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 1pzn_1_E DATA FIRST_RESID 96 DATA SEQUENCE TFXRADEYLK KRATIGRIST GSKSLDKLLG GGIETQAITE VFGEFGSGKT DATA SEQUENCE QLAHTLAVXV QLPPEEGGLN GSVIWIDTEN TFRPERIREI AQNRGLDPDE DATA SEQUENCE VLKHIYVARA FNSNHQXLLV QQAEDKIKEL LNTDRPVKLL IVDSLTSHFR DATA SEQUENCE SEYIGRGALA ERQQKLAKHL ADLHRLANLY DIAVFVTNQV QXXXXXXXXX DATA SEQUENCE XXXXXXGHIL AHSATLRVYL RKGKGGKRIA RLIDAPHLPE GEAVFSITEK DATA SEQUENCE GIED 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 96 T HA 0.000 nan 4.350 nan 0.000 0.228 96 T C 0.000 174.608 174.700 -0.153 0.000 1.109 96 T CA 0.000 62.095 62.100 -0.009 0.000 1.349 96 T CB 0.000 68.959 68.868 0.152 0.000 0.612 100 A N 2.297 125.168 122.820 0.084 0.000 1.971 100 A HA -0.322 3.998 4.320 0.000 0.000 0.222 100 A C 1.568 179.242 177.584 0.150 0.000 1.182 100 A CA 2.700 54.822 52.037 0.142 0.000 0.649 100 A CB -0.582 18.480 19.000 0.102 0.000 0.818 100 A HN 0.869 nan 8.150 nan 0.000 0.458 101 D N -0.715 119.739 120.400 0.090 0.000 2.097 101 D HA -0.233 4.407 4.640 0.000 0.000 0.195 101 D C 1.805 178.147 176.300 0.070 0.000 0.989 101 D CA 1.452 55.491 54.000 0.065 0.000 0.827 101 D CB -0.570 40.255 40.800 0.041 0.000 0.966 101 D HN 0.644 nan 8.370 nan 0.000 0.456 102 E N -1.418 118.831 120.200 0.083 0.000 2.347 102 E HA -0.199 4.151 4.350 0.000 0.000 0.196 102 E C 1.575 178.253 176.600 0.129 0.000 1.008 102 E CA 0.280 56.728 56.400 0.080 0.000 0.852 102 E CB -0.210 29.531 29.700 0.068 0.000 0.783 102 E HN 0.643 nan 8.360 nan 0.000 0.505 103 Y N 0.329 120.632 120.300 0.004 0.000 2.231 103 Y HA -0.075 4.475 4.550 0.000 0.000 0.294 103 Y C 2.175 178.076 175.900 0.001 0.000 1.120 103 Y CA 0.661 58.762 58.100 0.001 0.000 1.141 103 Y CB 0.048 38.512 38.460 0.008 0.000 1.022 103 Y HN 0.034 nan 8.280 nan 0.000 0.523 104 L N 0.762 121.978 121.223 -0.011 0.000 2.189 104 L HA -0.290 4.050 4.340 0.000 0.000 0.214 104 L C 2.193 179.009 176.870 -0.091 0.000 1.097 104 L CA 1.679 56.462 54.840 -0.094 0.000 0.764 104 L CB -0.263 41.786 42.059 -0.017 0.000 0.900 104 L HN 0.238 nan 8.230 nan 0.000 0.436 105 K N 0.463 120.840 120.400 -0.038 0.000 1.973 105 K HA -0.240 4.080 4.320 0.000 0.000 0.210 105 K C 2.077 178.646 176.600 -0.051 0.000 1.045 105 K CA 1.631 57.901 56.287 -0.028 0.000 0.937 105 K CB -0.207 32.295 32.500 0.005 0.000 0.721 105 K HN -0.066 nan 8.250 nan 0.000 0.438 106 K N 0.860 121.234 120.400 -0.042 0.000 2.015 106 K HA -0.125 4.195 4.320 0.000 0.000 0.216 106 K C 1.955 178.488 176.600 -0.112 0.000 1.052 106 K CA 1.886 58.144 56.287 -0.048 0.000 0.937 106 K CB -0.202 32.311 32.500 0.021 0.000 0.719 106 K HN 0.142 nan 8.250 nan 0.000 0.446 107 R N -0.396 119.963 120.500 -0.234 0.000 2.237 107 R HA -0.006 4.334 4.340 0.000 0.000 0.219 107 R C 2.179 178.393 176.300 -0.143 0.000 1.080 107 R CA 0.763 56.723 56.100 -0.234 0.000 0.995 107 R CB -0.284 29.785 30.300 -0.384 0.000 0.875 107 R HN 0.286 nan 8.270 nan 0.000 0.462 108 A N 1.097 123.849 122.820 -0.114 0.000 1.933 108 A HA -0.146 4.174 4.320 0.000 0.000 0.218 108 A C 2.112 179.661 177.584 -0.058 0.000 1.175 108 A CA 1.864 53.856 52.037 -0.074 0.000 0.628 108 A CB -0.655 18.313 19.000 -0.055 0.000 0.814 108 A HN 0.417 nan 8.150 nan 0.000 0.444 109 T N -1.798 112.724 114.554 -0.054 0.000 3.361 109 T HA 0.301 4.651 4.350 0.000 0.000 0.251 109 T C 0.410 175.085 174.700 -0.042 0.000 1.131 109 T CA -0.242 61.834 62.100 -0.040 0.000 1.001 109 T CB -0.896 67.955 68.868 -0.028 0.000 1.003 109 T HN 0.287 nan 8.240 nan 0.000 0.558 110 I N 2.705 123.242 120.570 -0.055 0.000 2.578 110 I HA 0.267 4.437 4.170 0.000 0.000 0.286 110 I C 1.379 177.469 176.117 -0.045 0.000 1.126 110 I CA -0.309 60.960 61.300 -0.052 0.000 1.380 110 I CB 0.122 38.080 38.000 -0.069 0.000 1.408 110 I HN 0.360 nan 8.210 nan 0.000 0.532 111 G N 6.372 115.150 108.800 -0.037 0.000 2.562 111 G HA2 0.544 4.504 3.960 0.000 0.000 0.275 111 G HA3 0.544 4.504 3.960 0.000 0.000 0.275 111 G C -0.480 174.394 174.900 -0.042 0.000 1.196 111 G CA -0.562 44.516 45.100 -0.037 0.000 0.908 111 G HN 0.598 nan 8.290 nan 0.000 0.524 112 R N -0.380 120.093 120.500 -0.044 0.000 2.533 112 R HA 0.309 4.649 4.340 0.000 0.000 0.288 112 R C -0.946 175.320 176.300 -0.057 0.000 1.039 112 R CA -0.746 55.324 56.100 -0.050 0.000 0.909 112 R CB 1.556 31.827 30.300 -0.048 0.000 1.195 112 R HN 0.282 nan 8.270 nan 0.000 0.438 113 I N 1.851 122.379 120.570 -0.070 0.000 2.385 113 I HA 0.230 4.400 4.170 0.000 0.000 0.294 113 I C 0.790 176.847 176.117 -0.100 0.000 0.988 113 I CA -0.324 60.924 61.300 -0.087 0.000 1.265 113 I CB 1.369 39.301 38.000 -0.113 0.000 1.388 113 I HN 0.488 nan 8.210 nan 0.000 0.480 114 S N 3.092 118.735 115.700 -0.094 0.000 2.584 114 S HA 0.207 4.677 4.470 0.000 0.000 0.273 114 S C 1.343 175.860 174.600 -0.137 0.000 1.311 114 S CA -0.001 58.139 58.200 -0.099 0.000 1.034 114 S CB 0.657 63.811 63.200 -0.077 0.000 0.939 114 S HN 0.798 nan 8.310 nan 0.000 0.513 115 T N 1.131 115.591 114.554 -0.156 0.000 3.067 115 T HA 0.305 4.655 4.350 0.000 0.000 0.261 115 T C 1.425 176.008 174.700 -0.194 0.000 1.110 115 T CA 0.742 62.713 62.100 -0.216 0.000 1.113 115 T CB -0.361 68.353 68.868 -0.257 0.000 0.917 115 T HN 1.633 nan 8.240 nan 0.000 0.499 116 G N 0.926 109.642 108.800 -0.139 0.000 2.179 116 G HA2 -0.142 3.818 3.960 0.000 0.000 0.220 116 G HA3 -0.142 3.818 3.960 0.000 0.000 0.220 116 G C 0.158 175.002 174.900 -0.094 0.000 0.990 116 G CA 0.122 45.158 45.100 -0.107 0.000 0.646 116 G HN 1.496 nan 8.290 nan 0.000 0.517 117 S N -0.381 115.252 115.700 -0.112 0.000 2.672 117 S HA 0.664 5.134 4.470 0.000 0.000 0.291 117 S C 1.018 175.592 174.600 -0.044 0.000 1.145 117 S CA 0.191 58.352 58.200 -0.065 0.000 1.013 117 S CB 2.061 65.220 63.200 -0.068 0.000 1.017 117 S HN 0.244 nan 8.310 nan 0.000 0.487 118 K N 2.034 122.422 120.400 -0.019 0.000 2.032 118 K HA -0.191 4.129 4.320 0.000 0.000 0.218 118 K C 2.267 178.864 176.600 -0.005 0.000 1.054 118 K CA 2.004 58.284 56.287 -0.013 0.000 0.941 118 K CB -0.731 31.767 32.500 -0.002 0.000 0.720 118 K HN 0.680 nan 8.250 nan 0.000 0.449 119 S N 1.271 116.981 115.700 0.016 0.000 2.389 119 S HA -0.219 4.251 4.470 0.000 0.000 0.229 119 S C 1.900 176.515 174.600 0.025 0.000 1.048 119 S CA 1.638 59.858 58.200 0.033 0.000 1.117 119 S CB -0.434 62.810 63.200 0.073 0.000 1.020 119 S HN 0.354 nan 8.310 nan 0.000 0.430 120 L N 0.583 121.815 121.223 0.015 0.000 2.191 120 L HA -0.152 4.188 4.340 0.000 0.000 0.212 120 L C 1.784 178.633 176.870 -0.036 0.000 1.103 120 L CA 1.868 56.699 54.840 -0.015 0.000 0.769 120 