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 2ght_1_B DATA FIRST_RESID 77 DATA SEQUENCE QYLLPEAKAQ DSDKICVVIN LDETLVHSSF KPVNNADFII PVEIDGVVHQ DATA SEQUENCE VYVLKRPHVD EFLQRMGELF ECVLFTASLA KYADPVADLL DKWGAFRARL DATA SEQUENCE FRESCVFHRG NYVKDLSRLG RDLRRVLILD NSPASYVFHP DNAVPVASWF DATA SEQUENCE DNMSDTELHD LLPFFEQLSR VDDVYSVLRQ 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 0.000 175.915 176.000 -0.141 0.000 1.003 77 Q CA 0.000 55.719 55.803 -0.141 0.000 1.022 77 Q CB 0.000 28.706 28.738 -0.054 0.000 1.108 78 Y N 1.391 121.699 120.300 0.014 0.000 2.457 78 Y HA 0.054 4.603 4.550 -0.001 0.000 0.341 78 Y C 1.992 177.888 175.900 -0.008 0.000 1.240 78 Y CA 0.147 58.253 58.100 0.010 0.000 1.437 78 Y CB 0.619 39.084 38.460 0.007 0.000 1.328 78 Y HN 0.569 nan 8.280 nan 0.000 0.588 79 L N 0.958 122.283 121.223 0.170 0.000 2.131 79 L HA -0.107 4.232 4.340 -0.001 0.000 0.210 79 L C 0.127 176.990 176.870 -0.011 0.000 1.092 79 L CA 1.075 55.933 54.840 0.030 0.000 0.759 79 L CB -0.382 41.647 42.059 -0.049 0.000 0.903 79 L HN 0.407 nan 8.230 nan 0.000 0.435 80 L N -0.415 120.819 121.223 0.019 0.000 2.334 80 L HA 0.434 4.774 4.340 -0.001 0.000 0.273 80 L C -2.020 174.864 176.870 0.023 0.000 1.013 80 L CA -2.010 52.821 54.840 -0.016 0.000 0.816 80 L CB 1.384 43.412 42.059 -0.052 0.000 1.278 80 L HN -0.191 nan 8.230 nan 0.000 0.431 81 P HA 0.165 nan 4.420 nan 0.000 0.289 81 P C -0.863 176.442 177.300 0.008 0.000 1.299 81 P CA -0.606 62.507 63.100 0.021 0.000 0.766 81 P CB 0.587 32.294 31.700 0.011 0.000 1.226 82 E N -0.679 119.527 120.200 0.011 0.000 2.398 82 E HA 0.316 4.666 4.350 -0.001 0.000 0.263 82 E C 0.118 176.711 176.600 -0.010 0.000 1.046 82 E CA -0.419 55.979 56.400 -0.003 0.000 0.908 82 E CB 0.354 30.057 29.700 0.005 0.000 0.963 82 E HN 0.449 nan 8.360 nan 0.000 0.431 83 A N 3.190 125.998 122.820 -0.019 0.000 2.498 83 A HA 0.069 4.389 4.320 -0.001 0.000 0.239 83 A C -0.132 177.445 177.584 -0.011 0.000 1.068 83 A CA -0.288 51.738 52.037 -0.017 0.000 0.766 83 A CB 0.203 19.190 19.000 -0.022 0.000 1.003 83 A HN 0.377 nan 8.150 nan 0.000 0.497 84 K N 1.529 121.924 120.400 -0.009 0.000 2.380 84 K HA 0.346 4.665 4.320 -0.001 0.000 0.267 84 K C 1.464 178.058 176.600 -0.010 0.000 0.990 84 K CA 0.694 56.977 56.287 -0.007 0.000 0.946 84 K CB 0.233 32.730 32.500 -0.005 0.000 0.937 84 K HN 0.723 nan 8.250 nan 0.000 0.491 85 A N 2.274 125.088 122.820 -0.010 0.000 1.927 85 A HA -0.249 4.071 4.320 -0.001 0.000 0.220 85 A C 1.619 179.194 177.584 -0.016 0.000 1.185 85 A CA 1.911 53.941 52.037 -0.012 0.000 0.639 85 A CB -0.638 18.356 19.000 -0.011 0.000 0.820 85 A HN 0.781 nan 8.150 nan 0.000 0.451 86 Q N -1.206 118.585 119.800 -0.016 0.000 2.515 86 Q HA -0.081 4.259 4.340 -0.001 0.000 0.212 86 Q C -0.129 175.858 176.000 -0.023 0.000 0.970 86 Q CA 1.381 57.172 55.803 -0.021 0.000 0.941 86 Q CB -0.146 28.581 28.738 -0.019 0.000 0.998 86 Q HN 0.630 nan 8.270 nan 0.000 0.518 87 D N -0.082 120.307 120.400 -0.018 0.000 2.489 87 D HA 0.061 4.701 4.640 -0.001 0.000 0.231 87 D C 1.451 177.742 176.300 -0.016 0.000 1.114 87 D CA 0.192 54.183 54.000 -0.016 0.000 0.842 87 D CB 0.328 41.123 40.800 -0.008 0.000 1.133 87 D HN 0.092 nan 8.370 nan 0.000 0.506 88 S N 0.897 116.586 115.700 -0.018 0.000 2.380 88 S HA -0.180 4.289 4.470 -0.001 0.000 0.229 88 S C 1.177 175.765 174.600 -0.021 0.000 1.043 88 S CA 1.449 59.637 58.200 -0.020 0.000 1.038 88 S CB -0.019 63.170 63.200 -0.018 0.000 0.872 88 S HN 0.136 nan 8.310 nan 0.000 0.456 89 D N 0.759 121.145 120.400 -0.024 0.000 2.340 89 D HA 0.114 4.753 4.640 -0.001 0.000 0.220 89 D C 0.409 176.692 176.300 -0.028 0.000 1.039 89 D CA 0.401 54.385 54.000 -0.027 0.000 0.866 89 D CB 0.153 40.934 40.800 -0.031 0.000 0.913 89 D HN 0.487 nan 8.370 nan 0.000 0.523 90 K N 0.493 120.880 120.400 -0.023 0.000 2.087 90 K HA 0.384 4.703 4.320 -0.001 0.000 0.255 90 K C 0.488 177.111 176.600 0.038 0.000 0.988 90 K CA -0.702 55.577 56.287 -0.013 0.000 0.915 90 K CB 1.931 34.417 32.500 -0.022 0.000 1.043 90 K HN -0.124 nan 8.250 nan 0.000 0.457 91 I N 1.085 121.721 120.570 0.111 0.000 2.634 91 I HA -0.051 4.119 4.170 -0.001 0.000 0.284 91 I C 0.389 176.617 176.117 0.184 0.000 1.124 91 I CA -0.345 61.053 61.300 0.163 0.000 1.417 91 I CB 0.711 38.879 38.000 0.280 0.000 1.396 91 I HN 0.571 nan 8.210 nan 0.000 0.571 92 C N 7.571 126.895 119.300 0.039 0.000 2.307 92 C HA 0.567 5.026 4.460 -0.001 0.000 0.340 92 C C -0.070 174.853 174.990 -0.113 0.000 1.275 92 C CA -0.381 58.630 59.018 -0.012 0.000 1.811 92 C CB 0.388 28.109 27.740 -0.032 0.000 2.372 92 C HN 0.592 nan 8.230 nan 0.000 0.531 93 V N 8.143 127.949 119.914 -0.179 0.000 2.409 93 V HA 0.560 4.680 4.120 -0.001 0.000 0.291 93 V C -0.428 175.598 176.094 -0.114 0.000 1.020 93 V CA -0.237 61.893 62.300 -0.284 0.000 0.848 93 V CB 1.865 33.290 31.823 -0.663 0.000 0.990 93 V HN 0.787 nan 8.190 nan 0.000 0.430 94 V N 8.637 128.525 119.914 -0.043 0.000 2.406 94 V HA 0.466 4.585 4.120 -0.001 0.000 0.272 94 V C 0.119 176.251 176.094 0.063 0.000 1.043 94 V CA -0.134 62.201 62.300 0.059 0.000 0.915 94 V CB 1.299 33.210 31.823 0.146 0.000 0.988 94 V HN 0.708 nan 8.190 nan 0.000 0.466 95 I N 5.213 125.839 120.570 0.094 0.000 2.406 95 I HA 0.373 4.543 4.170 -0.001 0.000 0.290 95 I C 0.355 176.533 176.117 0.102 0.000 0.999 95 I CA -0.336 61.041 61.300 0.128 0.000 1.124 95 I CB 1.533 39.675 38.000 0.237 0.000 1.289 95 I HN 0.595 nan 8.210 nan 0.000 0.441 96 N N 3.884 122.650 118.700 0.109 0.000 2.445 96 N HA 0.176 4.916 4.740 -0.001 0.000 0.264 96 N C 0.126 175.697 175.510 0.101 0.000 1.227 96 N CA -0.316 52.786 53.050 0.087 0.000 0.963 96 N CB 1.619 40.160 38.487 0.090 0.000 1.188 96 N HN 0.489 nan 8.380 nan 0.000 0.491 97 L N 1.023 122.306 121.223 0.100 0.000 2.471 97 L HA 0.306 4.646 4.340 -0.001 0.000 0.186 97 L C -0.240 176.736 176.870 0.177 0.000 1.191 97 L CA 0.942 55.864 54.840 0.136 0.000 0.835 97 L CB -0.605 41.530 42.059 0.126 0.000 1.092 97 L HN 0.493 nan 8.230 nan 0.000 0.495 98 D N 1.412 121.929 120.400 0.194 0.000 2.425 98 D HA 0.152 4.792 4.640 -0.001 0.000 0.247 98 D C 0.355 176.741 176.300 0.143 0.000 1.147 98 D CA 0.502 54.622 54.000 0.200 0.000 0.879 98 D CB 1.163 42.072 40.800 0.183 0.000 1.179 98 D HN 0.277 nan 8.370 nan 0.000 0.456 99 E N -0.190 120.102 120.200 0.153 0.000 