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 3ebf_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 N VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.192 176.000 0.320 0.000 1.003 77 Q CA 0.000 55.871 55.803 0.113 0.000 1.022 77 Q CB 0.000 28.735 28.738 -0.004 0.000 1.108 78 Y N -2.054 118.329 120.300 0.139 0.000 2.558 78 Y HA 0.756 5.306 4.550 0.000 0.000 0.333 78 Y C -0.878 175.012 175.900 -0.017 0.000 1.125 78 Y CA -1.870 56.291 58.100 0.102 0.000 1.039 78 Y CB 1.237 39.721 38.460 0.041 0.000 1.331 78 Y HN 0.262 nan 8.280 nan 0.000 0.456 79 V N 4.063 124.058 119.914 0.135 0.000 2.407 79 V HA 0.439 4.559 4.120 0.000 0.000 0.278 79 V C 0.243 176.437 176.094 0.166 0.000 1.037 79 V CA -0.653 61.635 62.300 -0.020 0.000 0.900 79 V CB 1.073 32.726 31.823 -0.283 0.000 0.983 79 V HN 0.825 nan 8.190 nan 0.000 0.459 80 R N 4.909 125.492 120.500 0.138 0.000 2.389 80 R HA 0.418 4.758 4.340 0.000 0.000 0.295 80 R C -0.957 175.405 176.300 0.103 0.000 1.075 80 R CA -0.234 55.972 56.100 0.177 0.000 1.005 80 R CB 0.390 30.772 30.300 0.137 0.000 0.987 80 R HN 0.531 nan 8.270 nan 0.000 0.452 81 I N 3.943 124.565 120.570 0.086 0.000 2.545 81 I HA 0.352 4.522 4.170 0.000 0.000 0.292 81 I C -0.465 175.623 176.117 -0.049 0.000 1.040 81 I CA -0.621 60.693 61.300 0.024 0.000 1.068 81 I CB 1.837 39.834 38.000 -0.006 0.000 1.251 81 I HN 0.664 nan 8.210 nan 0.000 0.424 82 K N 4.082 124.445 120.400 -0.061 0.000 2.375 82 K HA 0.430 4.750 4.320 0.000 0.000 0.249 82 K C -1.039 175.461 176.600 -0.166 0.000 0.942 82 K CA -0.634 55.521 56.287 -0.220 0.000 0.806 82 K CB 2.246 34.448 32.500 -0.496 0.000 1.227 82 K HN 0.612 nan 8.250 nan 0.000 0.430 83 N N 2.989 121.578 118.700 -0.184 0.000 2.444 83 N HA 0.226 4.966 4.740 0.000 0.000 0.262 83 N C -0.539 174.944 175.510 -0.046 0.000 0.974 83 N CA -0.653 52.403 53.050 0.011 0.000 0.933 83 N CB 0.566 39.067 38.487 0.025 0.000 1.137 83 N HN 0.544 nan 8.380 nan 0.000 0.498 84 W N 2.102 123.487 121.300 0.142 0.000 3.180 84 W HA 0.300 4.960 4.660 0.000 0.000 0.254 84 W C 1.828 178.405 176.519 0.095 0.000 1.318 84 W CA -0.366 57.056 57.345 0.129 0.000 1.608 84 W CB 0.319 29.880 29.460 0.169 0.000 1.124 84 W HN 0.673 nan 8.180 nan 0.000 0.694 85 G N -0.526 108.413 108.800 0.233 0.000 2.545 85 G HA2 -0.107 3.853 3.960 0.000 0.000 0.212 85 G HA3 -0.107 3.853 3.960 0.000 0.000 0.212 85 G C 1.465 176.376 174.900 0.019 0.000 1.144 85 G CA 1.080 46.200 45.100 0.033 0.000 0.813 85 G HN 0.251 nan 8.290 nan 0.000 0.531 86 S N -1.833 113.880 115.700 0.022 0.000 2.549 86 S HA 0.396 4.866 4.470 0.000 0.000 0.225 86 S C 1.833 176.408 174.600 -0.041 0.000 1.039 86 S CA 1.045 59.238 58.200 -0.012 0.000 0.942 86 S CB 0.501 63.691 63.200 -0.016 0.000 0.881 86 S HN 1.444 nan 8.310 nan 0.000 0.503 87 G N 1.237 109.993 108.800 -0.074 0.000 2.205 87 G HA2 -0.281 3.679 3.960 0.000 0.000 0.261 87 G HA3 -0.281 3.679 3.960 0.000 0.000 0.261 87 G C -0.141 174.657 174.900 -0.170 0.000 0.980 87 G CA 0.301 45.311 45.100 -0.149 0.000 0.632 87 G HN 0.615 nan 8.290 nan 0.000 0.533 88 E N 0.491 120.613 120.200 -0.130 0.000 2.442 88 E HA 0.313 4.663 4.350 0.000 0.000 0.262 88 E C 0.410 176.909 176.600 -0.167 0.000 1.004 88 E CA -0.011 56.310 56.400 -0.133 0.000 0.928 88 E CB 0.415 30.050 29.700 -0.108 0.000 0.937 88 E HN 0.245 nan 8.360 nan 0.000 0.446 89 I N 4.178 124.651 120.570 -0.162 0.000 2.562 89 I HA 0.391 4.561 4.170 0.000 0.000 0.301 89 I C 0.000 176.002 176.117 -0.193 0.000 1.003 89 I CA -0.510 60.700 61.300 -0.150 0.000 1.127 89 I CB 1.085 39.031 38.000 -0.090 0.000 1.304 89 I HN 0.427 nan 8.210 nan 0.000 0.446 90 L N 4.742 125.865 121.223 -0.166 0.000 2.388 90 L HA 0.472 4.812 4.340 0.000 0.000 0.264 90 L C -0.680 176.222 176.870 0.053 0.000 0.998 90 L CA -0.681 54.019 54.840 -0.234 0.000 0.817 90 L CB 2.552 44.260 42.059 -0.584 0.000 1.338 90 L HN 0.543 nan 8.230 nan 0.000 0.414 91 H N 1.112 120.144 119.070 -0.063 0.000 2.551 91 H HA 0.199 4.755 4.556 0.000 0.000 0.321 91 H C -1.179 174.286 175.328 0.227 0.000 1.028 91 H CA -0.787 55.236 56.048 -0.041 0.000 1.215 91 H CB 2.234 31.693 29.762 -0.506 0.000 1.414 91 H HN 0.422 nan 8.280 nan 0.000 0.480 92 D N 2.660 123.313 120.400 0.421 0.000 2.274 92 D HA 0.043 4.683 4.640 0.000 0.000 0.239 92 D C 0.723 177.197 176.300 0.291 0.000 1.104 92 D CA -0.149 54.070 54.000 0.364 0.000 0.840 92 D CB 1.478 42.467 40.800 0.314 0.000 1.100 92 D HN 0.728 nan 8.370 nan 0.000 0.477 93 T N 0.907 115.575 114.554 0.190 0.000 2.958 93 T HA -0.032 4.318 4.350 0.000 0.000 0.256 93 T C 1.787 176.420 174.700 -0.112 0.000 0.983 93 T CA -0.262 61.894 62.100 0.093 0.000 0.924 93 T CB 0.053 69.029 68.868 0.179 0.000 1.136 93 T HN 0.233 nan 8.240 nan 0.000 0.506 94 L N 3.320 124.501 121.223 -0.070 0.000 2.191 94 L HA -0.077 4.263 4.340 0.000 0.000 0.212 94 L C 2.516 179.173 176.870 -0.354 0.000 1.103 94 L CA 1.870 56.635 54.840 -0.124 0.000 0.769 94 L CB -0.933 41.106 42.059 -0.034 0.000 0.908 94 L HN 0.587 nan 8.230 nan 0.000 0.438 95 H N -2.447 116.156 119.070 -0.778 0.000 2.518 95 H HA -0.182 4.374 4.556 0.000 0.000 0.289 95 H C 1.721 176.700 175.328 -0.582 0.000 1.051 95 H CA 1.827 57.125 56.048 -1.250 0.000 1.280 95 H CB -1.111 27.967 29.762 -1.140 0.000 1.380 95 H HN 0.581 nan 8.280 nan 0.000 0.566 96 H N 1.232 119.784 119.070 -0.863 0.000 2.456 96 H HA 0.022 4.578 4.556 0.000 0.000 0.296 96 H C 1.499 176.653 175.328 -0.288 0.000 1.079 96 H CA 1.018 56.732 56.048 -0.556 0.000 1.322 96 H CB 0.311 29.811 29.762 -0.436 0.000 1.388 96 H HN 0.363 nan 8.280 nan 0.000 0.538 97 K N 0.817 121.137 120.400 -0.133 0.000 2.458 97 K HA 0.216 4.536 4.320 0.000 0.000 0.194 97 K C 0.529 177.094 176.600 -0.058 0.000 1.024 97 K CA -0.135 56.115 56.287 -0.062 0.000 1.108 97 K CB 0.650 33.131 32.500 -0.032 0.000 0.846 97 K HN 0.151 nan 8.250 nan 0.000 0.518 98 A N 1.851 124.606 122.820 -0.108 0.000 2.466 98 A HA 0.101 4.421 4.320 0.000 0.000 0.238 98 A C 1.049 178.606 177.584 -0.046 0.000 1.074 98 A CA -0.117 51.879 52.037 -0.069 0.000 0.774 98 A CB 0.146 19.091 19.000 -0.092 0.000 1.015 98 A HN 0.363 nan 8.150 nan 0.000 0.498 99 T N 0.131 114.648 114.554 -0.062 0.000 3.560 99 T HA 0.367 4.717 4.350 0.000 0.000 0.350 99 T C 1.238 175.939 174.700 0.002 0.000 1.264 99 T CA 0.366 62.446 62.100 -0.033 0.000 0.924 99 T CB -0.539 68.290 68.868 -0.064 0.000 1.997 99 T HN 0.609 nan 8.240 nan 0.000 0.553 100 S N 0.871 116.584 115.700 0.021 0.000 2.612 100 S HA 0.072 4.542 4.470 0.000 0.000 0.236 100 S C 0.495 175.138 174.600 0.073 0.000 1.395 100 S CA -0.343 57.885 58.200 0.045 0.000 1.010 100 S CB -0.533 62.695 63.200 0.047 0.000 0.829 100 S HN 0.726 nan 8.310 nan 0.000 0.491 101 D N 0.154 120.607 120.400 0.089 0.000 2.354 101 D HA 0.287 4.927 4.640 0.000 0.000 0.238 101 D C -0.788 175.649 176.300 0.228 0.000 1.250 101 D CA 0.571 54.646 54.000 0.125 0.000 0.911 101 D CB 0.272 41.123 40.800 0.086 0.000 1.163 101 D HN 0.269 nan 8.370 nan 0.000 0.456 102 F N 0.315 120.280 119.950 0.025 0.000 2.915 102 F HA 0.103 4.630 4.527 0.000 0.000 0.350 102 F C 0.704 176.527 175.800 0.038 0.000 1.248 102 F CA -0.428 57.588 58.000 0.027 0.000 1.084 102 F CB 0.317 39.333 39.000 0.027 0.000 1.391 102 F HN 0.447 nan 8.300 nan 0.000 0.548 103 T N 1.351 115.678 114.554 -0.379 0.000 13.229 103 T HA -0.390 3.960 4.350 0.000 0.000 0.419 103 T C 0.841 175.406 174.700 -0.225 0.000 1.441 103 T CA 1.962 63.825 62.100 -0.394 0.000 2.359 103 T CB -1.755 66.686 68.868 -0.712 0.000 2.807 103 T HN 0.773 nan 8.240 nan 0.000 0.623 104 C N 4.055 123.204 119.300 -0.251 0.000 2.494 104 C HA 0.159 4.619 4.460 0.000 0.000 0.399 104 C C 1.851 176.811 174.990 -0.052 0.000 1.388 104 C CA 0.132 59.081 59.018 -0.114 0.000 1.657 104 C CB -0.493 27.198 27.740 -0.082 0.000 2.585 104 C HN 0.595 nan 8.230 nan 0.000 0.601 105 K N 1.567 121.949 120.400 -0.030 0.000 3.554 105 K HA 0.181 4.501 4.320 0.000 0.000 0.183 105 K C 1.289 177.889 176.600 0.000 0.000 1.147 105 K CA 0.146 56.427 56.287 -0.010 0.000 1.595 105 K CB -0.117 32.377 32.500 -0.009 0.000 2.206 105 K HN 0.647 nan 8.250 nan 0.000 0.543 106 S N -0.106 115.595 115.700 0.001 0.000 3.325 106 S HA 0.093 4.563 4.470 0.000 0.000 0.254 106 S C 1.384 175.984 174.600 -0.000 0.000 1.084 106 S CA -0.072 58.130 58.200 0.004 0.000 0.786 106 S CB 0.293 63.497 63.200 0.007 0.000 0.849 106 S HN 0.216 nan 8.310 nan 0.000 0.483 107 K N 2.130 122.529 120.400 -0.002 0.000 2.459 107 K HA 0.192 4.512 4.320 0.000 0.000 0.193 107 K C 0.112 176.708 176.600 -0.008 0.000 1.030 107 K CA 0.426 56.711 56.287 -0.004 0.000 1.026 107 K CB 0.238 32.736 32.500 -0.003 0.000 0.809 107 K HN 0.411 nan 8.250 nan 0.000 0.504 108 S N -0.625 115.069 115.700 -0.010 0.000 2.546 108 S HA 0.341 4.811 4.470 0.000 0.000 0.274 108 S C -0.869 173.718 174.600 -0.021 0.000 1.121 108 S CA -1.214 56.977 58.200 -0.015 0.000 0.887 108 S CB 1.680 64.872 63.200 -0.013 0.000 1.094 108 S HN 0.177 nan 8.310 nan 0.000 0.474 109 C N 3.748 123.033 119.300 -0.025 0.000 2.341 109 C HA 0.699 5.160 4.460 0.000 0.000 0.338 109 C C 0.344 175.312 174.990 -0.036 0.000 1.257 109 C CA -0.823 58.174 59.018 -0.034 0.000 1.883 109 C CB -0.803 26.918 27.740 -0.031 0.000 2.334 109 C HN 0.916 nan 8.230 nan 0.000 0.524 110 L N 5.761 126.950 121.223 -0.057 0.000 3.218 110 L HA 0.311 4.651 4.340 0.000 0.000 0.279 110 L C 1.886 178.726 176.870 -0.050 0.000 1.287 110 L CA 0.147 54.958 54.840 -0.048 0.000 1.024 110 L CB -0.377 41.645 42.059 -0.062 0.000 1.409 110 L HN 0.993 nan 8.230 nan 0.000 0.580 111 G N 0.943 109.722 108.800 -0.035 0.000 2.450 111 G HA2 -0.287 3.673 3.960 0.000 0.000 0.220 111 G HA3 -0.287 3.673 3.960 0.000 0.000 0.220 111 G C 1.487 176.431 174.900 0.073 0.000 1.130 111 G CA 1.256 46.358 45.100 0.003 0.000 0.760 111 G HN 0.527 nan 8.290 nan 0.000 0.557 112 S N -0.096 115.646 115.700 0.071 0.000 2.671 112 S HA 0.330 4.800 4.470 0.000 0.000 0.220 112 S C 0.642 175.311 174.600 0.116 0.000 0.951 112 S CA -0.560 57.707 58.200 0.112 0.000 0.932 112 S CB -0.047 63.202 63.200 0.081 0.000 0.777 112 S HN 0.039 nan 8.310 nan 0.000 0.508 113 I N 2.643 123.268 120.570 0.092 0.000 2.396 113 I HA 0.194 4.364 4.170 0.000 0.000 0.289 113 I C 1.603 177.810 176.117 0.150 0.000 1.056 113 I CA -0.161 61.192 61.300 0.089 0.000 1.365 113 I CB 0.327 38.353 38.000 0.043 0.000 1.407 113 I HN 0.301 nan 8.210 nan 0.000 0.509 114 M N 4.690 124.389 119.600 0.166 0.000 2.067 114 M HA -0.125 4.355 4.480 0.000 0.000 0.260 114 M C 0.257 176.651 176.300 0.158 0.000 1.069 114 M CA 1.616 57.055 55.300 0.232 0.000 1.117 114 M CB -0.201 32.509 32.600 0.183 0.000 1.334 114 M HN 0.515 nan 8.290 nan 0.000 0.407 115 N N 1.175 119.919 118.700 0.074 0.000 2.918 115 N HA 0.317 5.057 4.740 0.000 0.000 0.270 115 N C -2.453 173.118 175.510 0.101 0.000 1.536 115 N CA -0.759 52.318 53.050 0.046 0.000 0.877 115 N CB 0.560 38.989 38.487 -0.096 0.000 1.190 115 N HN 0.258 nan 8.380 nan 0.000 0.492 116 P HA 0.233 nan 4.420 nan 0.000 0.277 116 P C 0.590 177.972 177.300 0.136 0.000 1.240 116 P CA -0.349 62.806 63.100 0.093 0.000 0.798 116 P CB 2.034 33.756 31.700 0.036 0.000 0.979 117 K N 0.657 121.114 120.400 0.094 0.000 2.152 117 K HA -0.123 4.197 4.320 0.000 0.000 0.206 117 K C 2.024 178.715 176.600 0.152 0.000 1.048 117 K CA 2.011 58.361 56.287 0.103 0.000 0.933 117 K CB -0.421 32.114 32.500 0.060 0.000 0.721 117 K HN 0.565 nan 8.250 nan 0.000 0.447 118 S N 0.825 116.624 115.700 0.164 0.000 2.469 118 S HA -0.090 4.380 4.470 0.000 0.000 0.238 118 S C 1.598 176.417 174.600 0.365 0.000 0.998 118 S CA 0.876 59.233 58.200 0.261 0.000 0.957 118 S CB -0.213 63.176 63.200 0.315 0.000 0.764 118 S HN 0.244 nan 8.310 nan 0.000 0.514 119 L N 0.876 122.317 121.223 0.363 0.000 2.728 119 L HA 0.307 4.647 4.340 0.000 0.000 0.238 119 L C -0.133 177.037 176.870 0.500 0.000 1.143 119 L CA -0.081 55.003 54.840 0.406 0.000 0.937 119 L CB 0.375 42.612 42.059 0.297 0.000 1.225 119 L HN 0.172 nan 8.230 nan 0.000 0.507 120 T N -0.026 114.776 114.554 0.413 0.000 2.829 120 T HA 0.463 4.813 4.350 0.000 0.000 0.280 120 T C -0.521 174.236 174.700 0.096 0.000 0.999 120 T CA -0.459 61.824 62.100 0.304 0.000 0.983 120 T CB 2.289 71.280 68.868 0.205 0.000 0.968 120 T HN -0.092 nan 8.240 nan 0.000 0.446 121 R N 1.862 122.363 120.500 0.001 0.000 2.358 121 R HA 0.598 4.938 4.340 0.000 0.000 0.309 121 R C 0.445 176.698 176.300 -0.079 0.000 1.026 121 R CA -0.418 55.562 56.100 -0.200 0.000 0.909 121 R CB 0.272 30.304 30.300 -0.448 0.000 1.153 121 R HN 0.824 nan 8.270 nan 0.000 0.515 122 G N 3.463 112.220 108.800 -0.072 0.000 2.553 122 G HA2 0.327 4.287 3.960 0.000 0.000 0.278 122 G HA3 0.327 4.287 3.960 0.000 0.000 0.278 122 G C -2.022 172.841 174.900 -0.061 0.000 1.349 122 G CA -0.862 44.203 45.100 -0.059 0.000 1.037 122 G HN 0.593 nan 8.290 nan 0.000 0.508 123 P HA 0.385 nan 4.420 nan 0.000 0.276 123 P C -0.713 176.561 177.300 -0.044 0.000 1.252 123 P CA -0.336 62.733 63.100 -0.052 0.000 0.802 123 P CB 1.580 33.244 31.700 -0.061 0.000 1.035 124 R N 0.215 120.693 120.500 -0.037 0.000 2.912 124 R HA 0.381 4.721 4.340 0.000 0.000 0.262 124 R C -0.083 176.200 176.300 -0.029 0.000 1.057 124 R CA -0.487 55.595 56.100 -0.029 0.000 0.981 124 R CB 1.064 31.350 30.300 -0.024 0.000 1.201 124 R HN 0.441 nan 8.270 nan 0.000 0.484 125 D N -1.030 119.357 120.400 -0.022 0.000 2.525 125 D HA 0.156 4.796 4.640 0.000 0.000 0.231 125 D C -0.487 175.808 176.300 -0.010 0.000 1.216 125 D CA -0.140 53.845 54.000 -0.025 0.000 0.813 125 D CB 0.610 41.394 40.800 -0.026 0.000 1.108 125 D HN 0.142 nan 8.370 nan 0.000 0.524 126 K N 0.117 120.516 120.400 -0.002 0.000 2.508 126 K HA 0.522 4.842 4.320 0.000 0.000 0.260 126 K C -2.881 173.726 176.600 0.012 0.000 0.949 126 K CA -2.042 54.250 56.287 0.009 0.000 0.834 126 K CB 2.358 34.862 32.500 0.007 0.000 1.365 126 K HN -0.206 nan 8.250 nan 0.000 0.437 127 P HA -0.007 nan 4.420 nan 0.000 0.272 127 P C -0.693 176.617 177.300 0.017 0.000 1.248 127 P CA -0.169 62.944 63.100 0.021 0.000 0.799 127 P CB 0.335 32.052 31.700 0.028 0.000 0.997 128 T N 2.316 116.881 114.554 0.019 0.000 2.851 128 T HA 0.235 4.585 4.350 0.000 0.000 0.298 128 T C -2.161 172.559 174.700 0.033 0.000 0.977 128 T CA -0.855 61.261 62.100 0.026 0.000 1.126 128 T CB -0.336 68.554 68.868 0.037 0.000 0.916 128 T HN 0.268 nan 8.240 nan 0.000 0.529 129 P HA 0.054 nan 4.420 nan 0.000 0.262 129 P C 0.607 177.922 177.300 0.026 0.000 1.182 129 P CA -0.243 62.870 63.100 0.023 0.000 0.761 129 P CB 0.396 32.105 31.700 0.016 0.000 0.795 130 L N 3.567 124.804 121.223 0.023 0.000 2.127 130 L HA -0.214 4.126 4.340 0.000 0.000 0.211 130 L C 2.299 