L CB -0.505 41.485 42.059 -0.114 0.000 0.908 120 L HN 0.395 nan 8.230 nan 0.000 0.438 121 D N -0.437 119.938 120.400 -0.043 0.000 2.149 121 D HA -0.156 4.484 4.640 0.000 0.000 0.201 121 D C 2.121 178.408 176.300 -0.021 0.000 0.972 121 D CA 0.947 54.922 54.000 -0.041 0.000 0.835 121 D CB 0.130 40.903 40.800 -0.046 0.000 0.966 121 D HN 0.210 nan 8.370 nan 0.000 0.476 122 K N 0.079 120.473 120.400 -0.010 0.000 2.032 122 K HA -0.137 4.183 4.320 0.000 0.000 0.209 122 K C 1.945 178.547 176.600 0.005 0.000 1.048 122 K CA 0.670 56.957 56.287 -0.001 0.000 0.927 122 K CB -0.277 32.227 32.500 0.006 0.000 0.712 122 K HN 0.062 nan 8.250 nan 0.000 0.441 123 L N 1.352 122.580 121.223 0.009 0.000 2.046 123 L HA -0.122 4.218 4.340 0.000 0.000 0.208 123 L C 1.644 178.521 176.870 0.011 0.000 1.077 123 L CA 1.647 56.496 54.840 0.015 0.000 0.747 123 L CB -0.267 41.805 42.059 0.022 0.000 0.896 123 L HN 0.135 nan 8.230 nan 0.000 0.432 124 L N -0.122 121.100 121.223 -0.001 0.000 2.645 124 L HA 0.230 4.570 4.340 0.000 0.000 0.235 124 L C 1.176 178.038 176.870 -0.013 0.000 1.150 124 L CA 0.315 55.151 54.840 -0.007 0.000 0.911 124 L CB -1.177 40.870 42.059 -0.020 0.000 1.077 124 L HN 0.488 nan 8.230 nan 0.000 0.438 125 G N 0.658 109.454 108.800 -0.006 0.000 2.371 125 G HA2 -0.146 3.814 3.960 0.000 0.000 0.299 125 G HA3 -0.146 3.814 3.960 0.000 0.000 0.299 125 G C 0.928 175.816 174.900 -0.020 0.000 1.014 125 G CA 0.479 45.575 45.100 -0.008 0.000 1.097 125 G HN 0.685 nan 8.290 nan 0.000 0.512 126 G N -2.110 106.675 108.800 -0.025 0.000 2.436 126 G HA2 0.492 4.452 3.960 0.000 0.000 0.204 126 G HA3 0.492 4.452 3.960 0.000 0.000 0.204 126 G C 1.452 176.325 174.900 -0.045 0.000 1.026 126 G CA 0.905 45.985 45.100 -0.033 0.000 0.658 126 G HN 2.933 nan 8.290 nan 0.000 0.499 127 G N -0.622 108.149 108.800 -0.048 0.000 2.368 127 G HA2 0.522 4.482 3.960 0.000 0.000 0.302 127 G HA3 0.522 4.482 3.960 0.000 0.000 0.302 127 G C -0.330 174.537 174.900 -0.054 0.000 1.329 127 G CA -0.116 44.946 45.100 -0.063 0.000 0.935 127 G HN 1.671 nan 8.290 nan 0.000 0.590 128 I N -1.158 119.375 120.570 -0.062 0.000 2.588 128 I HA 0.592 4.762 4.170 0.000 0.000 0.283 128 I C 0.387 176.480 176.117 -0.039 0.000 1.119 128 I CA -0.569 60.713 61.300 -0.030 0.000 1.419 128 I CB 0.822 38.819 38.000 -0.006 0.000 1.394 128 I HN 0.651 nan 8.210 nan 0.000 0.562 129 E N 3.958 124.139 120.200 -0.030 0.000 2.250 129 E HA 0.438 4.788 4.350 0.000 0.000 0.265 129 E C -0.134 176.449 176.600 -0.028 0.000 1.033 129 E CA -0.944 55.433 56.400 -0.038 0.000 0.888 129 E CB 0.874 30.543 29.700 -0.052 0.000 1.151 129 E HN 0.760 nan 8.360 nan 0.000 0.412 130 T N -1.507 113.030 114.554 -0.030 0.000 2.788 130 T HA 0.112 4.462 4.350 0.000 0.000 0.280 130 T C 0.461 175.154 174.700 -0.011 0.000 0.984 130 T CA -0.580 61.509 62.100 -0.018 0.000 0.972 130 T CB 0.752 69.611 68.868 -0.016 0.000 1.039 130 T HN 0.700 nan 8.240 nan 0.000 0.530 131 Q N -1.380 118.423 119.800 0.005 0.000 2.481 131 Q HA -0.184 4.156 4.340 0.000 0.000 0.258 131 Q C -0.105 175.917 176.000 0.037 0.000 0.961 131 Q CA 0.748 56.565 55.803 0.022 0.000 1.121 131 Q CB -2.073 26.671 28.738 0.009 0.000 1.503 131 Q HN 1.117 nan 8.270 nan 0.000 0.544 132 A N -0.256 122.576 122.820 0.020 0.000 2.587 132 A HA 0.772 5.092 4.320 0.000 0.000 0.293 132 A C -1.279 176.288 177.584 -0.029 0.000 1.087 132 A CA -0.705 51.347 52.037 0.026 0.000 0.692 132 A CB 1.291 20.299 19.000 0.012 0.000 1.291 132 A HN 0.095 nan 8.150 nan 0.000 0.407 133 I N 1.326 121.856 120.570 -0.066 0.000 2.339 133 I HA 0.449 4.619 4.170 0.000 0.000 0.290 133 I C 0.075 176.141 176.117 -0.085 0.000 0.994 133 I CA 0.294 61.500 61.300 -0.157 0.000 1.191 133 I CB 1.714 39.501 38.000 -0.354 0.000 1.343 133 I HN 0.533 nan 8.210 nan 0.000 0.458 134 T N 6.054 120.569 114.554 -0.065 0.000 2.758 134 T HA 0.336 4.686 4.350 0.000 0.000 0.285 134 T C -0.295 174.288 174.700 -0.194 0.000 0.981 134 T CA -0.619 61.458 62.100 -0.039 0.000 0.965 134 T CB 0.960 69.888 68.868 0.101 0.000 0.927 134 T HN 0.533 nan 8.240 nan 0.000 0.448 135 E N 2.822 122.929 120.200 -0.154 0.000 2.166 135 E HA 0.551 4.901 4.350 0.000 0.000 0.275 135 E C -1.337 175.172 176.600 -0.152 0.000 0.941 135 E CA -0.706 55.572 56.400 -0.204 0.000 0.784 135 E CB 1.589 31.247 29.700 -0.071 0.000 1.115 135 E HN 0.375 nan 8.360 nan 0.000 0.399 136 V N 6.661 126.404 119.914 -0.285 0.000 2.495 136 V HA 0.666 4.786 4.120 0.000 0.000 0.298 136 V C -1.399 174.665 176.094 -0.050 0.000 1.031 136 V CA -0.483 61.702 62.300 -0.192 0.000 0.871 136 V CB 0.902 32.607 31.823 -0.197 0.000 0.988 136 V HN 0.601 nan 8.190 nan 0.000 0.432 137 F N 4.259 124.209 119.950 -0.001 0.000 2.601 137 F HA 1.054 5.581 4.527 0.000 0.000 0.309 137 F C -0.200 175.691 175.800 0.151 0.000 1.089 137 F CA -0.345 57.676 58.000 0.034 0.000 0.940 137 F CB 1.720 40.721 39.000 0.002 0.000 1.273 137 F HN 0.895 nan 8.300 nan 0.000 0.450 138 G N 1.174 110.171 108.800 0.329 0.000 2.322 138 G HA2 0.347 4.307 3.960 0.000 0.000 0.295 138 G HA3 0.347 4.307 3.960 0.000 0.000 0.295 138 G C -1.864 173.173 174.900 0.229 0.000 1.369 138 G CA -1.056 44.222 45.100 0.297 0.000 0.821 138 G HN 0.852 nan 8.290 nan 0.000 0.536 139 E N -0.725 119.606 120.200 0.217 0.000 2.428 139 E HA 0.248 4.598 4.350 0.000 0.000 0.257 139 E C -0.299 176.428 176.600 0.212 0.000 1.197 139 E CA -0.282 56.245 56.400 0.212 0.000 0.974 139 E CB 0.887 30.706 29.700 0.198 0.000 0.976 139 E HN 0.374 nan 8.360 nan 0.000 0.463 140 F N 0.455 120.464 119.950 0.099 0.000 2.572 140 F HA 0.212 4.739 4.527 0.000 0.000 0.370 140 F C 1.294 177.140 175.800 0.077 0.000 1.103 140 F CA 1.354 59.409 58.000 0.091 0.000 1.286 140 F CB 0.226 39.278 39.000 0.087 0.000 1.105 140 F HN 0.573 nan 8.300 nan 0.000 0.583 141 G N 2.931 111.498 108.800 -0.389 0.000 2.176 141 G HA2 -0.325 3.635 3.960 0.000 0.000 0.253 141 G HA3 -0.325 3.635 3.960 0.000 0.000 0.253 141 G C 0.895 175.770 174.900 -0.042 0.000 0.979 141 G CA 0.560 45.563 45.100 -0.162 0.000 0.641 141 G HN 1.317 nan 8.290 nan 0.000 0.530 142 S N 0.002 115.686 115.700 -0.025 0.000 2.660 142 S HA 0.388 4.858 4.470 0.000 0.000 0.228 142 S C 2.116 176.725 174.600 0.014 0.000 0.966 142 S CA 1.177 59.370 58.200 -0.012 0.000 0.940 142 S CB -0.019 63.176 63.200 -0.008 0.000 0.773 142 S HN 2.333 nan 8.310 nan 0.000 0.535 143 G N 2.553 111.360 108.800 0.013 0.000 2.143 143 G HA2 -0.357 3.603 3.960 0.000 0.000 0.248 143 G HA3 -0.357 3.603 3.960 0.000 0.000 0.248 143 G C 0.662 175.636 174.900 0.122 0.000 0.991 143 G CA 0.467 45.617 45.100 0.082 0.000 0.689 