 -0.154 3.806 3.960 0.000 0.000 0.218 373 G HA3 -0.154 3.806 3.960 0.000 0.000 0.218 373 G C 1.585 176.411 174.900 -0.124 0.000 1.154 373 G CA 1.338 46.314 45.100 -0.206 0.000 0.767 373 G HN 0.250 nan 8.290 nan 0.000 0.552 374 V N 0.147 119.932 119.914 -0.215 0.000 2.436 374 V HA 0.085 4.205 4.120 0.000 0.000 0.240 374 V C 2.780 178.789 176.094 -0.143 0.000 1.040 374 V CA 0.967 63.173 62.300 -0.157 0.000 1.052 374 V CB -0.283 31.419 31.823 -0.202 0.000 0.707 374 V HN 0.119 nan 8.190 nan 0.000 0.469 375 R N 0.760 121.136 120.500 -0.207 0.000 2.052 375 R HA -0.002 4.338 4.340 0.000 0.000 0.224 375 R C 1.976 178.192 176.300 -0.139 0.000 1.149 375 R CA 1.436 57.438 56.100 -0.163 0.000 0.962 375 R CB -1.107 29.086 30.300 -0.179 0.000 0.856 375 R HN 0.460 nan 8.270 nan 0.000 0.433 376 D N 0.545 120.753 120.400 -0.321 0.000 2.097 376 D HA -0.124 4.516 4.640 0.000 0.000 0.195 376 D C 1.860 178.152 176.300 -0.015 0.000 0.989 376 D CA 1.156 54.940 54.000 -0.360 0.000 0.827 376 D CB -0.179 39.876 40.800 -1.242 0.000 0.966 376 D HN 0.091 nan 8.370 nan 0.000 0.456 377 F N 0.227 120.079 119.950 -0.164 0.000 2.387 377 F HA 0.041 4.568 4.527 0.000 0.000 0.294 377 F C 2.331 178.170 175.800 0.065 0.000 1.093 377 F CA -0.219 57.780 58.000 -0.002 0.000 1.420 377 F CB -0.610 38.367 39.000 -0.038 0.000 1.086 377 F HN 0.030 nan 8.300 nan 0.000 0.531 378 C N -1.237 118.177 119.300 0.190 0.000 2.912 378 C HA 0.198 4.658 4.460 0.000 0.000 0.274 378 C C 0.471 175.501 174.990 0.066 0.000 1.248 378 C CA -0.747 58.340 59.018 0.115 0.000 1.694 378 C CB -0.704 27.071 27.740 0.059 0.000 2.024 378 C HN 0.072 nan 8.230 nan 0.000 0.605 379 D N 1.422 121.854 120.400 0.054 0.000 2.443 379 D HA 0.076 4.716 4.640 0.000 0.000 0.239 379 D C 1.297 177.628 176.300 0.052 0.000 1.136 379 D CA 0.615 54.633 54.000 0.030 0.000 0.879 379 D CB 0.940 41.753 40.800 0.021 0.000 1.195 379 D HN 0.128 nan 8.370 nan 0.000 0.443 380 T N 1.217 115.790 114.554 0.033 0.000 2.788 380 T HA -0.179 4.171 4.350 0.000 0.000 0.268 380 T C 1.609 176.329 174.700 0.033 0.000 1.044 380 T CA 0.997 63.119 62.100 0.037 0.000 1.139 380 T CB -0.008 68.876 68.868 0.026 0.000 0.867 380 T HN 0.510 nan 8.240 nan 0.000 0.454 381 Q N 0.551 120.368 119.800 0.029 0.000 2.444 381 Q HA 0.089 4.429 4.340 0.000 0.000 0.206 381 Q C 0.971 176.986 176.000 0.024 0.000 0.948 381 Q CA 0.361 56.178 55.803 0.024 0.000 0.946 381 Q CB 0.205 28.958 28.738 0.025 0.000 1.027 381 Q HN 0.315 nan 8.270 nan 0.000 0.513 382 R N -0.287 120.241 120.500 0.046 0.000 3.237 382 R HA 0.248 4.588 4.340 0.000 0.000 0.193 382 R C 1.542 177.859 176.300 0.028 0.000 1.551 382 R CA -0.575 55.564 56.100 0.066 0.000 0.855 382 R CB -1.150 29.253 30.300 0.173 0.000 2.062 382 R HN 0.023 nan 8.270 nan 0.000 0.507 383 Y N 1.575 121.984 120.300 0.181 0.000 2.384 383 Y HA -0.167 4.383 4.550 0.000 0.000 0.289 383 Y C 0.789 176.759 175.900 0.117 0.000 1.152 383 Y CA 1.324 59.531 58.100 0.178 0.000 1.258 383 Y CB -0.304 38.343 38.460 0.311 0.000 0.979 383 Y HN 0.462 nan 8.280 nan 0.000 0.549 384 N N 0.551 119.380 118.700 0.215 0.000 2.705 384 N HA -0.231 4.509 4.740 0.000 0.000 0.255 384 N C 0.302 175.900 175.510 0.147 0.000 1.008 384 N CA 0.896 54.033 53.050 0.145 0.000 0.742 384 N CB -1.398 37.144 38.487 0.091 0.000 0.906 384 N HN 0.687 nan 8.380 nan 0.000 0.541 385 I N -3.257 117.414 120.570 0.168 0.000 3.812 385 I HA 0.102 4.272 4.170 0.000 0.000 0.320 385 I C 1.737 177.942 176.117 0.148 0.000 1.276 385 I CA -0.375 60.999 61.300 0.125 0.000 1.164 385 I CB -0.091 37.940 38.000 0.051 0.000 1.009 385 I HN 0.163 nan 8.210 nan 0.000 0.431 386 L N 1.479 122.803 121.223 0.169 0.000 1.970 386 L HA -0.234 4.106 4.340 0.000 0.000 0.212 386 L C 2.724 179.813 176.870 0.365 0.000 1.071 386 L CA 2.392 57.365 54.840 0.221 0.000 0.751 386 L CB -0.295 41.844 42.059 0.134 0.000 0.889 386 L HN 0.477 nan 8.230 nan 0.000 0.432 387 E N 0.439 120.836 120.200 0.327 0.000 2.070 387 E HA -0.321 4.029 4.350 0.000 0.000 0.197 387 E C 1.902 178.541 176.600 0.064 0.000 1.004 387 E CA 2.061 58.602 56.400 0.234 0.000 0.805 387 E CB -0.091 29.683 29.700 0.123 0.000 0.744 387 E HN 0.649 nan 8.360 nan 0.000 0.451 388 E N -0.349 119.894 120.200 0.071 0.000 2.285 388 E HA -0.087 4.263 4.350 0.000 0.000 0.194 388 E C 1.921 178.551 176.600 0.050 