179.170 176.870 0.003 0.000 1.089 130 L CA 1.736 56.589 54.840 0.021 0.000 0.757 130 L CB -1.169 40.901 42.059 0.018 0.000 0.899 130 L HN 0.505 nan 8.230 nan 0.000 0.434 131 E N -0.043 120.153 120.200 -0.006 0.000 2.204 131 E HA -0.226 4.124 4.350 0.000 0.000 0.195 131 E C 1.459 178.027 176.600 -0.053 0.000 0.990 131 E CA 1.431 57.816 56.400 -0.026 0.000 0.821 131 E CB -0.261 29.426 29.700 -0.021 0.000 0.750 131 E HN 0.662 nan 8.360 nan 0.000 0.477 132 E N 0.508 120.686 120.200 -0.035 0.000 2.099 132 E HA -0.010 4.340 4.350 0.000 0.000 0.191 132 E C 2.228 178.795 176.600 -0.055 0.000 0.962 132 E CA 0.193 56.551 56.400 -0.069 0.000 0.826 132 E CB -0.185 29.534 29.700 0.031 0.000 0.788 132 E HN 0.076 nan 8.360 nan 0.000 0.461 133 L N 1.743 122.998 121.223 0.053 0.000 1.970 133 L HA -0.172 4.168 4.340 0.000 0.000 0.212 133 L C 2.326 179.244 176.870 0.081 0.000 1.071 133 L CA 1.382 56.297 54.840 0.125 0.000 0.751 133 L CB -0.644 41.490 42.059 0.126 0.000 0.889 133 L HN 0.131 nan 8.230 nan 0.000 0.432 134 L N 0.117 121.348 121.223 0.015 0.000 1.997 134 L HA -0.166 4.174 4.340 0.000 0.000 0.216 134 L C -0.469 176.383 176.870 -0.030 0.000 1.074 134 L CA 2.383 57.210 54.840 -0.021 0.000 0.763 134 L CB -1.953 40.087 42.059 -0.031 0.000 0.890 134 L HN 0.199 nan 8.230 nan 0.000 0.434 135 P HA -0.162 nan 4.420 nan 0.000 0.215 135 P C 1.322 178.612 177.300 -0.018 0.000 1.157 135 P CA 1.716 64.756 63.100 -0.100 0.000 0.868 135 P CB -0.256 31.312 31.700 -0.220 0.000 0.788 136 H N -0.696 118.417 119.070 0.072 0.000 2.353 136 H HA 0.021 4.577 4.556 0.000 0.000 0.300 136 H C 1.986 177.413 175.328 0.165 0.000 1.090 136 H CA 1.518 57.633 56.048 0.112 0.000 1.327 136 H CB -1.074 28.751 29.762 0.106 0.000 1.383 136 H HN 0.053 nan 8.280 nan 0.000 0.508 137 A N 1.610 124.577 122.820 0.244 0.000 1.883 137 A HA -0.134 4.186 4.320 0.000 0.000 0.217 137 A C 2.478 180.142 177.584 0.132 0.000 1.186 137 A CA 1.401 53.527 52.037 0.148 0.000 0.624 137 A CB -0.541 18.317 19.000 -0.237 0.000 0.822 137 A HN 0.202 nan 8.150 nan 0.000 0.444 138 I N 0.166 120.780 120.570 0.073 0.000 2.226 138 I HA -0.238 3.932 4.170 0.000 0.000 0.245 138 I C 2.343 178.543 176.117 0.138 0.000 1.100 138 I CA 1.715 63.061 61.300 0.078 0.000 1.374 138 I CB -1.731 36.293 38.000 0.040 0.000 1.057 138 I HN 0.487 nan 8.210 nan 0.000 0.413 139 E N 0.381 120.682 120.200 0.169 0.000 2.058 139 E HA -0.266 4.084 4.350 0.000 0.000 0.194 139 E C 2.163 178.901 176.600 0.230 0.000 0.997 139 E CA 1.432 57.944 56.400 0.187 0.000 0.801 139 E CB -0.362 29.466 29.700 0.214 0.000 0.746 139 E HN 0.390 nan 8.360 nan 0.000 0.450 140 F N 1.776 121.826 119.950 0.167 0.000 2.102 140 F HA -0.202 4.325 4.527 0.000 0.000 0.298 140 F C 1.973 177.893 175.800 0.200 0.000 1.105 140 F CA 1.077 59.195 58.000 0.196 0.000 1.239 140 F CB -0.135 38.999 39.000 0.223 0.000 0.991 140 F HN -0.075 nan 8.300 nan 0.000 0.474 141 I N 1.040 121.582 120.570 -0.048 0.000 2.208 141 I HA -0.327 3.843 4.170 0.000 0.000 0.245 141 I C 2.072 178.160 176.117 -0.049 0.000 1.097 141 I CA 1.312 62.558 61.300 -0.090 0.000 1.363 141 I CB -1.626 36.453 38.000 0.131 0.000 1.051 141 I HN 0.262 nan 8.210 nan 0.000 0.413 142 N N 0.699 119.428 118.700 0.047 0.000 2.166 142 N HA -0.232 4.508 4.740 0.000 0.000 0.186 142 N C 1.854 177.314 175.510 -0.083 0.000 1.019 142 N CA 1.085 54.168 53.050 0.056 0.000 0.856 142 N CB -0.331 38.252 38.487 0.161 0.000 0.993 142 N HN 0.558 nan 8.380 nan 0.000 0.426 143 Q N -0.113 119.644 119.800 -0.071 0.000 2.079 143 Q HA -0.183 4.157 4.340 0.000 0.000 0.200 143 Q C 2.057 177.865 176.000 -0.321 0.000 0.974 143 Q CA 1.092 56.857 55.803 -0.063 0.000 0.840 143 Q CB -0.221 28.599 28.738 0.136 0.000 0.898 143 Q HN 0.459 nan 8.270 nan 0.000 0.430 144 Y N -0.153 119.703 120.300 -0.740 0.000 2.070 144 Y HA -0.308 4.242 4.550 0.000 0.000 0.280 144 Y C 1.601 176.728 175.900 -1.288 0.000 1.148 144 Y CA 2.086 59.374 58.100 -1.353 0.000 1.125 144 Y CB -0.389 37.296 38.460 -1.292 0.000 0.975 144 Y HN 0.180 nan 8.280 nan 0.000 0.492 145 Y N -0.007 119.836 120.300 -0.762 0.000 2.421 145 Y HA -0.031 4.519 4.550 0.000 0.000 0.292 145 Y C 2.549 178.173 175.900 -0.461 0.000 1.136 145 Y CA 1.161 58.927 58.100 -0.558 0.000 1.255 145 Y CB -0.795 37.304 38.460 -0.601 0.000 0.991 145 Y HN 0.261 nan 8.280 nan 0.000 0.552 146 G N -1.192 107.399 108.800 -0.348 0.000 2.484 146 G HA2 -0.205 3.755 3.960 0.000 0.000 0.218 146 G HA3 -0.205 3.755 3.960 0.000 0.000 0.218 146 G C 1.759 176.495 174.900 -0.274 0.000 1.130 146 G CA 0.955 45.941 45.100 -0.190 0.000 0.784 146 G HN 0.459 nan 8.290 nan 0.000 0.543 147 S N 0.016 115.370 115.700 -0.576 0.000 2.481 147 S HA 0.188 4.658 4.470 0.000 0.000 0.231 147 S C 0.621 174.944 174.600 -0.463 0.000 0.996 147 S CA -0.354 57.539 58.200 -0.511 0.000 0.942 147 S CB -0.347 62.457 63.200 -0.660 0.000 0.768 147 S HN 0.024 nan 8.310 nan 0.000 0.520 148 F N 2.745 122.517 119.950 -0.296 0.000 2.529 148 F HA 0.390 4.917 4.527 0.000 0.000 0.365 148 F C 1.582 177.315 175.800 -0.112 0.000 1.102 148 F CA -0.959 56.913 58.000 -0.215 0.000 1.271 148 F CB 0.625 39.492 39.000 -0.222 0.000 1.120 148 F HN 0.028 nan 8.300 nan 0.000 0.579 149 K N 1.188 121.658 120.400 0.117 0.000 2.097 149 K HA -0.119 4.201 4.320 0.000 0.000 0.205 149 K C 0.251 176.884 176.600 0.055 0.000 1.050 149 K CA 1.211 57.532 56.287 0.058 0.000 0.938 149 K CB 0.087 32.611 32.500 0.039 0.000 0.718 149 K HN 0.718 nan 8.250 nan 0.000 0.442 150 E N 0.629 120.865 120.200 0.060 0.000 2.183 150 E HA 0.295 4.645 4.350 0.000 0.000 0.250 150 E C -1.168 175.450 176.600 0.029 0.000 0.901 150 E CA -0.606 55.809 56.400 0.025 0.000 0.741 150 E CB 1.155 30.850 29.700 -0.008 0.000 1.182 150 E HN 0.353 nan 8.360 nan 0.000 0.425 151 A N 4.429 127.287 122.820 0.062 0.000 2.567 151 A HA 0.003 4.323 4.320 0.000 0.000 0.236 151 A C -0.014 177.589 177.584 0.032 0.000 1.088 151 A CA 0.531 52.624 52.037 0.093 0.000 0.776 151 A CB 0.292 19.346 19.000 0.091 0.000 1.033 151 A HN 0.725 nan 8.150 nan 0.000 0.513 152 K N 1.504 121.945 120.400 0.068 0.000 3.050 152 K HA 0.278 4.598 4.320 0.000 0.000 0.185 152 K C 0.262 176.873 176.600 0.019 0.000 1.147 152 K CA -0.150 56.142 56.287 0.009 0.000 0.916 152 K CB 0.536 33.005 32.500 -0.052 0.000 1.119 152 K HN 0.638 nan 8.250 nan 0.000 0.605 153 I N 0.408 120.988 120.570 0.017 0.000 2.248 153 I HA -0.347 3.823 4.170 0.000 0.000 0.248 153 I C 2.382 178.446 176.117 -0.089 0.000 1.107 153 I CA 1.573 62.861 61.300 -0.021 0.000 1.373 153 I CB -0.062 37.915 38.000 -0.038 0.000 1.055 153 I HN 0.590 nan 8.210 nan 0.000 0.418 154 E N 1.313 121.470 120.200 -0.073 0.000 2.051 154 E HA -0.241 4.109 4.350 0.000 0.000 0.192 154 E C 2.075 178.614 176.600 -0.102 0.000 0.991 154 E CA 1.404 57.758 56.400 -0.078 0.000 0.799 154 E CB 0.063 29.732 29.700 -0.052 0.000 0.748 154 E HN 0.510 nan 8.360 nan 0.000 0.449 155 E N -0.580 119.557 120.200 -0.106 0.000 2.072 155 E HA -0.227 4.123 4.350 0.000 0.000 0.191 155 E C 2.093 178.449 176.600 -0.407 0.000 0.985 155 E CA 1.107 57.435 56.400 -0.121 0.000 0.801 155 E CB -0.320 29.403 29.700 0.038 0.000 0.750 155 E HN 0.489 nan 8.360 nan 0.000 0.452 156 H N 0.640 119.190 119.070 -0.867 0.000 2.289 156 H HA -0.140 4.416 4.556 0.000 0.000 0.296 156 H C 2.204 177.230 175.328 -0.504 0.000 1.091 156 H CA 0.908 56.242 56.048 -1.191 0.000 1.274 156 H CB 0.196 29.555 29.762 -0.671 0.000 1.364 156 H HN 0.054 nan 8.280 nan 0.000 0.490 157 L N 0.548 121.623 121.223 -0.247 0.000 2.046 157 L HA -0.131 4.209 4.340 0.000 0.000 0.208 157 L C 2.961 179.762 176.870 -0.115 0.000 1.077 157 L CA 1.442 56.160 54.840 -0.204 0.000 0.747 157 L CB -1.562 40.392 42.059 -0.176 0.000 0.896 157 L HN 0.454 nan 8.230 nan 0.000 0.432 158 A N -0.022 122.738 122.820 -0.099 0.000 1.883 158 A HA -0.270 4.050 4.320 0.000 0.000 0.217 158 A C 2.411 179.986 177.584 -0.014 0.000 1.186 158 A CA 1.924 53.933 52.037 -0.047 0.000 0.624 158 A CB -0.504 18.478 19.000 -0.030 0.000 0.822 158 A HN 0.293 nan 8.150 nan 0.000 0.444 159 R N 0.043 120.539 120.500 -0.006 0.000 2.081 159 R HA -0.027 4.314 4.340 0.000 0.000 0.235 159 R C 1.935 178.273 176.300 0.064 0.000 1.131 159 R CA 1.661 57.810 56.100 0.082 0.000 0.960 159 R CB -0.989 29.447 30.300 0.227 0.000 0.856 159 R HN 0.532 nan 8.270 nan 0.000 0.436 160 L N 0.251 121.498 121.223 0.041 0.000 2.013 160 L HA -0.219 4.121 4.340 0.000 0.000 0.212 160 L C 2.596 179.459 176.870 -0.011 0.000 1.073 160 L CA 2.180 57.035 54.840 0.024 0.000 0.753 160 L CB -0.572 41.484 42.059 -0.005 0.000 0.890 160 L HN 0.437 nan 8.230 nan 0.000 0.432 161 E N 0.106 120.295 120.200 -0.019 0.000 2.072 161 E HA -0.229 4.122 4.350 0.000 0.000 0.191 161 E C 2.208 178.804 176.600 -0.005 0.000 0.985 161 E CA 1.103 57.492 56.400 -0.019 0.000 0.801 161 E CB -0.012 29.675 29.700 -0.022 0.000 0.750 161 E HN 0.445 nan 8.360 nan 0.000 0.452 162 A N 0.638 123.465 122.820 0.011 0.000 1.902 162 A HA -0.145 4.175 4.320 0.000 0.000 0.217 162 A C 2.402 180.003 177.584 0.028 0.000 1.181 162 A CA 1.549 53.603 52.037 0.029 0.000 0.623 162 A CB -0.694 18.336 19.000 0.051 0.000 0.818 162 A HN 0.237 nan 8.150 nan 0.000 0.443 163 V N -0.186 119.731 119.914 0.004 0.000 2.295 163 V HA -0.230 3.890 4.120 0.000 0.000 0.246 163 V C 2.747 178.788 176.094 -0.089 0.000 1.049 163 V CA 2.456 64.714 62.300 -0.070 0.000 1.024 163 V CB -1.384 30.313 31.823 -0.211 0.000 0.648 163 V HN 0.622 nan 8.190 nan 0.000 0.447 164 T N -0.289 114.224 114.554 -0.068 0.000 2.652 164 T HA -0.238 4.112 4.350 0.000 0.000 0.267 164 T C 2.024 176.715 174.700 -0.016 0.000 1.039 164 T CA 1.647 63.718 62.100 -0.049 0.000 1.153 164 T CB -0.296 68.550 68.868 -0.036 0.000 0.863 164 T HN 0.261 nan 8.240 nan 0.000 0.428 165 K N 1.185 121.583 120.400 -0.002 0.000 2.063 165 K HA -0.049 4.271 4.320 0.000 0.000 0.208 165 K C 2.236 178.853 176.600 0.028 0.000 1.048 165 K CA 1.255 57.549 56.287 0.012 0.000 0.928 165 K CB -0.433 32.075 32.500 0.014 0.000 0.713 165 K HN 0.483 nan 8.250 nan 0.000 0.442 166 E N 0.090 120.316 120.200 0.043 0.000 2.077 166 E HA -0.139 4.211 4.350 0.000 0.000 0.193 166 E C 1.884 178.533 176.600 0.082 0.000 0.989 166 E CA 1.034 57.480 56.400 0.076 0.000 0.800 166 E CB -0.042 29.733 29.700 0.125 0.000 0.746 166 E HN 0.236 nan 8.360 nan 0.000 0.452 167 I N 0.971 121.581 120.570 0.067 0.000 2.226 167 I HA -0.262 3.908 4.170 0.000 0.000 0.245 167 I C 2.176 178.321 176.117 0.047 0.000 1.100 167 I CA 1.235 62.577 61.300 0.070 0.000 1.374 167 I CB -0.247 37.771 38.000 0.030 0.000 1.057 167 I HN 0.154 nan 8.210 nan 0.000 0.413 168 E N 0.298 120.516 120.200 0.029 0.000 2.072 168 E HA -0.187 4.163 4.350 0.000 0.000 0.191 168 E C 2.171 178.787 176.600 0.027 0.000 0.985 168 E CA 1.965 58.379 56.400 0.023 0.000 0.801 168 E CB -0.184 29.524 29.700 0.013 0.000 0.750 168 E HN 0.585 nan 8.360 nan 0.000 0.452 169 T N -1.532 113.041 114.554 0.031 0.000 3.014 169 T HA -0.047 4.303 4.350 0.000 0.000 0.263 169 T C 2.004 176.725 174.700 0.036 0.000 1.078 169 T CA 1.390 63.508 62.100 0.031 0.000 1.135 169 T CB -0.081 68.805 68.868 0.031 0.000 0.895 169 T HN 0.211 nan 8.240 nan 0.000 0.480 170 T N -3.294 111.288 114.554 0.047 0.000 2.958 170 T HA 0.506 4.856 4.350 0.000 0.000 0.256 170 T C 1.732 176.462 174.700 0.050 0.000 0.983 170 T CA 0.550 62.678 62.100 0.048 0.000 0.924 170 T CB -0.010 68.891 68.868 0.057 0.000 1.136 170 T HN 0.948 nan 8.240 nan 0.000 0.506 171 G N 0.448 109.282 108.800 0.057 0.000 2.137 171 G HA2 -0.054 3.906 3.960 0.000 0.000 0.237 171 G HA3 -0.054 3.906 3.960 0.000 0.000 0.237 171 G C 0.127 175.073 174.900 0.077 0.000 1.002 171 G CA 0.590 45.725 45.100 0.057 0.000 0.702 171 G HN 1.145 nan 8.290 nan 0.000 0.515 172 T N -1.811 112.812 114.554 0.114 0.000 2.649 172 T HA 0.601 4.951 4.350 0.000 0.000 0.287 172 T C -1.744 173.119 174.700 0.271 0.000 1.933 172 T CA 0.551 62.751 62.100 0.167 0.000 0.943 172 T CB 0.658 69.563 68.868 0.061 0.000 2.078 172 T HN 1.829 nan 8.240 nan 0.000 0.455 173 Y N -0.263 120.053 120.300 0.025 0.000 2.656 173 Y HA 0.815 5.365 4.550 0.000 0.000 0.334 173 Y C -1.565 174.362 175.900 0.046 0.000 1.179 173 Y CA -1.169 56.956 58.100 0.042 0.000 1.050 173 Y CB 0.856 39.354 38.460 0.063 0.000 1.308 173 Y HN 0.477 nan 8.280 nan 0.000 0.456 174 Q N 2.473 122.286 119.800 0.021 0.000 2.282 174 Q HA 0.529 4.869 4.340 0.000 0.000 0.260 174 Q C -0.822 175.197 176.000 0.031 0.000 0.964 174 Q CA -0.762 55.010 55.803 -0.051 0.000 0.880 174 Q CB 2.807 31.560 28.738 0.025 0.000 1.286 174 Q HN 0.851 nan 8.270 nan 0.000 0.445 175 L N 1.305 122.522 121.223 -0.010 0.000 2.418 175 L HA 0.352 4.692 4.340 0.000 0.000 0.265 175 L C 1.088 177.996 176.870 0.064 0.000 1.143 175 L CA -0.545 54.350 54.840 0.091 0.000 0.809 175 L CB 0.731 42.839 42.059 0.081 0.000 1.124 175 L HN 0.672 nan 8.230 nan 0.000 0.456 176 T N -1.233 113.350 114.554 0.049 0.000 2.828 176 T HA 0.130 4.480 4.350 0.000 0.000 0.290 176 T C 0.919 175.618 174.700 -0.000 0.000 1.019 176 T CA -0.703 61.408 62.100 0.018 0.000 1.031 176 T CB 1.063 69.928 68.868 -0.005 0.000 1.001 176 T HN 0.476 nan 8.240 nan 0.000 0.531 177 L N 0.617 121.840 121.223 0.001 0.000 2.042 177 L HA -0.070 4.270 4.340 0.000 0.000 0.210 177 L C 2.229 179.105 176.870 0.010 0.000 1.076 177 L CA 1.935 56.769 54.840 -0.011 0.000 0.749 177 L CB -1.136 40.916 42.059 -0.010 0.000 0.893 177 L HN 0.879 nan 8.230 nan 0.000 0.432 178 D N -0.478 119.941 120.400 0.031 0.000 2.104 178 D HA -0.222 4.418 4.640 0.000 0.000 0.194 178 D C 1.914 178.274 176.300 0.100 0.000 0.994 178 D CA 1.674 55.733 54.000 0.098 0.000 0.830 178 D CB 0.188 41.078 40.800 0.150 0.000 0.959 178 D HN 0.588 nan 8.370 nan 0.000 0.452 179 E N 0.018 120.140 120.200 -0.130 0.000 2.106 179 E HA -0.161 4.189 4.350 0.000 0.000 0.192 179 E C 2.100 178.842 176.600 0.237 0.000 0.984 179 E CA 0.224 56.541 56.400 -0.139 0.000 0.806 179 E CB -0.004 29.580 29.700 -0.194 0.000 0.750 179 E HN 0.155 nan 8.360 nan 0.000 0.458 180 L N 1.192 122.464 121.223 0.081 0.000 2.027 180 L HA -0.133 4.207 4.340 0.000 0.000 0.206 180 L C 2.022 178.899 176.870 0.011 0.000 1.074 180 L CA 1.502 56.333 54.840 -0.015 0.000 0.745 180 L CB -0.243 41.750 42.059 -0.110 0.000 0.898 180 L HN 0.103 nan 8.230 nan 0.000 0.433 181 I N -1.222 119.381 120.570 0.056 0.000 2.163 181 I HA -0.334 3.836 4.170 0.000 0.000 0.243 181 I C 2.386 178.598 176.117 0.159 0.000 1.085 181 I CA 1.685 63.024 61.300 0.065 0.000 1.347 181 I CB -0.472 37.571 38.000 0.072 0.000 1.044 181 I HN 0.323 nan 8.210 nan 0.000 0.408 182 F N 1.893 121.923 119.950 0.134 0.000 2.134 182 F HA -0.232 4.295 4.527 0.000 0.000 0.299 182 F C 