143 G HN 0.735 nan 8.290 nan 0.000 0.522 144 K N -1.130 119.323 120.400 0.087 0.000 2.288 144 K HA 0.049 4.369 4.320 0.000 0.000 0.201 144 K C 1.872 178.581 176.600 0.182 0.000 1.048 144 K CA 1.538 57.903 56.287 0.130 0.000 0.956 144 K CB -0.213 32.329 32.500 0.071 0.000 0.746 144 K HN 0.222 nan 8.250 nan 0.000 0.461 145 T N 1.137 115.788 114.554 0.161 0.000 3.043 145 T HA 0.002 4.352 4.350 0.000 0.000 0.263 145 T C 1.649 176.589 174.700 0.399 0.000 1.094 145 T CA 0.553 62.815 62.100 0.269 0.000 1.127 145 T CB 0.112 69.134 68.868 0.256 0.000 0.905 145 T HN 0.208 nan 8.240 nan 0.000 0.490 146 Q N 0.902 120.859 119.800 0.262 0.000 2.049 146 Q HA 0.148 4.488 4.340 0.000 0.000 0.198 146 Q C 2.356 178.463 176.000 0.179 0.000 0.971 146 Q CA 0.758 56.703 55.803 0.237 0.000 0.833 146 Q CB -0.705 28.113 28.738 0.133 0.000 0.896 146 Q HN 0.430 nan 8.270 nan 0.000 0.434 147 L N 0.463 121.744 121.223 0.097 0.000 2.079 147 L HA -0.218 4.122 4.340 0.000 0.000 0.210 147 L C 2.169 178.952 176.870 -0.146 0.000 1.081 147 L CA 1.325 56.131 54.840 -0.057 0.000 0.752 147 L CB -0.333 41.718 42.059 -0.013 0.000 0.896 147 L HN 0.162 nan 8.230 nan 0.000 0.433 148 A N -0.851 121.975 122.820 0.010 0.000 1.877 148 A HA -0.282 4.038 4.320 0.000 0.000 0.216 148 A C 1.844 179.413 177.584 -0.025 0.000 1.186 148 A CA 1.850 53.793 52.037 -0.156 0.000 0.620 148 A CB -0.932 18.014 19.000 -0.091 0.000 0.822 148 A HN 0.574 nan 8.150 nan 0.000 0.443 149 H N -0.539 118.720 119.070 0.316 0.000 2.319 149 H HA -0.088 4.468 4.556 0.000 0.000 0.299 149 H C 2.412 177.834 175.328 0.156 0.000 1.092 149 H CA 2.190 58.467 56.048 0.381 0.000 1.302 149 H CB -0.361 29.558 29.762 0.261 0.000 1.373 149 H HN 0.459 nan 8.280 nan 0.000 0.497 150 T N 0.892 115.538 114.554 0.152 0.000 2.622 150 T HA -0.157 4.193 4.350 0.000 0.000 0.266 150 T C 1.912 176.592 174.700 -0.034 0.000 1.047 150 T CA 1.223 63.340 62.100 0.028 0.000 1.159 150 T CB -0.381 68.455 68.868 -0.053 0.000 0.863 150 T HN 0.044 nan 8.240 nan 0.000 0.422 151 L N 1.304 122.439 121.223 -0.147 0.000 2.129 151 L HA -0.059 4.281 4.340 0.000 0.000 0.212 151 L C 2.708 179.520 176.870 -0.097 0.000 1.087 151 L CA 1.458 56.170 54.840 -0.214 0.000 0.757 151 L CB -1.373 40.408 42.059 -0.463 0.000 0.896 151 L HN 0.300 nan 8.230 nan 0.000 0.434 152 A N -1.739 121.088 122.820 0.011 0.000 2.172 152 A HA 0.069 4.389 4.320 0.000 0.000 0.216 152 A C 1.279 178.930 177.584 0.112 0.000 1.154 152 A CA 0.466 52.576 52.037 0.121 0.000 0.701 152 A CB -0.340 18.876 19.000 0.360 0.000 0.789 152 A HN 0.143 nan 8.150 nan 0.000 0.465 156 Q N 0.880 120.671 119.800 -0.015 0.000 2.245 156 Q HA 0.116 4.456 4.340 0.000 0.000 0.201 156 Q C 0.700 176.676 176.000 -0.039 0.000 0.955 156 Q CA 1.302 57.090 55.803 -0.025 0.000 0.870 156 Q CB 0.113 28.855 28.738 0.007 0.000 0.945 156 Q HN 0.739 nan 8.270 nan 0.000 0.461 157 L N -1.735 119.470 121.223 -0.029 0.000 2.468 157 L HA 0.469 4.809 4.340 0.000 0.000 0.254 157 L C -2.532 174.317 176.870 -0.034 0.000 1.171 157 L CA -2.537 52.285 54.840 -0.030 0.000 0.809 157 L CB -0.869 41.177 42.059 -0.022 0.000 1.155 157 L HN -0.301 nan 8.230 nan 0.000 0.473 158 P HA 0.093 nan 4.420 nan 0.000 0.268 158 P C -2.110 175.173 177.300 -0.029 0.000 1.208 158 P CA -0.702 62.380 63.100 -0.029 0.000 0.777 158 P CB -0.112 31.574 31.700 -0.024 0.000 0.875 159 P HA -0.227 nan 4.420 nan 0.000 0.216 159 P C 1.041 178.326 177.300 -0.026 0.000 1.153 159 P CA 1.727 64.810 63.100 -0.028 0.000 0.858 159 P CB -0.107 31.578 31.700 -0.025 0.000 0.789 160 E N -0.275 119.912 120.200 -0.022 0.000 2.077 160 E HA -0.178 4.172 4.350 0.000 0.000 0.193 160 E C 1.753 178.340 176.600 -0.021 0.000 0.989 160 E CA 1.021 57.409 56.400 -0.020 0.000 0.800 160 E CB -0.917 28.773 29.700 -0.017 0.000 0.746 160 E HN 0.371 nan 8.360 nan 0.000 0.452 161 E N -0.468 119.718 120.200 -0.023 0.000 2.482 161 E HA 0.017 4.367 4.350 0.000 0.000 0.196 161 E C 0.951 177.534 176.600 -0.029 0.000 1.047 161 E CA 0.775 57.161 56.400 -0.024 0.000 0.869 161 E CB 0.364 30.051 29.700 -0.022 0.000 0.836 161 E HN 0.409 nan 8.360 nan 0.000 0.520 162 G N 0.647 109.428 108.800 -0.032 0.000 2.144 162 G HA2 -0.195 3.765 3.960 0.000 0.000 0.218 162 G HA3 -0.195 3.765 3.960 0.000 0.000 0.218 162 G C 0.509 175.382 174.900 -0.045 0.000 0.988 162 G CA -0.039 45.038 45.100 -0.039 0.000 0.659 162 G HN 0.560 nan 8.290 nan 0.000 0.522 163 G N -1.205 107.571 108.800 -0.041 0.000 2.990 163 G HA2 0.730 4.690 3.960 0.000 0.000 0.208 163 G HA3 0.730 4.690 3.960 0.000 0.000 0.208 163 G C 0.358 175.234 174.900 -0.040 0.000 1.334 163 G CA -0.483 44.591 45.100 -0.043 0.000 1.024 163 G HN 0.749 nan 8.290 nan 0.000 0.574 164 L N -0.186 121.013 121.223 -0.040 0.000 3.524 164 L HA 0.270 4.610 4.340 0.000 0.000 0.337 164 L C -0.125 176.721 176.870 -0.039 0.000 1.330 164 L CA -0.445 54.373 54.840 -0.036 0.000 0.966 164 L CB 0.291 42.329 42.059 -0.035 0.000 1.395 164 L HN 0.420 nan 8.230 nan 0.000 0.616 165 N N 2.117 120.789 118.700 -0.046 0.000 2.686 165 N HA -0.153 4.587 4.740 0.000 0.000 0.261 165 N C 0.123 175.593 175.510 -0.067 0.000 1.001 165 N CA 1.183 54.196 53.050 -0.063 0.000 0.764 165 N CB -0.548 37.906 38.487 -0.056 0.000 0.898 165 N HN 0.639 nan 8.380 nan 0.000 0.544 166 G N -1.297 107.470 108.800 -0.056 0.000 2.658 166 G HA2 0.648 4.608 3.960 0.000 0.000 0.292 166 G HA3 0.648 4.608 3.960 0.000 0.000 0.292 166 G C -0.383 174.515 174.900 -0.004 0.000 1.320 166 G CA -0.325 44.753 45.100 -0.036 0.000 0.933 166 G HN 0.121 nan 8.290 nan 0.000 0.476 167 S N -1.824 113.901 115.700 0.041 0.000 2.681 167 S HA 0.695 5.165 4.470 0.000 0.000 0.270 167 S C -0.286 174.383 174.600 0.115 0.000 1.209 167 S CA -0.422 57.867 58.200 0.148 0.000 0.988 167 S CB 1.589 64.901 63.200 0.186 0.000 1.006 167 S HN 0.525 nan 8.310 nan 0.000 0.558 168 V N 1.827 121.857 119.914 0.194 0.000 2.709 168 V HA 0.455 4.575 4.120 0.000 0.000 0.308 168 V C -1.048 175.150 176.094 0.172 0.000 1.062 168 V CA -0.652 61.731 62.300 0.139 0.000 0.901 168 V CB 1.813 33.731 31.823 0.157 0.000 1.003 168 V HN 0.643 nan 8.190 nan 0.000 0.425 169 I N 3.675 124.284 120.570 0.066 0.000 2.362 169 I HA 0.379 4.549 4.170 0.000 0.000 0.289 169 I C -0.976 175.169 176.117 0.046 0.000 0.994 169 I CA -0.410 60.920 61.300 0.051 0.000 1.158 169 I CB 1.689 39.667 38.000 -0.038 0.000 1.315 169 I HN 0.744 nan 8.210 nan 0.000 0.451 170 W N 8.326 129.523 121.300 -0.172 0.000 2.424 170 W HA 0.412 5.072 4.660 0.000 0.000 0.318 170 W C -1.356 175.025 176.519 -0.230 0.000 1.016 170 W CA -0.906 56.285 57.345 -0.257 0.000 