3.916 99 E HA -0.197 4.153 4.350 -0.001 0.000 0.331 99 E C 0.796 177.442 176.600 0.077 0.000 0.729 99 E CA 1.659 58.063 56.400 0.007 0.000 1.222 99 E CB -1.396 28.204 29.700 -0.166 0.000 1.633 99 E HN 0.477 nan 8.360 nan 0.000 0.437 100 T N -1.487 113.136 114.554 0.115 0.000 3.114 100 T HA 0.313 4.663 4.350 -0.001 0.000 0.240 100 T C 1.547 176.269 174.700 0.036 0.000 0.983 100 T CA 0.752 62.899 62.100 0.079 0.000 1.151 100 T CB 0.231 69.154 68.868 0.092 0.000 0.974 100 T HN 0.074 nan 8.240 nan 0.000 0.442 101 L N 1.246 122.524 121.223 0.091 0.000 2.537 101 L HA 0.408 4.747 4.340 -0.001 0.000 0.224 101 L C 0.397 177.308 176.870 0.069 0.000 1.065 101 L CA -0.087 54.792 54.840 0.064 0.000 0.860 101 L CB 0.638 42.805 42.059 0.181 0.000 1.086 101 L HN 0.168 nan 8.230 nan 0.000 0.482 102 V N -4.124 115.913 119.914 0.206 0.000 3.232 102 V HA 0.557 4.676 4.120 -0.001 0.000 0.303 102 V C -1.716 174.667 176.094 0.481 0.000 1.311 102 V CA -0.883 61.614 62.300 0.329 0.000 1.061 102 V CB 2.291 34.301 31.823 0.311 0.000 1.085 102 V HN 0.096 nan 8.190 nan 0.000 0.447 103 H N 0.261 119.592 119.070 0.435 0.000 2.689 103 H HA 0.845 5.401 4.556 -0.001 0.000 0.346 103 H C -0.895 174.570 175.328 0.228 0.000 1.037 103 H CA 0.136 56.337 56.048 0.255 0.000 1.234 103 H CB 1.937 31.757 29.762 0.097 0.000 1.572 103 H HN 0.966 nan 8.280 nan 0.000 0.524 104 S N 2.786 118.256 115.700 -0.384 0.000 2.536 104 S HA 0.721 5.191 4.470 -0.001 0.000 0.298 104 S C -1.040 173.310 174.600 -0.417 0.000 1.083 104 S CA -0.590 57.456 58.200 -0.257 0.000 0.995 104 S CB 1.462 64.629 63.200 -0.054 0.000 1.058 104 S HN 0.816 nan 8.310 nan 0.000 0.488 105 S N 0.616 116.196 115.700 -0.200 0.000 2.579 105 S HA 0.644 5.113 4.470 -0.001 0.000 0.272 105 S C -0.550 174.053 174.600 0.004 0.000 1.141 105 S CA -0.731 57.438 58.200 -0.053 0.000 0.843 105 S CB 0.388 63.606 63.200 0.029 0.000 1.122 105 S HN 0.387 nan 8.310 nan 0.000 0.468 106 F N 1.077 121.060 119.950 0.056 0.000 2.743 106 F HA 0.269 4.796 4.527 -0.001 0.000 0.297 106 F C 1.201 177.075 175.800 0.124 0.000 1.131 106 F CA 0.102 58.170 58.000 0.112 0.000 1.426 106 F CB 0.025 39.031 39.000 0.009 0.000 1.116 106 F HN 0.632 nan 8.300 nan 0.000 0.583 107 K N 1.479 121.990 120.400 0.185 0.000 2.339 107 K HA 0.278 4.598 4.320 -0.001 0.000 0.286 107 K C -2.917 173.546 176.600 -0.227 0.000 1.050 107 K CA -1.803 54.498 56.287 0.023 0.000 0.956 107 K CB 0.195 32.706 32.500 0.018 0.000 0.990 107 K HN -0.167 nan 8.250 nan 0.000 0.475 108 P HA -0.061 nan 4.420 nan 0.000 0.264 108 P C -1.076 175.804 177.300 -0.699 0.000 1.183 108 P CA -0.285 62.161 63.100 -1.089 0.000 0.763 108 P CB 0.702 32.082 31.700 -0.534 0.000 0.807 109 V N 3.492 122.929 119.914 -0.795 0.000 2.531 109 V HA 0.305 4.425 4.120 -0.001 0.000 0.301 109 V C 0.204 176.248 176.094 -0.083 0.000 1.034 109 V CA -0.760 61.399 62.300 -0.235 0.000 0.865 109 V CB 1.800 33.602 31.823 -0.035 0.000 0.995 109 V HN 0.467 nan 8.190 nan 0.000 0.424 110 N N 3.602 122.278 118.700 -0.041 0.000 2.525 110 N HA 0.148 4.887 4.740 -0.001 0.000 0.271 110 N C 0.551 176.084 175.510 0.039 0.000 1.194 110 N CA 0.426 53.481 53.050 0.008 0.000 0.964 110 N CB 0.222 38.709 38.487 -0.001 0.000 1.126 110 N HN 0.740 nan 8.380 nan 0.000 0.452 111 N N 0.286 119.018 118.700 0.053 0.000 2.725 111 N HA -0.212 4.528 4.740 -0.001 0.000 0.251 111 N C -1.318 174.225 175.510 0.056 0.000 1.031 111 N CA 0.835 53.914 53.050 0.049 0.000 0.720 111 N CB -1.202 37.306 38.487 0.034 0.000 0.930 111 N HN 0.666 nan 8.380 nan 0.000 0.543 112 A N -0.319 122.555 122.820 0.091 0.000 2.366 112 A HA 0.220 4.539 4.320 -0.001 0.000 0.249 112 A C 1.206 178.789 177.584 -0.000 0.000 1.084 112 A CA 0.311 52.404 52.037 0.094 0.000 0.794 112 A CB 0.338 19.462 19.000 0.207 0.000 1.034 112 A HN 0.430 nan 8.150 nan 0.000 0.491 113 D N -0.521 119.806 120.400 -0.122 0.000 2.137 113 D HA 0.090 4.729 4.640 -0.001 0.000 0.202 113 D C -0.412 175.646 176.300 -0.402 0.000 0.970 113 D CA 1.605 55.367 54.000 -0.395 0.000 0.837 113 D CB 0.017 40.373 40.800 -0.739 0.000 0.981 113 D HN 0.444 nan 8.370 nan 0.000 0.475 114 F N -0.504 119.484 119.950 0.062 0.000 2.626 114 F HA 0.512 5.038 4.527 -0.001 0.000 0.311 114 F C -0.285 175.508 175.800 -0.012 0.000 1.088 114 F CA -1.041 56.971 58.000 0.020 0.000 0.949 114 F CB 1.659 40.665 39.000 0.010 0.000 1.322 114 F HN -0.356 nan 8.300 nan 0.000 0.461 115 I N 3.245 123.896 120.570 0.135 0.000 2.478 115 I HA 0.476 4.645 4.170 -0.001 0.000 0.287 115 I C -1.192 174.878 176.117 -0.077 0.000 1.042 115 I CA -0.403 60.844 61.300 -0.089 0.000 1.067 115 I CB 2.068 39.937 38.000 -0.218 0.000 1.233 115 I HN 0.424 nan 8.210 nan 0.000 0.431 116 I N 7.839 128.347 120.570 -0.103 0.000 2.436 116 I HA 0.381 4.551 4.170 -0.001 0.000 0.289 116 I C -2.414 173.648 176.117 -0.091 0.000 1.010 116 I CA -1.993 59.263 61.300 -0.073 0.000 1.098 116 I CB 2.524 40.505 38.000 -0.032 0.000 1.266 116 I HN 0.241 nan 8.210 nan 0.000 0.434 117 P HA 0.183 nan 4.420 nan 0.000 0.282 117 P C -0.856 176.436 177.300 -0.013 0.000 1.274 117 P CA -0.182 62.888 63.100 -0.051 0.000 0.770 117 P CB 1.495 33.166 31.700 -0.048 0.000 0.867 118 V N 4.003 123.932 119.914 0.026 0.000 2.444 118 V HA 0.262 4.381 4.120 -0.001 0.000 0.294 118 V C 0.469 176.623 176.094 0.101 0.000 1.022 118 V CA -0.681 61.661 62.300 0.070 0.000 0.850 118 V CB 1.590 33.479 31.823 0.110 0.000 0.992 118 V HN 0.538 nan 8.190 nan 0.000 0.426 119 E N 4.929 125.164 120.200 0.058 0.000 2.194 119 E HA 0.539 4.888 4.350 -0.001 0.000 0.284 119 E C -1.200 175.450 176.600 0.082 0.000 1.035 119 E CA -0.286 56.143 56.400 0.047 0.000 0.836 119 E CB 0.813 30.518 29.700 0.009 0.000 1.070 119 E HN 0.621 nan 8.360 nan 0.000 0.401 120 I N 4.298 124.940 120.570 0.121 0.000 2.478 120 I HA 0.141 4.311 4.170 -0.001 0.000 0.287 120 I C -0.710 175.463 176.117 0.093 0.000 1.042 120 I CA -0.707 60.667 61.300 0.124 0.000 1.067 120 I CB 1.855 39.968 38.000 0.189 0.000 1.233 120 I HN 0.599 nan 8.210 nan 0.000 0.431 121 D N 4.871 125.303 120.400 0.052 0.000 2.723 121 D HA -0.186 4.454 4.640 -0.001 0.000 0.236 121 D C 1.123 177.437 176.300 0.023 0.000 1.138 121 D CA 1.498 55.520 54.000 0.036 0.000 0.676 121 D CB -1.123 39.704 40.800 0.045 0.000 1.069 121 D HN 1.180 nan 8.370 nan 0.000 0.430 122 G N -1.710 107.097 108.800 