2.442 178.357 175.800 0.192 0.000 1.097 182 F CA 1.461 59.582 58.000 0.200 0.000 1.264 182 F CB -0.394 38.809 39.000 0.337 0.000 1.001 182 F HN -0.001 nan 8.300 nan 0.000 0.479 183 A N -0.245 122.649 122.820 0.123 0.000 1.930 183 A HA -0.169 4.151 4.320 0.000 0.000 0.217 183 A C 2.258 179.717 177.584 -0.208 0.000 1.175 183 A CA 2.304 54.281 52.037 -0.099 0.000 0.627 183 A CB -1.600 17.307 19.000 -0.155 0.000 0.815 183 A HN 0.543 nan 8.150 nan 0.000 0.443 184 T N -1.932 112.549 114.554 -0.122 0.000 2.821 184 T HA -0.092 4.258 4.350 0.000 0.000 0.267 184 T C 1.813 176.529 174.700 0.027 0.000 1.046 184 T CA 1.540 63.599 62.100 -0.068 0.000 1.139 184 T CB -0.264 68.591 68.868 -0.021 0.000 0.871 184 T HN 0.513 nan 8.240 nan 0.000 0.454 185 K N 0.119 120.553 120.400 0.055 0.000 2.062 185 K HA 0.117 4.437 4.320 0.000 0.000 0.205 185 K C 2.489 179.144 176.600 0.092 0.000 1.051 185 K CA 1.064 57.481 56.287 0.217 0.000 0.941 185 K CB -0.202 32.447 32.500 0.248 0.000 0.719 185 K HN 0.226 nan 8.250 nan 0.000 0.440 186 M N 0.594 120.069 119.600 -0.208 0.000 2.117 186 M HA -0.081 4.399 4.480 0.000 0.000 0.262 186 M C 2.416 178.535 176.300 -0.301 0.000 1.065 186 M CA 1.388 56.465 55.300 -0.372 0.000 1.114 186 M CB -1.069 31.185 32.600 -0.577 0.000 1.361 186 M HN 0.151 nan 8.290 nan 0.000 0.408 187 A N -0.675 121.933 122.820 -0.353 0.000 1.908 187 A HA -0.219 4.101 4.320 0.000 0.000 0.218 187 A C 2.023 179.405 177.584 -0.337 0.000 1.181 187 A CA 1.580 53.268 52.037 -0.581 0.000 0.627 187 A CB -1.156 17.091 19.000 -1.256 0.000 0.818 187 A HN 0.679 nan 8.150 nan 0.000 0.445 188 W N 0.883 122.037 121.300 -0.245 0.000 2.379 188 W HA -0.113 4.547 4.660 0.000 0.000 0.307 188 W C 2.304 178.727 176.519 -0.159 0.000 1.200 188 W CA 1.497 58.788 57.345 -0.090 0.000 1.297 188 W CB -0.762 28.669 29.460 -0.048 0.000 1.140 188 W HN 0.360 nan 8.180 nan 0.000 0.507 189 R N 0.359 120.772 120.500 -0.145 0.000 2.127 189 R HA -0.182 4.158 4.340 0.000 0.000 0.238 189 R C 1.234 177.374 176.300 -0.266 0.000 1.134 189 R CA 1.767 57.615 56.100 -0.421 0.000 0.975 189 R CB -0.485 29.352 30.300 -0.772 0.000 0.865 189 R HN 0.077 nan 8.270 nan 0.000 0.447 190 N N 0.003 118.580 118.700 -0.206 0.000 2.322 190 N HA 0.064 4.804 4.740 0.000 0.000 0.194 190 N C -0.772 174.662 175.510 -0.127 0.000 1.126 190 N CA 0.408 53.371 53.050 -0.145 0.000 0.845 190 N CB 1.038 39.476 38.487 -0.083 0.000 0.976 190 N HN 0.146 nan 8.380 nan 0.000 0.475 191 A N 1.667 124.402 122.820 -0.141 0.000 2.376 191 A HA 0.340 4.660 4.320 0.000 0.000 0.298 191 A C -1.322 176.194 177.584 -0.113 0.000 1.271 191 A CA -1.080 50.833 52.037 -0.206 0.000 0.926 191 A CB 0.532 19.468 19.000 -0.107 0.000 1.141 191 A HN -0.029 nan 8.150 nan 0.000 0.539 192 P HA -0.127 nan 4.420 nan 0.000 0.219 192 P C 1.023 178.277 177.300 -0.076 0.000 1.146 192 P CA 1.156 64.210 63.100 -0.078 0.000 0.808 192 P CB 0.165 31.824 31.700 -0.068 0.000 0.779 193 R N -2.046 118.368 120.500 -0.142 0.000 2.317 193 R HA 0.162 4.502 4.340 0.000 0.000 0.208 193 R C 0.215 176.519 176.300 0.006 0.000 0.914 193 R CA -0.145 55.898 56.100 -0.094 0.000 1.060 193 R CB -0.461 29.571 30.300 -0.448 0.000 1.015 193 R HN 0.186 nan 8.270 nan 0.000 0.498 194 C N 0.786 120.067 119.300 -0.032 0.000 2.285 194 C HA 0.330 4.790 4.460 0.000 0.000 0.335 194 C C 1.681 176.639 174.990 -0.053 0.000 1.267 194 C CA -0.788 58.242 59.018 0.019 0.000 1.762 194 C CB -0.452 27.360 27.740 0.120 0.000 2.365 194 C HN 0.561 nan 8.230 nan 0.000 0.527 195 I N 4.179 124.699 120.570 -0.083 0.000 3.578 195 I HA 0.192 4.362 4.170 0.000 0.000 0.295 195 I C 1.808 177.984 176.117 0.098 0.000 1.280 195 I CA 0.918 62.122 61.300 -0.161 0.000 1.347 195 I CB 0.115 38.024 38.000 -0.152 0.000 1.051 195 I HN 0.920 nan 8.210 nan 0.000 0.460 196 G N 0.043 108.907 108.800 0.108 0.000 3.371 196 G HA2 0.046 4.006 3.960 0.000 0.000 0.248 196 G HA3 0.046 4.006 3.960 0.000 0.000 0.248 196 G C 1.216 176.154 174.900 0.063 0.000 1.161 196 G CA -0.370 44.797 45.100 0.112 0.000 0.796 196 G HN 0.241 nan 8.290 nan 0.000 0.539 197 R N -0.169 120.297 120.500 -0.056 0.000 2.377 197 R HA 0.091 4.431 4.340 0.000 0.000 0.207 197 R C 1.897 177.698 176.300 -0.832 0.000 1.075 197 R CA 0.212 55.975 56.100 -0.561 0.000 1.035 197 R CB -0.156 29.821 30.300 -0.537 0.000 0.857 197 R HN 0.445 nan 8.270 nan 0.000 0.475 198 I N 0.649 120.933 120.570 -0.476 0.000 3.001 198 I HA -0.199 3.971 4.170 0.000 0.000 0.268 198 I C 1.299 177.322 176.117 -0.157 0.000 1.267 198 I CA 1.047 62.232 61.300 -0.193 0.000 1.472 198 I CB 0.188 38.208 38.000 0.032 0.000 1.089 198 I HN 0.175 nan 8.210 nan 0.000 0.468 199 Q N 0.494 120.126 119.800 -0.280 0.000 2.360 199 Q HA -0.078 4.262 4.340 0.000 0.000 0.202 199 Q C 1.591 177.127 176.000 -0.774 0.000 0.915 199 Q CA 0.221 55.850 55.803 -0.289 0.000 0.943 199 Q CB -0.134 28.605 28.738 0.002 0.000 1.064 199 Q HN 0.763 nan 8.270 nan 0.000 0.511 200 W N 1.200 121.691 121.300 -1.349 0.000 2.296 200 W HA -0.254 4.407 4.660 0.000 0.000 0.296 200 W C 1.187 177.344 176.519 -0.604 0.000 1.220 200 W CA 1.626 57.997 57.345 -1.623 0.000 1.223 200 W CB -1.295 27.504 29.460 -1.102 0.000 1.139 200 W HN 0.179 nan 8.180 nan 0.000 0.534 201 S N 0.139 115.106 115.700 -1.222 0.000 2.593 201 S HA -0.005 4.466 4.470 0.000 0.000 0.217 201 S C 0.502 174.878 174.600 -0.373 0.000 0.966 201 S CA 0.285 57.912 58.200 -0.955 0.000 0.914 201 S CB -0.616 61.815 63.200 -1.282 0.000 0.776 201 S HN 0.203 nan 8.310 nan 0.000 0.523 202 N N 1.245 119.821 118.700 -0.207 0.000 2.801 202 N HA 0.501 5.241 4.740 0.000 0.000 0.235 202 N C -1.392 174.223 175.510 0.176 0.000 1.069 202 N CA -0.519 52.529 53.050 -0.003 0.000 0.946 202 N CB 0.562 39.070 38.487 0.035 0.000 1.212 202 N HN 0.384 nan 8.380 nan 0.000 0.509 203 L N 1.946 123.235 121.223 0.110 0.000 2.516 203 L HA 0.462 4.802 4.340 0.000 0.000 0.267 203 L C -1.007 175.826 176.870 -0.061 0.000 0.957 203 L CA -0.679 54.212 54.840 0.086 0.000 0.860 203 L CB 1.811 43.975 42.059 0.175 0.000 1.265 203 L HN 0.345 nan 8.230 nan 0.000 0.403 204 Q N 3.170 122.881 119.800 -0.150 0.000 2.286 204 Q HA 0.583 4.923 4.340 0.000 0.000 0.257 204 Q C -1.624 174.028 176.000 -0.581 0.000 0.941 204 Q CA -0.068 55.490 55.803 -0.408 0.000 0.912 204 Q CB 1.421 29.802 28.738 -0.595 0.000 1.192 204 Q HN 0.524 nan 8.270 nan 0.000 0.410 205 V N 5.730 125.294 119.914 -0.584 0.000 2.417 205 V HA 0.447 4.567 4.120 0.000 0.000 0.291 205 V C -0.884 174.849 176.094 -0.601 0.000 1.024 205 V CA -0.600 61.407 62.300 -0.489 0.000 0.861 205 V CB 0.803 32.472 31.823 -0.256 0.000 0.985 205 V HN 0.666 nan 8.190 nan 0.000 0.436 206 F N 2.559 122.348 119.950 -0.269 0.000 2.388 206 F HA 0.394 4.921 4.527 0.000 0.000 0.358 206 F C 0.403 176.020 175.800 -0.305 0.000 1.122 206 F CA -1.173 56.662 58.000 -0.274 0.000 1.056 206 F CB 1.172 40.004 39.000 -0.281 0.000 1.155 206 F HN 0.429 nan 8.300 nan 0.000 0.461 207 D N 3.272 123.624 120.400 -0.080 0.000 2.393 207 D HA 0.392 5.032 4.640 0.000 0.000 0.232 207 D C 0.157 176.298 176.300 -0.264 0.000 1.192 207 D CA 0.130 54.026 54.000 -0.173 0.000 0.882 207 D CB 1.025 41.760 40.800 -0.108 0.000 1.038 207 D HN 0.601 nan 8.370 nan 0.000 0.499 208 A N 4.505 127.033 122.820 -0.487 0.000 2.637 208 A HA 0.160 4.480 4.320 0.000 0.000 0.293 208 A C 1.570 178.915 177.584 -0.398 0.000 1.216 208 A CA -0.404 51.210 52.037 -0.705 0.000 0.956 208 A CB 0.022 18.116 19.000 -1.511 0.000 1.174 208 A HN 0.520 nan 8.150 nan 0.000 0.525 209 R N 1.051 121.407 120.500 -0.240 0.000 2.357 209 R HA -0.074 4.266 4.340 0.000 0.000 0.202 209 R C 0.954 177.195 176.300 -0.097 0.000 1.047 209 R CA 1.110 57.129 56.100 -0.135 0.000 1.034 209 R CB 0.012 30.284 30.300 -0.048 0.000 0.875 209 R HN 0.730 nan 8.270 nan 0.000 0.473 210 N N -0.420 118.240 118.700 -0.067 0.000 2.203 210 N HA -0.040 4.700 4.740 0.000 0.000 0.207 210 N C 0.174 175.720 175.510 0.058 0.000 1.130 210 N CA -0.270 52.782 53.050 0.004 0.000 0.861 210 N CB -0.232 38.272 38.487 0.029 0.000 1.005 210 N HN -0.014 nan 8.380 nan 0.000 0.507 211 C N 0.595 119.921 119.300 0.044 0.000 2.679 211 C HA 0.309 4.769 4.460 0.000 0.000 0.417 211 C C 1.848 177.004 174.990 0.276 0.000 1.302 211 C CA 0.405 59.547 59.018 0.207 0.000 1.973 211 C CB 0.173 28.113 27.740 0.333 0.000 2.715 211 C HN 0.605 nan 8.230 nan 0.000 0.628 212 S N 1.191 117.100 115.700 0.350 0.000 2.818 212 S HA 0.212 4.682 4.470 0.000 0.000 0.251 212 S C 0.545 175.322 174.600 0.295 0.000 1.083 212 S CA 0.716 59.129 58.200 0.354 0.000 0.871 212 S CB -0.087 63.238 63.200 0.207 0.000 0.831 212 S HN 1.035 nan 8.310 nan 0.000 0.470 213 T N -1.437 113.262 114.554 0.241 0.000 2.940 213 T HA 0.823 5.173 4.350 0.000 0.000 0.288 213 T C 1.219 176.008 174.700 0.147 0.000 1.045 213 T CA -0.076 62.115 62.100 0.152 0.000 1.018 213 T CB 1.207 70.152 68.868 0.127 0.000 1.151 213 T HN 0.156 nan 8.240 nan 0.000 0.529 214 A N 0.268 123.153 122.820 0.108 0.000 1.898 214 A HA -0.050 4.270 4.320 0.000 0.000 0.216 214 A C 2.329 179.912 177.584 -0.003 0.000 1.181 214 A CA 2.032 54.130 52.037 0.101 0.000 0.620 214 A CB -1.299 17.859 19.000 0.264 0.000 0.819 214 A HN 0.882 nan 8.150 nan 0.000 0.442 215 Q N 0.423 120.299 119.800 0.128 0.000 2.112 215 Q HA -0.218 4.122 4.340 0.000 0.000 0.206 215 Q C 1.742 177.762 176.000 0.033 0.000 0.987 215 Q CA 2.468 58.314 55.803 0.071 0.000 0.858 215 Q CB -0.441 28.410 28.738 0.188 0.000 0.905 215 Q HN 0.767 nan 8.270 nan 0.000 0.420 216 E N -0.702 119.553 120.200 0.091 0.000 2.150 216 E HA -0.143 4.207 4.350 0.000 0.000 0.193 216 E C 2.062 178.791 176.600 0.215 0.000 0.985 216 E CA 1.160 57.629 56.400 0.115 0.000 0.814 216 E CB -0.151 29.665 29.700 0.195 0.000 0.752 216 E HN 0.453 nan 8.360 nan 0.000 0.466 217 M N 0.046 119.769 119.600 0.205 0.000 2.086 217 M HA -0.154 4.326 4.480 0.000 0.000 0.261 217 M C 2.205 178.584 176.300 0.131 0.000 1.067 217 M CA 1.272 56.695 55.300 0.205 0.000 1.116 217 M CB -0.268 32.245 32.600 -0.144 0.000 1.348 217 M HN 0.122 nan 8.290 nan 0.000 0.407 218 F N 1.520 121.285 119.950 -0.308 0.000 2.095 218 F HA -0.265 4.262 4.527 0.000 0.000 0.298 218 F C 2.301 177.987 175.800 -0.190 0.000 1.104 218 F CA 1.828 59.570 58.000 -0.430 0.000 1.232 218 F CB -0.565 37.826 39.000 -1.015 0.000 0.987 218 F HN 0.187 nan 8.300 nan 0.000 0.475 219 Q N -1.057 118.580 119.800 -0.273 0.000 2.050 219 Q HA -0.222 4.118 4.340 0.000 0.000 0.202 219 Q C 2.214 178.046 176.000 -0.280 0.000 0.980 219 Q CA 1.638 57.228 55.803 -0.354 0.000 0.840 219 Q CB -0.621 27.965 28.738 -0.253 0.000 0.898 219 Q HN 0.518 nan 8.270 nan 0.000 0.424 220 H N 0.565 119.583 119.070 -0.086 0.000 2.352 220 H HA -0.087 4.469 4.556 0.000 0.000 0.299 220 H C 2.166 177.440 175.328 -0.090 0.000 1.097 220 H CA 1.302 57.299 56.048 -0.084 0.000 1.311 220 H CB -0.100 29.685 29.762 0.039 0.000 1.377 220 H HN 0.253 nan 8.280 nan 0.000 0.504 221 I N -0.181 120.461 120.570 0.119 0.000 2.286 221 I HA -0.276 3.894 4.170 0.000 0.000 0.248 221 I C 2.661 178.723 176.117 -0.091 0.000 1.115 221 I CA 0.724 62.047 61.300 0.040 0.000 1.392 221 I CB -0.249 37.779 38.000 0.048 0.000 1.065 221 I HN 0.214 nan 8.210 nan 0.000 0.418 222 C N 0.334 119.481 119.300 -0.255 0.000 2.425 222 C HA -0.125 4.335 4.460 0.000 0.000 0.277 222 C C 2.958 177.852 174.990 -0.160 0.000 1.280 222 C CA 0.597 59.450 59.018 -0.275 0.000 1.744 222 C CB -1.111 26.340 27.740 -0.481 0.000 1.989 222 C HN 0.459 nan 8.230 nan 0.000 0.491 223 R N 0.342 120.729 120.500 -0.188 0.000 2.092 223 R HA -0.131 4.209 4.340 0.000 0.000 0.231 223 R C 2.035 178.229 176.300 -0.177 0.000 1.119 223 R CA 1.802 57.777 56.100 -0.209 0.000 0.970 223 R CB -0.802 29.303 30.300 -0.325 0.000 0.864 223 R HN 0.787 nan 8.270 nan 0.000 0.440 224 H N -0.104 118.808 119.070 -0.263 0.000 2.299 224 H HA -0.017 4.539 4.556 0.000 0.000 0.302 224 H C 2.244 177.625 175.328 0.088 0.000 1.078 224 H CA 1.988 57.983 56.048 -0.088 0.000 1.323 224 H CB -0.034 29.723 29.762 -0.008 0.000 1.381 224 H HN 0.132 nan 8.280 nan 0.000 0.498 225 I N 0.192 120.898 120.570 0.227 0.000 2.163 225 I HA -0.268 3.902 4.170 0.000 0.000 0.243 225 I C 2.458 178.656 176.117 0.137 0.000 1.085 225 I CA 0.916 62.303 61.300 0.146 0.000 1.347 225 I CB -0.231 37.778 38.000 0.015 0.000 1.044 225 I HN 0.330 nan 8.210 nan 0.000 0.408 226 L N 0.336 121.610 121.223 0.086 0.000 1.989 226 L HA -0.284 4.056 4.340 0.000 0.000 0.211 226 L C 2.528 179.463 176.870 0.108 0.000 1.071 226 L CA 1.960 56.840 54.840 0.066 0.000 0.749 226 L CB -1.032 41.042 42.059 0.025 0.000 0.890 226 L HN 0.272 nan 8.230 nan 0.000 0.431 227 Y N 0.175 120.512 120.300 0.062 0.000 2.128 227 Y HA -0.262 4.289 4.550 0.000 0.000 0.284 227 Y C 2.345 178.326 175.900 0.136 0.000 1.154 227 Y CA 2.229 60.399 58.100 0.117 0.000 1.149 227 Y CB -0.627 37.969 38.460 0.227 0.000 0.976 227 Y HN 0.252 nan 8.280 nan 0.000 0.505 228 A N -0.714 122.233 122.820 0.211 0.000 1.898 228 A HA -0.150 4.170 4.320 0.000 0.000 0.216 228 A C 2.208 179.824 177.584 0.055 0.000 1.181 228 A CA 2.154 54.276 52.037 0.141 0.000 0.620 228 A CB -1.301 17.907 19.000 0.347 0.000 0.819 228 A HN 0.529 nan 8.150 nan 0.000 0.442 229 T N -0.072 114.526 114.554 0.073 0.000 2.777 229 T HA -0.123 4.227 4.350 0.000 0.000 0.266 229 T C 1.123 175.827 174.700 0.006 0.000 1.040 229 T CA 1.266 63.404 62.100 0.062 0.000 1.141 229 T CB -0.443 68.463 68.868 0.063 0.000 0.868 229 T HN 0.634 nan 8.240 nan 0.000 0.444 230 N N 1.556 120.230 118.700 -0.044 0.000 2.707 230 N HA -0.261 4.479 4.740 0.000 0.000 0.253 230 N C -0.003 175.484 175.510 -0.038 0.000 0.998 230 N CA 0.957 53.961 53.050 -0.075 0.000 0.751 230 N CB -1.890 36.507 38.487 -0.149 0.000 0.920 230 N HN 0.456 nan 8.380 nan 0.000 0.539 231 N N -1.423 117.268 118.700 -0.016 0.000 2.708 231 N HA -0.214 4.526 4.740 0.000 0.000 0.249 231 N C 0.986 176.488 175.510 -0.015 0.000 1.097 231 N CA 2.504 55.546 53.050 -0.013 0.000 0.710 231 N CB -1.224 37.253 38.487 -0.018 0.000 1.032 231 N HN 1.242 nan 8.380 nan 0.000 0.551 232 G N -1.076 107.724 108.800 -0.000 0.000 2.284 232 G HA2 -0.315 3.645 3.960 0.000 0.000 0.216 232 G HA3 -0.315 3.645 3.960 0.000 0.000 0.216 232 G C 0.049 174.950 174.900 0.002 0.000 1.009 232 G CA 0.153 45.255 45.100 0.005 0.000 0.625 232 G HN 0.690 nan 8.290 nan 0.000 0.501 233 N N 2.155 120.841 118.700 -0.024 0.000 3.188 233 N HA 0.342 5.083 4.740 0.000 0.000 0.279 233 N C 0.819 176.310 175.510 -0.032 0.000 1.213 233 N CA -0.572 52.448 53.050 -0.050 0.000 1.138 233 N CB -0.419 38.030 38.487 -0.063 0.000 1.417 233 N HN 0.323 nan 8.380 nan 0.000 0.526 234 I N 1.699 122.284 120.570 0.025 0.000 2.845 234 I HA -0.092 