0.000 0.997 388 E CA 0.970 57.380 56.400 0.018 0.000 0.845 388 E CB 0.106 29.811 29.700 0.009 0.000 0.782 388 E HN 0.207 nan 8.360 nan 0.000 0.491 389 V N 1.175 121.185 119.914 0.159 0.000 2.719 389 V HA -0.047 4.073 4.120 0.000 0.000 0.252 389 V C 2.333 178.572 176.094 0.242 0.000 1.065 389 V CA 1.605 64.076 62.300 0.285 0.000 1.086 389 V CB -0.275 31.755 31.823 0.344 0.000 0.700 389 V HN 0.539 nan 8.190 nan 0.000 0.467 390 G N -0.082 108.841 108.800 0.206 0.000 2.394 390 G HA2 -0.184 3.776 3.960 0.000 0.000 0.214 390 G HA3 -0.184 3.776 3.960 0.000 0.000 0.214 390 G C 1.745 176.601 174.900 -0.074 0.000 1.176 390 G CA 0.430 45.622 45.100 0.153 0.000 0.786 390 G HN 0.378 nan 8.290 nan 0.000 0.533 391 R N 0.067 120.469 120.500 -0.163 0.000 2.080 391 R HA -0.017 4.323 4.340 0.000 0.000 0.236 391 R C 2.726 178.886 176.300 -0.234 0.000 1.137 391 R CA 1.297 57.274 56.100 -0.205 0.000 0.943 391 R CB -0.285 29.906 30.300 -0.182 0.000 0.846 391 R HN 0.229 nan 8.270 nan 0.000 0.431 392 R N -0.096 120.206 120.500 -0.330 0.000 2.285 392 R HA -0.018 4.322 4.340 0.000 0.000 0.213 392 R C 1.900 177.803 176.300 -0.661 0.000 1.068 392 R CA 0.899 56.562 56.100 -0.728 0.000 1.004 392 R CB -0.022 29.520 30.300 -1.263 0.000 0.873 392 R HN 0.262 nan 8.270 nan 0.000 0.467 393 M N -1.135 118.370 119.600 -0.158 0.000 2.509 393 M HA 0.116 4.596 4.480 0.000 0.000 0.250 393 M C 0.917 177.261 176.300 0.072 0.000 1.132 393 M CA 0.644 56.039 55.300 0.159 0.000 1.080 393 M CB 0.862 33.616 32.600 0.257 0.000 1.408 393 M HN 0.424 nan 8.290 nan 0.000 0.484 394 G N 0.927 109.698 108.800 -0.048 0.000 2.159 394 G HA2 -0.206 3.754 3.960 0.000 0.000 0.256 394 G HA3 -0.206 3.754 3.960 0.000 0.000 0.256 394 G C -0.127 174.753 174.900 -0.033 0.000 0.977 394 G CA -0.363 44.707 45.100 -0.049 0.000 0.652 394 G HN 0.244 nan 8.290 nan 0.000 0.531 395 L N 0.565 121.771 121.223 -0.029 0.000 2.464 395 L HA 0.404 4.744 4.340 0.000 0.000 0.264 395 L C 0.969 177.750 176.870 -0.147 0.000 1.199 395 L CA -0.314 54.513 54.840 -0.021 0.000 0.818 395 L CB 0.264 42.374 42.059 0.086 0.000 1.102 395 L HN 0.294 nan 8.230 nan 0.000 0.473 396 E N 0.480 120.621 120.200 -0.099 0.000 1.774 396 E HA 0.044 4.394 4.350 0.000 0.000 0.265 396 E C 0.748 177.091 176.600 -0.427 0.000 1.207 396 E CA 0.047 56.365 56.400 -0.137 0.000 1.054 396 E CB -0.165 29.532 29.700 -0.005 0.000 1.074 396 E HN 0.510 nan 8.360 nan 0.000 0.433 397 T N 1.039 115.153 114.554 -0.733 0.000 3.051 397 T HA -0.118 4.232 4.350 0.000 0.000 0.269 397 T C 0.756 174.892 174.700 -0.941 0.000 1.127 397 T CA 0.866 62.086 62.100 -1.466 0.000 1.107 397 T CB -0.084 68.039 68.868 -1.242 0.000 0.898 397 T HN 0.517 nan 8.240 nan 0.000 0.517 398 H N 0.160 119.062 119.070 -0.279 0.000 2.594 398 H HA 0.231 4.787 4.556 0.000 0.000 0.279 398 H C 0.039 175.387 175.328 0.032 0.000 1.042 398 H CA 0.208 56.213 56.048 -0.072 0.000 1.177 398 H CB 0.636 30.356 29.762 -0.070 0.000 1.524 398 H HN 0.162 nan 8.280 nan 0.000 0.537 399 T N 2.264 116.901 114.554 0.138 0.000 2.991 399 T HA 0.077 4.427 4.350 0.000 0.000 0.347 399 T C 1.110 175.987 174.700 0.296 0.000 1.122 399 T CA -0.381 61.826 62.100 0.178 0.000 1.062 399 T CB 1.390 70.333 68.868 0.124 0.000 1.043 399 T HN -0.032 nan 8.240 nan 0.000 0.491 400 L N 2.861 124.246 121.223 0.270 0.000 2.043 400 L HA -0.098 4.242 4.340 0.000 0.000 0.212 400 L C 2.565 179.515 176.870 0.134 0.000 1.075 400 L CA 2.016 56.984 54.840 0.214 0.000 0.752 400 L CB -0.971 41.157 42.059 0.116 0.000 0.891 400 L HN 0.756 nan 8.230 nan 0.000 0.432 401 A N -1.389 121.500 122.820 0.116 0.000 2.125 401 A HA -0.172 4.148 4.320 0.000 0.000 0.219 401 A C 2.368 180.011 177.584 0.098 0.000 1.156 401 A CA 1.492 53.578 52.037 0.082 0.000 0.671 401 A CB -0.780 18.261 19.000 0.067 0.000 0.794 401 A HN 0.611 nan 8.150 nan 0.000 0.459 402 S N -0.463 115.333 115.700 0.159 0.000 2.507 402 S HA 0.048 4.518 4.470 0.000 0.000 0.235 402 S C 0.879 175.575 174.600 0.159 0.000 0.988 402 S CA 0.736 59.036 58.200 0.167 0.000 0.944 402 S CB -0.798 62.527 63.200 0.210 0.000 0.762 402 S HN 0.882 nan 8.310 nan 0.000 0.526 403 L N 0.327 121.619 121.223 0.114 0.000 3.865 403 L HA -0.177 4.163 4.340 0.000 0.000 0.408 403 L C 1.633 178.535 176.870 0.053 0.000 1.209 403 L CA 0.721 55.572 54.840 0.018 0.000 0.940 403 L