0.013 0.000 2.166 122 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.260 122 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.260 122 G C 0.296 175.180 174.900 -0.027 0.000 0.986 122 G CA 0.489 45.585 45.100 -0.005 0.000 0.683 122 G HN 0.670 nan 8.290 nan 0.000 0.527 123 V N 0.634 120.525 119.914 -0.039 0.000 2.444 123 V HA 0.533 4.652 4.120 -0.001 0.000 0.294 123 V C 0.546 176.482 176.094 -0.263 0.000 1.022 123 V CA -0.936 61.277 62.300 -0.146 0.000 0.850 123 V CB 1.972 33.711 31.823 -0.140 0.000 0.992 123 V HN 0.213 nan 8.190 nan 0.000 0.426 124 V N 5.539 125.300 119.914 -0.254 0.000 2.488 124 V HA 0.354 4.474 4.120 -0.001 0.000 0.277 124 V C -0.038 175.862 176.094 -0.323 0.000 1.046 124 V CA -0.230 61.952 62.300 -0.196 0.000 0.986 124 V CB 0.401 32.165 31.823 -0.097 0.000 0.989 124 V HN 0.780 nan 8.190 nan 0.000 0.475 125 H N 3.549 122.672 119.070 0.087 0.000 2.572 125 H HA 0.458 5.014 4.556 -0.001 0.000 0.359 125 H C -0.657 174.689 175.328 0.030 0.000 1.134 125 H CA -0.840 55.287 56.048 0.132 0.000 1.187 125 H CB 2.106 32.054 29.762 0.311 0.000 1.597 125 H HN 0.534 nan 8.280 nan 0.000 0.524 126 Q N 1.816 121.683 119.800 0.112 0.000 2.267 126 Q HA 0.299 4.639 4.340 -0.001 0.000 0.255 126 Q C -0.286 175.531 176.000 -0.306 0.000 0.923 126 Q CA -0.630 55.079 55.803 -0.156 0.000 0.925 126 Q CB 2.290 30.870 28.738 -0.264 0.000 1.195 126 Q HN 0.291 nan 8.270 nan 0.000 0.417 127 V N 4.137 123.797 119.914 -0.424 0.000 2.357 127 V HA 0.261 4.380 4.120 -0.001 0.000 0.284 127 V C -0.952 174.948 176.094 -0.323 0.000 1.018 127 V CA -0.737 61.291 62.300 -0.453 0.000 0.841 127 V CB 0.495 32.075 31.823 -0.404 0.000 0.991 127 V HN 0.565 nan 8.190 nan 0.000 0.437 128 Y N 3.803 124.037 120.300 -0.109 0.000 2.341 128 Y HA 0.550 5.100 4.550 -0.001 0.000 0.340 128 Y C 0.230 176.142 175.900 0.019 0.000 0.997 128 Y CA -0.677 57.416 58.100 -0.011 0.000 1.149 128 Y CB 1.410 39.867 38.460 -0.005 0.000 1.171 128 Y HN 0.370 nan 8.280 nan 0.000 0.494 129 V N 5.619 125.647 119.914 0.190 0.000 2.459 129 V HA 0.454 4.574 4.120 -0.001 0.000 0.295 129 V C -0.242 175.937 176.094 0.142 0.000 1.029 129 V CA -1.025 61.398 62.300 0.205 0.000 0.874 129 V CB 1.726 33.751 31.823 0.337 0.000 0.985 129 V HN 0.596 nan 8.190 nan 0.000 0.438 130 L N 4.295 125.646 121.223 0.213 0.000 2.341 130 L HA 0.565 4.905 4.340 -0.001 0.000 0.278 130 L C -0.094 176.964 176.870 0.312 0.000 1.005 130 L CA -0.691 54.298 54.840 0.250 0.000 0.818 130 L CB 2.063 44.351 42.059 0.382 0.000 1.259 130 L HN 0.566 nan 8.230 nan 0.000 0.418 131 K N 2.870 123.320 120.400 0.083 0.000 2.205 131 K HA 0.351 4.671 4.320 -0.001 0.000 0.279 131 K C -0.238 176.153 176.600 -0.348 0.000 1.027 131 K CA -0.621 55.632 56.287 -0.057 0.000 0.932 131 K CB 1.411 33.839 32.500 -0.119 0.000 1.032 131 K HN 0.418 nan 8.250 nan 0.000 0.466 132 R N 3.393 123.438 120.500 -0.760 0.000 2.590 132 R HA 0.100 4.440 4.340 -0.001 0.000 0.274 132 R C -2.292 173.604 176.300 -0.674 0.000 1.061 132 R CA -1.370 53.830 56.100 -1.500 0.000 1.081 132 R CB 0.331 29.858 30.300 -1.288 0.000 0.984 132 R HN 0.294 nan 8.270 nan 0.000 0.448 133 P HA -0.082 nan 4.420 nan 0.000 0.266 133 P C -0.923 176.290 177.300 -0.146 0.000 1.193 133 P CA 0.668 63.593 63.100 -0.292 0.000 0.770 133 P CB 0.312 31.921 31.700 -0.151 0.000 0.836 134 H N -1.354 117.671 119.070 -0.075 0.000 3.010 134 H HA -0.159 4.397 4.556 -0.001 0.000 0.272 134 H C 1.160 176.506 175.328 0.030 0.000 1.151 134 H CA 0.472 56.521 56.048 0.002 0.000 1.159 134 H CB -1.936 27.863 29.762 0.061 0.000 1.295 134 H HN 0.252 nan 8.280 nan 0.000 0.344 135 V N 0.805 120.748 119.914 0.049 0.000 2.515 135 V HA -0.182 3.937 4.120 -0.001 0.000 0.250 135 V C 1.898 178.104 176.094 0.186 0.000 1.058 135 V CA 2.440 64.803 62.300 0.107 0.000 1.064 135 V CB 0.027 31.875 31.823 0.042 0.000 0.675 135 V HN 0.330 nan 8.190 nan 0.000 0.461 136 D N -0.322 120.177 120.400 0.165 0.000 2.097 136 D HA -0.195 4.444 4.640 -0.001 0.000 0.197 136 D C 2.052 178.315 176.300 -0.061 0.000 0.984 136 D CA 1.702 55.825 54.000 0.205 0.000 0.826 136 D CB -0.187 40.800 40.800 0.311 0.000 0.973 136 D HN 0.684 nan 8.370 nan 0.000 0.460 137 E N -0.197 120.016 120.200 0.021 0.000 2.110 137 E HA -0.188 4.162 4.350 -0.001 0.000 0.193 137 E C 2.037 178.592 176.600 -0.074 0.000 0.988 137 E CA 0.506 56.883 56.400 -0.040 0.000 0.804 137 E CB -0.171 29.597 29.700 0.113 0.000 0.745 137 E HN 0.151 nan 8.360 nan 0.000 0.458 138 F N 1.427 121.321 119.950 -0.094 0.000 2.051 138 F HA -0.187 4.340 4.527 -0.000 0.000 0.296 138 F C 2.031 177.709 175.800 -0.203 0.000 1.122 138 F CA 1.629 59.567 58.000 -0.104 0.000 1.201 138 F CB -0.412 38.568 39.000 -0.033 0.000 0.978 138 F HN -0.007 nan 8.300 nan 0.000 0.472 139 L N 0.019 121.130 121.223 -0.187 0.000 2.079 139 L HA -0.245 4.095 4.340 -0.001 0.000 0.210 139 L C 2.657 179.166 176.870 -0.602 0.000 1.081 139 L CA 1.502 56.118 54.840 -0.374 0.000 0.752 139 L CB -0.863 41.127 42.059 -0.116 0.000 0.896 139 L HN 0.328 nan 8.230 nan 0.000 0.433 140 Q N 0.391 119.630 119.800 -0.935 0.000 2.084 140 Q HA -0.250 4.089 4.340 -0.001 0.000 0.202 140 Q C 2.306 177.916 176.000 -0.649 0.000 0.978 140 Q CA 1.673 56.753 55.803 -1.204 0.000 0.844 140 Q CB 0.026 27.807 28.738 -1.595 0.000 0.898 140 Q HN 0.249 nan 8.270 nan 0.000 0.426 141 R N -0.155 120.039 120.500 -0.510 0.000 2.075 141 R HA 0.026 4.366 4.340 -0.001 0.000 0.226 141 R C 2.224 178.299 176.300 -0.375 0.000 1.114 141 R CA 1.287 57.163 56.100 -0.372 0.000 0.972 141 R CB -0.422 29.709 30.300 -0.282 0.000 0.869 141 R HN 0.210 nan 8.270 nan 0.000 0.437 142 M N -0.412 118.890 119.600 -0.497 0.000 2.159 142 M HA 0.009 4.489 4.480 -0.001 0.000 0.263 142 M C 2.106 178.273 176.300 -0.222 0.000 1.063 142 M CA 1.785 56.849 55.300 -0.392 0.000 1.110 142 M CB -1.343 30.827 32.600 -0.717 0.000 1.374 142 M HN 0.389 nan 8.290 nan 0.000 0.411 143 G N -0.007 108.621 108.800 -0.286 0.000 2.448 143 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.219 143 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.219 143 G C 1.534 176.344 174.900 -0.151 0.000 1.127 143 G CA 0.634 45.622 45.100 -0.188 0.000 0.766 143 G HN 0.534 nan 8.290 nan 0.000 0.552 144 E N -0.212 119.867 120.200 -0.201 0.000 2.086 144 E HA 0.110 4.460 4.350 -0.001 0.000 0.190 144 E C 2.504 178.965 