4.078 4.170 0.000 0.000 0.296 234 I C 0.866 177.101 176.117 0.197 0.000 1.216 234 I CA 0.767 62.148 61.300 0.136 0.000 1.438 234 I CB -0.299 37.877 38.000 0.294 0.000 1.342 234 I HN 0.310 nan 8.210 nan 0.000 0.577 235 R N 3.717 124.311 120.500 0.157 0.000 2.621 235 R HA 0.420 4.760 4.340 0.000 0.000 0.292 235 R C -0.467 175.972 176.300 0.232 0.000 0.969 235 R CA -0.696 55.511 56.100 0.179 0.000 0.887 235 R CB 1.959 32.203 30.300 -0.092 0.000 1.180 235 R HN 0.544 nan 8.270 nan 0.000 0.450 236 S N 1.376 117.207 115.700 0.218 0.000 2.528 236 S HA 0.537 5.007 4.470 0.000 0.000 0.277 236 S C -0.436 174.199 174.600 0.059 0.000 1.297 236 S CA -0.335 57.896 58.200 0.051 0.000 1.052 236 S CB 1.297 64.441 63.200 -0.094 0.000 0.917 236 S HN 0.680 nan 8.310 nan 0.000 0.492 237 A N 3.053 125.876 122.820 0.004 0.000 2.606 237 A HA 0.845 5.165 4.320 0.000 0.000 0.293 237 A C -1.281 176.244 177.584 -0.099 0.000 1.082 237 A CA -0.659 51.285 52.037 -0.154 0.000 0.685 237 A CB 1.223 20.081 19.000 -0.236 0.000 1.284 237 A HN 0.798 nan 8.150 nan 0.000 0.408 238 I N 0.482 120.960 120.570 -0.153 0.000 2.656 238 I HA 0.592 4.762 4.170 0.000 0.000 0.292 238 I C -1.148 175.006 176.117 0.062 0.000 1.144 238 I CA -0.146 61.214 61.300 0.100 0.000 1.038 238 I CB 2.397 40.422 38.000 0.040 0.000 1.244 238 I HN 0.604 nan 8.210 nan 0.000 0.420 239 T N 6.371 121.050 114.554 0.209 0.000 2.770 239 T HA 0.434 4.784 4.350 0.000 0.000 0.283 239 T C -0.638 173.928 174.700 -0.224 0.000 0.988 239 T CA -0.353 61.749 62.100 0.003 0.000 0.957 239 T CB 1.468 70.361 68.868 0.042 0.000 0.930 239 T HN 0.260 nan 8.240 nan 0.000 0.443 240 V N 5.196 124.892 119.914 -0.363 0.000 2.350 240 V HA 0.460 4.580 4.120 0.000 0.000 0.276 240 V C -0.293 175.513 176.094 -0.481 0.000 1.028 240 V CA -0.740 61.347 62.300 -0.355 0.000 0.860 240 V CB -0.018 31.558 31.823 -0.412 0.000 0.990 240 V HN 0.744 nan 8.190 nan 0.000 0.453 241 F N 5.059 124.953 119.950 -0.092 0.000 2.364 241 F HA 0.479 5.006 4.527 0.000 0.000 0.316 241 F C -1.789 173.903 175.800 -0.181 0.000 1.133 241 F CA -2.370 55.503 58.000 -0.211 0.000 1.051 241 F CB 0.380 39.268 39.000 -0.187 0.000 1.342 241 F HN 0.296 nan 8.300 nan 0.000 0.507 242 P HA -0.033 nan 4.420 nan 0.000 0.264 242 P C -1.165 176.123 177.300 -0.020 0.000 1.183 242 P CA -0.030 62.929 63.100 -0.236 0.000 0.763 242 P CB 0.203 31.564 31.700 -0.564 0.000 0.807 243 Q N 3.160 122.924 119.800 -0.060 0.000 2.454 243 Q HA 0.112 4.452 4.340 0.000 0.000 0.247 243 Q C 0.136 176.033 176.000 -0.173 0.000 1.028 243 Q CA -0.601 54.956 55.803 -0.410 0.000 0.910 243 Q CB 0.710 28.932 28.738 -0.859 0.000 1.276 243 Q HN 0.321 nan 8.270 nan 0.000 0.489 244 R N 1.295 121.688 120.500 -0.178 0.000 2.522 244 R HA -0.013 4.327 4.340 0.000 0.000 0.284 244 R C 0.200 176.475 176.300 -0.041 0.000 1.032 244 R CA 0.744 56.821 56.100 -0.039 0.000 1.049 244 R CB 0.519 30.790 30.300 -0.049 0.000 0.956 244 R HN 0.947 nan 8.270 nan 0.000 0.422 245 S N 2.729 118.456 115.700 0.045 0.000 2.460 245 S HA -0.062 4.408 4.470 0.000 0.000 0.185 245 S C 0.945 175.579 174.600 0.058 0.000 0.908 245 S CA 0.394 58.622 58.200 0.047 0.000 0.894 245 S CB -0.135 63.118 63.200 0.089 0.000 0.855 245 S HN 0.827 nan 8.310 nan 0.000 0.574 246 D N 0.036 120.504 120.400 0.114 0.000 2.360 246 D HA 0.281 4.921 4.640 0.000 0.000 0.210 246 D C 1.410 177.735 176.300 0.042 0.000 1.047 246 D CA 0.784 54.834 54.000 0.084 0.000 0.854 246 D CB -0.170 40.706 40.800 0.127 0.000 0.936 246 D HN 0.868 nan 8.370 nan 0.000 0.514 247 G N 0.948 109.774 108.800 0.044 0.000 2.175 247 G HA2 -0.325 3.635 3.960 0.000 0.000 0.244 247 G HA3 -0.325 3.635 3.960 0.000 0.000 0.244 247 G C 0.969 175.842 174.900 -0.045 0.000 0.982 247 G CA 0.388 45.490 45.100 0.003 0.000 0.641 247 G HN 0.454 nan 8.290 nan 0.000 0.527 248 K N -0.146 120.188 120.400 -0.109 0.000 2.358 248 K HA 0.219 4.539 4.320 0.000 0.000 0.197 248 K C 0.505 176.782 176.600 -0.540 0.000 1.025 248 K CA 0.071 56.170 56.287 -0.313 0.000 1.104 248 K CB 0.319 32.580 32.500 -0.399 0.000 0.855 248 K HN 0.518 nan 8.250 nan 0.000 0.531 249 H N 0.926 120.009 119.070 0.023 0.000 2.562 249 H HA 0.190 4.746 4.556 0.000 0.000 0.249 249 H C -0.797 174.559 175.328 0.046 0.000 1.195 249 H CA -0.590 55.468 56.048 0.018 0.000 0.938 249 H CB 0.262 30.056 29.762 0.053 0.000 1.891 249 H HN 0.039 nan 8.280 nan 0.000 0.595 250 D N 0.767 121.221 120.400 0.091 0.000 2.424 250 D HA 0.042 4.682 4.640 0.000 0.000 0.244 250 D C 0.099 176.454 176.300 0.092 0.000 1.134 250 D CA 0.397 54.484 54.000 0.145 0.000 0.881 250 D CB 0.645 41.499 40.800 0.091 0.000 1.191 250 D HN 0.044 nan 8.370 nan 0.000 0.445 251 F N 2.564 122.557 119.950 0.072 0.000 2.411 251 F HA 0.387 4.914 4.527 0.000 0.000 0.350 251 F C 0.937 176.757 175.800 0.034 0.000 1.114 251 F CA -0.260 57.757 58.000 0.030 0.000 1.135 251 F CB 0.812 39.830 39.000 0.030 0.000 1.120 251 F HN -0.132 nan 8.300 nan 0.000 0.495 252 R N 3.461 124.046 120.500 0.142 0.000 2.626 252 R HA 0.504 4.844 4.340 0.000 0.000 0.274 252 R C -1.868 174.554 176.300 0.203 0.000 1.031 252 R CA -1.115 55.085 56.100 0.168 0.000 0.898 252 R CB 2.178 32.589 30.300 0.185 0.000 1.222 252 R HN 0.454 nan 8.270 nan 0.000 0.455 253 L N 1.831 123.157 121.223 0.171 0.000 2.265 253 L HA 0.365 4.705 4.340 0.000 0.000 0.289 253 L C 0.621 177.677 176.870 0.309 0.000 1.033 253 L CA -0.133 54.817 54.840 0.184 0.000 0.814 253 L CB 0.808 42.904 42.059 0.061 0.000 1.203 253 L HN 0.586 nan 8.230 nan 0.000 0.423 254 W N 0.817 122.166 121.300 0.082 0.000 2.699 254 W HA 0.015 4.675 4.660 0.000 0.000 0.249 254 W C 0.738 177.356 176.519 0.165 0.000 1.280 254 W CA -0.384 57.099 57.345 0.229 0.000 1.345 254 W CB -0.959 28.733 29.460 0.387 0.000 1.128 254 W HN 0.500 nan 8.180 nan 0.000 0.642 255 N N -0.758 118.053 118.700 0.184 0.000 2.399 255 N HA 0.062 4.802 4.740 0.000 0.000 0.250 255 N C 1.111 176.479 175.510 -0.236 0.000 1.272 255 N CA 0.439 53.334 53.050 -0.258 0.000 0.928 255 N CB 0.634 39.051 38.487 -0.116 0.000 1.158 255 N HN -0.311 nan 8.380 nan 0.000 0.463 256 S N -0.390 115.113 115.700 -0.329 0.000 2.427 256 S HA 0.077 4.547 4.470 0.000 0.000 0.224 256 S C 0.033 174.537 174.600 -0.160 0.000 1.047 256 S CA 0.707 58.793 58.200 -0.189 0.000 0.953 256 S CB 0.117 63.224 63.200 -0.154 0.000 0.824 256 S HN 0.517 nan 8.310 nan 0.000 0.502 257 Q N -0.411 119.289 119.800 -0.167 0.000 2.413 257 Q HA 0.522 4.862 4.340 0.000 0.000 0.276 257 Q C 0.581 176.472 176.000 -0.181 0.000 1.099 257 Q CA -0.356 55.356 55.803 -0.152 0.000 0.814 257 Q CB 1.306 30.005 28.738 -0.066 0.000 1.379 257 Q HN 0.022 nan 8.270 nan 0.000 0.436 258 L N 0.331 121.437 121.223 -0.195 0.000 2.046 258 L HA 0.014 4.354 4.340 0.000 0.000 0.208 258 L C 0.309 177.039 176.870 -0.232 0.000 1.077 258 L CA 1.057 55.784 54.840 -0.189 0.000 0.747 258 L CB 0.063 41.998 42.059 -0.207 0.000 0.896 258 L HN 0.524 nan 8.230 nan 0.000 0.432 259 I N -0.019 120.343 120.570 -0.346 0.000 2.389 259 I HA 0.426 4.596 4.170 0.000 0.000 0.288 259 I C -0.314 175.268 176.117 -0.890 0.000 0.999 259 I CA -0.283 60.624 61.300 -0.654 0.000 1.129 259 I CB 1.399 38.866 38.000 -0.888 0.000 1.288 259 I HN 0.075 nan 8.210 nan 0.000 0.444 260 R N 4.735 124.810 120.500 -0.709 0.000 2.629 260 R HA 0.511 4.851 4.340 0.000 0.000 0.266 260 R C -1.913 174.203 176.300 -0.306 0.000 1.051 260 R CA -0.645 55.200 56.100 -0.424 0.000 0.895 260 R CB 1.254 31.479 30.300 -0.126 0.000 1.246 260 R HN 0.274 nan 8.270 nan 0.000 0.459 261 Y N 1.247 121.582 120.300 0.059 0.000 2.307 261 Y HA 0.659 5.209 4.550 0.000 0.000 0.324 261 Y C 0.893 176.834 175.900 0.068 0.000 1.238 261 Y CA -0.159 58.004 58.100 0.104 0.000 1.280 261 Y CB 1.406 40.024 38.460 0.264 0.000 1.248 261 Y HN 0.752 nan 8.280 nan 0.000 0.508 262 A N 1.066 123.993 122.820 0.178 0.000 2.287 262 A HA 0.723 5.043 4.320 0.000 0.000 0.273 262 A C 0.339 177.792 177.584 -0.218 0.000 1.091 262 A CA 0.173 52.139 52.037 -0.118 0.000 0.817 262 A CB -0.060 18.767 19.000 -0.288 0.000 1.069 262 A HN 0.902 nan 8.150 nan 0.000 0.492 263 G N -0.753 107.801 108.800 -0.411 0.000 2.662 263 G HA2 0.600 4.560 3.960 0.000 0.000 0.302 263 G HA3 0.600 4.560 3.960 0.000 0.000 0.302 263 G C -1.470 173.196 174.900 -0.391 0.000 1.389 263 G CA -0.294 44.635 45.100 -0.286 0.000 0.998 263 G HN 0.533 nan 8.290 nan 0.000 0.502 264 Y N -0.209 120.119 120.300 0.046 0.000 2.512 264 Y HA 0.545 5.095 4.550 0.000 0.000 0.348 264 Y C 0.199 176.143 175.900 0.074 0.000 0.990 264 Y CA -1.013 57.133 58.100 0.077 0.000 1.033 264 Y CB 2.564 41.104 38.460 0.132 0.000 1.259 264 Y HN 0.481 nan 8.280 nan 0.000 0.461 265 Q N 3.406 123.353 119.800 0.245 0.000 2.368 265 Q HA 0.391 4.731 4.340 0.000 0.000 0.256 265 Q C -0.822 175.266 176.000 0.147 0.000 0.980 265 Q CA -0.811 55.080 55.803 0.147 0.000 0.887 265 Q CB 0.644 29.439 28.738 0.095 0.000 1.221 265 Q HN 0.573 nan 8.270 nan 0.000 0.458 266 M N 4.145 123.809 119.600 0.106 0.000 2.157 266 M HA 0.141 4.621 4.480 0.000 0.000 0.304 266 M C -1.619 174.684 176.300 0.005 0.000 1.171 266 M CA -2.123 53.203 55.300 0.043 0.000 1.157 266 M CB -0.604 32.005 32.600 0.015 0.000 1.403 266 M HN 0.436 nan 8.290 nan 0.000 0.473 267 P HA -0.159 nan 4.420 nan 0.000 0.216 267 P C 0.296 177.580 177.300 -0.027 0.000 1.150 267 P CA 1.345 64.420 63.100 -0.042 0.000 0.837 267 P CB -0.064 31.590 31.700 -0.077 0.000 0.786 268 D N -2.154 118.230 120.400 -0.026 0.000 2.352 268 D HA 0.080 4.720 4.640 0.000 0.000 0.232 268 D C 1.396 177.692 176.300 -0.006 0.000 1.055 268 D CA 0.750 54.739 54.000 -0.018 0.000 0.891 268 D CB -0.999 39.789 40.800 -0.020 0.000 0.897 268 D HN 0.211 nan 8.370 nan 0.000 0.529 269 G N -0.238 108.563 108.800 0.002 0.000 2.199 269 G HA2 -0.306 3.655 3.960 0.000 0.000 0.254 269 G HA3 -0.306 3.655 3.960 0.000 0.000 0.254 269 G C 0.595 175.505 174.900 0.017 0.000 0.982 269 G CA 0.599 45.705 45.100 0.011 0.000 0.632 269 G HN 0.813 nan 8.290 nan 0.000 0.529 270 T N -0.474 114.089 114.554 0.016 0.000 2.849 270 T HA 0.689 5.039 4.350 0.000 0.000 0.284 270 T C 0.369 175.089 174.700 0.033 0.000 1.004 270 T CA -0.622 61.489 62.100 0.018 0.000 1.021 270 T CB 1.808 70.682 68.868 0.011 0.000 1.013 270 T HN 0.365 nan 8.240 nan 0.000 0.527 271 I N 1.455 122.040 120.570 0.026 0.000 2.359 271 I HA 0.471 4.641 4.170 0.000 0.000 0.294 271 I C 0.434 176.564 176.117 0.022 0.000 0.987 271 I CA -0.680 60.639 61.300 0.032 0.000 1.225 271 I CB 1.366 39.368 38.000 0.004 0.000 1.366 271 I HN 0.801 nan 8.210 nan 0.000 0.466 272 R N 3.482 124.025 120.500 0.072 0.000 2.562 272 R HA 0.649 4.989 4.340 0.000 0.000 0.298 272 R C 0.206 176.535 176.300 0.049 0.000 0.961 272 R CA 0.186 56.326 56.100 0.067 0.000 0.881 272 R CB 1.678 32.062 30.300 0.141 0.000 1.159 272 R HN 0.910 nan 8.270 nan 0.000 0.450 273 G N 2.668 111.402 108.800 -0.110 0.000 2.527 273 G HA2 -0.261 3.699 3.960 0.000 0.000 0.227 273 G HA3 -0.261 3.699 3.960 0.000 0.000 0.227 273 G C -1.096 173.508 174.900 -0.492 0.000 1.291 273 G CA -0.052 44.938 45.100 -0.183 0.000 0.904 273 G HN 0.657 nan 8.290 nan 0.000 0.577 274 D N 1.836 122.111 120.400 -0.209 0.000 2.402 274 D HA 0.527 5.167 4.640 0.000 0.000 0.235 274 D C 1.670 177.920 176.300 -0.084 0.000 1.226 274 D CA 0.888 54.799 54.000 -0.148 0.000 0.918 274 D CB 0.558 41.566 40.800 0.347 0.000 1.043 274 D HN 0.946 nan 8.370 nan 0.000 0.506 275 A N 3.781 126.515 122.820 -0.144 0.000 2.042 275 A HA -0.203 4.117 4.320 0.000 0.000 0.222 275 A C 2.052 179.640 177.584 0.007 0.000 1.167 275 A CA 1.918 53.923 52.037 -0.054 0.000 0.649 275 A CB -0.249 18.723 19.000 -0.047 0.000 0.809 275 A HN 0.602 nan 8.150 nan 0.000 0.457 276 A N -0.719 122.129 122.820 0.046 0.000 2.168 276 A HA 0.089 4.409 4.320 0.000 0.000 0.215 276 A C 1.925 179.557 177.584 0.079 0.000 1.152 276 A CA 1.798 53.880 52.037 0.075 0.000 0.716 276 A CB -0.762 18.304 19.000 0.111 0.000 0.794 276 A HN 0.826 nan 8.150 nan 0.000 0.465 277 T N -3.102 111.496 114.554 0.073 0.000 3.214 277 T HA 0.400 4.750 4.350 0.000 0.000 0.264 277 T C 1.294 176.015 174.700 0.034 0.000 1.012 277 T CA -0.104 62.047 62.100 0.084 0.000 0.901 277 T CB -0.359 68.573 68.868 0.107 0.000 1.070 277 T HN 0.217 nan 8.240 nan 0.000 0.561 278 L N 0.748 121.976 121.223 0.008 0.000 1.989 278 L HA -0.124 4.216 4.340 0.000 0.000 0.211 278 L C 2.858 179.716 176.870 -0.021 0.000 1.071 278 L CA 1.912 56.742 54.840 -0.017 0.000 0.749 278 L CB -0.417 41.645 42.059 0.004 0.000 0.890 278 L HN 0.394 nan 8.230 nan 0.000 0.431 279 E N -0.682 119.516 120.200 -0.004 0.000 2.028 279 E HA -0.252 4.098 4.350 0.000 0.000 0.191 279 E C 2.036 178.571 176.600 -0.108 0.000 0.988 279 E CA 1.356 57.726 56.400 -0.049 0.000 0.799 279 E CB -0.241 29.437 29.700 -0.037 0.000 0.755 279 E HN 0.331 nan 8.360 nan 0.000 0.447 280 F N 1.846 121.672 119.950 -0.205 0.000 2.216 280 F HA -0.193 4.334 4.527 0.000 0.000 0.300 280 F C 2.246 177.932 175.800 -0.190 0.000 1.085 280 F CA 1.466 59.315 58.000 -0.252 0.000 1.326 280 F CB -0.296 38.599 39.000 -0.175 0.000 1.027 280 F HN -0.103 nan 8.300 nan 0.000 0.497 281 T N -0.401 114.053 114.554 -0.167 0.000 2.746 281 T HA -0.247 4.103 4.350 0.000 0.000 0.267 281 T C 1.764 176.361 174.700 -0.171 0.000 1.039 281 T CA 1.586 63.547 62.100 -0.232 0.000 1.142 281 T CB -0.322 68.414 68.868 -0.220 0.000 0.866 281 T HN 0.229 nan 8.240 nan 0.000 0.444 282 Q N 0.736 120.460 119.800 -0.128 0.000 2.124 282 Q HA -0.055 4.285 4.340 0.000 0.000 0.202 282 Q C 2.085 178.003 176.000 -0.137 0.000 0.977 282 Q CA 1.126 56.884 55.803 -0.076 0.000 0.850 282 Q CB -0.696 28.008 28.738 -0.057 0.000 0.901 282 Q HN 0.430 nan 8.270 nan 0.000 0.429 283 L N -0.432 120.630 121.223 -0.269 0.000 2.017 283 L HA -0.153 4.187 4.340 0.000 0.000 0.208 283 L C 2.116 178.815 176.870 -0.284 0.000 1.073 283 L CA 1.860 56.523 54.840 -0.295 0.000 0.745 283 L CB -1.129 40.662 42.059 -0.446 0.000 0.894 283 L HN 0.375 nan 8.230 nan 0.000 0.432 284 C N -0.263 118.771 119.300 -0.444 0.000 2.413 284 C HA -0.153 4.307 4.460 0.000 0.000 0.276 284 C C 2.757 177.756 174.990 0.015 0.000 1.248 284 C CA 0.989 59.817 59.018 -0.315 0.000 1.742 284 C CB -0.981 26.435 27.740 -0.539 0.000 2.017 284 C HN 0.600 nan 8.230 nan 0.000 0.481 285 I N 0.998 121.623 120.570 0.092 0.000 2.179 285 I HA -0.185 3.985 4.170 0.000 0.000 0.242 285 I C 2.096 178.226 176.117 0.022 0.000 1.088 285 I CA 1.543 62.922 61.300 0.132 0.000 1.357 285 I CB -0.645 37.421 38.000 0.111 0.000 1.051 285 I HN 0.307 nan 8.210 nan 0.000 0.409 286 D N 0.946 121.329 120.400 -0.030 0.000 2.182 286 D HA -0.119 4.521 4.640 0.000 0.000 0.201 286 D C 2.018 178.280 176.300 -0.063 0.000 0.986 