CB -2.653 39.418 42.059 0.020 0.000 1.971 403 L HN 0.743 nan 8.230 nan 0.000 0.899 404 W N 0.273 121.583 121.300 0.016 0.000 2.358 404 W HA -0.146 4.514 4.660 0.000 0.000 0.303 404 W C 1.738 178.268 176.519 0.018 0.000 1.208 404 W CA 1.382 58.738 57.345 0.018 0.000 1.274 404 W CB -0.784 28.681 29.460 0.009 0.000 1.138 404 W HN 0.259 nan 8.180 nan 0.000 0.515 405 K N 1.002 120.959 120.400 -0.739 0.000 2.063 405 K HA -0.194 4.126 4.320 0.000 0.000 0.208 405 K C 1.476 177.920 176.600 -0.261 0.000 1.048 405 K CA 2.429 58.275 56.287 -0.736 0.000 0.928 405 K CB -0.411 31.512 32.500 -0.962 0.000 0.713 405 K HN 0.074 nan 8.250 nan 0.000 0.442 406 D N 0.051 120.343 120.400 -0.179 0.000 2.144 406 D HA -0.088 4.552 4.640 0.000 0.000 0.200 406 D C 1.934 178.226 176.300 -0.013 0.000 0.978 406 D CA 0.974 54.927 54.000 -0.079 0.000 0.833 406 D CB 0.055 40.825 40.800 -0.051 0.000 0.961 406 D HN 0.123 nan 8.370 nan 0.000 0.470 407 R N 0.449 120.969 120.500 0.033 0.000 2.073 407 R HA 0.056 4.396 4.340 0.000 0.000 0.229 407 R C 2.253 178.598 176.300 0.076 0.000 1.120 407 R CA 1.091 57.236 56.100 0.076 0.000 0.967 407 R CB -0.278 30.096 30.300 0.125 0.000 0.862 407 R HN 0.138 nan 8.270 nan 0.000 0.436 408 A N 0.891 123.779 122.820 0.114 0.000 1.845 408 A HA -0.138 4.182 4.320 0.000 0.000 0.215 408 A C 2.353 179.980 177.584 0.071 0.000 1.195 408 A CA 1.651 53.767 52.037 0.131 0.000 0.616 408 A CB -0.835 18.304 19.000 0.232 0.000 0.832 408 A HN 0.111 nan 8.150 nan 0.000 0.443 409 V N 0.076 120.009 119.914 0.032 0.000 2.370 409 V HA -0.288 3.832 4.120 0.000 0.000 0.252 409 V C 2.692 178.785 176.094 -0.002 0.000 1.068 409 V CA 2.565 64.870 62.300 0.007 0.000 1.061 409 V CB -1.505 30.292 31.823 -0.043 0.000 0.656 409 V HN 0.636 nan 8.190 nan 0.000 0.455 410 T N -0.740 113.816 114.554 0.003 0.000 2.777 410 T HA -0.141 4.209 4.350 0.000 0.000 0.266 410 T C 1.899 176.598 174.700 -0.001 0.000 1.040 410 T CA 1.336 63.443 62.100 0.012 0.000 1.141 410 T CB -0.240 68.648 68.868 0.034 0.000 0.868 410 T HN 0.455 nan 8.240 nan 0.000 0.444 411 E N 0.977 121.169 120.200 -0.014 0.000 2.106 411 E HA 0.015 4.365 4.350 0.000 0.000 0.192 411 E C 2.196 178.721 176.600 -0.125 0.000 0.984 411 E CA 0.642 57.010 56.400 -0.053 0.000 0.806 411 E CB -0.390 29.177 29.700 -0.221 0.000 0.750 411 E HN 0.532 nan 8.360 nan 0.000 0.458 412 I N 1.396 121.931 120.570 -0.059 0.000 2.315 412 I HA -0.239 3.931 4.170 0.000 0.000 0.248 412 I C 2.065 178.163 176.117 -0.032 0.000 1.117 412 I CA 0.689 61.985 61.300 -0.007 0.000 1.404 412 I CB -0.276 37.832 38.000 0.179 0.000 1.071 412 I HN 0.034 nan 8.210 nan 0.000 0.419 413 N N 0.765 119.440 118.700 -0.041 0.000 2.120 413 N HA -0.136 4.604 4.740 0.000 0.000 0.188 413 N C 1.947 177.413 175.510 -0.072 0.000 1.024 413 N CA 1.821 54.835 53.050 -0.061 0.000 0.852 413 N CB -0.265 38.191 38.487 -0.052 0.000 1.003 413 N HN 0.303 nan 8.380 nan 0.000 0.424 414 V N -0.610 119.242 119.914 -0.104 0.000 2.515 414 V HA 0.006 4.126 4.120 0.000 0.000 0.250 414 V C 2.418 178.366 176.094 -0.243 0.000 1.058 414 V CA 1.475 63.681 62.300 -0.156 0.000 1.064 414 V CB -1.272 30.435 31.823 -0.193 0.000 0.675 414 V HN 0.163 nan 8.190 nan 0.000 0.461 415 A N 0.942 123.550 122.820 -0.354 0.000 1.865 415 A HA -0.122 4.198 4.320 0.000 0.000 0.217 415 A C 2.418 179.976 177.584 -0.044 0.000 1.191 415 A CA 2.376 54.187 52.037 -0.376 0.000 0.623 415 A CB -0.963 17.574 19.000 -0.773 0.000 0.826 415 A HN 0.373 nan 8.150 nan 0.000 0.444 416 V N 0.132 120.059 119.914 0.022 0.000 2.255 416 V HA -0.303 3.818 4.120 0.000 0.000 0.247 416 V C 2.612 178.773 176.094 0.112 0.000 1.051 416 V CA 2.168 64.537 62.300 0.115 0.000 1.018 416 V CB -0.882 30.923 31.823 -0.030 0.000 0.641 416 V HN 0.568 nan 8.190 nan 0.000 0.445 417 L N -0.708 120.518 121.223 0.005 0.000 2.012 417 L HA -0.241 4.099 4.340 0.000 0.000 0.210 417 L C 2.651 179.567 176.870 0.077 0.000 1.073 417 L CA 2.185 57.033 54.840 0.013 0.000 0.748 417 L CB -0.899 41.159 42.059 -0.003 0.000 0.891 417 L HN 0.512 nan 8.230 nan 0.000 0.431 418 H N -0.316 118.727 119.070 -0.044 0.000 2.319 418 H HA -0.159 4.397 4.556 0.000 0.000 0.299 418 H C 2.326 177.657 175.328 0.004 0.000 1.092 418 H CA 1.899 57.914 56.048 -0.056 0.000 1.302 418 H CB 0.331 29.997 29.762 -0.160 0.000 1.373 418 H HN 0.264 