176.600 -0.232 0.000 0.975 144 E CA 0.135 56.425 56.400 -0.185 0.000 0.813 144 E CB -0.089 29.495 29.700 -0.193 0.000 0.768 144 E HN 0.345 nan 8.360 nan 0.000 0.457 145 L N -0.107 120.915 121.223 -0.334 0.000 2.156 145 L HA -0.009 4.330 4.340 -0.001 0.000 0.208 145 L C 0.412 176.811 176.870 -0.784 0.000 1.095 145 L CA 0.715 55.181 54.840 -0.624 0.000 0.770 145 L CB 0.029 41.556 42.059 -0.888 0.000 0.914 145 L HN 0.005 nan 8.230 nan 0.000 0.439 146 F N -2.029 117.828 119.950 -0.155 0.000 2.706 146 F HA 0.307 4.833 4.527 -0.000 0.000 0.328 146 F C 0.228 175.965 175.800 -0.105 0.000 1.123 146 F CA -1.184 56.740 58.000 -0.127 0.000 0.978 146 F CB 0.962 39.871 39.000 -0.151 0.000 1.404 146 F HN -0.315 nan 8.300 nan 0.000 0.497 147 E N 1.297 121.594 120.200 0.161 0.000 1.993 147 E HA 0.357 4.707 4.350 -0.001 0.000 0.271 147 E C -1.397 175.240 176.600 0.062 0.000 1.008 147 E CA -0.310 56.130 56.400 0.065 0.000 0.814 147 E CB 0.460 30.181 29.700 0.034 0.000 1.098 147 E HN 0.588 nan 8.360 nan 0.000 0.407 148 C N 3.723 123.059 119.300 0.061 0.000 2.536 148 C HA 0.467 4.927 4.460 -0.001 0.000 0.396 148 C C 0.006 175.081 174.990 0.141 0.000 1.279 148 C CA -0.663 58.402 59.018 0.079 0.000 2.148 148 C CB 0.321 28.102 27.740 0.068 0.000 2.584 148 C HN 0.503 nan 8.230 nan 0.000 0.579 149 V N 4.439 124.424 119.914 0.119 0.000 2.577 149 V HA 0.351 4.471 4.120 -0.001 0.000 0.303 149 V C -0.395 175.682 176.094 -0.029 0.000 1.042 149 V CA -0.506 61.818 62.300 0.039 0.000 0.872 149 V CB 1.650 33.448 31.823 -0.041 0.000 0.998 149 V HN 0.699 nan 8.190 nan 0.000 0.423 150 L N 5.333 126.384 121.223 -0.288 0.000 2.319 150 L HA 0.600 4.940 4.340 -0.001 0.000 0.280 150 L C -1.175 175.525 176.870 -0.282 0.000 1.099 150 L CA 0.443 54.967 54.840 -0.527 0.000 0.828 150 L CB 0.569 41.973 42.059 -1.092 0.000 1.150 150 L HN 0.555 nan 8.230 nan 0.000 0.442 151 F N 4.712 124.499 119.950 -0.273 0.000 2.659 151 F HA 0.544 5.071 4.527 -0.001 0.000 0.342 151 F C -0.471 175.250 175.800 -0.131 0.000 1.168 151 F CA -0.516 57.361 58.000 -0.204 0.000 1.003 151 F CB 1.409 40.346 39.000 -0.106 0.000 1.267 151 F HN 0.586 nan 8.300 nan 0.000 0.463 152 T N 2.962 117.650 114.554 0.223 0.000 2.906 152 T HA 0.696 5.045 4.350 -0.001 0.000 0.295 152 T C 0.235 175.018 174.700 0.138 0.000 1.061 152 T CA 0.074 62.248 62.100 0.123 0.000 1.000 152 T CB 1.710 70.644 68.868 0.110 0.000 1.103 152 T HN 0.628 nan 8.240 nan 0.000 0.486 153 A N 2.292 125.139 122.820 0.045 0.000 2.278 153 A HA 0.421 4.741 4.320 -0.001 0.000 0.212 153 A C 1.151 178.680 177.584 -0.091 0.000 1.213 153 A CA 0.224 52.200 52.037 -0.102 0.000 0.840 153 A CB -0.698 18.166 19.000 -0.226 0.000 0.866 153 A HN 0.974 nan 8.150 nan 0.000 0.489 154 S N -0.608 115.152 115.700 0.099 0.000 2.669 154 S HA 0.674 5.144 4.470 -0.001 0.000 0.270 154 S C -0.095 174.631 174.600 0.209 0.000 1.225 154 S CA -0.677 57.623 58.200 0.166 0.000 0.991 154 S CB 0.594 64.019 63.200 0.375 0.000 0.987 154 S HN 0.246 nan 8.310 nan 0.000 0.552 155 L N 1.535 122.852 121.223 0.156 0.000 2.350 155 L HA 0.414 4.754 4.340 -0.001 0.000 0.275 155 L C 1.691 178.521 176.870 -0.067 0.000 1.099 155 L CA -0.495 54.375 54.840 0.050 0.000 0.808 155 L CB 0.779 42.851 42.059 0.023 0.000 1.149 155 L HN 1.006 nan 8.230 nan 0.000 0.442 156 A N 3.280 125.806 122.820 -0.490 0.000 1.940 156 A HA -0.212 4.107 4.320 -0.001 0.000 0.219 156 A C 2.096 179.424 177.584 -0.426 0.000 1.176 156 A CA 1.943 53.368 52.037 -1.019 0.000 0.631 156 A CB -0.536 17.617 19.000 -1.411 0.000 0.814 156 A HN 0.930 nan 8.150 nan 0.000 0.446 157 K N -1.754 118.517 120.400 -0.216 0.000 2.218 157 K HA -0.230 4.090 4.320 -0.001 0.000 0.205 157 K C 1.855 178.444 176.600 -0.020 0.000 1.046 157 K CA 1.871 58.100 56.287 -0.097 0.000 0.933 157 K CB -0.484 31.996 32.500 -0.033 0.000 0.728 157 K HN 0.627 nan 8.250 nan 0.000 0.454 158 Y N 0.906 121.148 120.300 -0.097 0.000 2.284 158 Y HA 0.294 4.843 4.550 -0.000 0.000 0.293 158 Y C 2.489 178.372 175.900 -0.029 0.000 1.140 158 Y CA 0.593 58.661 58.100 -0.053 0.000 1.153 158 Y CB -0.486 37.962 38.460 -0.020 0.000 1.114 158 Y HN 0.007 nan 8.280 nan 0.000 0.521 159 A N 0.757 123.336 122.820 -0.402 0.000 1.908 159 A HA -0.194 4.126 4.320 -0.001 0.000 0.218 159 A C 1.931 179.412 177.584 -0.171 0.000 1.181 159 A CA 2.126 53.948 52.037 -0.358 0.000 0.627 159 A CB -1.002 18.116 19.000 0.196 0.000 0.818 159 A HN 0.607 nan 8.150 nan 0.000 0.445 160 D N -0.428 119.902 120.400 -0.117 0.000 2.092 160 D HA -0.100 4.540 4.640 -0.001 0.000 0.193 160 D C -0.295 175.932 176.300 -0.122 0.000 0.994 160 D CA 1.752 55.715 54.000 -0.061 0.000 0.828 160 D CB -1.463 39.275 40.800 -0.103 0.000 0.963 160 D HN 0.289 nan 8.370 nan 0.000 0.450 161 P HA -0.088 nan 4.420 nan 0.000 0.215 161 P C 1.820 178.965 177.300 -0.259 0.000 1.153 161 P CA 0.683 63.670 63.100 -0.189 0.000 0.853 161 P CB 0.144 31.745 31.700 -0.165 0.000 0.788 162 V N 0.122 119.847 119.914 -0.315 0.000 2.307 162 V HA -0.227 3.893 4.120 -0.001 0.000 0.245 162 V C 2.457 178.429 176.094 -0.204 0.000 1.045 162 V CA 2.232 64.346 62.300 -0.310 0.000 1.024 162 V CB -1.745 29.872 31.823 -0.343 0.000 0.651 162 V HN 0.091 nan 8.190 nan 0.000 0.449 163 A N -0.136 122.620 122.820 -0.107 0.000 1.933 163 A HA -0.247 4.073 4.320 -0.001 0.000 0.218 163 A C 1.974 179.571 177.584 0.022 0.000 1.175 163 A CA 1.947 54.017 52.037 0.056 0.000 0.628 163 A CB -0.602 18.436 19.000 0.062 0.000 0.814 163 A HN 0.541 nan 8.150 nan 0.000 0.444 164 D N 0.006 120.362 120.400 -0.074 0.000 2.144 164 D HA -0.110 4.530 4.640 -0.001 0.000 0.199 164 D C 1.843 178.036 176.300 -0.179 0.000 0.984 164 D CA 1.071 55.011 54.000 -0.100 0.000 0.834 164 D CB -0.237 40.492 40.800 -0.117 0.000 0.955 164 D HN 0.475 nan 8.370 nan 0.000 0.465 165 L N -0.010 121.025 121.223 -0.313 0.000 2.270 165 L HA 0.021 4.361 4.340 -0.001 0.000 0.210 165 L C 2.460 179.144 176.870 -0.311 0.000 1.104 165 L CA 0.176 54.734 54.840 -0.469 0.000 0.804 165 L CB 0.035 41.468 42.059 -1.044 0.000 0.937 165 L HN 0.024 nan 8.230 nan 0.000 0.450 166 L N -0.425 120.703 121.223 -0.158 0.000 2.049 166 L HA -0.078 4.262 4.340 -0.001 0.000 0.203 166 L C 0.729 177.638 176.870 0.065 0.000 1.074 166 L CA 0.819 55.725 54.840 0.110 0.000 0.749 166 L CB -0.001 42.204 42.059 0.244 0.000 0.907 166 L HN 0.200 nan 8.230 