286 D CA 1.202 55.168 54.000 -0.056 0.000 0.847 286 D CB -0.150 40.601 40.800 -0.081 0.000 0.942 286 D HN 0.342 nan 8.370 nan 0.000 0.467 287 L N -0.753 120.436 121.223 -0.056 0.000 2.627 287 L HA 0.191 4.531 4.340 0.000 0.000 0.233 287 L C 1.537 178.379 176.870 -0.047 0.000 1.144 287 L CA 0.365 55.170 54.840 -0.059 0.000 0.892 287 L CB 0.010 42.020 42.059 -0.081 0.000 1.039 287 L HN 0.139 nan 8.230 nan 0.000 0.442 288 G N -1.330 107.459 108.800 -0.019 0.000 2.201 288 G HA2 -0.295 3.665 3.960 0.000 0.000 0.212 288 G HA3 -0.295 3.665 3.960 0.000 0.000 0.212 288 G C -0.068 174.844 174.900 0.020 0.000 0.994 288 G CA -0.359 44.728 45.100 -0.022 0.000 0.644 288 G HN 0.291 nan 8.290 nan 0.000 0.508 289 W N 3.506 124.733 121.300 -0.123 0.000 2.193 289 W HA 0.595 5.255 4.660 0.000 0.000 0.338 289 W C 0.149 176.621 176.519 -0.078 0.000 1.310 289 W CA -0.313 56.968 57.345 -0.106 0.000 1.243 289 W CB 0.671 30.060 29.460 -0.117 0.000 1.165 289 W HN -0.077 nan 8.180 nan 0.000 0.566 290 K N 8.454 128.339 120.400 -0.858 0.000 2.284 290 K HA 0.228 4.548 4.320 0.000 0.000 0.287 290 K C -2.258 173.499 176.600 -1.405 0.000 1.081 290 K CA -1.934 53.862 56.287 -0.818 0.000 0.910 290 K CB 0.343 32.541 32.500 -0.504 0.000 1.088 290 K HN 0.333 nan 8.250 nan 0.000 0.478 291 P HA 0.177 nan 4.420 nan 0.000 0.271 291 P C -0.177 176.612 177.300 -0.850 0.000 1.216 291 P CA -0.141 62.349 63.100 -1.017 0.000 0.776 291 P CB 0.867 32.112 31.700 -0.759 0.000 0.881 292 R N 1.313 121.425 120.500 -0.646 0.000 2.437 292 R HA 0.134 4.474 4.340 0.000 0.000 0.257 292 R C -0.002 176.109 176.300 -0.315 0.000 0.927 292 R CA -0.215 55.693 56.100 -0.320 0.000 1.078 292 R CB -0.323 29.936 30.300 -0.069 0.000 1.161 292 R HN 0.401 nan 8.270 nan 0.000 0.529 293 Y N -0.438 119.385 120.300 -0.795 0.000 3.396 293 Y HA -0.276 4.274 4.550 0.000 0.000 0.214 293 Y C 0.797 176.491 175.900 -0.343 0.000 1.203 293 Y CA 0.633 58.151 58.100 -0.970 0.000 1.401 293 Y CB -2.018 36.102 38.460 -0.567 0.000 1.409 293 Y HN 0.225 nan 8.280 nan 0.000 0.594 294 G N -0.432 108.376 108.800 0.013 0.000 2.521 294 G HA2 0.495 4.455 3.960 0.000 0.000 0.323 294 G HA3 0.495 4.455 3.960 0.000 0.000 0.323 294 G C 0.573 175.560 174.900 0.144 0.000 1.211 294 G CA -0.554 44.615 45.100 0.115 0.000 0.979 294 G HN 0.296 nan 8.290 nan 0.000 0.490 295 R N -1.146 119.335 120.500 -0.031 0.000 2.161 295 R HA 0.142 4.482 4.340 0.000 0.000 0.213 295 R C -0.061 175.822 176.300 -0.697 0.000 1.055 295 R CA 0.679 56.571 56.100 -0.346 0.000 0.996 295 R CB -0.032 29.945 30.300 -0.537 0.000 0.901 295 R HN 0.375 nan 8.270 nan 0.000 0.456 296 F N 0.974 120.905 119.950 -0.032 0.000 2.577 296 F HA 0.294 4.821 4.527 0.000 0.000 0.342 296 F C -1.079 174.702 175.800 -0.033 0.000 1.479 296 F CA -1.219 56.500 58.000 -0.468 0.000 1.110 296 F CB 0.783 39.313 39.000 -0.783 0.000 1.306 296 F HN -0.262 nan 8.300 nan 0.000 0.554 297 D N 1.628 122.231 120.400 0.338 0.000 2.316 297 D HA 0.191 4.831 4.640 0.000 0.000 0.245 297 D C 0.214 176.791 176.300 0.461 0.000 1.171 297 D CA 0.043 54.300 54.000 0.428 0.000 0.856 297 D CB 2.371 43.481 40.800 0.518 0.000 1.090 297 D HN -0.037 nan 8.370 nan 0.000 0.476 298 V N 3.947 124.090 119.914 0.383 0.000 2.485 298 V HA -0.022 4.098 4.120 0.000 0.000 0.287 298 V C 1.057 177.169 176.094 0.031 0.000 1.022 298 V CA -0.226 62.169 62.300 0.158 0.000 1.067 298 V CB 0.105 31.967 31.823 0.064 0.000 0.967 298 V HN 0.346 nan 8.190 nan 0.000 0.479 299 L N 8.593 129.741 121.223 -0.125 0.000 2.467 299 L HA 0.265 4.605 4.340 0.000 0.000 0.270 299 L C -1.655 175.018 176.870 -0.329 0.000 1.205 299 L CA -1.139 53.483 54.840 -0.363 0.000 0.828 299 L CB 0.475 42.420 42.059 -0.190 0.000 1.101 299 L HN 0.482 nan 8.230 nan 0.000 0.479 300 P HA 0.198 nan 4.420 nan 0.000 0.278 300 P C -1.043 176.199 177.300 -0.097 0.000 1.258 300 P CA -0.580 62.344 63.100 -0.292 0.000 0.811 300 P CB 0.981 32.398 31.700 -0.472 0.000 1.063 301 L N 0.963 122.207 121.223 0.035 0.000 2.319 301 L HA 0.242 4.582 4.340 0.000 0.000 0.280 301 L C 0.139 177.082 176.870 0.122 0.000 1.099 301 L CA -0.697 54.211 54.840 0.114 0.000 0.828 301 L CB 0.984 43.157 42.059 0.190 0.000 1.150 301 L HN 0.087 nan 8.230 nan 0.000 0.442 302 V N 6.086 126.083 119.914 0.139 0.000 2.294 302 V HA 0.331 4.451 4.120 0.000 0.000 0.272 302 V C 0.079 176.178 176.094 0.009 0.000 1.027 302 V CA -0.331 61.996 62.300 0.044 0.000 0.823 302 V CB 1.049 32.946 31.823 0.124 0.000 1.030 302 V HN 0.490 nan 8.190 nan 0.000 0.457 303 L N 4.820 126.044 121.223 0.002 0.000 2.296 303 L HA 0.612 4.953 4.340 0.000 0.000 0.286 303 L C -0.077 176.699 176.870 -0.157 0.000 1.023 303 L CA -0.354 54.469 54.840 -0.027 0.000 0.812 303 L CB 1.669 43.755 42.059 0.045 0.000 1.223 303 L HN 0.593 nan 8.230 nan 0.000 0.421 304 Q N 3.070 122.764 119.800 -0.177 0.000 2.347 304 Q HA 0.700 5.040 4.340 0.000 0.000 0.262 304 Q C -1.263 174.591 176.000 -0.244 0.000 0.980 304 Q CA -0.555 55.116 55.803 -0.220 0.000 0.867 304 Q CB 1.915 30.602 28.738 -0.084 0.000 1.242 304 Q HN 0.787 nan 8.270 nan 0.000 0.453 305 A N 3.763 126.380 122.820 -0.339 0.000 2.342 305 A HA 0.420 4.740 4.320 0.000 0.000 0.323 305 A C -0.261 176.850 177.584 -0.789 0.000 1.125 305 A CA -0.264 51.344 52.037 -0.716 0.000 0.785 305 A CB 1.076 19.867 19.000 -0.347 0.000 1.221 305 A HN 1.013 nan 8.150 nan 0.000 0.463 306 D N 1.187 120.699 120.400 -1.481 0.000 2.686 306 D HA -0.118 4.522 4.640 0.000 0.000 0.235 306 D C 1.239 177.447 176.300 -0.153 0.000 1.160 306 D CA 2.693 56.352 54.000 -0.569 0.000 0.645 306 D CB -1.087 39.584 40.800 -0.214 0.000 1.039 306 D HN 2.114 nan 8.370 nan 0.000 0.423 307 G N -0.831 107.864 108.800 -0.174 0.000 2.189 307 G HA2 -0.393 3.567 3.960 0.000 0.000 0.267 307 G HA3 -0.393 3.567 3.960 0.000 0.000 0.267 307 G C 0.337 175.234 174.900 -0.005 0.000 0.975 307 G CA 0.760 45.822 45.100 -0.063 0.000 0.644 307 G HN 0.635 nan 8.290 nan 0.000 0.537 308 Q N 0.590 120.357 119.800 -0.055 0.000 2.312 308 Q HA 0.440 4.780 4.340 0.000 0.000 0.236 308 Q C -0.252 175.713 176.000 -0.057 0.000 0.965 308 Q CA -0.766 55.025 55.803 -0.019 0.000 0.894 308 Q CB 0.562 29.273 28.738 -0.045 0.000 1.225 308 Q HN 0.327 nan 8.270 nan 0.000 0.478 309 D N 2.930 123.316 120.400 -0.022 0.000 2.548 309 D HA -0.005 4.635 4.640 0.000 0.000 0.231 309 D C -2.148 173.927 176.300 -0.374 0.000 1.142 309 D CA -0.478 53.401 54.000 -0.202 0.000 0.866 309 D CB 0.030 40.864 40.800 0.056 0.000 1.190 309 D HN 0.217 nan 8.370 nan 0.000 0.469 310 P HA 0.080 nan 4.420 nan 0.000 0.271 310 P C -0.801 176.260 177.300 -0.397 0.000 1.218 310 P CA -0.126 62.546 63.100 -0.713 0.000 0.780 310 P CB 0.845 31.665 31.700 -1.467 0.000 0.901 311 E N 0.736 120.771 120.200 -0.276 0.000 2.222 311 E HA 0.376 4.726 4.350 0.000 0.000 0.267 311 E C -0.686 175.697 176.600 -0.361 0.000 0.884 311 E CA -1.235 54.983 56.400 -0.303 0.000 0.764 311 E CB 2.018 31.539 29.700 -0.299 0.000 1.169 311 E HN 0.146 nan 8.360 nan 0.000 0.413 312 V N 3.257 122.908 119.914 -0.439 0.000 2.530 312 V HA 0.262 4.382 4.120 0.000 0.000 0.282 312 V C -0.651 175.078 176.094 -0.608 0.000 1.048 312 V CA -0.038 62.053 62.300 -0.349 0.000 0.997 312 V CB -0.203 31.500 31.823 -0.199 0.000 0.987 312 V HN 0.518 nan 8.190 nan 0.000 0.477 313 F N 2.147 121.942 119.950 -0.258 0.000 2.539 313 F HA 0.412 4.939 4.527 0.000 0.000 0.328 313 F C 0.485 176.134 175.800 -0.252 0.000 1.148 313 F CA -0.660 57.060 58.000 -0.467 0.000 0.940 313 F CB 1.421 39.828 39.000 -0.989 0.000 1.194 313 F HN 0.455 nan 8.300 nan 0.000 0.438 314 E N 3.618 123.836 120.200 0.029 0.000 2.373 314 E HA 0.267 4.617 4.350 0.000 0.000 0.267 314 E C -0.291 176.461 176.600 0.252 0.000 1.032 314 E CA -0.233 56.260 56.400 0.155 0.000 0.889 314 E CB 1.301 31.125 29.700 0.208 0.000 0.984 314 E HN 0.475 nan 8.360 nan 0.000 0.425 315 I N 4.701 125.412 120.570 0.235 0.000 2.496 315 I HA 0.096 4.266 4.170 0.000 0.000 0.285 315 I C -2.030 174.212 176.117 0.209 0.000 1.080 315 I CA -2.028 59.429 61.300 0.262 0.000 1.404 315 I CB 0.431 38.506 38.000 0.125 0.000 1.403 315 I HN 0.178 nan 8.210 nan 0.000 0.539 316 P HA 0.074 nan 4.420 nan 0.000 0.262 316 P C -2.020 175.338 177.300 0.097 0.000 1.199 316 P CA -0.837 62.350 63.100 0.145 0.000 0.763 316 P CB 0.204 31.969 31.700 0.108 0.000 0.790 317 P HA -0.219 nan 4.420 nan 0.000 0.217 317 P C 0.875 178.212 177.300 0.061 0.000 1.148 317 P CA 1.412 64.562 63.100 0.084 0.000 0.834 317 P CB 0.005 31.759 31.700 0.090 0.000 0.783 318 D N -1.026 119.406 120.400 0.052 0.000 2.218 318 D HA -0.079 4.561 4.640 0.000 0.000 0.204 318 D C 1.763 178.081 176.300 0.029 0.000 0.976 318 D CA 0.926 54.948 54.000 0.037 0.000 0.853 318 D CB -0.224 40.594 40.800 0.031 0.000 0.939 318 D HN 0.265 nan 8.370 nan 0.000 0.481 319 L N 0.482 121.722 121.223 0.028 0.000 2.492 319 L HA 0.015 4.355 4.340 0.000 0.000 0.223 319 L C 0.556 177.439 176.870 0.021 0.000 1.132 319 L CA 0.154 55.004 54.840 0.017 0.000 0.850 319 L CB 0.377 42.436 42.059 0.000 0.000 0.966 319 L HN -0.222 nan 8.230 nan 0.000 0.454 320 V N 2.026 121.957 119.914 0.027 0.000 2.320 320 V HA 0.147 4.267 4.120 0.000 0.000 0.265 320 V C 0.011 176.132 176.094 0.045 0.000 1.048 320 V CA -0.479 61.836 62.300 0.025 0.000 0.865 320 V CB 1.201 33.033 31.823 0.016 0.000 1.043 320 V HN 0.043 nan 8.190 nan 0.000 0.474 321 L N 5.867 127.121 121.223 0.051 0.000 2.331 321 L HA 0.502 4.842 4.340 0.000 0.000 0.278 321 L C 0.143 177.045 176.870 0.053 0.000 1.106 321 L CA 0.735 55.599 54.840 0.040 0.000 0.824 321 L CB 0.641 42.719 42.059 0.033 0.000 1.142 321 L HN 0.666 nan 8.230 nan 0.000 0.443 322 E N 3.294 123.505 120.200 0.019 0.000 2.320 322 E HA 0.632 4.982 4.350 0.000 0.000 0.264 322 E C -1.489 175.051 176.600 -0.099 0.000 0.923 322 E CA -1.080 55.325 56.400 0.009 0.000 0.796 322 E CB 2.486 32.220 29.700 0.056 0.000 1.262 322 E HN 0.366 nan 8.360 nan 0.000 0.428 323 V N 1.521 121.343 119.914 -0.153 0.000 2.444 323 V HA 0.233 4.353 4.120 0.000 0.000 0.294 323 V C -0.293 175.749 176.094 -0.087 0.000 1.022 323 V CA -0.755 61.403 62.300 -0.238 0.000 0.850 323 V CB 1.805 33.249 31.823 -0.631 0.000 0.992 323 V HN 0.686 nan 8.190 nan 0.000 0.426 324 T N 6.743 121.264 114.554 -0.054 0.000 2.851 324 T HA 0.313 4.664 4.350 0.000 0.000 0.298 324 T C 0.240 174.982 174.700 0.070 0.000 0.977 324 T CA -0.292 61.809 62.100 0.002 0.000 1.126 324 T CB 0.327 69.198 68.868 0.007 0.000 0.916 324 T HN 0.352 nan 8.240 nan 0.000 0.529 325 M N 4.064 123.753 119.600 0.149 0.000 2.184 325 M HA 0.313 4.793 4.480 0.000 0.000 0.351 325 M C 0.424 176.926 176.300 0.337 0.000 1.395 325 M CA 0.299 55.767 55.300 0.280 0.000 1.117 325 M CB -0.180 32.687 32.600 0.445 0.000 1.708 325 M HN 0.639 nan 8.290 nan 0.000 0.468 326 E N 1.051 121.394 120.200 0.238 0.000 2.343 326 E HA 0.386 4.736 4.350 0.000 0.000 0.270 326 E C -1.136 175.451 176.600 -0.022 0.000 0.895 326 E CA -0.748 55.777 56.400 0.208 0.000 0.767 326 E CB 2.675 32.494 29.700 0.198 0.000 1.248 326 E HN 0.503 nan 8.360 nan 0.000 0.440 327 H N 2.872 121.788 119.070 -0.256 0.000 2.469 327 H HA 0.229 4.785 4.556 0.000 0.000 0.342 327 H C -1.911 173.066 175.328 -0.587 0.000 1.115 327 H CA -2.340 53.381 56.048 -0.546 0.000 1.204 327 H CB 1.870 31.263 29.762 -0.615 0.000 1.492 327 H HN 0.319 nan 8.280 nan 0.000 0.499 328 P HA -0.092 nan 4.420 nan 0.000 0.228 328 P C 0.540 177.671 177.300 -0.282 0.000 1.151 328 P CA 0.979 63.605 63.100 -0.791 0.000 0.770 328 P CB 0.798 31.975 31.700 -0.872 0.000 0.786 329 K N -1.353 119.006 120.400 -0.068 0.000 2.485 329 K HA 0.135 4.455 4.320 0.000 0.000 0.200 329 K C 0.813 177.323 176.600 -0.150 0.000 1.344 329 K CA 0.245 56.439 56.287 -0.155 0.000 0.948 329 K CB -0.230 32.094 32.500 -0.294 0.000 1.454 329 K HN 0.237 nan 8.250 nan 0.000 0.502 330 Y N 3.313 123.395 120.300 -0.365 0.000 2.624 330 Y HA 0.043 4.594 4.550 0.000 0.000 0.354 330 Y C 1.297 176.840 175.900 -0.594 0.000 1.051 330 Y CA -0.418 57.237 58.100 -0.741 0.000 1.377 330 Y CB 0.283 37.836 38.460 -1.513 0.000 1.168 330 Y HN 0.100 nan 8.280 nan 0.000 0.525 331 E N 3.757 123.872 120.200 -0.142 0.000 2.204 331 E HA -0.195 4.155 4.350 0.000 0.000 0.195 331 E C 1.478 178.094 176.600 0.026 0.000 0.990 331 E CA 1.008 57.396 56.400 -0.020 0.000 0.821 331 E CB -0.064 29.674 29.700 0.063 0.000 0.750 331 E HN 0.871 nan 8.360 nan 0.000 0.477 332 W N -0.141 121.245 121.300 0.142 0.000 2.699 332 W HA -0.007 4.653 4.660 0.000 0.000 0.249 332 W C 1.346 177.924 176.519 0.097 0.000 1.280 332 W CA -0.251 57.141 57.345 0.079 0.000 1.345 332 W CB -0.788 28.675 29.460 0.005 0.000 1.128 332 W HN -0.058 nan 8.180 nan 0.000 0.642 333 F N 3.536 123.285 119.950 -0.336 0.000 2.134 333 F HA -0.306 4.221 4.527 0.000 0.000 0.299 333 F C 2.778 178.608 175.800 0.050 0.000 1.097 333 F CA 3.075 60.970 58.000 -0.175 0.000 1.264 333 F CB -0.383 38.443 39.000 -0.290 0.000 1.001 333 F HN -0.043 nan 8.300 nan 0.000 0.479 334 Q N 0.261 120.196 119.800 0.225 0.000 2.226 334 Q HA -0.219 4.121 4.340 0.000 0.000 0.204 334 Q C 1.481 177.537 176.000 0.094 0.000 0.975 334 Q CA 2.057 57.960 55.803 0.167 0.000 0.866 334 Q CB -1.157 27.666 28.738 0.142 0.000 0.915 334 Q HN 0.503 nan 8.270 nan 0.000 0.440 335 E N 0.444 120.710 120.200 0.110 0.000 2.401 335 E HA -0.064 4.286 4.350 0.000 0.000 0.199 335 E C 1.454 178.083 176.600 0.048 0.000 1.023 335 E CA 0.624 57.081 56.400 0.096 0.000 0.859 335 E CB -0.137 29.651 29.700 0.145 0.000 0.780 335 E HN 0.454 nan 8.360 nan 0.000 0.523 336 L N -0.359 120.853 121.223 -0.018 0.000 2.478 336 L HA 0.035 4.375 4.340 0.000 0.000 0.223 336 L C 1.396 178.255 176.870 -0.018 0.000 1.140 336 L CA 0.399 55.189 54.840 -0.084 0.000 0.842 336 L CB -0.288 41.584 42.059 -0.312 0.000 0.953 336 L HN 0.229 nan 8.230 nan 0.000 0.452 337 G N 1.053 109.865 108.800 0.021 0.000 2.273 337 G HA2 -0.279 3.681 3.960 0.000 0.000 0.280 337 G HA3 -0.279 3.681 3.960 0.000 0.000 0.280 337 G C -0.007 174.958 174.900 0.108 0.000 1.047 337 G CA 0.057 45.204 45.100 0.079 0.000 0.869 337 G HN 0.248 nan 8.290 nan 0.000 0.502 338 L N -0.796 120.429 121.223 0.003 0.000 2.344 338 L HA 0.862 5.202 4.340 0.000 0.000 0.272 338 L C 0.583 177.357 176.870 -0.159 0.000 1.035 338 L CA -0.716 54.072 54.840 -0.085 0.000 0.807 338 L CB 1.862 43.791 42.059 -0.216 0.000 1.237 338 L HN 0.523 nan 8.230 nan 0.000 0.442 339 K N 0.224 120.403 120.400 -0.369 0.000 2.617 339 K HA 0.487 4.807 4.320 0.000 0.000 0.293 339 K C -2.079 174.564 176.600 0.071 0.000 1.034 339 K CA -1.061 55.127 56.287 -0.164 0.000 0.884 339 K CB 2.120 34.432 32.500 -0.314 0.000 1.541 339 K HN 0.589 nan 8.250 nan 0.000 0.409 340 W N 1.506 122.795 