1.268 170 W CB 1.401 30.552 29.460 -0.515 0.000 1.297 170 W HN 0.166 nan 8.180 nan 0.000 0.428 171 I N 5.331 125.950 120.570 0.082 0.000 2.301 171 I HA 0.048 4.218 4.170 0.000 0.000 0.292 171 I C -0.003 176.214 176.117 0.168 0.000 1.046 171 I CA -0.304 61.031 61.300 0.059 0.000 1.282 171 I CB 0.560 38.546 38.000 -0.023 0.000 1.409 171 I HN 0.296 nan 8.210 nan 0.000 0.484 172 D N 4.252 124.763 120.400 0.184 0.000 2.303 172 D HA 0.296 4.936 4.640 0.000 0.000 0.236 172 D C 1.020 177.348 176.300 0.046 0.000 1.068 172 D CA -0.229 53.897 54.000 0.210 0.000 0.830 172 D CB 1.411 42.328 40.800 0.194 0.000 1.109 172 D HN 0.643 nan 8.370 nan 0.000 0.496 173 T N 0.146 114.713 114.554 0.021 0.000 2.990 173 T HA 0.135 4.485 4.350 0.000 0.000 0.249 173 T C 0.799 175.502 174.700 0.005 0.000 1.039 173 T CA 0.056 62.097 62.100 -0.098 0.000 1.036 173 T CB 0.036 68.669 68.868 -0.392 0.000 0.994 173 T HN 0.374 nan 8.240 nan 0.000 0.489 174 E N 1.332 121.583 120.200 0.086 0.000 2.499 174 E HA 0.252 4.602 4.350 0.000 0.000 0.199 174 E C -0.073 176.635 176.600 0.181 0.000 1.016 174 E CA -0.443 56.045 56.400 0.147 0.000 0.933 174 E CB 0.017 29.806 29.700 0.149 0.000 1.050 174 E HN 0.450 nan 8.360 nan 0.000 0.462 175 N N 1.329 120.139 118.700 0.183 0.000 2.727 175 N HA -0.177 4.563 4.740 0.000 0.000 0.249 175 N C 0.266 175.878 175.510 0.169 0.000 1.048 175 N CA 1.253 54.410 53.050 0.177 0.000 0.714 175 N CB -1.041 37.554 38.487 0.180 0.000 0.959 175 N HN 0.302 nan 8.380 nan 0.000 0.544 176 T N -3.661 111.017 114.554 0.207 0.000 3.085 176 T HA 0.186 4.536 4.350 0.000 0.000 0.264 176 T C 0.154 175.017 174.700 0.271 0.000 1.019 176 T CA -0.494 61.738 62.100 0.220 0.000 0.910 176 T CB -0.242 68.773 68.868 0.245 0.000 1.059 176 T HN 0.294 nan 8.240 nan 0.000 0.542 177 F N 3.869 123.816 119.950 -0.006 0.000 2.438 177 F HA 0.561 5.088 4.527 0.000 0.000 0.360 177 F C -0.119 175.610 175.800 -0.118 0.000 1.118 177 F CA -1.693 56.154 58.000 -0.255 0.000 1.164 177 F CB 0.486 38.996 39.000 -0.817 0.000 1.131 177 F HN -0.158 nan 8.300 nan 0.000 0.527 178 R N 8.799 128.989 120.500 -0.517 0.000 2.287 178 R HA 0.236 4.576 4.340 0.000 0.000 0.316 178 R C -1.927 173.865 176.300 -0.847 0.000 1.050 178 R CA -2.178 53.547 56.100 -0.624 0.000 0.983 178 R CB 0.682 30.758 30.300 -0.374 0.000 1.140 178 R HN 0.426 nan 8.270 nan 0.000 0.528 179 P HA -0.159 nan 4.420 nan 0.000 0.219 179 P C 0.232 177.337 177.300 -0.326 0.000 1.146 179 P CA 1.171 63.884 63.100 -0.645 0.000 0.808 179 P CB 0.608 32.060 31.700 -0.413 0.000 0.779 180 E N 0.178 120.204 120.200 -0.291 0.000 2.077 180 E HA -0.191 4.159 4.350 0.000 0.000 0.193 180 E C 2.246 178.737 176.600 -0.182 0.000 0.989 180 E CA 1.105 57.391 56.400 -0.190 0.000 0.800 180 E CB -0.786 28.816 29.700 -0.163 0.000 0.746 180 E HN 0.099 nan 8.360 nan 0.000 0.452 181 R N 0.768 121.117 120.500 -0.252 0.000 2.096 181 R HA -0.059 4.281 4.340 0.000 0.000 0.235 181 R C 1.902 178.123 176.300 -0.131 0.000 1.127 181 R CA 1.058 57.015 56.100 -0.238 0.000 0.968 181 R CB -0.401 29.631 30.300 -0.448 0.000 0.861 181 R HN 0.147 nan 8.270 nan 0.000 0.440 182 I N 0.631 121.150 120.570 -0.086 0.000 2.179 182 I HA -0.256 3.914 4.170 0.000 0.000 0.242 182 I C 2.226 178.342 176.117 -0.001 0.000 1.088 182 I CA 1.492 62.811 61.300 0.032 0.000 1.357 182 I CB -0.860 37.188 38.000 0.081 0.000 1.051 182 I HN 0.270 nan 8.210 nan 0.000 0.409 183 R N 0.467 120.943 120.500 -0.039 0.000 2.112 183 R HA -0.261 4.079 4.340 0.000 0.000 0.242 183 R C 2.257 178.541 176.300 -0.028 0.000 1.137 183 R CA 2.137 58.218 56.100 -0.033 0.000 0.944 183 R CB -0.418 29.851 30.300 -0.052 0.000 0.857 183 R HN 0.456 nan 8.270 nan 0.000 0.435 184 E N 0.739 120.913 120.200 -0.043 0.000 2.023 184 E HA -0.219 4.131 4.350 0.000 0.000 0.196 184 E C 1.993 178.581 176.600 -0.020 0.000 1.003 184 E CA 1.512 57.890 56.400 -0.036 0.000 0.809 184 E CB -0.106 29.564 29.700 -0.050 0.000 0.755 184 E HN 0.298 nan 8.360 nan 0.000 0.449 185 I N 0.870 121.431 120.570 -0.014 0.000 2.264 185 I HA -0.283 3.887 4.170 0.000 0.000 0.248 185 I C 2.514 178.636 176.117 0.008 0.000 1.111 185 I CA 1.057 62.359 61.300 0.002 0.000 1.382 185 I CB -0.288 37.726 38.000 0.024 0.000 1.060 185 I HN 0.225 nan 8.210 nan 0.000 0.418 186 A N 0.683 123.511 122.820 0.013 0.000 1.874 186 A HA -0.214 4.106 4.320 0.000 0.000 0.214 186 A C 2.273 179.862 177.584 0.007 0.000 1.189 186 A CA 1.333 53.380 52.037 0.017 0.000 0.615 186 A CB -0.660 18.356 19.000 0.028 0.000 0.830 186 A HN 0.597 nan 8.150 nan 0.000 0.443 187 Q N -0.900 118.900 119.800 0.001 0.000 2.515 187 Q HA 0.016 4.356 4.340 0.000 0.000 0.212 187 Q C 0.408 176.405 176.000 -0.004 0.000 0.970 187 Q CA 0.918 56.719 55.803 -0.003 0.000 0.941 187 Q CB -0.201 28.532 28.738 -0.008 0.000 0.998 187 Q HN 0.502 nan 8.270 nan 0.000 0.518 188 N N 0.546 119.243 118.700 -0.004 0.000 2.234 188 N HA 0.158 4.898 4.740 0.000 0.000 0.227 188 N C -0.407 175.101 175.510 -0.004 0.000 1.151 188 N CA 0.029 53.076 53.050 -0.005 0.000 0.865 188 N CB 0.624 39.107 38.487 -0.007 0.000 1.066 188 N HN 0.242 nan 8.380 nan 0.000 0.515 189 R N -0.697 119.802 120.500 -0.002 0.000 2.569 189 R HA 0.150 4.490 4.340 0.000 0.000 0.429 189 R C 0.116 176.415 176.300 -0.003 0.000 0.994 189 R CA -0.073 56.025 56.100 -0.003 0.000 1.089 189 R CB 0.615 30.913 30.300 -0.004 0.000 1.420 189 R HN 0.070 nan 8.270 nan 0.000 0.615 190 G N 1.782 110.581 108.800 -0.002 0.000 2.314 190 G HA2 -0.276 3.684 3.960 0.000 0.000 0.292 190 G HA3 -0.276 3.684 3.960 0.000 0.000 0.292 190 G C -0.240 174.660 174.900 0.001 0.000 1.059 190 G CA 0.312 45.412 45.100 -0.001 0.000 0.982 190 G HN 0.248 nan 8.290 nan 0.000 0.505 191 L N -0.279 120.947 121.223 0.005 0.000 2.455 191 L HA 0.386 4.726 4.340 0.000 0.000 0.264 191 L C -0.229 176.649 176.870 0.014 0.000 0.968 191 L CA -1.099 53.748 54.840 0.012 0.000 0.827 191 L CB 1.993 44.062 42.059 0.016 0.000 1.317 191 L HN 0.235 nan 8.230 nan 0.000 0.407 192 D N 5.025 125.437 120.400 0.020 0.000 2.401 192 D HA 0.048 4.688 4.640 0.000 0.000 0.254 192 D C -1.608 174.704 176.300 0.020 0.000 1.192 192 D CA -1.186 52.825 54.000 0.018 0.000 0.885 192 D CB 1.744 42.558 40.800 0.023 0.000 1.147 192 D HN 0.281 nan 8.370 nan 0.000 0.478 193 P HA -0.172 nan 4.420 nan 0.000 0.215 193 P C 0.547 177.848 177.300 0.002 0.000 1.157 193 P CA 1.174 64.277 63.100 0.004 0.000 0.874 193 P CB 0.338 32.033 31.700 -0.008 0.000 0.790 194 D N -0.687 119.711 120.400 -0.004 0.000 2.347 194 D HA -0.073 4.567 4.640 0.000 0.000 0.215 194 D C 1.886 178.180 176.300 -0.011 0.000 0.976 