nan 8.280 nan 0.000 0.497 419 S N 0.289 115.972 115.700 -0.029 0.000 2.359 419 S HA -0.143 4.327 4.470 0.000 0.000 0.224 419 S C 1.998 176.570 174.600 -0.045 0.000 1.035 419 S CA 1.427 59.593 58.200 -0.055 0.000 1.018 419 S CB -0.552 62.697 63.200 0.083 0.000 0.876 419 S HN 0.299 nan 8.310 nan 0.000 0.448 420 F N 1.848 121.746 119.950 -0.087 0.000 2.134 420 F HA -0.113 4.414 4.527 0.000 0.000 0.299 420 F C 2.691 178.435 175.800 -0.093 0.000 1.097 420 F CA 1.157 59.118 58.000 -0.065 0.000 1.264 420 F CB -0.649 38.327 39.000 -0.040 0.000 1.001 420 F HN 0.206 nan 8.300 nan 0.000 0.479 421 Q N -0.130 119.712 119.800 0.070 0.000 2.084 421 Q HA -0.249 4.091 4.340 0.000 0.000 0.202 421 Q C 2.245 178.188 176.000 -0.095 0.000 0.978 421 Q CA 1.794 57.584 55.803 -0.022 0.000 0.844 421 Q CB -0.223 28.495 28.738 -0.033 0.000 0.898 421 Q HN 0.316 nan 8.270 nan 0.000 0.426 422 K N 0.678 120.958 120.400 -0.200 0.000 2.057 422 K HA -0.171 4.149 4.320 0.000 0.000 0.207 422 K C 1.454 177.974 176.600 -0.133 0.000 1.049 422 K CA 1.348 57.506 56.287 -0.214 0.000 0.931 422 K CB 0.161 32.446 32.500 -0.360 0.000 0.714 422 K HN 0.156 nan 8.250 nan 0.000 0.440 423 Q N 0.465 120.185 119.800 -0.134 0.000 2.322 423 Q HA 0.090 4.430 4.340 0.000 0.000 0.203 423 Q C -0.578 175.368 176.000 -0.091 0.000 0.923 423 Q CA -0.147 55.586 55.803 -0.117 0.000 0.949 423 Q CB 0.325 28.968 28.738 -0.157 0.000 1.039 423 Q HN 0.305 nan 8.270 nan 0.000 0.496 424 N N -0.108 118.552 118.700 -0.068 0.000 2.721 424 N HA -0.150 4.590 4.740 0.000 0.000 0.249 424 N C -1.196 174.297 175.510 -0.028 0.000 1.072 424 N CA 0.621 53.644 53.050 -0.045 0.000 0.710 424 N CB -1.302 37.157 38.487 -0.047 0.000 0.993 424 N HN 0.048 nan 8.380 nan 0.000 0.547 425 V N 1.127 121.040 119.914 -0.000 0.000 2.370 425 V HA 0.192 4.313 4.120 0.000 0.000 0.279 425 V C 0.976 177.199 176.094 0.214 0.000 1.029 425 V CA -0.578 61.767 62.300 0.075 0.000 0.870 425 V CB 1.763 33.565 31.823 -0.035 0.000 0.984 425 V HN 0.142 nan 8.190 nan 0.000 0.451 426 T N 6.564 121.176 114.554 0.098 0.000 2.923 426 T HA 0.321 4.671 4.350 0.000 0.000 0.304 426 T C -0.204 174.525 174.700 0.050 0.000 1.044 426 T CA 1.054 63.126 62.100 -0.047 0.000 1.141 426 T CB 0.054 68.774 68.868 -0.247 0.000 1.023 426 T HN 0.611 nan 8.240 nan 0.000 0.533 427 I N 2.036 122.541 120.570 -0.109 0.000 2.961 427 I HA 0.595 4.765 4.170 0.000 0.000 0.303 427 I C -1.752 174.314 176.117 -0.085 0.000 1.505 427 I CA -1.031 60.208 61.300 -0.102 0.000 0.964 427 I CB 2.001 39.817 38.000 -0.307 0.000 1.348 427 I HN 0.680 nan 8.210 nan 0.000 0.508 428 M N 4.359 123.972 119.600 0.022 0.000 2.386 428 M HA 0.401 4.881 4.480 0.000 0.000 0.293 428 M C -1.728 174.610 176.300 0.064 0.000 1.120 428 M CA -0.506 54.835 55.300 0.067 0.000 0.909 428 M CB 1.802 34.524 32.600 0.203 0.000 1.661 428 M HN 0.649 nan 8.290 nan 0.000 0.452 429 D N 2.037 122.475 120.400 0.063 0.000 2.357 429 D HA 0.071 4.711 4.640 0.000 0.000 0.242 429 D C 1.124 177.486 176.300 0.104 0.000 1.153 429 D CA -0.078 53.986 54.000 0.106 0.000 0.918 429 D CB 0.571 41.424 40.800 0.089 0.000 1.181 429 D HN 0.694 nan 8.370 nan 0.000 0.435 430 H N 0.510 119.517 119.070 -0.104 0.000 2.456 430 H HA -0.141 4.415 4.556 0.000 0.000 0.296 430 H C 0.997 176.215 175.328 -0.183 0.000 1.079 430 H CA 1.393 57.338 56.048 -0.172 0.000 1.322 430 H CB -0.654 28.949 29.762 -0.265 0.000 1.388 430 H HN 0.553 nan 8.280 nan 0.000 0.538 431 H N 1.228 120.097 119.070 -0.335 0.000 2.284 431 H HA -0.067 4.489 4.556 0.000 0.000 0.304 431 H C 2.451 177.746 175.328 -0.055 0.000 1.069 431 H CA 2.321 58.245 56.048 -0.208 0.000 1.327 431 H CB -0.389 29.224 29.762 -0.250 0.000 1.387 431 H HN 0.578 nan 8.280 nan 0.000 0.498 432 T N -0.303 114.307 114.554 0.094 0.000 2.759 432 T HA -0.078 4.272 4.350 0.000 0.000 0.269 432 T C 2.305 177.070 174.700 0.107 0.000 1.042 432 T CA 1.211 63.364 62.100 0.087 0.000 1.140 432 T CB -0.523 68.388 68.868 0.072 0.000 0.864 432 T HN 0.345 nan 8.240 nan 0.000 0.455 433 A N 1.627 124.512 122.820 0.108 0.000 1.877 433 A HA -0.005 4.315 4.320 0.000 0.000 0.216 433 A C 2.741 180.419 177.584 0.157 0.000 1.186 433 A CA 1.901 54.023 52.037 0.141 0.000 0.620 433 A CB -1.131 17.946 19.000 0.129 0.000 0.822 433 A HN 0.522 nan 8.150 nan 0.000 0.443 434 S N -0.241 115.529 