121.300 -0.019 0.000 3.074 340 W HA 0.358 5.018 4.660 0.000 0.000 0.332 340 W C -1.327 175.253 176.519 0.102 0.000 1.253 340 W CA -0.783 56.611 57.345 0.081 0.000 1.180 340 W CB 1.599 30.990 29.460 -0.115 0.000 1.445 340 W HN 0.690 nan 8.180 nan 0.000 0.573 341 Y N 0.759 120.928 120.300 -0.218 0.000 2.300 341 Y HA 0.577 5.127 4.550 0.000 0.000 0.328 341 Y C 0.797 176.887 175.900 0.316 0.000 1.270 341 Y CA -0.051 58.028 58.100 -0.035 0.000 1.352 341 Y CB 0.165 38.487 38.460 -0.230 0.000 1.286 341 Y HN 0.331 nan 8.280 nan 0.000 0.536 342 A N 1.538 124.601 122.820 0.405 0.000 2.081 342 A HA 0.139 4.459 4.320 0.000 0.000 0.214 342 A C 0.317 178.262 177.584 0.602 0.000 1.158 342 A CA 0.199 52.536 52.037 0.499 0.000 0.724 342 A CB -0.228 18.906 19.000 0.224 0.000 0.826 342 A HN 0.635 nan 8.150 nan 0.000 0.463 343 L N 2.027 123.557 121.223 0.512 0.000 2.277 343 L HA 0.435 4.775 4.340 0.000 0.000 0.284 343 L C -2.618 174.398 176.870 0.244 0.000 1.028 343 L CA -2.216 52.817 54.840 0.321 0.000 0.835 343 L CB 1.641 43.812 42.059 0.187 0.000 1.215 343 L HN -0.043 nan 8.230 nan 0.000 0.425 344 P HA 0.436 nan 4.420 nan 0.000 0.297 344 P C -1.531 175.675 177.300 -0.157 0.000 1.342 344 P CA -0.356 62.567 63.100 -0.295 0.000 0.801 344 P CB 1.531 32.651 31.700 -0.968 0.000 0.920 345 A N 4.023 126.771 122.820 -0.119 0.000 2.408 345 A HA 0.484 4.804 4.320 0.000 0.000 0.295 345 A C -0.593 176.818 177.584 -0.289 0.000 1.040 345 A CA -0.666 51.251 52.037 -0.199 0.000 0.707 345 A CB 1.406 20.288 19.000 -0.197 0.000 1.235 345 A HN 0.276 nan 8.150 nan 0.000 0.418 346 V N 2.185 121.799 119.914 -0.500 0.000 2.488 346 V HA 0.422 4.542 4.120 0.000 0.000 0.277 346 V C 1.197 176.919 176.094 -0.620 0.000 1.046 346 V CA 0.864 62.801 62.300 -0.606 0.000 0.986 346 V CB 1.002 32.242 31.823 -0.972 0.000 0.989 346 V HN 1.191 nan 8.190 nan 0.000 0.475 347 A N 4.194 126.798 122.820 -0.360 0.000 2.259 347 A HA 0.136 4.456 4.320 0.000 0.000 0.213 347 A C 1.321 178.811 177.584 -0.158 0.000 1.209 347 A CA 0.387 52.276 52.037 -0.247 0.000 0.910 347 A CB -0.037 18.865 19.000 -0.163 0.000 0.946 347 A HN 0.825 nan 8.150 nan 0.000 0.497 348 N N -0.695 117.914 118.700 -0.151 0.000 2.234 348 N HA 0.247 4.987 4.740 0.000 0.000 0.227 348 N C 0.006 175.507 175.510 -0.015 0.000 1.151 348 N CA -0.115 52.893 53.050 -0.070 0.000 0.865 348 N CB -0.282 38.158 38.487 -0.078 0.000 1.066 348 N HN 0.361 nan 8.380 nan 0.000 0.515 349 M N 0.290 119.872 119.600 -0.030 0.000 2.494 349 M HA 0.394 4.875 4.480 0.000 0.000 0.300 349 M C -0.530 175.876 176.300 0.177 0.000 1.189 349 M CA -0.933 54.424 55.300 0.095 0.000 0.982 349 M CB 1.845 34.504 32.600 0.099 0.000 1.534 349 M HN 0.077 nan 8.290 nan 0.000 0.488 350 L N 1.894 123.274 121.223 0.261 0.000 2.362 350 L HA 0.563 4.904 4.340 0.000 0.000 0.275 350 L C -1.585 175.524 176.870 0.400 0.000 0.998 350 L CA -1.022 53.999 54.840 0.301 0.000 0.820 350 L CB 1.574 43.771 42.059 0.229 0.000 1.270 350 L HN 0.573 nan 8.230 nan 0.000 0.415 351 L N 4.900 126.367 121.223 0.406 0.000 2.265 351 L HA 0.469 4.809 4.340 0.000 0.000 0.288 351 L C -0.455 176.595 176.870 0.300 0.000 1.058 351 L CA 0.393 55.425 54.840 0.320 0.000 0.809 351 L CB 1.001 43.221 42.059 0.268 0.000 1.179 351 L HN 0.626 nan 8.230 nan 0.000 0.429 352 E N 4.986 125.306 120.200 0.199 0.000 2.158 352 E HA 0.544 4.894 4.350 0.000 0.000 0.271 352 E C -1.892 174.726 176.600 0.030 0.000 0.911 352 E CA -0.410 56.086 56.400 0.160 0.000 0.767 352 E CB 1.872 31.751 29.700 0.300 0.000 1.120 352 E HN 0.520 nan 8.360 nan 0.000 0.405 353 V N 2.952 122.847 119.914 -0.032 0.000 2.852 353 V HA 0.480 4.600 4.120 0.000 0.000 0.300 353 V C 0.295 176.269 176.094 -0.201 0.000 1.205 353 V CA 0.418 62.593 62.300 -0.208 0.000 0.940 353 V CB 1.481 33.067 31.823 -0.396 0.000 1.047 353 V HN 0.861 nan 8.190 nan 0.000 0.429 354 G N 4.178 112.903 108.800 -0.124 0.000 2.416 354 G HA2 0.077 4.037 3.960 0.000 0.000 0.301 354 G HA3 0.077 4.037 3.960 0.000 0.000 0.301 354 G C 1.636 176.693 174.900 0.262 0.000 0.985 354 G CA 1.551 46.765 45.100 0.190 0.000 0.934 354 G HN 2.775 nan 8.290 nan 0.000 0.513 355 G N -2.178 106.693 108.800 0.118 0.000 2.225 355 G HA2 -0.244 3.716 3.960 0.000 0.000 0.254 355 G HA3 -0.244 3.716 3.960 0.000 0.000 0.254 355 G C 0.522 175.445 174.900 0.038 0.000 0.988 355 G CA 0.575 45.762 45.100 0.144 0.000 0.625 355 G HN 1.258 nan 8.290 nan 0.000 0.527 356 L N 0.260 121.454 121.223 -0.048 0.000 2.399 356 L HA 0.738 5.078 4.340 0.000 0.000 0.265 356 L C 0.329 177.056 176.870 -0.238 0.000 1.089 356 L CA -0.644 54.060 54.840 -0.226 0.000 0.802 356 L CB 1.188 43.006 42.059 -0.402 0.000 1.180 356 L HN 0.157 nan 8.230 nan 0.000 0.454 357 E N 1.230 121.203 120.200 -0.378 0.000 2.246 357 E HA 0.395 4.745 4.350 0.000 0.000 0.266 357 E C -1.667 174.705 176.600 -0.380 0.000 0.880 357 E CA -0.395 55.866 56.400 -0.232 0.000 0.762 357 E CB 2.047 31.675 29.700 -0.120 0.000 1.180 357 E HN 0.256 nan 8.360 nan 0.000 0.416 358 F N 3.340 123.311 119.950 0.035 0.000 2.311 358 F HA 0.309 4.836 4.527 0.000 0.000 0.371 358 F C -1.808 174.060 175.800 0.113 0.000 1.083 358 F CA -2.133 55.906 58.000 0.064 0.000 1.113 358 F CB 1.380 40.412 39.000 0.053 0.000 1.349 358 F HN 0.351 nan 8.300 nan 0.000 0.470 359 P HA -0.042 nan 4.420 nan 0.000 0.230 359 P C -0.140 177.290 177.300 0.216 0.000 1.158 359 P CA 0.675 63.887 63.100 0.187 0.000 0.769 359 P CB 0.463 32.247 31.700 0.141 0.000 0.807 360 A N 0.100 123.098 122.820 0.296 0.000 2.410 360 A HA 0.561 4.881 4.320 0.000 0.000 0.289 360 A C -0.379 177.450 177.584 0.408 0.000 1.200 360 A CA -0.447 51.779 52.037 0.315 0.000 0.751 360 A CB 0.292 19.473 19.000 0.303 0.000 1.161 360 A HN 0.249 nan 8.150 nan 0.000 0.459 361 C N 0.989 120.463 119.300 0.290 0.000 3.166 361 C HA 0.476 4.936 4.460 0.000 0.000 0.277 361 C C -2.835 172.232 174.990 0.128 0.000 0.984 361 C CA -1.498 57.656 59.018 0.227 0.000 1.142 361 C CB -0.245 27.628 27.740 0.221 0.000 1.721 361 C HN 0.592 nan 8.230 nan 0.000 0.628 362 P HA 0.398 nan 4.420 nan 0.000 0.268 362 P C -0.661 176.604 177.300 -0.057 0.000 1.205 362 P CA 0.863 63.860 63.100 -0.171 0.000 0.771 362 P CB 0.640 32.254 31.700 -0.143 0.000 0.858 363 F N 0.093 119.965 119.950 -0.129 0.000 2.626 363 F HA 0.668 5.195 4.527 0.000 0.000 0.311 363 F C -0.749 174.951 175.800 -0.167 0.000 1.088 363 F CA -1.201 56.730 58.000 -0.114 0.000 0.949 363 F CB 1.602 40.397 39.000 -0.341 0.000 1.322 363 F HN 0.371 nan 8.300 nan 0.000 0.461 364 N N -0.096 118.701 118.700 0.161 0.000 2.610 364 N HA 0.770 5.510 4.740 0.000 0.000 0.264 364 N C -1.201 174.237 175.510 -0.121 0.000 1.348 364 N CA -0.409 52.653 53.050 0.020 0.000 0.819 364 N CB 2.030 40.577 38.487 0.101 0.000 1.521 364 N HN 1.079 nan 8.380 nan 0.000 0.497 365 G N -0.934 107.754 108.800 -0.187 0.000 3.137 365 G HA2 0.656 4.616 3.960 0.000 0.000 0.196 365 G HA3 0.656 4.616 3.960 0.000 0.000 0.196 365 G C -1.795 173.042 174.900 -0.104 0.000 1.135 365 G CA -0.670 44.225 45.100 -0.340 0.000 0.803 365 G HN 0.705 nan 8.290 nan 0.000 0.619 366 W N -1.697 119.598 121.300 -0.008 0.000 2.929 366 W HA 0.831 5.491 4.660 0.000 0.000 0.345 366 W C -1.395 175.112 176.519 -0.021 0.000 1.151 366 W CA -2.088 55.267 57.345 0.016 0.000 1.111 366 W CB 0.363 29.872 29.460 0.083 0.000 1.449 366 W HN 0.401 nan 8.180 nan 0.000 0.572 367 Y N 2.036 122.522 120.300 0.310 0.000 2.326 367 Y HA 0.312 4.862 4.550 0.000 0.000 0.333 367 Y C 0.654 176.595 175.900 0.069 0.000 1.240 367 Y CA -0.679 57.472 58.100 0.086 0.000 1.365 367 Y CB 1.176 39.576 38.460 -0.099 0.000 1.289 367 Y HN 0.387 nan 8.280 nan 0.000 0.548 368 M N 1.893 121.633 119.600 0.233 0.000 2.294 368 M HA 0.371 4.851 4.480 0.000 0.000 0.335 368 M C 1.078 177.352 176.300 -0.043 0.000 1.079 368 M CA -0.173 55.188 55.300 0.100 0.000 0.982 368 M CB 1.442 34.086 32.600 0.073 0.000 1.651 368 M HN 0.845 nan 8.290 nan 0.000 0.437 369 G N 1.508 110.237 108.800 -0.118 0.000 2.547 369 G HA2 -0.308 3.652 3.960 0.000 0.000 0.221 369 G HA3 -0.308 3.652 3.960 0.000 0.000 0.221 369 G C 1.129 175.854 174.900 -0.290 0.000 1.140 369 G CA 1.856 46.807 45.100 -0.248 0.000 0.760 369 G HN 0.876 nan 8.290 nan 0.000 0.583 370 T N -0.708 113.698 114.554 -0.247 0.000 2.881 370 T HA -0.044 4.306 4.350 0.000 0.000 0.270 370 T C 1.935 176.448 174.700 -0.311 0.000 1.068 370 T CA 1.581 63.489 62.100 -0.320 0.000 1.131 370 T CB -0.302 68.322 68.868 -0.405 0.000 0.871 370 T HN 0.544 nan 8.240 nan 0.000 0.479 371 E N 1.013 121.057 120.200 -0.261 0.000 2.085 371 E HA -0.086 4.264 4.350 0.000 0.000 0.194 371 E C 2.094 178.403 176.600 -0.485 0.000 0.994 371 E CA 1.508 57.763 56.400 -0.241 0.000 0.801 371 E CB -0.340 29.360 29.700 0.000 0.000 0.743 371 E HN 0.598 nan 8.360 nan 0.000 0.453 372 I N 0.266 120.387 120.570 -0.748 0.000 2.364 372 I HA -0.048 4.122 4.170 0.000 0.000 0.241 372 I C 2.644 178.145 176.117 -1.028 0.000 1.082 372 I CA 0.845 61.405 61.300 -1.233 0.000 1.401 372 I CB -0.589 36.551 38.000 -1.433 0.000 1.126 372 I HN 0.101 nan 8.210 nan 0.000 0.429 373 G N 0.657 109.092 108.800 -0.608 0.000 2.442 373 G HA2 -0.155 3.805 3.960 0.000 0.000 0.219 373 G HA3 -0.155 3.805 3.960 0.000 0.000 0.219 373 G C 1.563 176.384 174.900 -0.132 0.000 1.141 373 G CA 1.283 46.237 45.100 -0.243 0.000 0.763 373 G HN 0.248 nan 8.290 nan 0.000 0.554 374 V N -0.100 119.680 119.914 -0.223 0.000 2.599 374 V HA 0.103 4.223 4.120 0.000 0.000 0.237 374 V C 2.749 178.761 176.094 -0.137 0.000 1.081 374 V CA 0.796 63.006 62.300 -0.152 0.000 1.107 374 V CB -0.235 31.470 31.823 -0.197 0.000 0.808 374 V HN 0.099 nan 8.190 nan 0.000 0.486 375 R N 0.830 121.209 120.500 -0.201 0.000 2.056 375 R HA -0.040 4.301 4.340 0.000 0.000 0.227 375 R C 1.974 178.204 176.300 -0.118 0.000 1.149 375 R CA 1.566 57.576 56.100 -0.150 0.000 0.937 375 R CB -1.163 29.037 30.300 -0.167 0.000 0.835 375 R HN 0.472 nan 8.270 nan 0.000 0.430 376 D N 0.439 120.665 120.400 -0.290 0.000 2.104 376 D HA -0.141 4.499 4.640 0.000 0.000 0.194 376 D C 1.882 178.221 176.300 0.065 0.000 0.994 376 D CA 1.201 55.025 54.000 -0.293 0.000 0.830 376 D CB -0.191 39.908 40.800 -1.167 0.000 0.959 376 D HN 0.101 nan 8.370 nan 0.000 0.452 377 F N 0.183 120.056 119.950 -0.129 0.000 2.335 377 F HA 0.043 4.570 4.527 0.000 0.000 0.296 377 F C 2.366 178.217 175.800 0.087 0.000 1.091 377 F CA -0.247 57.771 58.000 0.030 0.000 1.399 377 F CB -0.671 38.329 39.000 0.000 0.000 1.067 377 F HN 0.032 nan 8.300 nan 0.000 0.520 378 C N -1.128 118.299 119.300 0.212 0.000 2.912 378 C HA 0.196 4.656 4.460 0.000 0.000 0.274 378 C C 0.401 175.442 174.990 0.086 0.000 1.248 378 C CA -0.668 58.431 59.018 0.135 0.000 1.694 378 C CB -0.676 27.110 27.740 0.077 0.000 2.024 378 C HN 0.063 nan 8.230 nan 0.000 0.605 379 D N 1.890 122.336 120.400 0.077 0.000 2.424 379 D HA 0.085 4.725 4.640 0.000 0.000 0.244 379 D C 1.550 177.897 176.300 0.078 0.000 1.134 379 D CA 0.457 54.489 54.000 0.053 0.000 0.881 379 D CB 1.108 41.935 40.800 0.045 0.000 1.191 379 D HN 0.408 nan 8.370 nan 0.000 0.445 380 T N -0.217 114.370 114.554 0.056 0.000 2.833 380 T HA -0.246 4.104 4.350 0.000 0.000 0.269 380 T C 1.320 176.054 174.700 0.056 0.000 1.054 380 T CA 0.821 62.957 62.100 0.060 0.000 1.135 380 T CB -0.022 68.875 68.868 0.048 0.000 0.869 380 T HN 0.440 nan 8.240 nan 0.000 0.466 381 Q N 0.917 120.748 119.800 0.052 0.000 2.280 381 Q HA 0.205 4.545 4.340 0.000 0.000 0.202 381 Q C 0.784 176.818 176.000 0.057 0.000 0.903 381 Q CA -0.099 55.731 55.803 0.046 0.000 0.948 381 Q CB 0.100 28.863 28.738 0.041 0.000 1.058 381 Q HN 0.386 nan 8.270 nan 0.000 0.493 382 R N -0.505 120.047 120.500 0.087 0.000 2.624 382 R HA 0.257 4.597 4.340 0.000 0.000 0.104 382 R C 1.221 177.572 176.300 0.085 0.000 1.178 382 R CA -0.305 55.877 56.100 0.137 0.000 0.986 382 R CB -1.050 29.398 30.300 0.246 0.000 0.855 382 R HN 0.085 nan 8.270 nan 0.000 0.386 383 Y N 1.555 121.988 120.300 0.221 0.000 2.561 383 Y HA 0.008 4.558 4.550 0.000 0.000 0.291 383 Y C 0.529 176.517 175.900 0.146 0.000 1.141 383 Y CA 0.481 58.714 58.100 0.221 0.000 1.303 383 Y CB -0.354 38.326 38.460 0.366 0.000 1.015 383 Y HN 0.458 nan 8.280 nan 0.000 0.547 384 N N 0.995 119.838 118.700 0.238 0.000 2.689 384 N HA -0.233 4.507 4.740 0.000 0.000 0.263 384 N C 0.396 175.996 175.510 0.151 0.000 0.987 384 N CA 0.831 53.977 53.050 0.160 0.000 0.782 384 N CB -1.205 37.344 38.487 0.103 0.000 0.903 384 N HN 0.661 nan 8.380 nan 0.000 0.547 385 I N -3.222 117.450 120.570 0.169 0.000 3.883 385 I HA 0.126 4.296 4.170 0.000 0.000 0.326 385 I C 1.694 177.892 176.117 0.136 0.000 1.283 385 I CA -0.404 60.965 61.300 0.114 0.000 1.161 385 I CB -0.066 37.958 38.000 0.039 0.000 1.012 385 I HN 0.163 nan 8.210 nan 0.000 0.421 386 L N 1.942 123.267 121.223 0.170 0.000 1.997 386 L HA -0.260 4.080 4.340 0.000 0.000 0.216 386 L C 2.555 179.628 176.870 0.338 0.000 1.074 386 L CA 2.296 57.266 54.840 0.216 0.000 0.763 386 L CB -0.809 41.335 42.059 0.141 0.000 0.890 386 L HN 0.484 nan 8.230 nan 0.000 0.434 387 E N -0.847 119.544 120.200 0.317 0.000 2.058 387 E HA -0.313 4.037 4.350 0.000 0.000 0.194 387 E C 2.146 178.767 176.600 0.035 0.000 0.997 387 E CA 1.513 58.055 56.400 0.237 0.000 0.801 387 E CB -0.174 29.601 29.700 0.124 0.000 0.746 387 E HN 0.671 nan 8.360 nan 0.000 0.450 388 E N -0.157 120.060 120.200 0.029 0.000 2.085 388 E HA -0.188 4.162 4.350 0.000 0.000 0.194 388 E C 2.046 178.607 176.600 -0.066 0.000 0.994 388 E CA 1.499 57.871 56.400 -0.046 0.000 0.801 388 E CB 0.120 29.801 29.700 -0.032 0.000 0.743 388 E HN 0.161 nan 8.360 nan 0.000 0.453 389 V N 0.575 120.520 119.914 0.052 0.000 2.515 389 V HA -0.155 3.965 4.120 0.000 0.000 0.250 389 V C 2.356 178.496 176.094 0.077 0.000 1.058 389 V CA 1.677 64.055 62.300 0.131 0.000 1.064 389 V CB -0.847 31.160 31.823 0.306 0.000 0.675 389 V HN 0.505 nan 8.190 nan 0.000 0.461 390 G N 0.333 109.208 108.800 0.126 0.000 2.459 390 G HA2 -0.248 3.712 3.960 0.000 0.000 0.217 390 G HA3 -0.248 3.712 3.960 0.000 0.000 0.217 390 G C 1.726 176.507 174.900 -0.198 0.000 1.183 390 G CA 0.776 45.914 45.100 0.063 0.000 0.776 390 G HN 0.434 nan 8.290 nan 0.000 0.552 391 R N -0.114 120.210 120.500 -0.293 0.000 2.081 391 R HA -0.009 4.331 4.340 0.000 0.000 0.235 391 R C 2.744 178.803 176.300 -0.402 0.000 1.131 391 R CA 0.942 56.840 56.100 -0.336 0.000 0.960 391 R CB -0.333 29.788 30.300 -0.299 0.000 0.856 391 R HN 0.190 nan 8.270 nan 0.000 0.436 392 R N 0.598 120.773 120.500 -0.542 0.000 2.105 392 R HA -0.076 4.264 4.340 0.000 0.000 0.239 392 R C 2.016 177.745 176.300 -0.950 0.000 1.135 392 R CA 1.349 56.828 56.100 -1.034 0.000 0.967 392 R CB -0.329 