194 D CA 0.620 54.612 54.000 -0.014 0.000 0.884 194 D CB -0.070 40.719 40.800 -0.018 0.000 0.915 194 D HN 0.292 nan 8.370 nan 0.000 0.526 195 E N 0.412 120.623 120.200 0.018 0.000 2.166 195 E HA -0.012 4.338 4.350 0.000 0.000 0.192 195 E C 2.369 179.032 176.600 0.105 0.000 0.967 195 E CA 0.077 56.506 56.400 0.048 0.000 0.840 195 E CB 0.216 29.967 29.700 0.085 0.000 0.795 195 E HN 0.065 nan 8.360 nan 0.000 0.470 196 V N 2.003 121.980 119.914 0.104 0.000 2.332 196 V HA -0.239 3.881 4.120 0.000 0.000 0.248 196 V C 2.395 178.545 176.094 0.094 0.000 1.055 196 V CA 1.341 63.725 62.300 0.139 0.000 1.038 196 V CB -0.464 31.415 31.823 0.092 0.000 0.651 196 V HN 0.276 nan 8.190 nan 0.000 0.450 197 L N -0.478 120.759 121.223 0.023 0.000 2.549 197 L HA -0.133 4.207 4.340 0.000 0.000 0.230 197 L C 1.972 178.753 176.870 -0.149 0.000 1.162 197 L CA 1.206 56.031 54.840 -0.025 0.000 0.834 197 L CB -0.614 41.424 42.059 -0.035 0.000 0.947 197 L HN 0.369 nan 8.230 nan 0.000 0.452 198 K N -1.125 119.141 120.400 -0.223 0.000 2.374 198 K HA 0.087 4.407 4.320 0.000 0.000 0.196 198 K C 0.484 176.657 176.600 -0.711 0.000 1.023 198 K CA 0.162 56.175 56.287 -0.456 0.000 1.103 198 K CB 0.360 32.592 32.500 -0.448 0.000 0.848 198 K HN 0.348 nan 8.250 nan 0.000 0.528 199 H N -0.206 118.833 119.070 -0.052 0.000 2.575 199 H HA 0.308 4.864 4.556 0.000 0.000 0.256 199 H C -0.483 174.933 175.328 0.148 0.000 1.162 199 H CA -0.103 56.006 56.048 0.102 0.000 0.969 199 H CB 0.615 30.440 29.762 0.105 0.000 1.796 199 H HN -0.004 nan 8.280 nan 0.000 0.607 200 I N 1.224 121.789 120.570 -0.008 0.000 2.499 200 I HA 0.206 4.376 4.170 0.000 0.000 0.288 200 I C -1.220 174.803 176.117 -0.156 0.000 1.048 200 I CA -0.857 60.492 61.300 0.081 0.000 1.062 200 I CB 1.927 39.987 38.000 0.099 0.000 1.238 200 I HN -0.073 nan 8.210 nan 0.000 0.426 201 Y N 5.551 125.835 120.300 -0.028 0.000 2.326 201 Y HA 0.524 5.074 4.550 0.000 0.000 0.331 201 Y C 0.065 175.905 175.900 -0.099 0.000 0.962 201 Y CA -1.104 56.965 58.100 -0.052 0.000 1.167 201 Y CB 1.605 40.045 38.460 -0.033 0.000 1.148 201 Y HN 0.230 nan 8.280 nan 0.000 0.463 202 V N 0.002 119.883 119.914 -0.056 0.000 2.975 202 V HA 1.039 5.159 4.120 0.000 0.000 0.318 202 V C -0.192 175.872 176.094 -0.051 0.000 1.077 202 V CA -1.266 60.947 62.300 -0.146 0.000 1.000 202 V CB 1.661 33.250 31.823 -0.390 0.000 1.066 202 V HN 0.857 nan 8.190 nan 0.000 0.452 203 A N 1.765 124.546 122.820 -0.065 0.000 2.491 203 A HA 0.727 5.047 4.320 0.000 0.000 0.293 203 A C -0.635 176.859 177.584 -0.150 0.000 1.047 203 A CA -0.842 51.141 52.037 -0.090 0.000 0.735 203 A CB 1.561 20.500 19.000 -0.102 0.000 1.281 203 A HN 0.695 nan 8.150 nan 0.000 0.398 204 R N 1.221 121.590 120.500 -0.218 0.000 2.265 204 R HA 0.558 4.898 4.340 0.000 0.000 0.314 204 R C 0.016 175.902 176.300 -0.688 0.000 1.053 204 R CA 0.023 55.913 56.100 -0.351 0.000 0.931 204 R CB 1.408 31.514 30.300 -0.324 0.000 1.024 204 R HN 0.868 nan 8.270 nan 0.000 0.457 205 A N 4.011 126.539 122.820 -0.487 0.000 2.249 205 A HA 0.399 4.719 4.320 0.000 0.000 0.314 205 A C 0.330 177.940 177.584 0.044 0.000 1.290 205 A CA -0.577 51.207 52.037 -0.422 0.000 0.893 205 A CB 0.027 18.898 19.000 -0.216 0.000 1.165 205 A HN 0.809 nan 8.150 nan 0.000 0.530 206 F N 1.565 121.869 119.950 0.589 0.000 2.789 206 F HA 0.096 4.623 4.527 0.000 0.000 0.300 206 F C 1.012 176.771 175.800 -0.068 0.000 1.132 206 F CA 0.423 58.605 58.000 0.302 0.000 1.404 206 F CB 0.199 39.295 39.000 0.161 0.000 1.114 206 F HN 0.791 nan 8.300 nan 0.000 0.584 207 N N -3.197 115.531 118.700 0.047 0.000 3.356 207 N HA 0.071 4.811 4.740 0.000 0.000 0.246 207 N C 0.035 175.540 175.510 -0.008 0.000 1.480 207 N CA -0.269 52.506 53.050 -0.457 0.000 0.877 207 N CB 0.477 38.811 38.487 -0.255 0.000 1.431 207 N HN -0.307 nan 8.380 nan 0.000 0.500 208 S N -0.213 115.370 115.700 -0.194 0.000 2.359 208 S HA -0.149 4.321 4.470 0.000 0.000 0.223 208 S C 1.230 175.718 174.600 -0.187 0.000 1.039 208 S CA 1.436 59.402 58.200 -0.391 0.000 1.042 208 S CB -0.694 62.125 63.200 -0.635 0.000 0.915 208 S HN 0.608 nan 8.310 nan 0.000 0.439 209 N N 0.632 119.294 118.700 -0.064 0.000 2.120 209 N HA -0.134 4.606 4.740 0.000 0.000 0.188 209 N C 1.584 177.143 175.510 0.082 0.000 1.024 209 N CA 1.149 54.209 53.050 0.017 0.000 0.852 209 N CB -0.703 37.800 38.487 0.026 0.000 1.003 209 N HN 0.637 nan 8.380 nan 0.000 0.424 210 H N 0.677 119.733 119.070 -0.023 0.000 2.290 210 H HA -0.076 4.480 4.556 0.000 0.000 0.298 210 H C 1.198 176.519 175.328 -0.013 0.000 1.087 210 H CA 0.841 56.889 56.048 -0.001 0.000 1.291 210 H CB 0.220 29.994 29.762 0.020 0.000 1.369 210 H HN 0.266 nan 8.280 nan 0.000 0.492 214 L N 0.259 121.495 121.223 0.023 0.000 2.044 214 L HA -0.075 4.265 4.340 0.000 0.000 0.205 214 L C 2.465 179.344 176.870 0.014 0.000 1.075 214 L CA 1.408 56.232 54.840 -0.027 0.000 0.747 214 L CB -0.268 41.701 42.059 -0.150 0.000 0.903 214 L HN 0.094 nan 8.230 nan 0.000 0.435 215 V N -0.465 119.493 119.914 0.073 0.000 2.490 215 V HA -0.300 3.820 4.120 0.000 0.000 0.250 215 V C 2.465 178.589 176.094 0.051 0.000 1.061 215 V CA 1.554 63.896 62.300 0.071 0.000 1.064 215 V CB -0.515 31.392 31.823 0.140 0.000 0.670 215 V HN 0.501 nan 8.190 nan 0.000 0.461 216 Q N -0.519 119.324 119.800 0.073 0.000 2.124 216 Q HA -0.252 4.088 4.340 0.000 0.000 0.202 216 Q C 2.325 178.343 176.000 0.031 0.000 0.977 216 Q CA 1.640 57.478 55.803 0.058 0.000 0.850 216 Q CB -0.120 28.659 28.738 0.069 0.000 0.901 216 Q HN 0.721 nan 8.270 nan 0.000 0.429 217 Q N -0.270 119.543 119.800 0.022 0.000 2.245 217 Q HA -0.004 4.336 4.340 0.000 0.000 0.201 217 Q C 2.062 178.046 176.000 -0.027 0.000 0.955 217 Q CA 0.754 56.560 55.803 0.004 0.000 0.870 217 Q CB -0.080 28.666 28.738 0.012 0.000 0.945 217 Q HN 0.313 nan 8.270 nan 0.000 0.461 218 A N 1.672 124.470 122.820 -0.035 0.000 1.958 218 A HA -0.342 3.978 4.320 0.000 0.000 0.221 218 A C 1.932 179.446 177.584 -0.117 0.000 1.178 218 A CA 1.922 53.915 52.037 -0.074 0.000 0.642 218 A CB -0.627 18.332 19.000 -0.068 0.000 0.816 218 A HN 0.488 nan 8.150 nan 0.000 0.453 219 E N 0.053 120.199 120.200 -0.090 0.000 2.065 219 E HA -0.285 4.065 4.350 0.000 0.000 0.201 219 E C 1.563 178.069 176.600 -0.157 0.000 1.016 219 E CA 1.863 58.187 56.400 -0.126 0.000 0.818 219 E CB -0.251 29.438 29.700 -0.018 0.000 0.749 219 E HN 0.600 nan 8.360 nan 0.000 0.453 220 D N -0.282 120.064 120.400 -0.090 0.000 2.133 220 D HA -0.186 4.454 4.640 0.000 0.000 0.195 220 D C 1.924 178.149 176.300 -0.124 0.000 0.997 220 D CA 1.331 55.282 54.000 -0.081 0.000 