nan 0.000 0.439 167 D N 0.442 120.860 120.400 0.029 0.000 2.483 167 D HA 0.001 4.641 4.640 -0.001 0.000 0.220 167 D C 0.800 176.944 176.300 -0.260 0.000 1.173 167 D CA 0.118 54.093 54.000 -0.040 0.000 0.964 167 D CB 0.587 41.378 40.800 -0.015 0.000 1.046 167 D HN -0.070 nan 8.370 nan 0.000 0.517 168 K N 2.344 122.283 120.400 -0.769 0.000 2.459 168 K HA 0.017 4.336 4.320 -0.001 0.000 0.193 168 K C 0.748 176.781 176.600 -0.946 0.000 1.030 168 K CA 0.291 55.962 56.287 -1.027 0.000 1.026 168 K CB 0.406 32.011 32.500 -1.492 0.000 0.809 168 K HN 0.631 nan 8.250 nan 0.000 0.504 169 W N 0.354 121.601 121.300 -0.088 0.000 3.005 169 W HA 0.228 4.888 4.660 -0.001 0.000 0.374 169 W C 0.534 176.995 176.519 -0.096 0.000 1.076 169 W CA -0.122 57.169 57.345 -0.090 0.000 1.794 169 W CB 0.079 29.475 29.460 -0.106 0.000 1.113 169 W HN 0.196 nan 8.180 nan 0.000 0.584 170 G N 1.476 110.311 108.800 0.058 0.000 2.221 170 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.265 170 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.265 170 G C 1.180 176.094 174.900 0.023 0.000 1.041 170 G CA 0.491 45.611 45.100 0.034 0.000 0.807 170 G HN 0.307 nan 8.290 nan 0.000 0.502 171 A N -0.585 122.215 122.820 -0.033 0.000 1.902 171 A HA 0.371 4.690 4.320 -0.001 0.000 0.217 171 A C 0.961 178.472 177.584 -0.122 0.000 1.181 171 A CA 1.083 53.028 52.037 -0.154 0.000 0.623 171 A CB -0.189 18.609 19.000 -0.336 0.000 0.818 171 A HN 0.702 nan 8.150 nan 0.000 0.443 172 F N 0.705 120.675 119.950 0.034 0.000 2.462 172 F HA 0.297 4.824 4.527 -0.001 0.000 0.360 172 F C 1.375 177.168 175.800 -0.012 0.000 1.134 172 F CA -0.698 57.302 58.000 -0.001 0.000 1.148 172 F CB 0.551 39.548 39.000 -0.004 0.000 1.147 172 F HN 0.076 nan 8.300 nan 0.000 0.550 173 R N 2.023 122.617 120.500 0.158 0.000 2.236 173 R HA 0.325 4.665 4.340 -0.001 0.000 0.208 173 R C 0.379 176.705 176.300 0.044 0.000 1.036 173 R CA 0.378 56.522 56.100 0.073 0.000 1.001 173 R CB -0.270 30.054 30.300 0.040 0.000 0.896 173 R HN 0.584 nan 8.270 nan 0.000 0.464 174 A N 0.560 123.399 122.820 0.031 0.000 2.610 174 A HA 0.719 5.039 4.320 -0.001 0.000 0.291 174 A C -1.230 176.265 177.584 -0.149 0.000 1.086 174 A CA -0.799 51.207 52.037 -0.051 0.000 0.677 174 A CB 1.512 20.460 19.000 -0.086 0.000 1.278 174 A HN 0.106 nan 8.150 nan 0.000 0.414 175 R N 0.057 120.411 120.500 -0.243 0.000 2.575 175 R HA 0.700 5.040 4.340 -0.001 0.000 0.293 175 R C -1.672 174.187 176.300 -0.734 0.000 0.983 175 R CA -0.469 55.324 56.100 -0.512 0.000 0.887 175 R CB 2.000 32.055 30.300 -0.409 0.000 1.184 175 R HN 0.571 nan 8.270 nan 0.000 0.445 176 L N 3.715 124.375 121.223 -0.937 0.000 2.385 176 L HA 0.581 4.921 4.340 -0.001 0.000 0.273 176 L C -0.864 175.533 176.870 -0.789 0.000 0.990 176 L CA -0.646 53.700 54.840 -0.823 0.000 0.821 176 L CB 1.176 42.612 42.059 -1.038 0.000 1.279 176 L HN 0.455 nan 8.230 nan 0.000 0.412 177 F N 0.279 120.233 119.950 0.007 0.000 2.695 177 F HA 0.489 5.015 4.527 -0.000 0.000 0.392 177 F C 1.648 177.527 175.800 0.131 0.000 1.209 177 F CA -0.810 57.235 58.000 0.075 0.000 1.138 177 F CB 0.300 39.314 39.000 0.024 0.000 1.557 177 F HN 0.367 nan 8.300 nan 0.000 0.496 178 R N 0.261 120.929 120.500 0.280 0.000 2.119 178 R HA -0.220 4.120 4.340 -0.001 0.000 0.246 178 R C 1.606 178.023 176.300 0.195 0.000 1.146 178 R CA 2.346 58.514 56.100 0.113 0.000 0.962 178 R CB -0.266 30.002 30.300 -0.054 0.000 0.863 178 R HN 0.667 nan 8.270 nan 0.000 0.442 179 E N -0.113 120.204 120.200 0.195 0.000 2.160 179 E HA -0.125 4.225 4.350 -0.001 0.000 0.195 179 E C 1.767 178.492 176.600 0.208 0.000 0.991 179 E CA 1.640 58.148 56.400 0.180 0.000 0.810 179 E CB -0.025 29.760 29.700 0.143 0.000 0.742 179 E HN 0.205 nan 8.360 nan 0.000 0.466 180 S N -0.457 115.385 115.700 0.237 0.000 2.603 180 S HA 0.059 4.529 4.470 -0.001 0.000 0.220 180 S C 0.522 175.380 174.600 0.430 0.000 0.967 180 S CA -0.216 58.132 58.200 0.245 0.000 0.920 180 S CB -0.012 63.223 63.200 0.060 0.000 0.773 180 S HN 0.249 nan 8.310 nan 0.000 0.529 181 C N 1.489 121.045 119.300 0.426 0.000 2.422 181 C HA 0.535 4.995 4.460 -0.001 0.000 0.364 181 C C 0.593 175.794 174.990 0.352 0.000 1.251 181 C CA -0.844 58.405 59.018 0.385 0.000 2.441 181 C CB 0.751 28.715 27.740 0.372 0.000 2.393 181 C HN 0.160 nan 8.230 nan 0.000 0.606 182 V N 2.487 122.573 119.914 0.288 0.000 2.328 182 V HA 0.206 4.326 4.120 -0.001 0.000 0.278 182 V C -0.277 175.961 176.094 0.240 0.000 1.021 182 V CA -0.224 62.234 62.300 0.264 0.000 0.838 182 V CB 0.632 32.600 31.823 0.243 0.000 0.999 182 V HN 0.683 nan 8.190 nan 0.000 0.447 183 F N 5.838 125.821 119.950 0.056 0.000 2.468 183 F HA 0.377 4.903 4.527 -0.001 0.000 0.356 183 F C 0.149 175.938 175.800 -0.018 0.000 1.167 183 F CA -0.244 57.672 58.000 -0.139 0.000 1.135 183 F CB -0.109 38.771 39.000 -0.199 0.000 1.197 183 F HN 0.638 nan 8.300 nan 0.000 0.569 184 H N 4.840 123.636 119.070 -0.456 0.000 2.589 184 H HA 0.437 4.993 4.556 -0.000 0.000 0.335 184 H C 0.162 175.211 175.328 -0.465 0.000 1.019 184 H CA -0.791 55.061 56.048 -0.327 0.000 1.213 184 H CB 0.545 30.221 29.762 -0.144 0.000 1.472 184 H HN 0.660 nan 8.280 nan 0.000 0.508 185 R N 3.803 123.796 120.500 -0.846 0.000 3.322 185 R HA -0.226 4.113 4.340 -0.001 0.000 0.253 185 R C 0.897 176.841 176.300 -0.594 0.000 0.987 185 R CA 0.929 56.628 56.100 -0.669 0.000 0.666 185 R CB -1.853 28.044 30.300 -0.671 0.000 1.072 185 R HN 1.188 nan 8.270 nan 0.000 0.447 186 G N -1.273 106.980 108.800 -0.911 0.000 2.162 186 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.260 186 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.260 186 G C -0.138 174.345 174.900 -0.695 0.000 0.976 186 G CA 0.322 44.934 45.100 -0.813 0.000 0.655 186 G HN 0.477 nan 8.290 nan 0.000 0.533 187 N N -0.628 117.610 118.700 -0.769 0.000 2.272 187 N HA 0.530 5.269 4.740 -0.001 0.000 0.305 187 N C -1.138 174.153 175.510 -0.365 0.000 1.103 187 N CA -0.530 52.295 53.050 -0.376 0.000 0.791 187 N CB 1.124 39.476 38.487 -0.224 0.000 1.356 187 N HN 0.071 nan 8.380 nan 0.000 0.486 188 Y N 0.468 120.811 120.300 0.071 0.000 2.404 188 Y HA 0.263 4.813 4.550 -0.001 0.000 0.344 188 Y C 0.434 176.306 175.900 -0.047 0.000 0.995 188 Y CA -0.360 57.812 58.100 0.120 0.000 1.201 188 Y CB 0.750 39.301 38.460 0.151 0.000 1.151 188 Y HN 0.069 nan 8.280 nan 