115.700 0.117 0.000 2.356 434 S HA -0.172 4.298 4.470 0.000 0.000 0.223 434 S C 1.873 176.589 174.600 0.193 0.000 1.032 434 S CA 1.528 59.815 58.200 0.145 0.000 1.005 434 S CB -0.348 62.903 63.200 0.084 0.000 0.867 434 S HN 0.689 nan 8.310 nan 0.000 0.449 435 E N 1.188 121.475 120.200 0.145 0.000 2.058 435 E HA -0.149 4.201 4.350 0.000 0.000 0.194 435 E C 2.463 179.140 176.600 0.128 0.000 0.997 435 E CA 1.532 58.007 56.400 0.125 0.000 0.801 435 E CB -0.299 29.457 29.700 0.093 0.000 0.746 435 E HN 0.636 nan 8.360 nan 0.000 0.450 436 S N 0.796 116.581 115.700 0.143 0.000 2.382 436 S HA -0.187 4.283 4.470 0.000 0.000 0.228 436 S C 1.944 176.642 174.600 0.163 0.000 1.027 436 S CA 0.754 59.037 58.200 0.138 0.000 0.991 436 S CB -0.514 62.776 63.200 0.149 0.000 0.823 436 S HN 0.316 nan 8.310 nan 0.000 0.469 437 F N 2.172 122.181 119.950 0.099 0.000 2.134 437 F HA 0.032 4.559 4.527 0.000 0.000 0.299 437 F C 2.349 178.231 175.800 0.137 0.000 1.097 437 F CA 1.466 59.540 58.000 0.124 0.000 1.264 437 F CB -0.343 38.711 39.000 0.090 0.000 1.001 437 F HN 0.101 nan 8.300 nan 0.000 0.479 438 M N 0.299 119.960 119.600 0.101 0.000 2.108 438 M HA -0.221 4.259 4.480 0.000 0.000 0.261 438 M C 2.232 178.482 176.300 -0.084 0.000 1.066 438 M CA 1.705 57.010 55.300 0.008 0.000 1.107 438 M CB -1.180 31.476 32.600 0.093 0.000 1.356 438 M HN 0.114 nan 8.290 nan 0.000 0.406 439 K N -0.461 119.923 120.400 -0.026 0.000 2.097 439 K HA -0.207 4.113 4.320 0.000 0.000 0.206 439 K C 1.945 178.505 176.600 -0.067 0.000 1.049 439 K CA 1.732 58.004 56.287 -0.026 0.000 0.933 439 K CB -0.550 31.962 32.500 0.022 0.000 0.717 439 K HN 0.372 nan 8.250 nan 0.000 0.442 440 H N -0.240 118.709 119.070 -0.201 0.000 2.321 440 H HA -0.012 4.544 4.556 0.000 0.000 0.300 440 H C 1.914 177.054 175.328 -0.314 0.000 1.087 440 H CA 2.383 58.279 56.048 -0.255 0.000 1.319 440 H CB -0.116 29.448 29.762 -0.330 0.000 1.379 440 H HN 0.172 nan 8.280 nan 0.000 0.501 441 M N 0.026 119.270 119.600 -0.593 0.000 2.080 441 M HA -0.262 4.218 4.480 0.000 0.000 0.260 441 M C 2.290 178.495 176.300 -0.158 0.000 1.068 441 M CA 2.140 57.191 55.300 -0.414 0.000 1.109 441 M CB -0.140 32.284 32.600 -0.293 0.000 1.342 441 M HN 0.502 nan 8.290 nan 0.000 0.405 442 Q N -0.222 119.484 119.800 -0.157 0.000 2.050 442 Q HA -0.182 4.158 4.340 0.000 0.000 0.202 442 Q C 1.722 177.670 176.000 -0.087 0.000 0.980 442 Q CA 1.508 57.254 55.803 -0.094 0.000 0.840 442 Q CB -0.298 28.387 28.738 -0.088 0.000 0.898 442 Q HN 0.538 nan 8.270 nan 0.000 0.424 443 N N 0.665 119.284 118.700 -0.136 0.000 2.120 443 N HA -0.183 4.557 4.740 0.000 0.000 0.188 443 N C 1.664 177.068 175.510 -0.177 0.000 1.024 443 N CA 1.245 54.223 53.050 -0.119 0.000 0.852 443 N CB -0.195 38.245 38.487 -0.079 0.000 1.003 443 N HN 0.215 nan 8.380 nan 0.000 0.424 444 E N -0.005 119.995 120.200 -0.332 0.000 2.072 444 E HA -0.088 4.262 4.350 0.000 0.000 0.191 444 E C 1.631 178.056 176.600 -0.291 0.000 0.985 444 E CA 0.945 57.106 56.400 -0.397 0.000 0.801 444 E CB -0.200 29.110 29.700 -0.650 0.000 0.750 444 E HN 0.390 nan 8.360 nan 0.000 0.452 445 Y N 0.038 120.203 120.300 -0.226 0.000 2.200 445 Y HA -0.067 4.483 4.550 0.000 0.000 0.290 445 Y C 2.512 178.334 175.900 -0.131 0.000 1.137 445 Y CA 1.647 59.652 58.100 -0.157 0.000 1.163 445 Y CB -0.065 38.303 38.460 -0.153 0.000 0.988 445 Y HN -0.034 nan 8.280 nan 0.000 0.518 446 R N -0.123 120.381 120.500 0.007 0.000 2.066 446 R HA -0.145 4.195 4.340 0.000 0.000 0.232 446 R C 2.358 178.627 176.300 -0.052 0.000 1.131 446 R CA 1.235 57.322 56.100 -0.022 0.000 0.955 446 R CB -0.414 29.868 30.300 -0.029 0.000 0.851 446 R HN 0.309 nan 8.270 nan 0.000 0.432 447 A N 1.468 124.239 122.820 -0.082 0.000 1.873 447 A HA -0.163 4.157 4.320 0.000 0.000 0.215 447 A C 1.777 179.295 177.584 -0.109 0.000 1.186 447 A CA 1.690 53.673 52.037 -0.089 0.000 0.616 447 A CB -0.191 18.748 19.000 -0.102 0.000 0.823 447 A HN 0.544 nan 8.150 nan 0.000 0.442 448 R N -2.555 117.849 120.500 -0.160 0.000 2.590 448 R HA 0.411 4.751 4.340 0.000 0.000 0.410 448 R C 0.721 176.914 176.300 -0.180 0.000 1.010 448 R CA 0.448 56.453 56.100 -0.158 0.000 1.155 448 R CB -0.563 29.631 30.300 -0.177 0.000 1.455 448 R HN 0.863 nan 8.270 nan 0.000 0.567 449 G N -0.013 108.672 108.800 -0.193 0.000 2.246 449 G HA2 -0.056 3.904 