0.840 220 D CB -0.124 40.650 40.800 -0.044 0.000 0.947 220 D HN 0.053 nan 8.370 nan 0.000 0.452 221 K N 1.109 121.420 120.400 -0.148 0.000 2.025 221 K HA -0.045 4.275 4.320 0.000 0.000 0.207 221 K C 2.192 178.636 176.600 -0.259 0.000 1.049 221 K CA 0.662 56.827 56.287 -0.204 0.000 0.933 221 K CB -0.634 31.732 32.500 -0.224 0.000 0.714 221 K HN 0.117 nan 8.250 nan 0.000 0.438 222 I N 0.975 121.369 120.570 -0.294 0.000 2.091 222 I HA -0.407 3.763 4.170 0.000 0.000 0.239 222 I C 2.151 178.047 176.117 -0.368 0.000 1.061 222 I CA 1.778 62.847 61.300 -0.385 0.000 1.317 222 I CB -0.337 37.305 38.000 -0.596 0.000 1.031 222 I HN 0.195 nan 8.210 nan 0.000 0.401 223 K N 0.329 120.514 120.400 -0.359 0.000 2.089 223 K HA -0.298 4.022 4.320 0.000 0.000 0.210 223 K C 2.066 178.601 176.600 -0.108 0.000 1.048 223 K CA 2.047 58.219 56.287 -0.191 0.000 0.926 223 K CB -0.330 32.115 32.500 -0.092 0.000 0.714 223 K HN 0.400 nan 8.250 nan 0.000 0.448 224 E N 0.820 120.951 120.200 -0.116 0.000 2.023 224 E HA -0.211 4.139 4.350 0.000 0.000 0.196 224 E C 1.591 178.147 176.600 -0.074 0.000 1.003 224 E CA 1.284 57.636 56.400 -0.081 0.000 0.809 224 E CB 0.040 29.686 29.700 -0.090 0.000 0.755 224 E HN 0.111 nan 8.360 nan 0.000 0.449 225 L N 1.097 122.253 121.223 -0.111 0.000 2.610 225 L HA -0.054 4.286 4.340 0.000 0.000 0.232 225 L C 2.057 178.894 176.870 -0.055 0.000 1.149 225 L CA 0.277 55.070 54.840 -0.079 0.000 0.872 225 L CB -0.389 41.601 42.059 -0.115 0.000 0.992 225 L HN 0.240 nan 8.230 nan 0.000 0.447 226 L N -0.019 121.168 121.223 -0.060 0.000 2.127 226 L HA -0.179 4.161 4.340 0.000 0.000 0.211 226 L C 2.051 178.927 176.870 0.010 0.000 1.089 226 L CA 1.760 56.591 54.840 -0.015 0.000 0.757 226 L CB -0.506 41.566 42.059 0.020 0.000 0.899 226 L HN 0.395 nan 8.230 nan 0.000 0.434 227 N N -1.107 117.597 118.700 0.006 0.000 2.405 227 N HA -0.002 4.738 4.740 0.000 0.000 0.175 227 N C 0.925 176.441 175.510 0.010 0.000 1.051 227 N CA 0.861 53.918 53.050 0.012 0.000 0.899 227 N CB -0.400 38.094 38.487 0.012 0.000 1.000 227 N HN 0.536 nan 8.380 nan 0.000 0.451 228 T N -0.659 113.899 114.554 0.008 0.000 2.698 228 T HA 0.091 4.441 4.350 0.000 0.000 0.295 228 T C 0.955 175.660 174.700 0.008 0.000 1.007 228 T CA -0.242 61.866 62.100 0.013 0.000 0.980 228 T CB 1.059 69.942 68.868 0.025 0.000 1.036 228 T HN -0.106 nan 8.240 nan 0.000 0.526 229 D N 0.340 120.746 120.400 0.008 0.000 2.144 229 D HA -0.051 4.589 4.640 0.000 0.000 0.200 229 D C 0.788 177.075 176.300 -0.022 0.000 0.978 229 D CA 1.157 55.153 54.000 -0.006 0.000 0.833 229 D CB 0.086 40.881 40.800 -0.007 0.000 0.961 229 D HN 0.500 nan 8.370 nan 0.000 0.470 230 R N 1.148 121.636 120.500 -0.021 0.000 2.423 230 R HA 0.327 4.667 4.340 0.000 0.000 0.293 230 R C -2.490 173.807 176.300 -0.005 0.000 1.196 230 R CA -1.440 54.634 56.100 -0.044 0.000 1.262 230 R CB 1.599 31.816 30.300 -0.138 0.000 1.116 230 R HN 0.049 nan 8.270 nan 0.000 0.566 231 P HA 0.082 nan 4.420 nan 0.000 0.277 231 P C -0.215 177.068 177.300 -0.027 0.000 1.271 231 P CA -0.576 62.511 63.100 -0.022 0.000 0.795 231 P CB 0.684 32.377 31.700 -0.012 0.000 1.101 232 V N 1.987 121.865 119.914 -0.059 0.000 2.555 232 V HA 0.095 4.215 4.120 0.000 0.000 0.286 232 V C 1.252 177.325 176.094 -0.035 0.000 1.044 232 V CA 0.676 62.941 62.300 -0.060 0.000 1.026 232 V CB 0.236 31.987 31.823 -0.120 0.000 0.981 232 V HN 0.560 nan 8.190 nan 0.000 0.480 233 K N 2.959 123.345 120.400 -0.024 0.000 2.491 233 K HA 0.340 4.660 4.320 0.000 0.000 0.211 233 K C -0.638 175.943 176.600 -0.032 0.000 1.210 233 K CA -0.148 56.126 56.287 -0.021 0.000 1.003 233 K CB 1.199 33.685 32.500 -0.022 0.000 1.009 233 K HN 0.467 nan 8.250 nan 0.000 0.577 234 L N 1.233 122.435 121.223 -0.036 0.000 2.438 234 L HA 0.506 4.846 4.340 0.000 0.000 0.270 234 L C -1.678 175.153 176.870 -0.065 0.000 0.972 234 L CA -0.710 54.096 54.840 -0.056 0.000 0.831 234 L CB 1.823 43.840 42.059 -0.069 0.000 1.273 234 L HN -0.034 nan 8.230 nan 0.000 0.405 235 L N 6.109 127.281 121.223 -0.084 0.000 2.372 235 L HA 0.634 4.974 4.340 0.000 0.000 0.273 235 L C -1.168 175.607 176.870 -0.159 0.000 0.989 235 L CA -0.259 54.515 54.840 -0.109 0.000 0.841 235 L CB 1.167 43.169 42.059 -0.095 0.000 1.225 235 L HN 0.625 nan 8.230 nan 0.000 0.414 236 I N 4.881 125.287 120.570 -0.273 0.000 2.498 236 I HA 0.459 4.629 4.170 0.000 0.000 0.301 236 I C -0.703 175.174 176.117 -0.400 0.000 0.984 236 I CA -0.915 60.131 61.300 -0.423 0.000 1.204 236 I CB 2.060 39.470 38.000 -0.982 0.000 1.362 236 I HN 0.241 nan 8.210 nan 0.000 0.471 237 V N 3.831 123.553 119.914 -0.320 0.000 2.419 237 V HA 0.326 4.446 4.120 0.000 0.000 0.287 237 V C -1.235 174.744 176.094 -0.193 0.000 1.017 237 V CA -0.366 61.810 62.300 -0.206 0.000 0.844 237 V CB 1.636 33.383 31.823 -0.126 0.000 1.011 237 V HN 0.718 nan 8.190 nan 0.000 0.429 238 D N 2.983 123.305 120.400 -0.130 0.000 2.479 238 D HA 0.382 5.022 4.640 0.000 0.000 0.246 238 D C -0.529 175.808 176.300 0.062 0.000 1.336 238 D CA 0.030 54.010 54.000 -0.034 0.000 0.967 238 D CB 2.159 42.949 40.800 -0.016 0.000 1.275 238 D HN 0.453 nan 8.370 nan 0.000 0.577 239 S N 2.825 118.536 115.700 0.019 0.000 2.616 239 S HA 0.315 4.785 4.470 0.000 0.000 0.277 239 S C 0.869 175.465 174.600 -0.007 0.000 1.234 239 S CA -0.688 57.513 58.200 -0.000 0.000 1.028 239 S CB 1.056 64.274 63.200 0.031 0.000 0.988 239 S HN 0.525 nan 8.310 nan 0.000 0.522 240 L N 4.190 125.420 121.223 0.010 0.000 2.162 240 L HA 0.148 4.488 4.340 0.000 0.000 0.205 240 L C 2.307 179.302 176.870 0.207 0.000 1.086 240 L CA 2.357 57.245 54.840 0.081 0.000 0.778 240 L CB -0.704 41.350 42.059 -0.008 0.000 0.928 240 L HN 0.936 nan 8.230 nan 0.000 0.446 241 T N -4.600 110.047 114.554 0.154 0.000 3.037 241 T HA -0.004 4.346 4.350 0.000 0.000 0.252 241 T C 1.991 176.844 174.700 0.255 0.000 1.073 241 T CA 0.710 62.949 62.100 0.232 0.000 1.091 241 T CB -0.402 68.538 68.868 0.121 0.000 0.935 241 T HN 0.313 nan 8.240 nan 0.000 0.488 242 S N 1.927 117.716 115.700 0.149 0.000 2.422 242 S HA -0.403 4.067 4.470 0.000 0.000 0.248 242 S C 1.884 176.611 174.600 0.211 0.000 1.069 242 S CA 2.346 60.623 58.200 0.129 0.000 1.214 242 S CB -1.021 62.185 63.200 0.010 0.000 1.122 242 S HN 0.831 nan 8.310 nan 0.000 0.432 243 H N -1.261 117.857 119.070 0.079 0.000 2.353 243 H HA -0.032 4.524 4.556 0.000 0.000 0.300 243 H C 2.056 177.379 175.328 -0.008 0.000 1.090 243 H CA 1.578 57.611 56.048 -0.026 0.000 1.327 243 H CB -0.262 29.399 29.762 -0.167 0.000 1.383 243 H HN 0.470 nan 8.280 nan 0.000 0.508 244 F N 1.083 121.203 119.950 