0.000 0.517 189 V N 4.504 124.427 119.914 0.016 0.000 2.483 189 V HA 0.339 4.459 4.120 -0.001 0.000 0.295 189 V C -0.432 175.585 176.094 -0.129 0.000 1.035 189 V CA -1.407 60.799 62.300 -0.156 0.000 0.896 189 V CB 1.735 33.295 31.823 -0.438 0.000 0.986 189 V HN 0.478 nan 8.190 nan 0.000 0.447 190 K N 2.845 123.103 120.400 -0.237 0.000 2.231 190 K HA 0.250 4.570 4.320 -0.001 0.000 0.275 190 K C -0.222 176.362 176.600 -0.028 0.000 1.105 190 K CA -0.141 55.880 56.287 -0.443 0.000 0.931 190 K CB -0.017 32.021 32.500 -0.770 0.000 1.296 190 K HN 0.536 nan 8.250 nan 0.000 0.446 191 D N 3.769 124.280 120.400 0.184 0.000 2.383 191 D HA 0.012 4.651 4.640 -0.001 0.000 0.245 191 D C 0.739 177.216 176.300 0.294 0.000 1.263 191 D CA 0.019 54.257 54.000 0.397 0.000 0.936 191 D CB 0.538 41.597 40.800 0.433 0.000 1.053 191 D HN 0.431 nan 8.370 nan 0.000 0.507 192 L N 2.235 123.444 121.223 -0.024 0.000 2.191 192 L HA -0.146 4.194 4.340 -0.001 0.000 0.212 192 L C 2.175 179.012 176.870 -0.054 0.000 1.103 192 L CA 0.512 55.219 54.840 -0.221 0.000 0.769 192 L CB -0.310 41.347 42.059 -0.669 0.000 0.908 192 L HN 0.258 nan 8.230 nan 0.000 0.438 193 S N -0.232 115.544 115.700 0.127 0.000 2.469 193 S HA -0.081 4.389 4.470 -0.001 0.000 0.238 193 S C 1.865 176.618 174.600 0.254 0.000 0.998 193 S CA 0.909 59.249 58.200 0.233 0.000 0.957 193 S CB -0.179 63.218 63.200 0.328 0.000 0.764 193 S HN 0.438 nan 8.310 nan 0.000 0.514 194 R N 0.010 120.666 120.500 0.261 0.000 2.300 194 R HA 0.210 4.550 4.340 -0.001 0.000 0.199 194 R C 1.203 177.686 176.300 0.305 0.000 0.920 194 R CA 0.004 56.288 56.100 0.307 0.000 1.046 194 R CB -0.144 30.310 30.300 0.256 0.000 0.984 194 R HN 0.241 nan 8.270 nan 0.000 0.493 195 L N -0.125 121.193 121.223 0.158 0.000 2.017 195 L HA -0.001 4.338 4.340 -0.001 0.000 0.208 195 L C 1.493 178.315 176.870 -0.080 0.000 1.073 195 L CA 2.197 57.060 54.840 0.039 0.000 0.745 195 L CB -0.561 41.491 42.059 -0.011 0.000 0.894 195 L HN 0.468 nan 8.230 nan 0.000 0.432 196 G N -1.158 107.423 108.800 -0.366 0.000 2.141 196 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.195 196 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.195 196 G C 0.182 174.779 174.900 -0.504 0.000 1.012 196 G CA -0.414 44.066 45.100 -1.033 0.000 0.696 196 G HN 0.153 nan 8.290 nan 0.000 0.508 197 R N 0.134 120.458 120.500 -0.293 0.000 2.807 197 R HA 0.413 4.752 4.340 -0.001 0.000 0.276 197 R C -0.955 175.272 176.300 -0.123 0.000 0.979 197 R CA -0.991 55.006 56.100 -0.171 0.000 0.928 197 R CB 1.203 31.436 30.300 -0.112 0.000 1.191 197 R HN 0.235 nan 8.270 nan 0.000 0.471 198 D N 2.558 122.908 120.400 -0.085 0.000 2.412 198 D HA -0.013 4.626 4.640 -0.001 0.000 0.257 198 D C 1.220 177.499 176.300 -0.034 0.000 1.217 198 D CA 0.152 54.127 54.000 -0.042 0.000 0.897 198 D CB 0.893 41.675 40.800 -0.030 0.000 1.132 198 D HN 0.417 nan 8.370 nan 0.000 0.493 199 L N 3.903 125.135 121.223 0.014 0.000 2.261 199 L HA -0.141 4.198 4.340 -0.001 0.000 0.216 199 L C 2.349 179.157 176.870 -0.104 0.000 1.114 199 L CA 0.797 55.653 54.840 0.026 0.000 0.777 199 L CB -0.182 41.991 42.059 0.191 0.000 0.910 199 L HN 0.332 nan 8.230 nan 0.000 0.440 200 R N 0.004 120.463 120.500 -0.067 0.000 2.280 200 R HA -0.012 4.328 4.340 -0.001 0.000 0.207 200 R C 0.852 177.013 176.300 -0.232 0.000 1.043 200 R CA 0.579 56.551 56.100 -0.213 0.000 1.006 200 R CB 0.070 30.367 30.300 -0.006 0.000 0.885 200 R HN 0.315 nan 8.270 nan 0.000 0.467 201 R N 0.186 120.596 120.500 -0.150 0.000 2.727 201 R HA 0.255 4.594 4.340 -0.001 0.000 0.410 201 R C -1.240 175.002 176.300 -0.098 0.000 1.101 201 R CA -0.131 55.906 56.100 -0.105 0.000 1.045 201 R CB 1.502 31.769 30.300 -0.055 0.000 1.380 201 R HN -0.113 nan 8.270 nan 0.000 0.587 202 V N 1.630 121.455 119.914 -0.147 0.000 2.709 202 V HA 0.516 4.636 4.120 -0.001 0.000 0.308 202 V C -0.485 175.517 176.094 -0.154 0.000 1.062 202 V CA -0.763 61.461 62.300 -0.127 0.000 0.901 202 V CB 2.716 34.474 31.823 -0.109 0.000 1.003 202 V HN 0.208 nan 8.190 nan 0.000 0.425 203 L N 4.746 125.882 121.223 -0.145 0.000 2.354 203 L HA 0.699 5.038 4.340 -0.001 0.000 0.264 203 L C -0.898 175.918 176.870 -0.090 0.000 1.008 203 L CA -0.642 54.118 54.840 -0.133 0.000 0.819 203 L CB 2.546 44.510 42.059 -0.159 0.000 1.339 203 L HN 0.585 nan 8.230 nan 0.000 0.420 204 I N 2.708 123.241 120.570 -0.061 0.000 2.499 204 I HA 0.421 4.591 4.170 -0.001 0.000 0.288 204 I C -1.699 174.430 176.117 0.021 0.000 1.048 204 I CA -0.772 60.519 61.300 -0.015 0.000 1.062 204 I CB 2.012 40.012 38.000 0.000 0.000 1.238 204 I HN 0.464 nan 8.210 nan 0.000 0.426 205 L N 8.357 129.639 121.223 0.099 0.000 2.294 205 L HA 0.645 4.985 4.340 -0.001 0.000 0.283 205 L C -1.337 175.636 176.870 0.172 0.000 1.015 205 L CA 0.352 55.299 54.840 0.178 0.000 0.831 205 L CB 0.892 43.104 42.059 0.255 0.000 1.217 205 L HN 0.592 nan 8.230 nan 0.000 0.420 206 D N 2.036 122.568 120.400 0.220 0.000 2.753 206 D HA 0.188 4.828 4.640 -0.001 0.000 0.224 206 D C 0.211 176.647 176.300 0.226 0.000 1.213 206 D CA -0.235 53.895 54.000 0.216 0.000 0.833 206 D CB 1.714 42.663 40.800 0.247 0.000 1.607 206 D HN 0.692 nan 8.370 nan 0.000 0.463 207 N N 0.299 119.082 118.700 0.139 0.000 2.467 207 N HA -0.047 4.693 4.740 -0.001 0.000 0.184 207 N C 0.093 175.649 175.510 0.076 0.000 1.106 207 N CA -0.047 53.069 53.050 0.110 0.000 0.892 207 N CB 0.421 38.949 38.487 0.068 0.000 0.969 207 N HN 0.045 nan 8.380 nan 0.000 0.454 208 S N 0.149 115.869 115.700 0.034 0.000 2.498 208 S HA 0.385 4.854 4.470 -0.001 0.000 0.324 208 S C -1.935 172.486 174.600 -0.299 0.000 1.071 208 S CA -1.856 56.306 58.200 -0.064 0.000 1.113 208 S CB 1.168 64.346 63.200 -0.037 0.000 0.976 208 S HN -0.079 nan 8.310 nan 0.000 0.462 209 P HA -0.080 nan 4.420 nan 0.000 0.216 209 P C 1.371 178.192 177.300 -0.799 0.000 1.150 209 P CA 1.269 63.870 63.100 -0.831 0.000 0.843 209 P CB 0.100 31.627 31.700 -0.289 0.000 0.787 210 A N -0.652 121.932 122.820 -0.392 0.000 2.024 210 A HA -0.203 4.117 4.320 -0.001 0.000 0.220 210 A C 2.291 179.689 177.584 -0.309 0.000 1.164 210 A CA 2.057 53.925 52.037 -0.280 0.000 0.643 210 A CB -1.548 17.354 19.000 -0.162 0.000 0.806 210 A HN 0.147 nan 8.150 nan 0.000 0.451 211 S N -1.104 114.399 115.700 -0.329 0.000 2.419 211 S HA -0.131 4.338 4.470 -0.001 0.000 0.233 211 S C 