3.960 0.000 0.000 0.273 449 G HA3 -0.056 3.904 3.960 0.000 0.000 0.273 449 G C 0.244 174.891 174.900 -0.422 0.000 1.055 449 G CA 0.156 45.137 45.100 -0.198 0.000 0.851 449 G HN 0.984 nan 8.290 nan 0.000 0.500 450 G N -2.566 105.716 108.800 -0.862 0.000 2.321 450 G HA2 0.558 4.518 3.960 0.000 0.000 0.298 450 G HA3 0.558 4.518 3.960 0.000 0.000 0.298 450 G C -0.858 173.538 174.900 -0.840 0.000 1.385 450 G CA 0.313 44.720 45.100 -1.155 0.000 0.856 450 G HN 1.940 nan 8.290 nan 0.000 0.584 451 C N 2.040 121.056 119.300 -0.473 0.000 2.968 451 C HA 0.622 5.082 4.460 0.000 0.000 0.389 451 C C -2.616 172.263 174.990 -0.184 0.000 1.068 451 C CA -1.043 57.830 59.018 -0.242 0.000 1.272 451 C CB 1.097 28.744 27.740 -0.155 0.000 1.711 451 C HN 0.697 nan 8.230 nan 0.000 0.501 452 P HA 0.380 nan 4.420 nan 0.000 0.267 452 P C -0.585 176.574 177.300 -0.235 0.000 1.209 452 P CA 0.670 63.297 63.100 -0.789 0.000 0.763 452 P CB 0.996 32.144 31.700 -0.920 0.000 0.816 453 A N 2.820 125.577 122.820 -0.106 0.000 2.455 453 A HA 0.436 4.756 4.320 0.000 0.000 0.300 453 A C -0.999 176.646 177.584 0.102 0.000 1.040 453 A CA -0.525 51.558 52.037 0.078 0.000 0.697 453 A CB 1.313 20.462 19.000 0.249 0.000 1.265 453 A HN 0.426 nan 8.150 nan 0.000 0.407 454 D N 2.021 122.485 120.400 0.105 0.000 2.485 454 D HA 0.141 4.781 4.640 0.000 0.000 0.229 454 D C 0.820 177.266 176.300 0.244 0.000 1.101 454 D CA -0.581 53.532 54.000 0.188 0.000 0.906 454 D CB 0.218 41.103 40.800 0.142 0.000 1.019 454 D HN 0.600 nan 8.370 nan 0.000 0.516 455 W N 4.317 125.664 121.300 0.079 0.000 2.290 455 W HA -0.260 4.400 4.660 0.000 0.000 0.311 455 W C 1.648 178.202 176.519 0.060 0.000 1.238 455 W CA 1.398 58.769 57.345 0.043 0.000 1.255 455 W CB -0.078 29.389 29.460 0.012 0.000 1.145 455 W HN 0.463 nan 8.180 nan 0.000 0.506 456 I N -1.137 119.753 120.570 0.533 0.000 2.423 456 I HA -0.286 3.884 4.170 0.000 0.000 0.254 456 I C 1.662 177.908 176.117 0.215 0.000 1.151 456 I CA 1.304 62.858 61.300 0.422 0.000 1.421 456 I CB -0.607 37.650 38.000 0.428 0.000 1.079 456 I HN 0.123 nan 8.210 nan 0.000 0.431 457 W N 0.014 121.312 121.300 -0.003 0.000 2.683 457 W HA 0.172 4.832 4.660 0.000 0.000 0.267 457 W C 2.173 178.595 176.519 -0.161 0.000 1.243 457 W CA 0.094 57.406 57.345 -0.055 0.000 1.380 457 W CB -0.268 29.186 29.460 -0.010 0.000 1.063 457 W HN -0.089 nan 8.180 nan 0.000 0.599 458 L N -0.024 121.171 121.223 -0.046 0.000 2.291 458 L HA -0.008 4.332 4.340 0.000 0.000 0.214 458 L C 0.493 177.158 176.870 -0.342 0.000 1.120 458 L CA 0.411 55.092 54.840 -0.266 0.000 0.799 458 L CB -0.786 41.022 42.059 -0.418 0.000 0.925 458 L HN -0.387 nan 8.230 nan 0.000 0.446 459 V N 1.184 120.829 119.914 -0.449 0.000 2.432 459 V HA 0.185 4.305 4.120 0.000 0.000 0.271 459 V C -1.879 174.039 176.094 -0.293 0.000 1.046 459 V CA -1.515 60.499 62.300 -0.476 0.000 0.945 459 V CB 0.603 31.902 31.823 -0.872 0.000 0.992 459 V HN 0.021 nan 8.190 nan 0.000 0.471 460 P HA 0.040 nan 4.420 nan 0.000 0.266 460 P C -1.737 175.452 177.300 -0.185 0.000 1.186 460 P CA -0.773 62.219 63.100 -0.180 0.000 0.767 460 P CB 0.088 31.724 31.700 -0.107 0.000 0.820 461 P HA -0.057 nan 4.420 nan 0.000 0.239 461 P C -0.098 177.108 177.300 -0.157 0.000 1.184 461 P CA 0.989 63.978 63.100 -0.186 0.000 0.760 461 P CB 0.101 31.674 31.700 -0.211 0.000 0.884 462 V N -6.776 113.036 119.914 -0.171 0.000 3.147 462 V HA 0.553 4.673 4.120 0.000 0.000 0.306 462 V C 0.293 176.358 176.094 -0.048 0.000 1.209 462 V CA -0.937 61.293 62.300 -0.118 0.000 1.023 462 V CB 1.311 33.048 31.823 -0.143 0.000 1.059 462 V HN -0.142 nan 8.190 nan 0.000 0.435 463 S N 0.734 116.434 115.700 0.000 0.000 3.641 463 S HA -0.188 4.282 4.470 0.000 0.000 0.346 463 S C 1.533 176.126 174.600 -0.010 0.000 1.074 463 S CA 1.282 59.508 58.200 0.043 0.000 1.026 463 S CB -1.566 61.740 63.200 0.177 0.000 0.908 463 S HN 2.090 nan 8.310 nan 0.000 0.479 464 G N 2.496 111.264 108.800 -0.054 0.000 2.777 464 G HA2 -0.344 3.616 3.960 0.000 0.000 0.217 464 G HA3 -0.344 3.616 3.960 0.000 0.000 0.217 464 G C 1.450 176.183 174.900 -0.279 0.000 1.295 464 G CA 1.677 46.739 45.100 -0.063 0.000 0.800 464 G HN 1.318 nan 8.290 nan 0.000 0.637 465 S N 0.198 115.419 115.700 -0.798 0.000 2.547 465 S HA 0.056 4.526 4.470 0.000 0.000 0.235 465 S C 2.008 176.525 