0.284 0.000 2.126 244 F HA -0.183 4.344 4.527 0.000 0.000 0.299 244 F C 2.487 178.466 175.800 0.299 0.000 1.096 244 F CA 1.339 59.521 58.000 0.303 0.000 1.255 244 F CB -0.065 39.023 39.000 0.147 0.000 0.997 244 F HN 0.141 nan 8.300 nan 0.000 0.479 245 R N -0.789 119.937 120.500 0.376 0.000 2.328 245 R HA 0.123 4.463 4.340 0.000 0.000 0.206 245 R C 0.928 177.349 176.300 0.201 0.000 0.990 245 R CA 1.017 57.275 56.100 0.263 0.000 1.085 245 R CB -0.278 30.147 30.300 0.208 0.000 0.998 245 R HN 0.027 nan 8.270 nan 0.000 0.484 246 S N 0.076 115.890 115.700 0.189 0.000 2.619 246 S HA 0.106 4.576 4.470 0.000 0.000 0.238 246 S C 0.908 175.526 174.600 0.030 0.000 1.068 246 S CA -0.262 58.001 58.200 0.105 0.000 0.926 246 S CB 0.576 63.838 63.200 0.104 0.000 0.864 246 S HN 0.436 nan 8.310 nan 0.000 0.493 247 E N 0.033 120.231 120.200 -0.003 0.000 2.400 247 E HA 0.060 4.410 4.350 0.000 0.000 0.195 247 E C -0.757 175.599 176.600 -0.408 0.000 1.012 247 E CA 0.520 56.772 56.400 -0.246 0.000 0.875 247 E CB 0.230 29.690 29.700 -0.400 0.000 0.859 247 E HN 0.473 nan 8.360 nan 0.000 0.498 248 Y N 0.724 121.064 120.300 0.068 0.000 2.575 248 Y HA 0.324 4.874 4.550 0.000 0.000 0.326 248 Y C -0.373 175.564 175.900 0.061 0.000 0.979 248 Y CA -0.820 57.325 58.100 0.074 0.000 1.286 248 Y CB 0.561 39.092 38.460 0.118 0.000 1.093 248 Y HN -0.122 nan 8.280 nan 0.000 0.501 249 I N 2.119 122.762 120.570 0.122 0.000 2.493 249 I HA 0.746 4.916 4.170 0.000 0.000 0.298 249 I C 0.402 176.564 176.117 0.075 0.000 0.998 249 I CA -0.508 60.844 61.300 0.087 0.000 1.137 249 I CB 1.655 39.681 38.000 0.044 0.000 1.310 249 I HN 0.667 nan 8.210 nan 0.000 0.445 250 G N 4.647 113.484 108.800 0.061 0.000 2.750 250 G HA2 -0.162 3.798 3.960 0.000 0.000 0.686 250 G HA3 -0.162 3.798 3.960 0.000 0.000 0.686 250 G C -0.049 174.885 174.900 0.056 0.000 1.395 250 G CA -0.752 44.376 45.100 0.047 0.000 0.918 250 G HN 0.727 nan 8.290 nan 0.000 0.594 251 R N 0.993 121.517 120.500 0.041 0.000 2.944 251 R HA 0.403 4.743 4.340 0.000 0.000 0.279 251 R C 1.753 178.080 176.300 0.046 0.000 1.048 251 R CA 1.417 57.541 56.100 0.039 0.000 1.196 251 R CB -0.304 30.011 30.300 0.025 0.000 1.134 251 R HN 2.547 nan 8.270 nan 0.000 0.525 252 G N -0.425 108.402 108.800 0.044 0.000 2.160 252 G HA2 -0.252 3.708 3.960 0.000 0.000 0.251 252 G HA3 -0.252 3.708 3.960 0.000 0.000 0.251 252 G C 0.217 175.161 174.900 0.074 0.000 1.008 252 G CA 0.708 45.837 45.100 0.047 0.000 0.724 252 G HN 0.906 nan 8.290 nan 0.000 0.514 253 A N -2.005 120.873 122.820 0.096 0.000 1.480 253 A HA 0.505 4.825 4.320 0.000 0.000 0.207 253 A C 1.677 179.349 177.584 0.148 0.000 1.923 253 A CA 1.004 53.146 52.037 0.174 0.000 1.531 253 A CB -0.613 18.506 19.000 0.199 0.000 1.476 253 A HN 1.445 nan 8.150 nan 0.000 0.317 254 L N 1.319 122.601 121.223 0.099 0.000 2.129 254 L HA -0.053 4.287 4.340 0.000 0.000 0.212 254 L C 2.293 179.162 176.870 -0.000 0.000 1.087 254 L CA 2.949 57.819 54.840 0.049 0.000 0.757 254 L CB -0.735 41.348 42.059 0.040 0.000 0.896 254 L HN 0.506 nan 8.230 nan 0.000 0.434 255 A N -0.850 121.977 122.820 0.012 0.000 1.873 255 A HA -0.237 4.083 4.320 0.000 0.000 0.215 255 A C 2.366 179.935 177.584 -0.026 0.000 1.186 255 A CA 1.704 53.738 52.037 -0.006 0.000 0.616 255 A CB -0.717 18.288 19.000 0.008 0.000 0.823 255 A HN 0.628 nan 8.150 nan 0.000 0.442 256 E N -0.405 119.788 120.200 -0.011 0.000 2.152 256 E HA -0.203 4.147 4.350 0.000 0.000 0.192 256 E C 2.239 178.733 176.600 -0.177 0.000 0.983 256 E CA 0.908 57.291 56.400 -0.029 0.000 0.818 256 E CB -0.111 29.630 29.700 0.069 0.000 0.758 256 E HN 0.626 nan 8.360 nan 0.000 0.467 257 R N 0.392 120.689 120.500 -0.338 0.000 2.094 257 R HA -0.215 4.125 4.340 0.000 0.000 0.239 257 R C 2.219 178.324 176.300 -0.325 0.000 1.137 257 R CA 1.938 57.680 56.100 -0.597 0.000 0.943 257 R CB -0.154 29.888 30.300 -0.429 0.000 0.850 257 R HN 0.113 nan 8.270 nan 0.000 0.433 258 Q N 0.270 119.959 119.800 -0.184 0.000 2.084 258 Q HA -0.150 4.190 4.340 0.000 0.000 0.202 258 Q C 2.110 178.058 176.000 -0.088 0.000 0.978 258 Q CA 1.249 56.984 55.803 -0.113 0.000 0.844 258 Q CB -0.247 28.459 28.738 -0.053 0.000 0.898 258 Q HN 0.501 nan 8.270 nan 0.000 0.426 259 Q N 0.430 120.185 119.800 -0.075 0.000 2.364 259 Q HA -0.067 4.273 4.340 0.000 0.000 0.209 259 Q C 1.507 177.491 176.000 -0.027 0.000 0.977 259 Q CA 1.032 56.813 55.803 -0.037 0.000 0.885 259 Q CB 0.137 28.863 28.738 -0.018 0.000 0.941 259 Q HN 0.388 nan 8.270 nan 0.000 0.464 260 K N -0.395 119.967 120.400 -0.063 0.000 2.240 260 K HA 0.085 4.405 4.320 0.000 0.000 0.202 260 K C 1.849 178.402 176.600 -0.078 0.000 1.053 260 K CA -0.183 56.101 56.287 -0.005 0.000 0.973 260 K CB -0.011 32.539 32.500 0.083 0.000 0.924 260 K HN 0.047 nan 8.250 nan 0.000 0.477 261 L N 1.550 122.574 121.223 -0.333 0.000 2.127 261 L HA -0.113 4.227 4.340 0.000 0.000 0.211 261 L C 1.927 178.677 176.870 -0.201 0.000 1.089 261 L CA 2.093 56.592 54.840 -0.568 0.000 0.757 261 L CB -0.937 40.695 42.059 -0.711 0.000 0.899 261 L HN 0.115 nan 8.230 nan 0.000 0.434 262 A N -0.507 122.266 122.820 -0.077 0.000 1.968 262 A HA -0.137 4.183 4.320 0.000 0.000 0.217 262 A C 2.283 179.893 177.584 0.043 0.000 1.169 262 A CA 0.999 53.058 52.037 0.036 0.000 0.638 262 A CB -0.378 18.666 19.000 0.073 0.000 0.812 262 A HN 0.329 nan 8.150 nan 0.000 0.446 263 K N -0.658 119.768 120.400 0.043 0.000 2.228 263 K HA -0.094 4.226 4.320 0.000 0.000 0.202 263 K C 1.741 178.412 176.600 0.119 0.000 1.051 263 K CA 1.144 57.474 56.287 0.073 0.000 0.960 263 K CB -0.466 32.079 32.500 0.076 0.000 0.743 263 K HN 0.812 nan 8.250 nan 0.000 0.458 264 H N -0.350 118.714 119.070 -0.010 0.000 2.284 264 H HA -0.089 4.467 4.556 0.000 0.000 0.304 264 H C 1.838 177.147 175.328 -0.032 0.000 1.069 264 H CA 1.075 57.124 56.048 0.002 0.000 1.327 264 H CB 0.349 30.113 29.762 0.003 0.000 1.387 264 H HN -0.041 nan 8.280 nan 0.000 0.498 265 L N 1.170 122.334 121.223 -0.099 0.000 2.081 265 L HA -0.177 4.163 4.340 0.000 0.000 0.212 265 L C 2.849 179.703 176.870 -0.026 0.000 1.080 265 L CA 1.773 56.511 54.840 -0.170 0.000 0.754 265 L CB -1.171 40.803 42.059 -0.140 0.000 0.893 265 L HN 0.376 nan 8.230 nan 0.000 0.433 266 A N -1.228 121.631 122.820 0.066 0.000 1.969 266 A HA -0.187 4.133 4.320 0.000 0.000 0.218 266 A C 2.034 179.658 177.584 0.068 0.000 1.169 266 A CA 1.641 53.745 52.037 0.111 0.000 0.635 266 A CB -0.489 18.554 19.000 0.071 0.000 0.810 266 A HN 0.412 nan 8.150 nan 0.000 0.445 267 D N 0.043 120.459 120.400 0.027 0.000 2.144 267 D HA -0.093 4.547 4.640 0.000 0.000 