1.045 175.559 174.600 -0.144 0.000 1.016 211 S CA 1.474 59.549 58.200 -0.209 0.000 0.974 211 S CB -0.431 62.700 63.200 -0.114 0.000 0.786 211 S HN 0.949 nan 8.310 nan 0.000 0.492 212 Y N -1.429 118.839 120.300 -0.055 0.000 2.734 212 Y HA 0.648 5.198 4.550 -0.000 0.000 0.278 212 Y C 1.159 177.066 175.900 0.012 0.000 1.108 212 Y CA -0.901 57.202 58.100 0.005 0.000 1.211 212 Y CB -0.811 37.684 38.460 0.058 0.000 1.182 212 Y HN -0.066 nan 8.280 nan 0.000 0.547 213 V N 0.513 120.380 119.914 -0.078 0.000 2.453 213 V HA -0.264 3.856 4.120 -0.001 0.000 0.252 213 V C 1.424 177.601 176.094 0.139 0.000 1.068 213 V CA 2.150 64.426 62.300 -0.040 0.000 1.070 213 V CB -0.507 31.204 31.823 -0.187 0.000 0.664 213 V HN 0.502 nan 8.190 nan 0.000 0.461 214 F N -0.070 119.868 119.950 -0.020 0.000 2.710 214 F HA 0.228 4.754 4.527 -0.001 0.000 0.298 214 F C 1.128 176.642 175.800 -0.478 0.000 1.137 214 F CA 0.292 58.142 58.000 -0.250 0.000 1.444 214 F CB -0.618 38.193 39.000 -0.315 0.000 1.111 214 F HN 0.421 nan 8.300 nan 0.000 0.580 215 H N -0.950 118.292 119.070 0.286 0.000 2.616 215 H HA 0.200 4.755 4.556 -0.001 0.000 0.229 215 H C -1.750 173.695 175.328 0.195 0.000 1.418 215 H CA -1.358 54.823 56.048 0.221 0.000 1.248 215 H CB 0.206 30.090 29.762 0.203 0.000 1.822 215 H HN -0.157 nan 8.280 nan 0.000 0.522 216 P HA -0.161 nan 4.420 nan 0.000 0.219 216 P C 0.347 177.720 177.300 0.122 0.000 1.146 216 P CA 1.175 64.414 63.100 0.233 0.000 0.808 216 P CB 0.586 32.413 31.700 0.212 0.000 0.779 217 D N -0.558 119.944 120.400 0.170 0.000 2.328 217 D HA 0.011 4.651 4.640 -0.001 0.000 0.226 217 D C 0.709 177.185 176.300 0.294 0.000 1.066 217 D CA 0.410 54.535 54.000 0.209 0.000 0.861 217 D CB -0.431 40.472 40.800 0.172 0.000 0.912 217 D HN 0.279 nan 8.370 nan 0.000 0.521 218 N N -0.245 118.565 118.700 0.183 0.000 2.184 218 N HA 0.173 4.912 4.740 -0.001 0.000 0.206 218 N C -0.075 175.381 175.510 -0.090 0.000 1.151 218 N CA -0.145 52.933 53.050 0.047 0.000 0.878 218 N CB 1.092 39.616 38.487 0.061 0.000 1.014 218 N HN -0.022 nan 8.380 nan 0.000 0.512 219 A N 0.316 123.019 122.820 -0.195 0.000 2.303 219 A HA 0.641 4.960 4.320 -0.001 0.000 0.317 219 A C -0.472 176.975 177.584 -0.227 0.000 1.149 219 A CA -0.384 51.398 52.037 -0.426 0.000 0.822 219 A CB 0.845 19.091 19.000 -1.257 0.000 1.131 219 A HN 0.001 nan 8.150 nan 0.000 0.493 220 V N 4.359 124.185 119.914 -0.147 0.000 2.357 220 V HA 0.292 4.412 4.120 -0.001 0.000 0.281 220 V C -2.390 173.722 176.094 0.030 0.000 1.015 220 V CA -1.329 60.966 62.300 -0.009 0.000 0.827 220 V CB 1.193 33.018 31.823 0.002 0.000 1.018 220 V HN 0.802 nan 8.190 nan 0.000 0.432 221 P HA 0.288 nan 4.420 nan 0.000 0.269 221 P C -0.839 176.529 177.300 0.113 0.000 1.215 221 P CA 0.061 63.235 63.100 0.124 0.000 0.780 221 P CB 1.117 32.892 31.700 0.125 0.000 0.898 222 V N 1.033 121.026 119.914 0.131 0.000 2.891 222 V HA 0.647 4.767 4.120 -0.001 0.000 0.304 222 V C -0.990 175.163 176.094 0.099 0.000 1.171 222 V CA -0.897 61.462 62.300 0.098 0.000 0.943 222 V CB 1.859 33.738 31.823 0.092 0.000 1.037 222 V HN 0.713 nan 8.190 nan 0.000 0.427 223 A N 4.310 127.184 122.820 0.089 0.000 2.407 223 A HA 0.639 4.958 4.320 -0.001 0.000 0.248 223 A C 0.574 178.224 177.584 0.109 0.000 1.082 223 A CA 0.242 52.341 52.037 0.103 0.000 0.785 223 A CB 0.205 19.271 19.000 0.110 0.000 1.020 223 A HN 1.181 nan 8.150 nan 0.000 0.489 224 S N 0.689 116.447 115.700 0.096 0.000 2.537 224 S HA 0.208 4.678 4.470 -0.001 0.000 0.286 224 S C -0.565 174.025 174.600 -0.015 0.000 1.299 224 S CA 0.318 58.517 58.200 -0.001 0.000 1.067 224 S CB 0.071 63.277 63.200 0.011 0.000 0.864 224 S HN 0.649 nan 8.310 nan 0.000 0.494 225 W N 3.747 124.825 121.300 -0.370 0.000 2.632 225 W HA 0.622 5.282 4.660 -0.000 0.000 0.328 225 W C -0.886 175.270 176.519 -0.606 0.000 1.044 225 W CA -0.918 56.264 57.345 -0.272 0.000 1.225 225 W CB 0.662 30.056 29.460 -0.109 0.000 1.396 225 W HN 0.644 nan 8.180 nan 0.000 0.499 226 F N 1.379 120.661 119.950 -1.114 0.000 2.421 226 F HA 0.160 4.686 4.527 -0.000 0.000 0.270 226 F C 1.193 176.059 175.800 -1.556 0.000 0.894 226 F CA 0.428 57.694 58.000 -1.222 0.000 1.128 226 F CB 0.229 38.689 39.000 -0.900 0.000 1.011 226 F HN 0.294 nan 8.300 nan 0.000 0.788 227 D N -2.770 116.876 120.400 -1.257 0.000 2.489 227 D HA 0.064 4.704 4.640 -0.001 0.000 0.343 227 D C -0.341 175.802 176.300 -0.263 0.000 1.295 227 D CA -0.231 53.315 54.000 -0.757 0.000 0.908 227 D CB -1.208 39.416 40.800 -0.293 0.000 1.382 227 D HN -0.033 nan 8.370 nan 0.000 0.468 228 N N 1.471 120.030 118.700 -0.235 0.000 2.416 228 N HA 0.005 4.745 4.740 -0.001 0.000 0.271 228 N C 0.705 176.489 175.510 0.457 0.000 1.245 228 N CA 0.075 53.213 53.050 0.148 0.000 0.940 228 N CB 0.515 39.092 38.487 0.151 0.000 1.175 228 N HN 0.015 nan 8.380 nan 0.000 0.483 229 M N 1.482 121.259 119.600 0.295 0.000 2.659 229 M HA 0.013 4.492 4.480 -0.001 0.000 0.243 229 M C 0.811 177.220 176.300 0.182 0.000 1.111 229 M CA 0.519 55.978 55.300 0.265 0.000 1.070 229 M CB -0.771 31.929 32.600 0.167 0.000 1.525 229 M HN 0.418 nan 8.290 nan 0.000 0.517 230 S N -0.426 115.383 115.700 0.181 0.000 2.556 230 S HA 0.026 4.496 4.470 -0.001 0.000 0.216 230 S C 0.631 175.327 174.600 0.160 0.000 0.970 230 S CA -0.372 57.911 58.200 0.137 0.000 0.912 230 S CB 0.203 63.464 63.200 0.102 0.000 0.790 230 S HN 0.466 nan 8.310 nan 0.000 0.504 231 D N 2.720 123.254 120.400 0.224 0.000 2.455 231 D HA -0.006 4.634 4.640 -0.001 0.000 0.241 231 D C 0.580 176.969 176.300 0.148 0.000 1.138 231 D CA 0.821 54.944 54.000 0.205 0.000 0.877 231 D CB 0.906 41.893 40.800 0.311 0.000 1.187 231 D HN 0.296 nan 8.370 nan 0.000 0.451 232 T N -0.038 114.571 114.554 0.092 0.000 3.275 232 T HA 0.081 4.431 4.350 -0.001 0.000 0.298 232 T C 1.099 175.799 174.700 -0.001 0.000 0.988 232 T CA -0.482 61.630 62.100 0.021 0.000 0.936 232 T CB 0.458 69.310 68.868 -0.026 0.000 1.159 232 T HN 0.297 nan 8.240 nan 0.000 0.519 233 E N 2.046 122.251 120.200 0.009 0.000 2.097 233 E HA -0.063 4.287 4.350 -0.001 0.000 0.196 233 E C 1.757 178.325 176.600 -0.054 0.000 1.000 233 E CA 1.451 57.845 56.400 -0.010 0.000 0.804 233 E CB -0.653 29.045 29.700 -0.002 0.000 0.740 233 E HN 0.636 nan 8.360 nan 0.000 0.454 234 L N -0.239 120.899 121.223 -0.141 0.000 2.056 234 L HA -0.181 4.159 4.340 -0.001 