174.600 -0.139 0.000 0.980 465 S CA 0.662 58.279 58.200 -0.972 0.000 0.941 465 S CB -0.035 62.480 63.200 -1.142 0.000 0.763 465 S HN 0.197 nan 8.310 nan 0.000 0.532 466 I N 1.956 122.492 120.570 -0.058 0.000 3.111 466 I HA 0.076 4.246 4.170 0.000 0.000 0.272 466 I C 0.840 177.049 176.117 0.154 0.000 1.268 466 I CA 0.523 61.869 61.300 0.077 0.000 1.467 466 I CB -1.738 36.328 38.000 0.110 0.000 1.087 466 I HN 0.255 nan 8.210 nan 0.000 0.467 467 T N 2.198 116.828 114.554 0.126 0.000 2.907 467 T HA 0.227 4.577 4.350 0.000 0.000 0.284 467 T C -1.473 173.371 174.700 0.240 0.000 1.004 467 T CA -1.028 61.161 62.100 0.149 0.000 1.063 467 T CB 2.237 71.137 68.868 0.054 0.000 0.992 467 T HN -0.079 nan 8.240 nan 0.000 0.483 468 P HA -0.075 nan 4.420 nan 0.000 0.217 468 P C 1.779 179.262 177.300 0.305 0.000 1.151 468 P CA 0.581 63.859 63.100 0.297 0.000 0.828 468 P CB -0.188 31.633 31.700 0.200 0.000 0.788 469 V N -3.035 116.998 119.914 0.199 0.000 2.568 469 V HA -0.243 3.877 4.120 0.000 0.000 0.253 469 V C 2.070 178.214 176.094 0.084 0.000 1.072 469 V CA 1.511 63.893 62.300 0.136 0.000 1.084 469 V CB -2.026 29.800 31.823 0.006 0.000 0.676 469 V HN -0.052 nan 8.190 nan 0.000 0.469 470 F N 2.446 122.330 119.950 -0.111 0.000 2.171 470 F HA -0.100 4.427 4.527 0.000 0.000 0.300 470 F C 2.085 177.981 175.800 0.161 0.000 1.090 470 F CA 2.319 60.267 58.000 -0.086 0.000 1.293 470 F CB -0.386 38.455 39.000 -0.265 0.000 1.013 470 F HN 0.350 nan 8.300 nan 0.000 0.486 471 H N -1.721 117.709 119.070 0.601 0.000 2.539 471 H HA 0.141 4.697 4.556 0.000 0.000 0.269 471 H C 0.319 175.907 175.328 0.432 0.000 0.980 471 H CA 0.163 56.521 56.048 0.516 0.000 1.152 471 H CB -0.066 29.960 29.762 0.441 0.000 1.407 471 H HN 0.127 nan 8.280 nan 0.000 0.564 472 Q N 2.112 122.175 119.800 0.439 0.000 2.331 472 Q HA 0.132 4.473 4.340 0.000 0.000 0.257 472 Q C -0.736 175.475 176.000 0.351 0.000 0.957 472 Q CA -0.388 55.611 55.803 0.328 0.000 0.923 472 Q CB 0.549 29.443 28.738 0.261 0.000 1.212 472 Q HN 0.343 nan 8.270 nan 0.000 0.443 473 E N 4.097 124.455 120.200 0.264 0.000 2.383 473 E HA 0.346 4.696 4.350 0.000 0.000 0.264 473 E C -0.339 176.379 176.600 0.197 0.000 1.050 473 E CA 0.129 56.655 56.400 0.211 0.000 0.896 473 E CB 0.692 30.502 29.700 0.183 0.000 0.982 473 E HN 0.660 nan 8.360 nan 0.000 0.424 474 M N 0.856 120.582 119.600 0.209 0.000 2.575 474 M HA 0.450 4.930 4.480 0.000 0.000 0.284 474 M C -1.522 174.896 176.300 0.196 0.000 1.253 474 M CA -1.231 54.206 55.300 0.228 0.000 0.861 474 M CB 1.214 33.990 32.600 0.294 0.000 1.733 474 M HN 0.152 nan 8.290 nan 0.000 0.462 475 L N 2.439 123.793 121.223 0.218 0.000 2.296 475 L HA 0.526 4.867 4.340 0.000 0.000 0.286 475 L C -0.640 176.321 176.870 0.151 0.000 1.023 475 L CA 0.043 55.021 54.840 0.230 0.000 0.812 475 L CB 1.383 43.634 42.059 0.321 0.000 1.223 475 L HN 0.715 nan 8.230 nan 0.000 0.421 476 N N 3.402 122.183 118.700 0.134 0.000 2.444 476 N HA 0.511 5.251 4.740 0.000 0.000 0.262 476 N C -1.605 173.706 175.510 -0.332 0.000 0.974 476 N CA -0.226 52.795 53.050 -0.049 0.000 0.933 476 N CB 0.601 39.218 38.487 0.216 0.000 1.137 476 N HN 0.395 nan 8.380 nan 0.000 0.498 477 Y N -0.107 119.857 120.300 -0.560 0.000 2.581 477 Y HA 0.563 5.113 4.550 0.000 0.000 0.337 477 Y C -1.099 174.409 175.900 -0.653 0.000 1.108 477 Y CA -1.355 56.238 58.100 -0.844 0.000 1.033 477 Y CB 0.558 38.778 38.460 -0.401 0.000 1.318 477 Y HN -0.014 nan 8.280 nan 0.000 0.459 478 V N 4.587 124.165 119.914 -0.559 0.000 2.368 478 V HA 0.308 4.428 4.120 0.000 0.000 0.266 478 V C 0.263 176.156 176.094 -0.335 0.000 1.045 478 V CA -0.296 61.633 62.300 -0.619 0.000 0.899 478 V CB 0.222 31.610 31.823 -0.724 0.000 1.006 478 V HN 0.746 nan 8.190 nan 0.000 0.470 479 L N 3.088 124.181 121.223 -0.216 0.000 2.805 479 L HA 0.721 5.061 4.340 0.000 0.000 0.242 479 L C 0.365 177.200 176.870 -0.058 0.000 1.180 479 L CA -0.441 54.366 54.840 -0.054 0.000 1.001 479 L CB 1.421 43.494 42.059 0.024 0.000 1.864 479 L HN 0.616 nan 8.230 nan 0.000 0.551 480 S N -0.023 115.680 115.700 0.006 0.000 2.566 480 S HA 0.502 4.973 4.470 0.000 0.000 0.273 480 S C -2.739 171.894 174.600 0.056 0.000 1.157 480 S CA -1.140 57.078 58.200 0.030 0.000 0.938 480 S CB 1.825 65.034 63.200 0.014 0.000 1.087 480 S HN 0.242 nan 8.310 nan 0.000 0.474 481 