28.915 30.300 -1.760 0.000 0.861 392 R HN 0.334 nan 8.270 nan 0.000 0.442 393 M N -0.454 118.841 119.600 -0.509 0.000 2.618 393 M HA 0.113 4.593 4.480 0.000 0.000 0.240 393 M C 0.603 176.788 176.300 -0.192 0.000 1.123 393 M CA 0.602 55.745 55.300 -0.263 0.000 1.060 393 M CB 0.374 32.962 32.600 -0.021 0.000 1.535 393 M HN 0.311 nan 8.290 nan 0.000 0.507 394 G N 2.280 110.931 108.800 -0.248 0.000 2.314 394 G HA2 -0.233 3.727 3.960 0.000 0.000 0.292 394 G HA3 -0.233 3.727 3.960 0.000 0.000 0.292 394 G C -0.249 174.571 174.900 -0.133 0.000 1.059 394 G CA -0.077 44.909 45.100 -0.189 0.000 0.982 394 G HN 0.408 nan 8.290 nan 0.000 0.505 395 L N -1.215 119.917 121.223 -0.152 0.000 2.400 395 L HA 0.476 4.816 4.340 0.000 0.000 0.264 395 L C 0.978 177.705 176.870 -0.238 0.000 1.061 395 L CA -1.010 53.766 54.840 -0.106 0.000 0.799 395 L CB 0.815 42.890 42.059 0.026 0.000 1.240 395 L HN 0.182 nan 8.230 nan 0.000 0.461 396 E N 0.177 120.278 120.200 -0.165 0.000 2.222 396 E HA -0.019 4.331 4.350 0.000 0.000 0.312 396 E C 0.740 177.013 176.600 -0.544 0.000 1.263 396 E CA -0.040 56.233 56.400 -0.211 0.000 1.356 396 E CB -0.093 29.586 29.700 -0.035 0.000 1.180 396 E HN 0.632 nan 8.360 nan 0.000 0.494 397 T N -1.833 112.110 114.554 -1.018 0.000 3.139 397 T HA -0.144 4.206 4.350 0.000 0.000 0.267 397 T C 0.919 174.968 174.700 -1.085 0.000 1.164 397 T CA 0.712 61.658 62.100 -1.924 0.000 1.075 397 T CB -0.068 67.755 68.868 -1.741 0.000 0.904 397 T HN 0.396 nan 8.240 nan 0.000 0.540 398 H N 0.139 118.997 119.070 -0.354 0.000 2.672 398 H HA 0.297 4.853 4.556 0.000 0.000 0.277 398 H C -0.131 175.203 175.328 0.010 0.000 1.074 398 H CA -0.082 55.898 56.048 -0.114 0.000 1.173 398 H CB 0.750 30.449 29.762 -0.106 0.000 1.558 398 H HN 0.346 nan 8.280 nan 0.000 0.539 399 T N 1.962 116.600 114.554 0.141 0.000 3.009 399 T HA 0.214 4.564 4.350 0.000 0.000 0.346 399 T C 1.473 176.358 174.700 0.309 0.000 1.092 399 T CA -0.355 61.857 62.100 0.187 0.000 1.080 399 T CB 1.304 70.247 68.868 0.125 0.000 1.037 399 T HN 0.066 nan 8.240 nan 0.000 0.487 400 L N 1.707 123.099 121.223 0.281 0.000 2.021 400 L HA -0.208 4.132 4.340 0.000 0.000 0.215 400 L C 2.822 179.774 176.870 0.136 0.000 1.074 400 L CA 1.733 56.703 54.840 0.217 0.000 0.760 400 L CB -0.443 41.688 42.059 0.120 0.000 0.889 400 L HN 0.729 nan 8.230 nan 0.000 0.433 401 A N -0.351 122.538 122.820 0.115 0.000 2.186 401 A HA -0.190 4.130 4.320 0.000 0.000 0.219 401 A C 2.374 180.014 177.584 0.095 0.000 1.159 401 A CA 1.628 53.714 52.037 0.081 0.000 0.680 401 A CB -0.572 18.468 19.000 0.067 0.000 0.787 401 A HN 0.591 nan 8.150 nan 0.000 0.467 402 S N -0.655 115.138 115.700 0.155 0.000 2.515 402 S HA 0.088 4.558 4.470 0.000 0.000 0.231 402 S C 0.896 175.585 174.600 0.148 0.000 0.987 402 S CA 0.682 58.980 58.200 0.162 0.000 0.936 402 S CB -0.719 62.613 63.200 0.220 0.000 0.766 402 S HN 0.877 nan 8.310 nan 0.000 0.528 403 L N 0.422 121.704 121.223 0.099 0.000 3.865 403 L HA -0.170 4.170 4.340 0.000 0.000 0.408 403 L C 1.605 178.481 176.870 0.011 0.000 1.209 403 L CA 0.736 55.575 54.840 -0.002 0.000 0.940 403 L CB -2.581 39.487 42.059 0.015 0.000 1.971 403 L HN 0.753 nan 8.230 nan 0.000 0.899 404 W N 0.154 121.465 121.300 0.020 0.000 2.374 404 W HA -0.132 4.528 4.660 0.000 0.000 0.288 404 W C 1.695 178.232 176.519 0.030 0.000 1.218 404 W CA 1.260 58.616 57.345 0.019 0.000 1.245 404 W CB -0.690 28.766 29.460 -0.006 0.000 1.126 404 W HN 0.269 nan 8.180 nan 0.000 0.545 405 K N 0.878 120.701 120.400 -0.962 0.000 2.057 405 K HA -0.158 4.162 4.320 0.000 0.000 0.207 405 K C 1.675 178.094 176.600 -0.302 0.000 1.049 405 K CA 2.030 57.786 56.287 -0.884 0.000 0.931 405 K CB -0.372 31.543 32.500 -0.976 0.000 0.714 405 K HN 0.119 nan 8.250 nan 0.000 0.440 406 D N 0.469 120.750 120.400 -0.199 0.000 2.117 406 D HA -0.141 4.499 4.640 0.000 0.000 0.197 406 D C 2.002 178.308 176.300 0.011 0.000 0.987 406 D CA 1.053 55.009 54.000 -0.073 0.000 0.829 406 D CB -0.003 40.770 40.800 -0.045 0.000 0.961 406 D HN 0.203 nan 8.370 nan 0.000 0.460 407 R N 0.736 121.269 120.500 0.056 0.000 2.092 407 R HA -0.020 4.320 4.340 0.000 0.000 0.231 407 R C 2.381 178.787 176.300 0.176 0.000 1.119 407 R CA 0.971 57.147 56.100 0.127 0.000 0.970 407 R CB -0.118 30.279 30.300 0.163 0.000 0.864 407 R HN 0.069 nan 8.270 nan 0.000 0.440 408 A N 0.504 123.434 122.820 0.184 0.000 1.855 408 A HA -0.114 4.206 4.320 0.000 0.000 0.215 408 A C 2.229 179.938 177.584 0.209 0.000 1.191 408 A CA 1.279 53.465 52.037 0.248 0.000 0.613 408 A CB -0.823 18.353 19.000 0.292 0.000 0.829 408 A HN 0.191 nan 8.150 nan 0.000 0.442 409 V N 0.064 120.045 119.914 0.112 0.000 2.469 409 V HA -0.210 3.910 4.120 0.000 0.000 0.251 409 V C 2.524 178.676 176.094 0.097 0.000 1.064 409 V CA 2.902 65.255 62.300 0.089 0.000 1.066 409 V CB -0.851 30.976 31.823 0.006 0.000 0.667 409 V HN 0.654 nan 8.190 nan 0.000 0.461 410 T N -0.250 114.366 114.554 0.103 0.000 2.777 410 T HA -0.123 4.227 4.350 0.000 0.000 0.266 410 T C 1.795 176.570 174.700 0.125 0.000 1.040 410 T CA 1.496 63.659 62.100 0.104 0.000 1.141 410 T CB -0.233 68.697 68.868 0.103 0.000 0.868 410 T HN 0.494 nan 8.240 nan 0.000 0.444 411 E N 0.928 121.247 120.200 0.199 0.000 2.150 411 E HA 0.017 4.367 4.350 0.000 0.000 0.193 411 E C 2.196 178.913 176.600 0.194 0.000 0.985 411 E CA 0.623 57.187 56.400 0.274 0.000 0.814 411 E CB -0.363 29.593 29.700 0.427 0.000 0.752 411 E HN 0.533 nan 8.360 nan 0.000 0.466 412 I N 1.421 122.133 120.570 0.235 0.000 2.252 412 I HA -0.235 3.935 4.170 0.000 0.000 0.245 412 I C 2.005 178.180 176.117 0.096 0.000 1.102 412 I CA 0.723 62.172 61.300 0.248 0.000 1.385 412 I CB -0.274 37.942 38.000 0.360 0.000 1.064 412 I HN 0.026 nan 8.210 nan 0.000 0.414 413 N N 0.625 119.358 118.700 0.056 0.000 2.166 413 N HA -0.121 4.619 4.740 0.000 0.000 0.186 413 N C 1.926 177.413 175.510 -0.038 0.000 1.019 413 N CA 1.114 54.161 53.050 -0.006 0.000 0.856 413 N CB -0.218 38.272 38.487 0.004 0.000 0.993 413 N HN 0.160 nan 8.380 nan 0.000 0.426 414 V N 1.488 121.361 119.914 -0.068 0.000 2.427 414 V HA -0.165 3.955 4.120 0.000 0.000 0.248 414 V C 2.418 178.349 176.094 -0.272 0.000 1.051 414 V CA 1.656 63.853 62.300 -0.170 0.000 1.048 414 V CB -0.863 30.808 31.823 -0.254 0.000 0.666 414 V HN 0.262 nan 8.190 nan 0.000 0.456 415 A N -0.054 122.547 122.820 -0.364 0.000 1.858 415 A HA -0.175 4.145 4.320 0.000 0.000 0.216 415 A C 2.417 179.941 177.584 -0.100 0.000 1.190 415 A CA 2.191 53.964 52.037 -0.440 0.000 0.617 415 A CB -0.798 17.641 19.000 -0.936 0.000 0.827 415 A HN 0.309 nan 8.150 nan 0.000 0.443 416 V N 0.168 120.073 119.914 -0.014 0.000 2.255 416 V HA -0.303 3.817 4.120 0.000 0.000 0.247 416 V C 2.621 178.759 176.094 0.073 0.000 1.051 416 V CA 2.200 64.542 62.300 0.070 0.000 1.018 416 V CB -0.828 30.951 31.823 -0.073 0.000 0.641 416 V HN 0.574 nan 8.190 nan 0.000 0.445 417 L N -0.700 120.512 121.223 -0.018 0.000 2.017 417 L HA -0.220 4.120 4.340 0.000 0.000 0.208 417 L C 2.652 179.548 176.870 0.043 0.000 1.073 417 L CA 2.132 56.967 54.840 -0.008 0.000 0.745 417 L CB -0.989 41.056 42.059 -0.024 0.000 0.894 417 L HN 0.505 nan 8.230 nan 0.000 0.432 418 H N -0.029 118.992 119.070 -0.081 0.000 2.352 418 H HA -0.161 4.395 4.556 0.000 0.000 0.299 418 H C 2.245 177.555 175.328 -0.030 0.000 1.097 418 H CA 1.996 57.985 56.048 -0.098 0.000 1.311 418 H CB 0.314 29.945 29.762 -0.217 0.000 1.377 418 H HN 0.267 nan 8.280 nan 0.000 0.504 419 S N 0.193 115.865 115.700 -0.047 0.000 2.355 419 S HA -0.105 4.365 4.470 0.000 0.000 0.222 419 S C 2.010 176.589 174.600 -0.034 0.000 1.031 419 S CA 1.160 59.325 58.200 -0.060 0.000 0.993 419 S CB -0.519 62.733 63.200 0.086 0.000 0.859 419 S HN 0.285 nan 8.310 nan 0.000 0.453 420 F N 2.073 121.968 119.950 -0.091 0.000 2.134 420 F HA -0.118 4.409 4.527 0.000 0.000 0.299 420 F C 2.658 178.401 175.800 -0.094 0.000 1.097 420 F CA 1.135 59.097 58.000 -0.064 0.000 1.264 420 F CB -0.667 38.311 39.000 -0.037 0.000 1.001 420 F HN 0.215 nan 8.300 nan 0.000 0.479 421 Q N -0.110 119.727 119.800 0.061 0.000 2.050 421 Q HA -0.245 4.095 4.340 0.000 0.000 0.202 421 Q C 2.273 178.208 176.000 -0.108 0.000 0.980 421 Q CA 1.759 57.541 55.803 -0.035 0.000 0.840 421 Q CB -0.303 28.399 28.738 -0.060 0.000 0.898 421 Q HN 0.313 nan 8.270 nan 0.000 0.424 422 K N 0.666 120.937 120.400 -0.215 0.000 2.097 422 K HA -0.186 4.134 4.320 0.000 0.000 0.206 422 K C 1.320 177.837 176.600 -0.139 0.000 1.049 422 K CA 1.273 57.427 56.287 -0.221 0.000 0.933 422 K CB 0.157 32.441 32.500 -0.360 0.000 0.717 422 K HN 0.171 nan 8.250 nan 0.000 0.442 423 Q N 0.476 120.196 119.800 -0.134 0.000 2.247 423 Q HA 0.102 4.442 4.340 0.000 0.000 0.205 423 Q C -0.752 175.192 176.000 -0.092 0.000 0.896 423 Q CA -0.225 55.508 55.803 -0.116 0.000 0.950 423 Q CB 0.476 29.122 28.738 -0.154 0.000 1.054 423 Q HN 0.283 nan 8.270 nan 0.000 0.482 424 N N -0.252 118.405 118.700 -0.071 0.000 2.727 424 N HA -0.154 4.586 4.740 0.000 0.000 0.249 424 N C -1.286 174.205 175.510 -0.032 0.000 1.048 424 N CA 0.612 53.632 53.050 -0.049 0.000 0.714 424 N CB -1.447 37.011 38.487 -0.049 0.000 0.959 424 N HN 0.037 nan 8.380 nan 0.000 0.544 425 V N 0.816 120.729 119.914 -0.001 0.000 2.417 425 V HA 0.235 4.355 4.120 0.000 0.000 0.291 425 V C 0.871 177.076 176.094 0.186 0.000 1.024 425 V CA -0.657 61.684 62.300 0.068 0.000 0.861 425 V CB 1.992 33.802 31.823 -0.022 0.000 0.985 425 V HN 0.198 nan 8.190 nan 0.000 0.436 426 T N 6.448 121.052 114.554 0.083 0.000 2.933 426 T HA 0.358 4.708 4.350 0.000 0.000 0.306 426 T C -0.217 174.528 174.700 0.075 0.000 1.045 426 T CA 0.996 63.064 62.100 -0.054 0.000 1.143 426 T CB 0.073 68.772 68.868 -0.282 0.000 1.003 426 T HN 0.596 nan 8.240 nan 0.000 0.540 427 I N 2.068 122.604 120.570 -0.057 0.000 2.897 427 I HA 0.560 4.730 4.170 0.000 0.000 0.299 427 I C -1.763 174.340 176.117 -0.024 0.000 1.527 427 I CA -1.014 60.269 61.300 -0.028 0.000 0.979 427 I CB 2.007 39.883 38.000 -0.207 0.000 1.360 427 I HN 0.650 nan 8.210 nan 0.000 0.495 428 M N 4.673 124.314 119.600 0.068 0.000 2.326 428 M HA 0.380 4.860 4.480 0.000 0.000 0.292 428 M C -1.710 174.635 176.300 0.075 0.000 1.081 428 M CA -0.534 54.823 55.300 0.096 0.000 0.919 428 M CB 1.783 34.523 32.600 0.233 0.000 1.634 428 M HN 0.637 nan 8.290 nan 0.000 0.451 429 D N 2.147 122.585 120.400 0.064 0.000 2.339 429 D HA 0.067 4.707 4.640 0.000 0.000 0.245 429 D C 1.173 177.527 176.300 0.090 0.000 1.115 429 D CA -0.070 53.984 54.000 0.091 0.000 0.917 429 D CB 0.581 41.423 40.800 0.070 0.000 1.192 429 D HN 0.686 nan 8.370 nan 0.000 0.428 430 H N 0.722 119.748 119.070 -0.073 0.000 2.489 430 H HA -0.144 4.412 4.556 0.000 0.000 0.293 430 H C 0.942 176.183 175.328 -0.144 0.000 1.066 430 H CA 1.336 57.302 56.048 -0.136 0.000 1.305 430 H CB -0.576 29.048 29.762 -0.229 0.000 1.386 430 H HN 0.556 nan 8.280 nan 0.000 0.551 431 H N 0.911 119.757 119.070 -0.373 0.000 2.307 431 H HA -0.025 4.531 4.556 0.000 0.000 0.303 431 H C 1.922 177.211 175.328 -0.064 0.000 1.073 431 H CA 1.918 57.827 56.048 -0.232 0.000 1.338 431 H CB -0.241 29.358 29.762 -0.273 0.000 1.389 431 H HN 0.374 nan 8.280 nan 0.000 0.503 432 T N 1.149 115.754 114.554 0.085 0.000 2.788 432 T HA -0.092 4.258 4.350 0.000 0.000 0.268 432 T C 2.250 177.014 174.700 0.107 0.000 1.044 432 T CA 1.095 63.246 62.100 0.085 0.000 1.139 432 T CB -0.307 68.604 68.868 0.072 0.000 0.867 432 T HN 0.423 nan 8.240 nan 0.000 0.454 433 A N 1.073 123.958 122.820 0.108 0.000 1.929 433 A HA -0.026 4.294 4.320 0.000 0.000 0.216 433 A C 2.610 180.288 177.584 0.157 0.000 1.176 433 A CA 1.645 53.766 52.037 0.140 0.000 0.628 433 A CB -0.728 18.348 19.000 0.126 0.000 0.816 433 A HN 0.421 nan 8.150 nan 0.000 0.444 434 S N -0.045 115.727 115.700 0.120 0.000 2.356 434 S HA -0.168 4.302 4.470 0.000 0.000 0.223 434 S C 1.866 176.583 174.600 0.195 0.000 1.032 434 S CA 1.536 59.827 58.200 0.152 0.000 1.005 434 S CB -0.340 62.918 63.200 0.098 0.000 0.867 434 S HN 0.697 nan 8.310 nan 0.000 0.449 435 E N 0.896 121.184 120.200 0.147 0.000 2.077 435 E HA -0.132 4.218 4.350 0.000 0.000 0.193 435 E C 2.277 178.956 176.600 0.132 0.000 0.989 435 E CA 1.198 57.674 56.400 0.126 0.000 0.800 435 E CB -0.302 29.454 29.700 0.093 0.000 0.746 435 E HN 0.419 nan 8.360 nan 0.000 0.452 436 S N 0.534 116.323 115.700 0.149 0.000 2.359 436 S HA -0.204 4.266 4.470 0.000 0.000 0.224 436 S C 1.788 176.500 174.600 0.186 0.000 1.035 436 S CA 1.116 59.408 58.200 0.154 0.000 1.018 436 S CB -0.327 62.975 63.200 0.169 0.000 0.876 436 S HN 0.326 nan 8.310 nan 0.000 0.448 437 F N 1.685 121.698 119.950 0.105 0.000 2.186 437 F HA 0.007 4.534 4.527 0.000 0.000 0.299 437 F C 2.106 177.998 175.800 0.154 0.000 1.090 437 F CA 1.407 59.487 58.000 0.133 0.000 1.307 437 F CB -0.338 38.722 39.000 0.101 0.000 1.019 437 F HN 0.195 nan 8.300 nan 0.000 0.489 438 M N 0.269 119.915 119.600 0.076 0.000 2.108 438 M HA -0.195 4.285 4.480 0.000 0.000 0.261 438 M C 2.228 178.480 176.300 -0.081 0.000 1.066 438 M CA 1.631 56.924 55.300 -0.012 0.000 1.107 438 M CB -1.276 31.375 32.600 0.084 0.000 1.356 438 M HN 0.095 nan 8.290 nan 0.000 0.406 439 K N -0.415 119.974 120.400 -0.019 0.000 2.057 439 K HA -0.206 4.114 4.320 0.000 0.000 0.207 439 K C 1.998 178.568 176.600 -0.050 0.000 1.049 439 K CA 1.829 58.106 56.287 -0.016 0.000 0.931 439 K CB -0.597 31.921 32.500 0.030 0.000 0.714 439 K HN 0.393 nan 8.250 nan 0.000 0.440 440 H N 0.008 118.979 119.070 -0.166 0.000 2.293 440 H HA -0.097 4.459 4.556 0.000 0.000 0.300 440 H C 2.033 177.194 175.328 -0.279 0.000 1.082 440 H CA 2.614 58.540 56.048 -0.203 0.000 1.308 440 H CB -0.300 29.318 29.762 -0.240 0.000 1.375 440 H HN 0.285 nan 8.280 nan 0.000 0.495 441 M N 0.015 119.250 119.600 -0.608 0.000 2.106 441 M HA -0.267 4.213 4.480 0.000 0.000 0.259 441 M C 2.059 178.263 176.300 -0.160 0.000 1.068 441 M CA 2.115 57.132 55.300 -0.471 0.000 1.100 441 M CB -0.037 32.297 32.600 -0.442 0.000 1.351 441 M HN 0.470 nan 8.290 nan 0.000 0.404 442 Q N -0.162 119.546 119.800 -0.153 0.000 2.119 442 Q HA -0.122 4.218 4.340 0.000 0.000 0.201 442 Q C 1.716 177.677 176.000 -0.065 0.000 0.972 442 Q CA 1.433 57.193 55.803 -0.072 0.000 0.847 442 Q CB -0.187 28.507 28.738 -0.074 0.000 0.903 442 Q HN 0.597 nan 8.270 nan 0.000 0.433 443 N N 0.514 119.137 118.700 -0.128 0.000 2.142 443 N HA -0.139 4.601 4.740 0.000 0.000 0.186 443 N C 1.567 176.988 175.510 -0.149 0.000 1.023 443 N CA 0.966 53.952 53.050 -0.106 0.000 0.852 443 N CB -0.056 38.386 38.487 -0.076 0.000 0.998 443 N HN 0.233 nan 8.380 nan 0.000 0.424 444 E N 0.362 120.388 120.200 -0.291 0.000 2.051 444 E HA -0.132 4.218 4.350 0.000 