0.000 0.207 234 L C 2.745 179.606 176.870 -0.014 0.000 1.078 234 L CA 1.571 56.233 54.840 -0.297 0.000 0.749 234 L CB -0.746 41.007 42.059 -0.509 0.000 0.901 234 L HN 0.377 nan 8.230 nan 0.000 0.433 235 H N 0.591 119.590 119.070 -0.118 0.000 2.321 235 H HA -0.180 4.376 4.556 -0.000 0.000 0.300 235 H C 1.473 176.782 175.328 -0.033 0.000 1.087 235 H CA 1.898 57.865 56.048 -0.135 0.000 1.319 235 H CB 0.257 29.718 29.762 -0.501 0.000 1.379 235 H HN 0.329 nan 8.280 nan 0.000 0.501 236 D N 0.513 120.911 120.400 -0.003 0.000 2.264 236 D HA -0.076 4.564 4.640 -0.001 0.000 0.208 236 D C 2.336 178.646 176.300 0.017 0.000 0.966 236 D CA 0.336 54.331 54.000 -0.009 0.000 0.864 236 D CB -0.025 40.788 40.800 0.022 0.000 0.933 236 D HN 0.409 nan 8.370 nan 0.000 0.499 237 L N 0.019 121.298 121.223 0.093 0.000 2.341 237 L HA 0.040 4.380 4.340 -0.001 0.000 0.214 237 L C 2.318 179.398 176.870 0.349 0.000 1.115 237 L CA 0.065 55.032 54.840 0.210 0.000 0.820 237 L CB -0.018 42.237 42.059 0.327 0.000 0.944 237 L HN 0.005 nan 8.230 nan 0.000 0.452 238 L N 0.297 121.705 121.223 0.308 0.000 2.013 238 L HA -0.216 4.123 4.340 -0.001 0.000 0.212 238 L C -0.180 176.806 176.870 0.193 0.000 1.073 238 L CA 1.826 56.838 54.840 0.287 0.000 0.753 238 L CB -1.738 40.376 42.059 0.092 0.000 0.890 238 L HN 0.231 nan 8.230 nan 0.000 0.432 239 P HA -0.227 nan 4.420 nan 0.000 0.216 239 P C 1.507 178.903 177.300 0.160 0.000 1.150 239 P CA 1.426 64.575 63.100 0.082 0.000 0.843 239 P CB -0.057 31.666 31.700 0.040 0.000 0.787 240 F N -0.911 119.021 119.950 -0.030 0.000 2.113 240 F HA -0.099 4.428 4.527 -0.000 0.000 0.297 240 F C 1.943 177.702 175.800 -0.068 0.000 1.103 240 F CA 1.114 59.051 58.000 -0.105 0.000 1.248 240 F CB -1.068 37.794 39.000 -0.230 0.000 0.999 240 F HN -0.209 nan 8.300 nan 0.000 0.475 241 F N 1.070 121.078 119.950 0.097 0.000 2.216 241 F HA -0.143 4.384 4.527 -0.001 0.000 0.300 241 F C 2.422 178.253 175.800 0.052 0.000 1.085 241 F CA 1.332 59.392 58.000 0.098 0.000 1.326 241 F CB -0.744 38.406 39.000 0.249 0.000 1.027 241 F HN 0.015 nan 8.300 nan 0.000 0.497 242 E N -0.049 120.246 120.200 0.159 0.000 2.077 242 E HA -0.278 4.072 4.350 -0.001 0.000 0.193 242 E C 2.141 178.722 176.600 -0.032 0.000 0.989 242 E CA 1.283 57.690 56.400 0.011 0.000 0.800 242 E CB -0.512 29.191 29.700 0.006 0.000 0.746 242 E HN 0.562 nan 8.360 nan 0.000 0.452 243 Q N 0.792 120.581 119.800 -0.019 0.000 2.016 243 Q HA -0.123 4.216 4.340 -0.001 0.000 0.200 243 Q C 2.446 178.393 176.000 -0.088 0.000 0.978 243 Q CA 0.919 56.695 55.803 -0.045 0.000 0.833 243 Q CB -0.090 28.646 28.738 -0.004 0.000 0.895 243 Q HN 0.213 nan 8.270 nan 0.000 0.427 244 L N 1.077 122.207 121.223 -0.155 0.000 2.079 244 L HA -0.195 4.145 4.340 -0.001 0.000 0.210 244 L C 2.733 179.638 176.870 0.059 0.000 1.081 244 L CA 1.405 56.185 54.840 -0.100 0.000 0.752 244 L CB -0.604 41.344 42.059 -0.185 0.000 0.896 244 L HN 0.385 nan 8.230 nan 0.000 0.433 245 S N -0.164 115.544 115.700 0.013 0.000 2.442 245 S HA -0.176 4.294 4.470 -0.001 0.000 0.236 245 S C 1.935 176.429 174.600 -0.176 0.000 1.007 245 S CA 0.823 58.863 58.200 -0.266 0.000 0.965 245 S CB -0.288 62.428 63.200 -0.805 0.000 0.773 245 S HN 0.460 nan 8.310 nan 0.000 0.504 246 R N 0.935 121.365 120.500 -0.116 0.000 2.290 246 R HA 0.273 4.612 4.340 -0.001 0.000 0.197 246 R C 0.802 177.069 176.300 -0.056 0.000 0.913 246 R CA 0.422 56.468 56.100 -0.089 0.000 1.040 246 R CB 0.058 30.310 30.300 -0.081 0.000 0.992 246 R HN 0.530 nan 8.270 nan 0.000 0.500 247 V N -0.896 118.991 119.914 -0.045 0.000 3.133 247 V HA 0.091 4.211 4.120 -0.001 0.000 0.305 247 V C 0.589 176.665 176.094 -0.029 0.000 1.084 247 V CA -0.200 62.080 62.300 -0.034 0.000 1.089 247 V CB 1.187 32.989 31.823 -0.036 0.000 1.073 247 V HN -0.005 nan 8.190 nan 0.000 0.477 248 D N 0.186 120.572 120.400 -0.023 0.000 2.277 248 D HA 0.086 4.726 4.640 -0.001 0.000 0.209 248 D C -0.001 176.284 176.300 -0.024 0.000 0.970 248 D CA 1.162 55.150 54.000 -0.020 0.000 0.874 248 D CB 0.441 41.235 40.800 -0.010 0.000 0.982 248 D HN 0.810 nan 8.370 nan 0.000 0.504 249 D N 0.494 120.879 120.400 -0.025 0.000 2.575 249 D HA 0.041 4.681 4.640 -0.001 0.000 0.250 249 D C 1.425 177.682 176.300 -0.072 0.000 1.279 249 D CA -0.443 53.535 54.000 -0.038 0.000 0.925 249 D CB 2.074 42.892 40.800 0.030 0.000 1.261 249 D HN -0.154 nan 8.370 nan 0.000 0.567 250 V N 3.154 122.958 119.914 -0.183 0.000 2.568 250 V HA -0.217 3.902 4.120 -0.001 0.000 0.253 250 V C 1.566 177.590 176.094 -0.116 0.000 1.072 250 V CA 1.216 63.399 62.300 -0.195 0.000 1.084 250 V CB -1.223 30.429 31.823 -0.284 0.000 0.676 250 V HN 0.472 nan 8.190 nan 0.000 0.469 251 Y N 2.202 122.506 120.300 0.008 0.000 2.403 251 Y HA -0.075 4.475 4.550 -0.001 0.000 0.291 251 Y C 3.072 178.983 175.900 0.018 0.000 1.143 251 Y CA 1.017 59.127 58.100 0.016 0.000 1.257 251 Y CB -1.068 37.404 38.460 0.020 0.000 0.984 251 Y HN 0.528 nan 8.280 nan 0.000 0.550 252 S N -0.871 114.914 115.700 0.141 0.000 2.419 252 S HA -0.115 4.355 4.470 -0.001 0.000 0.233 252 S C 1.767 176.414 174.600 0.079 0.000 1.016 252 S CA 1.589 59.843 58.200 0.091 0.000 0.974 252 S CB -0.692 62.541 63.200 0.054 0.000 0.786 252 S HN 0.166 nan 8.310 nan 0.000 0.492 253 V N 0.918 120.875 119.914 0.073 0.000 2.690 253 V HA 0.265 4.385 4.120 -0.001 0.000 0.240 253 V C 2.275 178.445 176.094 0.127 0.000 1.078 253 V CA 0.704 63.057 62.300 0.089 0.000 1.102 253 V CB -0.500 31.354 31.823 0.052 0.000 0.800 253 V HN 0.411 nan 8.190 nan 0.000 0.479 254 L N -0.015 121.282 121.223 0.123 0.000 2.478 254 L HA 0.159 4.498 4.340 -0.001 0.000 0.223 254 L C 1.040 177.997 176.870 0.146 0.000 1.140 254 L CA 0.414 55.341 54.840 0.145 0.000 0.842 254 L CB -0.260 41.876 42.059 0.128 0.000 0.953 254 L HN 0.388 nan 8.230 nan 0.000 0.452 255 R N 1.346 121.936 120.500 0.150 0.000 1.449 255 R HA -0.161 4.179 4.340 -0.001 0.000 0.409 255 R C -0.746 175.605 176.300 0.084 0.000 1.293 255 R CA 0.207 56.371 56.100 0.107 0.000 1.031 255 R CB -0.380 29.961 30.300 0.069 0.000 3.144 255 R HN 0.390 nan 8.270 nan 0.000 0.495 256 Q N 0.000 119.817 119.800 0.028 0.000 2.315 256 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 256 Q CA 0.000 55.714 55.803 -0.148 0.000 1.022 256 Q CB 0.000 28.505 28.738 -0.388 0.000 1.108 256 Q HN 0.000 nan 8.270 nan 0.000 0.481