P HA 0.402 nan 4.420 nan 0.000 0.271 481 P C -1.018 176.243 177.300 -0.066 0.000 1.244 481 P CA -0.189 62.878 63.100 -0.055 0.000 0.793 481 P CB 0.254 31.858 31.700 -0.160 0.000 0.984 482 F N -0.503 119.235 119.950 -0.354 0.000 2.678 482 F HA 0.380 4.907 4.527 0.000 0.000 0.308 482 F C -1.598 173.887 175.800 -0.525 0.000 1.118 482 F CA -0.867 56.829 58.000 -0.508 0.000 0.959 482 F CB 1.198 39.868 39.000 -0.549 0.000 1.305 482 F HN 0.100 nan 8.300 nan 0.000 0.443 483 Y N 4.449 124.197 120.300 -0.920 0.000 2.404 483 Y HA 0.436 4.986 4.550 0.000 0.000 0.344 483 Y C -0.856 174.688 175.900 -0.592 0.000 0.970 483 Y CA -0.757 57.017 58.100 -0.544 0.000 1.180 483 Y CB 0.236 38.388 38.460 -0.514 0.000 1.138 483 Y HN 0.379 nan 8.280 nan 0.000 0.510 484 Y N 1.232 121.604 120.300 0.119 0.000 2.488 484 Y HA 0.404 4.954 4.550 0.000 0.000 0.325 484 Y C -0.296 175.654 175.900 0.083 0.000 1.204 484 Y CA -0.992 57.192 58.100 0.140 0.000 1.229 484 Y CB 0.841 39.431 38.460 0.217 0.000 1.274 484 Y HN 0.391 nan 8.280 nan 0.000 0.493 485 Y N 0.726 121.207 120.300 0.301 0.000 2.326 485 Y HA 0.361 4.911 4.550 0.000 0.000 0.324 485 Y C -0.030 175.938 175.900 0.113 0.000 1.291 485 Y CA -1.296 56.889 58.100 0.142 0.000 1.348 485 Y CB 0.798 39.312 38.460 0.090 0.000 1.294 485 Y HN 0.442 nan 8.280 nan 0.000 0.525 486 Q N 0.289 120.210 119.800 0.203 0.000 2.495 486 Q HA 0.605 4.945 4.340 0.000 0.000 0.287 486 Q C -1.375 174.588 176.000 -0.061 0.000 1.078 486 Q CA -1.044 54.794 55.803 0.057 0.000 0.793 486 Q CB 2.198 30.951 28.738 0.026 0.000 1.459 486 Q HN 0.531 nan 8.270 nan 0.000 0.422 487 I N 1.452 121.954 120.570 -0.113 0.000 2.692 487 I HA -0.025 4.145 4.170 0.000 0.000 0.284 487 I C 0.344 176.234 176.117 -0.378 0.000 1.159 487 I CA 0.050 61.226 61.300 -0.206 0.000 1.423 487 I CB 0.339 38.235 38.000 -0.174 0.000 1.380 487 I HN 0.534 nan 8.210 nan 0.000 0.580 488 E N 8.424 128.296 120.200 -0.547 0.000 2.498 488 E HA -0.046 4.304 4.350 0.000 0.000 0.252 488 E C -1.340 174.580 176.600 -1.133 0.000 1.025 488 E CA -1.064 54.712 56.400 -1.041 0.000 0.938 488 E CB 0.277 29.142 29.700 -1.392 0.000 0.947 488 E HN 0.433 nan 8.360 nan 0.000 0.478 489 P HA -0.217 nan 4.420 nan 0.000 0.217 489 P C 0.975 177.692 177.300 -0.972 0.000 1.151 489 P CA 1.634 64.089 63.100 -1.075 0.000 0.849 489 P CB -0.196 30.560 31.700 -1.573 0.000 0.787 490 W N 0.929 121.727 121.300 -0.837 0.000 2.611 490 W HA 0.105 4.765 4.660 0.000 0.000 0.251 490 W C 1.666 178.206 176.519 0.036 0.000 1.265 490 W CA 0.511 57.720 57.345 -0.226 0.000 1.295 490 W CB -1.376 28.141 29.460 0.095 0.000 1.129 490 W HN -0.078 nan 8.180 nan 0.000 0.630 491 K N 0.425 120.662 120.400 -0.271 0.000 2.262 491 K HA 0.041 4.361 4.320 0.000 0.000 0.200 491 K C 0.713 177.301 176.600 -0.020 0.000 1.049 491 K CA 1.378 57.613 56.287 -0.087 0.000 0.979 491 K CB -0.063 32.308 32.500 -0.216 0.000 0.773 491 K HN 0.162 nan 8.250 nan 0.000 0.474 492 T N -1.132 113.382 114.554 -0.066 0.000 3.466 492 T HA 0.247 4.597 4.350 0.000 0.000 0.297 492 T C -1.045 173.714 174.700 0.099 0.000 1.640 492 T CA -0.811 61.289 62.100 -0.000 0.000 1.631 492 T CB 0.029 68.859 68.868 -0.063 0.000 0.928 492 T HN 0.059 nan 8.240 nan 0.000 0.688 493 H N 0.973 120.086 119.070 0.072 0.000 2.930 493 H HA 0.645 5.201 4.556 0.000 0.000 0.371 493 H C -0.839 174.547 175.328 0.096 0.000 1.169 493 H CA -1.218 54.875 56.048 0.074 0.000 1.157 493 H CB 1.342 31.192 29.762 0.148 0.000 1.789 493 H HN 0.477 nan 8.280 nan 0.000 0.547 494 I N 2.383 122.454 120.570 -0.831 0.000 2.474 494 I HA 0.114 4.284 4.170 0.000 0.000 0.287 494 I C -0.585 175.077 176.117 -0.758 0.000 1.048 494 I CA -0.130 60.832 61.300 -0.564 0.000 1.383 494 I CB 0.803 38.533 38.000 -0.449 0.000 1.412 494 I HN 0.443 nan 8.210 nan 0.000 0.531 495 W N 6.385 127.563 121.300 -0.204 0.000 2.443 495 W HA 0.323 4.983 4.660 0.000 0.000 0.303 495 W C 0.062 176.545 176.519 -0.060 0.000 0.991 495 W CA -0.500 56.794 57.345 -0.086 0.000 1.522 495 W CB 0.858 30.321 29.460 0.005 0.000 1.315 495 W HN 0.477 nan 8.180 nan 0.000 0.419 496 Q N 0.000 119.827 119.800 0.045 0.000 2.315 496 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 496 Q CA 0.000 55.826 55.803 0.038 0.000 1.022 496 Q CB 0.000 28.720 28.738 -0.031 0.000 1.108 496 Q HN 0.000 nan 8.270 nan 0.000 0.481