0.000 0.192 444 E C 1.933 178.386 176.600 -0.245 0.000 0.991 444 E CA 0.845 57.044 56.400 -0.335 0.000 0.799 444 E CB -0.499 28.889 29.700 -0.519 0.000 0.748 444 E HN 0.461 nan 8.360 nan 0.000 0.449 445 Y N 1.032 121.229 120.300 -0.172 0.000 2.224 445 Y HA -0.158 4.392 4.550 0.000 0.000 0.289 445 Y C 2.658 178.503 175.900 -0.092 0.000 1.146 445 Y CA 1.497 59.535 58.100 -0.104 0.000 1.182 445 Y CB -0.191 38.213 38.460 -0.092 0.000 0.983 445 Y HN -0.021 nan 8.280 nan 0.000 0.524 446 R N -0.062 120.454 120.500 0.027 0.000 2.066 446 R HA -0.156 4.184 4.340 0.000 0.000 0.232 446 R C 2.325 178.603 176.300 -0.037 0.000 1.131 446 R CA 1.234 57.328 56.100 -0.010 0.000 0.955 446 R CB -0.390 29.898 30.300 -0.019 0.000 0.851 446 R HN 0.328 nan 8.270 nan 0.000 0.432 447 A N 1.416 124.198 122.820 -0.063 0.000 1.897 447 A HA -0.144 4.176 4.320 0.000 0.000 0.215 447 A C 1.544 179.078 177.584 -0.083 0.000 1.181 447 A CA 1.570 53.569 52.037 -0.065 0.000 0.620 447 A CB -0.079 18.880 19.000 -0.070 0.000 0.821 447 A HN 0.535 nan 8.150 nan 0.000 0.443 448 R N -2.824 117.597 120.500 -0.131 0.000 2.548 448 R HA 0.400 4.740 4.340 0.000 0.000 0.449 448 R C 0.622 176.829 176.300 -0.155 0.000 0.928 448 R CA 0.249 56.272 56.100 -0.127 0.000 1.107 448 R CB -0.873 29.344 30.300 -0.138 0.000 1.557 448 R HN 0.816 nan 8.270 nan 0.000 0.584 449 G N -0.009 108.693 108.800 -0.162 0.000 2.323 449 G HA2 -0.051 3.909 3.960 0.000 0.000 0.292 449 G HA3 -0.051 3.909 3.960 0.000 0.000 0.292 449 G C 0.273 174.926 174.900 -0.411 0.000 1.040 449 G CA 0.317 45.320 45.100 -0.162 0.000 0.942 449 G HN 1.010 nan 8.290 nan 0.000 0.506 450 G N -2.613 105.638 108.800 -0.915 0.000 2.340 450 G HA2 0.557 4.517 3.960 0.000 0.000 0.300 450 G HA3 0.557 4.517 3.960 0.000 0.000 0.300 450 G C -0.874 173.573 174.900 -0.756 0.000 1.488 450 G CA 0.222 44.682 45.100 -1.068 0.000 0.878 450 G HN 1.877 nan 8.290 nan 0.000 0.618 451 C N 2.480 121.549 119.300 -0.385 0.000 3.044 451 C HA 0.625 5.085 4.460 0.000 0.000 0.382 451 C C -2.547 172.362 174.990 -0.135 0.000 1.071 451 C CA -1.167 57.745 59.018 -0.176 0.000 1.296 451 C CB 0.978 28.680 27.740 -0.064 0.000 1.730 451 C HN 0.698 nan 8.230 nan 0.000 0.513 452 P HA 0.348 nan 4.420 nan 0.000 0.263 452 P C -0.531 176.652 177.300 -0.194 0.000 1.195 452 P CA 0.785 63.455 63.100 -0.717 0.000 0.762 452 P CB 0.878 32.095 31.700 -0.805 0.000 0.799 453 A N 2.871 125.650 122.820 -0.069 0.000 2.455 453 A HA 0.418 4.738 4.320 0.000 0.000 0.300 453 A C -1.023 176.634 177.584 0.122 0.000 1.040 453 A CA -0.546 51.551 52.037 0.100 0.000 0.697 453 A CB 1.323 20.495 19.000 0.287 0.000 1.265 453 A HN 0.435 nan 8.150 nan 0.000 0.407 454 D N 2.094 122.561 120.400 0.113 0.000 2.473 454 D HA 0.146 4.786 4.640 0.000 0.000 0.226 454 D C 0.834 177.285 176.300 0.252 0.000 1.089 454 D CA -0.552 53.566 54.000 0.196 0.000 0.883 454 D CB 0.303 41.194 40.800 0.152 0.000 1.029 454 D HN 0.604 nan 8.370 nan 0.000 0.517 455 W N 4.443 125.794 121.300 0.085 0.000 2.290 455 W HA -0.269 4.391 4.660 0.000 0.000 0.318 455 W C 1.718 178.272 176.519 0.059 0.000 1.248 455 W CA 1.452 58.826 57.345 0.048 0.000 1.263 455 W CB -0.119 29.349 29.460 0.013 0.000 1.147 455 W HN 0.473 nan 8.180 nan 0.000 0.494 456 I N -1.155 119.735 120.570 0.534 0.000 2.335 456 I HA -0.310 3.860 4.170 0.000 0.000 0.251 456 I C 1.764 178.001 176.117 0.199 0.000 1.129 456 I CA 1.506 63.050 61.300 0.406 0.000 1.402 456 I CB -0.645 37.597 38.000 0.405 0.000 1.069 456 I HN 0.123 nan 8.210 nan 0.000 0.424 457 W N 0.068 121.370 121.300 0.004 0.000 2.762 457 W HA 0.152 4.812 4.660 0.000 0.000 0.265 457 W C 2.224 178.651 176.519 -0.154 0.000 1.263 457 W CA 0.168 57.483 57.345 -0.051 0.000 1.411 457 W CB -0.251 29.204 29.460 -0.009 0.000 1.065 457 W HN -0.064 nan 8.180 nan 0.000 0.609 458 L N -0.187 121.020 121.223 -0.026 0.000 2.156 458 L HA -0.033 4.307 4.340 0.000 0.000 0.208 458 L C 0.657 177.344 176.870 -0.304 0.000 1.095 458 L CA 0.412 55.109 54.840 -0.238 0.000 0.770 458 L CB -0.952 40.876 42.059 -0.385 0.000 0.914 458 L HN -0.400 nan 8.230 nan 0.000 0.439 459 V N 1.536 121.187 119.914 -0.438 0.000 2.479 459 V HA 0.101 4.221 4.120 0.000 0.000 0.281 459 V C -1.814 174.113 176.094 -0.279 0.000 1.031 459 V CA -1.287 60.733 62.300 -0.467 0.000 1.038 459 V CB 0.231 31.532 31.823 -0.870 0.000 0.981 459 V HN 0.046 nan 8.190 nan 0.000 0.478 460 P HA 0.052 nan 4.420 nan 0.000 0.267 460 P C -1.748 175.439 177.300 -0.189 0.000 1.201 460 P CA -0.846 62.151 63.100 -0.172 0.000 0.775 460 P CB 0.047 31.685 31.700 -0.102 0.000 0.854 461 P HA -0.039 nan 4.420 nan 0.000 0.242 461 P C -0.150 177.047 177.300 -0.171 0.000 1.197 461 P CA 0.922 63.906 63.100 -0.194 0.000 0.765 461 P CB 0.131 31.703 31.700 -0.213 0.000 0.936 462 V N -5.373 114.421 119.914 -0.200 0.000 3.049 462 V HA 0.582 4.702 4.120 0.000 0.000 0.309 462 V C 0.270 176.322 176.094 -0.069 0.000 1.148 462 V CA -0.548 61.664 62.300 -0.146 0.000 0.990 462 V CB 1.334 33.044 31.823 -0.187 0.000 1.039 462 V HN 0.049 nan 8.190 nan 0.000 0.430 463 S N 0.158 115.853 115.700 -0.010 0.000 3.614 463 S HA -0.200 4.270 4.470 0.000 0.000 0.360 463 S C 1.424 176.017 174.600 -0.013 0.000 1.023 463 S CA 1.305 59.524 58.200 0.030 0.000 1.114 463 S CB -2.236 61.054 63.200 0.150 0.000 0.907 463 S HN 2.551 nan 8.310 nan 0.000 0.470 464 G N 2.867 111.639 108.800 -0.047 0.000 2.721 464 G HA2 -0.314 3.646 3.960 0.000 0.000 0.218 464 G HA3 -0.314 3.646 3.960 0.000 0.000 0.218 464 G C 1.595 176.364 174.900 -0.219 0.000 1.265 464 G CA 2.016 47.095 45.100 -0.035 0.000 0.796 464 G HN 1.783 nan 8.290 nan 0.000 0.620 465 S N 0.166 115.417 115.700 -0.749 0.000 2.547 465 S HA 0.038 4.508 4.470 0.000 0.000 0.235 465 S C 2.083 176.601 174.600 -0.137 0.000 0.980 465 S CA 0.809 58.407 58.200 -1.004 0.000 0.941 465 S CB -0.118 62.365 63.200 -1.194 0.000 0.763 465 S HN 0.205 nan 8.310 nan 0.000 0.532 466 I N 2.850 123.390 120.570 -0.050 0.000 2.928 466 I HA 0.028 4.198 4.170 0.000 0.000 0.266 466 I C 1.395 177.609 176.117 0.161 0.000 1.234 466 I CA 0.676 62.028 61.300 0.087 0.000 1.483 466 I CB -1.999 36.081 38.000 0.133 0.000 1.097 466 I HN 0.504 nan 8.210 nan 0.000 0.455 467 T N -0.738 113.898 114.554 0.137 0.000 2.909 467 T HA 0.307 4.657 4.350 0.000 0.000 0.286 467 T C -1.368 173.490 174.700 0.264 0.000 1.002 467 T CA -1.682 60.514 62.100 0.160 0.000 1.074 467 T CB 2.101 71.012 68.868 0.071 0.000 0.984 467 T HN -0.055 nan 8.240 nan 0.000 0.495 468 P HA -0.025 nan 4.420 nan 0.000 0.221 468 P C 1.674 179.188 177.300 0.357 0.000 1.150 468 P CA 0.349 63.640 63.100 0.319 0.000 0.800 468 P CB -0.085 31.736 31.700 0.202 0.000 0.787 469 V N -0.214 119.853 119.914 0.255 0.000 2.469 469 V HA -0.226 3.894 4.120 0.000 0.000 0.251 469 V C 2.366 178.559 176.094 0.166 0.000 1.064 469 V CA 1.640 64.061 62.300 0.202 0.000 1.066 469 V CB -1.537 30.335 31.823 0.081 0.000 0.667 469 V HN -0.020 nan 8.190 nan 0.000 0.461 470 F N 1.314 121.255 119.950 -0.015 0.000 2.171 470 F HA -0.197 4.330 4.527 0.000 0.000 0.300 470 F C 2.093 178.013 175.800 0.199 0.000 1.090 470 F CA 2.052 60.034 58.000 -0.029 0.000 1.293 470 F CB -0.315 38.573 39.000 -0.186 0.000 1.013 470 F HN 0.372 nan 8.300 nan 0.000 0.486 471 H N -1.453 117.979 119.070 0.605 0.000 2.539 471 H HA 0.167 4.724 4.556 0.000 0.000 0.267 471 H C 0.250 175.838 175.328 0.433 0.000 0.982 471 H CA 0.161 56.517 56.048 0.513 0.000 1.146 471 H CB -0.198 29.831 29.762 0.444 0.000 1.382 471 H HN 0.147 nan 8.280 nan 0.000 0.577 472 Q N 2.008 122.090 119.800 0.471 0.000 2.331 472 Q HA 0.144 4.484 4.340 0.000 0.000 0.257 472 Q C -0.671 175.554 176.000 0.375 0.000 0.957 472 Q CA -0.417 55.606 55.803 0.367 0.000 0.923 472 Q CB 0.590 29.509 28.738 0.302 0.000 1.212 472 Q HN 0.352 nan 8.270 nan 0.000 0.443 473 E N 3.704 124.078 120.200 0.290 0.000 2.373 473 E HA 0.292 4.642 4.350 0.000 0.000 0.267 473 E C -0.491 176.238 176.600 0.215 0.000 1.032 473 E CA 0.231 56.766 56.400 0.224 0.000 0.889 473 E CB 0.829 30.650 29.700 0.201 0.000 0.984 473 E HN 0.606 nan 8.360 nan 0.000 0.425 474 M N 2.158 121.891 119.600 0.223 0.000 2.593 474 M HA 0.426 4.906 4.480 0.000 0.000 0.290 474 M C -1.082 175.348 176.300 0.218 0.000 1.244 474 M CA -0.676 54.775 55.300 0.251 0.000 0.857 474 M CB 1.836 34.628 32.600 0.321 0.000 1.738 474 M HN 0.207 nan 8.290 nan 0.000 0.461 475 L N 1.738 123.112 121.223 0.252 0.000 2.322 475 L HA 0.529 4.869 4.340 0.000 0.000 0.281 475 L C -0.737 176.267 176.870 0.224 0.000 1.014 475 L CA -0.732 54.273 54.840 0.275 0.000 0.815 475 L CB 1.682 43.955 42.059 0.358 0.000 1.247 475 L HN 0.646 nan 8.230 nan 0.000 0.421 476 N N 3.318 122.163 118.700 0.241 0.000 2.476 476 N HA 0.451 5.191 4.740 0.000 0.000 0.257 476 N C -1.432 174.128 175.510 0.083 0.000 0.970 476 N CA -0.266 52.855 53.050 0.120 0.000 0.938 476 N CB 0.630 39.294 38.487 0.294 0.000 1.144 476 N HN 0.380 nan 8.380 nan 0.000 0.500 477 Y N 0.074 120.227 120.300 -0.245 0.000 2.615 477 Y HA 0.683 5.233 4.550 0.000 0.000 0.341 477 Y C -0.968 174.539 175.900 -0.655 0.000 1.089 477 Y CA -1.419 56.359 58.100 -0.536 0.000 1.049 477 Y CB 0.738 39.067 38.460 -0.219 0.000 1.296 477 Y HN -0.018 nan 8.280 nan 0.000 0.470 478 V N 3.734 123.274 119.914 -0.623 0.000 2.311 478 V HA 0.349 4.469 4.120 0.000 0.000 0.275 478 V C 0.133 175.962 176.094 -0.442 0.000 1.022 478 V CA -0.469 61.355 62.300 -0.793 0.000 0.830 478 V CB 0.236 31.446 31.823 -1.022 0.000 1.012 478 V HN 0.718 nan 8.190 nan 0.000 0.452 479 L N 2.739 123.782 121.223 -0.299 0.000 2.874 479 L HA 0.719 5.059 4.340 0.000 0.000 0.229 479 L C 0.450 177.245 176.870 -0.126 0.000 1.200 479 L CA -0.374 54.399 54.840 -0.112 0.000 0.976 479 L CB 1.245 43.296 42.059 -0.013 0.000 1.887 479 L HN 0.623 nan 8.230 nan 0.000 0.543 480 S N -0.991 114.688 115.700 -0.037 0.000 2.543 480 S HA 0.493 4.963 4.470 0.000 0.000 0.271 480 S C -2.695 171.911 174.600 0.010 0.000 1.148 480 S CA -1.037 57.158 58.200 -0.008 0.000 0.914 480 S CB 1.779 64.974 63.200 -0.008 0.000 1.096 480 S HN 0.143 nan 8.310 nan 0.000 0.471 481 P HA 0.405 nan 4.420 nan 0.000 0.270 481 P C -1.258 175.984 177.300 -0.098 0.000 1.227 481 P CA 0.018 63.050 63.100 -0.113 0.000 0.788 481 P CB 0.207 31.768 31.700 -0.231 0.000 0.926 482 F N 0.412 120.138 119.950 -0.374 0.000 2.693 482 F HA 0.432 4.960 4.527 0.000 0.000 0.309 482 F C -1.700 173.791 175.800 -0.515 0.000 1.129 482 F CA -0.758 56.940 58.000 -0.504 0.000 0.948 482 F CB 1.131 39.792 39.000 -0.564 0.000 1.315 482 F HN 0.152 nan 8.300 nan 0.000 0.447 483 Y N 4.059 123.791 120.300 -0.947 0.000 2.342 483 Y HA 0.483 5.033 4.550 0.000 0.000 0.338 483 Y C -0.943 174.556 175.900 -0.669 0.000 0.965 483 Y CA -0.834 56.930 58.100 -0.559 0.000 1.159 483 Y CB 0.545 38.707 38.460 -0.496 0.000 1.157 483 Y HN 0.382 nan 8.280 nan 0.000 0.486 484 Y N 1.199 121.520 120.300 0.034 0.000 2.534 484 Y HA 0.429 4.979 4.550 0.000 0.000 0.329 484 Y C -0.288 175.610 175.900 -0.004 0.000 1.154 484 Y CA -1.082 57.041 58.100 0.038 0.000 1.192 484 Y CB 0.871 39.430 38.460 0.165 0.000 1.275 484 Y HN 0.410 nan 8.280 nan 0.000 0.491 485 Y N 0.365 120.828 120.300 0.272 0.000 2.340 485 Y HA 0.405 4.955 4.550 0.000 0.000 0.327 485 Y C 0.021 175.980 175.900 0.099 0.000 1.321 485 Y CA -1.138 57.035 58.100 0.122 0.000 1.433 485 Y CB 0.606 39.114 38.460 0.082 0.000 1.373 485 Y HN 0.432 nan 8.280 nan 0.000 0.538 486 Q N 0.164 120.079 119.800 0.192 0.000 2.544 486 Q HA 0.455 4.795 4.340 0.000 0.000 0.291 486 Q C -1.394 174.567 176.000 -0.066 0.000 1.068 486 Q CA -1.176 54.652 55.803 0.041 0.000 0.785 486 Q CB 2.629 31.361 28.738 -0.010 0.000 1.481 486 Q HN 0.332 nan 8.270 nan 0.000 0.430 487 I N 2.019 122.514 120.570 -0.126 0.000 2.529 487 I HA 0.023 4.193 4.170 0.000 0.000 0.284 487 I C 0.613 176.493 176.117 -0.395 0.000 1.082 487 I CA 0.066 61.240 61.300 -0.209 0.000 1.406 487 I CB 0.322 38.215 38.000 -0.178 0.000 1.405 487 I HN 0.532 nan 8.210 nan 0.000 0.548 488 E N 8.370 128.236 120.200 -0.558 0.000 2.694 488 E HA -0.085 4.265 4.350 0.000 0.000 0.250 488 E C -1.374 174.513 176.600 -1.188 0.000 0.963 488 E CA -0.916 54.818 56.400 -1.110 0.000 0.949 488 E CB 0.267 29.106 29.700 -1.435 0.000 0.911 488 E HN 0.385 nan 8.360 nan 0.000 0.500 489 P HA -0.187 nan 4.420 nan 0.000 0.216 489 P C 1.134 177.813 177.300 -1.035 0.000 1.150 489 P CA 1.568 63.995 63.100 -1.122 0.000 0.843 489 P CB -0.207 30.535 31.700 -1.596 0.000 0.787 490 W N 0.779 121.560 121.300 -0.865 0.000 2.825 490 W HA 0.187 4.847 4.660 0.000 0.000 0.243 490 W C 1.586 178.089 176.519 -0.026 0.000 1.293 490 W CA 0.288 57.426 57.345 -0.345 0.000 1.403 490 W CB -1.267 28.174 29.460 -0.030 0.000 1.134 490 W HN -0.096 nan 8.180 nan 0.000 0.666 491 K N 0.291 120.520 120.400 -0.285 0.000 2.262 491 K HA 0.047 4.367 4.320 0.000 0.000 0.200 491 K C 1.719 178.294 176.600 -0.043 0.000 1.049 491 K CA 1.574 57.808 56.287 -0.089 0.000 0.979 491 K CB -0.027 32.350 32.500 -0.205 0.000 0.773 491 K HN 0.297 nan 8.250 nan 0.000 0.474 492 T N -3.145 111.346 114.554 -0.104 0.000 2.975 492 T HA 0.046 4.396 4.350 0.000 0.000 0.257 492 T C 0.363 175.052 174.700 -0.018 0.000 1.003 492 T CA -0.377 61.689 62.100 -0.057 0.000 0.932 492 T CB -0.223 68.585 68.868 -0.100 0.000 1.087 492 T HN 0.063 nan 8.240 nan 0.000 0.512 493 H N 1.515 120.516 119.070 -0.114 0.000 2.897 493 H HA 0.372 4.928 4.556 0.000 0.000 0.347 493 H C -0.314 174.959 175.328 -0.091 0.000 1.068 493 H CA -0.438 55.530 56.048 -0.134 0.000 1.426 493 H CB 0.154 29.805 29.762 -0.186 0.000 1.410 493 H HN 0.310 nan 8.280 nan 0.000 0.597 494 I N 6.073 126.182 120.570 -0.770 0.000 2.347 494 I HA 0.053 4.223 4.170 0.000 0.000 0.283 494 I C -0.442 175.284 176.117 -0.652 0.000 1.058 494 I CA -0.553 60.479 61.300 -0.448 0.000 1.202 494 I CB 0.228 38.073 38.000 -0.259 0.000 1.386 494 I HN 0.542 nan 8.210 nan 0.000 0.475 495 W N 5.614 126.757 121.300 -0.263 0.000 2.223 495 W HA 0.073 4.733 4.660 0.000 0.000 0.334 495 W C 1.456 177.951 176.519 -0.039 0.000 1.334 495 W CA -0.054 57.268 57.345 -0.038 0.000 1.246 495 W CB 0.300 29.827 29.460 0.111 0.000 1.184 495 W HN 0.519 nan 8.180 nan 0.000 0.563 496 Q N 2.155 122.089 119.800 0.223 0.000 2.212 496 Q HA 0.039 4.379 4.340 0.000 0.000 0.199 496 Q C 0.993 177.083 176.000 0.150 0.000 0.950 496 Q CA 1.197 57.078 55.803 0.130 0.000 0.863 496 Q CB -0.017 28.777 28.738 0.095 0.000 0.944 496 Q HN 0.676 nan 8.270 nan 0.000 0.465 497 N N 0.000 118.832 118.700 0.220 0.000 1.763 497 N HA 0.000 4.740 4.740 0.000 0.000 0.220 497 N CA 0.000 53.134 53.050 0.140 0.000 0.885 497 N CB 0.000 38.540 38.487 0.088 0.000 1.341 497 N HN 0.000 nan 8.380 nan 0.000 0.667