0.200 267 D C 1.961 178.249 176.300 -0.019 0.000 0.978 267 D CA 1.017 55.031 54.000 0.024 0.000 0.833 267 D CB -0.179 40.654 40.800 0.056 0.000 0.961 267 D HN 0.462 nan 8.370 nan 0.000 0.470 268 L N 0.298 121.451 121.223 -0.117 0.000 2.027 268 L HA -0.146 4.194 4.340 0.000 0.000 0.206 268 L C 2.561 179.367 176.870 -0.108 0.000 1.074 268 L CA 0.904 55.643 54.840 -0.168 0.000 0.745 268 L CB -0.522 41.345 42.059 -0.320 0.000 0.898 268 L HN 0.119 nan 8.230 nan 0.000 0.433 269 H N 0.028 119.059 119.070 -0.065 0.000 2.353 269 H HA -0.216 4.340 4.556 0.000 0.000 0.298 269 H C 2.401 177.716 175.328 -0.022 0.000 1.103 269 H CA 1.881 57.905 56.048 -0.040 0.000 1.293 269 H CB -0.113 29.627 29.762 -0.037 0.000 1.372 269 H HN 0.258 nan 8.280 nan 0.000 0.501 270 R N 0.717 121.286 120.500 0.115 0.000 2.082 270 R HA -0.123 4.217 4.340 0.000 0.000 0.234 270 R C 2.605 178.945 176.300 0.068 0.000 1.136 270 R CA 1.373 57.509 56.100 0.061 0.000 0.935 270 R CB -0.391 29.936 30.300 0.046 0.000 0.842 270 R HN 0.220 nan 8.270 nan 0.000 0.430 271 L N 0.534 121.818 121.223 0.102 0.000 2.043 271 L HA -0.213 4.127 4.340 0.000 0.000 0.212 271 L C 2.808 179.784 176.870 0.176 0.000 1.075 271 L CA 1.476 56.439 54.840 0.204 0.000 0.752 271 L CB -0.689 41.440 42.059 0.116 0.000 0.891 271 L HN 0.399 nan 8.230 nan 0.000 0.432 272 A N 0.276 123.142 122.820 0.076 0.000 1.908 272 A HA -0.261 4.059 4.320 0.000 0.000 0.218 272 A C 2.004 179.624 177.584 0.059 0.000 1.181 272 A CA 2.420 54.489 52.037 0.053 0.000 0.627 272 A CB -0.758 18.253 19.000 0.018 0.000 0.818 272 A HN 0.596 nan 8.150 nan 0.000 0.445 273 N N -0.668 118.061 118.700 0.049 0.000 2.305 273 N HA 0.041 4.781 4.740 0.000 0.000 0.179 273 N C 1.606 177.084 175.510 -0.054 0.000 1.019 273 N CA 0.520 53.582 53.050 0.019 0.000 0.869 273 N CB -0.112 38.394 38.487 0.031 0.000 1.000 273 N HN 0.263 nan 8.380 nan 0.000 0.431 274 L N 0.545 121.690 121.223 -0.130 0.000 2.187 274 L HA -0.143 4.197 4.340 0.000 0.000 0.213 274 L C 0.218 176.694 176.870 -0.656 0.000 1.100 274 L CA 2.018 56.605 54.840 -0.421 0.000 0.765 274 L CB -0.436 41.292 42.059 -0.552 0.000 0.904 274 L HN 0.322 nan 8.230 nan 0.000 0.437 275 Y N -1.614 118.682 120.300 -0.008 0.000 2.738 275 Y HA 0.194 4.744 4.550 0.000 0.000 0.249 275 Y C 0.439 176.329 175.900 -0.017 0.000 1.153 275 Y CA -1.061 57.030 58.100 -0.015 0.000 1.165 275 Y CB -0.006 38.440 38.460 -0.023 0.000 1.235 275 Y HN 0.125 nan 8.280 nan 0.000 0.559 276 D N 1.375 121.823 120.400 0.080 0.000 2.686 276 D HA -0.223 4.417 4.640 0.000 0.000 0.235 276 D C -0.539 175.788 176.300 0.046 0.000 1.160 276 D CA 0.695 54.722 54.000 0.044 0.000 0.645 276 D CB -0.853 39.963 40.800 0.027 0.000 1.039 276 D HN 0.427 nan 8.370 nan 0.000 0.423 277 I N -0.051 120.554 120.570 0.058 0.000 2.498 277 I HA 0.543 4.713 4.170 0.000 0.000 0.301 277 I C 0.849 176.967 176.117 0.001 0.000 0.984 277 I CA -0.956 60.360 61.300 0.027 0.000 1.204 277 I CB 1.693 39.712 38.000 0.032 0.000 1.362 277 I HN 0.192 nan 8.210 nan 0.000 0.471 278 A N 6.057 128.867 122.820 -0.017 0.000 2.274 278 A HA 0.620 4.940 4.320 0.000 0.000 0.309 278 A C -0.592 176.975 177.584 -0.028 0.000 1.226 278 A CA -0.401 51.623 52.037 -0.022 0.000 0.853 278 A CB 0.728 19.709 19.000 -0.031 0.000 1.146 278 A HN 0.447 nan 8.150 nan 0.000 0.518 279 V N 3.504 123.398 119.914 -0.034 0.000 2.347 279 V HA 0.372 4.492 4.120 0.000 0.000 0.280 279 V C -0.875 175.208 176.094 -0.018 0.000 1.021 279 V CA -0.215 62.047 62.300 -0.063 0.000 0.847 279 V CB 0.808 32.550 31.823 -0.134 0.000 0.990 279 V HN 0.760 nan 8.190 nan 0.000 0.444 280 F N 6.864 126.694 119.950 -0.200 0.000 2.444 280 F HA 0.765 5.292 4.527 0.000 0.000 0.342 280 F C -0.188 175.477 175.800 -0.225 0.000 1.121 280 F CA -0.659 57.220 58.000 -0.202 0.000 0.997 280 F CB 1.680 40.543 39.000 -0.228 0.000 1.130 280 F HN 0.369 nan 8.300 nan 0.000 0.454 281 V N 2.296 121.811 119.914 -0.665 0.000 2.876 281 V HA 0.837 4.957 4.120 0.000 0.000 0.312 281 V C -0.511 175.235 176.094 -0.580 0.000 1.085 281 V CA -0.452 61.552 62.300 -0.492 0.000 0.945 281 V CB 1.200 32.839 31.823 -0.307 0.000 1.017 281 V HN 0.875 nan 8.190 nan 0.000 0.428 282 T N 0.329 114.672 114.554 -0.350 0.000 2.940 282 T HA 0.613 4.963 4.350 0.000 0.000 0.288 282 T C -0.515 174.136 174.700 -0.082 0.000 1.033 282 T CA -0.541 61.424 62.100 -0.225 0.000 1.033 282 T CB 1.597 70.391 68.868 -0.123 0.000 1.079 282 T HN 1.078 nan 8.240 nan 0.000 0.496 283 N N 1.152 119.852 118.700 0.000 0.000 2.549 283 N HA 0.156 4.896 4.740 0.000 0.000 0.290 283 N C -1.095 174.480 175.510 0.109 0.000 1.122 283 N CA -0.383 52.699 53.050 0.052 0.000 0.885 283 N CB 1.870 40.380 38.487 0.038 0.000 1.455 283 N HN 0.763 nan 8.380 nan 0.000 0.521 284 Q N 2.872 122.737 119.800 0.109 0.000 2.314 284 Q HA 0.349 4.689 4.340 0.000 0.000 0.258 284 Q C -1.412 174.653 176.000 0.108 0.000 0.954 284 Q CA -0.123 55.765 55.803 0.143 0.000 0.890 284 Q CB 1.283 30.130 28.738 0.181 0.000 1.210 284 Q HN 0.392 nan 8.270 nan 0.000 0.410 285 V N 4.475 124.448 119.914 0.098 0.000 2.686 285 V HA 0.233 4.353 4.120 0.000 0.000 0.306 285 V C -0.501 175.621 176.094 0.048 0.000 1.065 285 V CA -0.583 61.652 62.300 -0.108 0.000 0.894 285 V CB 2.005 33.694 31.823 -0.223 0.000 1.004 285 V HN 1.004 nan 8.190 nan 0.000 0.424 303 H N 1.828 120.903 119.070 0.009 0.000 4.145 303 H HA -0.109 4.447 4.556 0.000 0.000 0.169 303 H C 1.255 176.559 175.328 -0.041 0.000 0.679 303 H CA 0.626 56.661 56.048 -0.021 0.000 1.315 303 H CB -0.063 29.669 29.762 -0.049 0.000 1.522 303 H HN 0.571 nan 8.280 nan 0.000 0.757 304 I N 3.356 123.985 120.570 0.098 0.000 2.886 304 I HA 0.302 4.472 4.170 0.000 0.000 0.299 304 I C -0.027 176.060 176.117 -0.050 0.000 1.044 304 I CA -0.727 60.584 61.300 0.018 0.000 1.310 304 I CB 0.939 38.948 38.000 0.015 0.000 1.441 304 I HN 0.395 nan 8.210 nan 0.000 0.578 305 L N 3.967 125.135 121.223 -0.090 0.000 2.491 305 L HA 0.754 5.094 4.340 0.000 0.000 0.254 305 L C -0.650 176.093 176.870 -0.212 0.000 1.048 305 L CA -0.811 53.937 54.840 -0.154 0.000 0.855 305 L CB 1.557 43.509 42.059 -0.178 0.000 1.466 305 L HN 0.505 nan 8.230 nan 0.000 0.409 306 A N -0.670 122.010 122.820 -0.234 0.000 3.095 306 A HA 0.411 4.731 4.320 0.000 0.000 0.301 306 A C 0.768 178.166 177.584 -0.309 0.000 1.432 306 A CA -0.061 51.767 52.037 -0.348 0.000 1.140 306 A CB -1.488 17.364 19.000 -0.247 0.000 1.174 306 A HN 1.053 nan 8.150 nan 0.000 0.546 307 H N -0.362 118.680 119.070 -0.047 0.000 2.325 307 H HA -0.205 4.351 4.556 0.000 0.000 0.293 307 H C 1.755 177.092 175.328 0.015 0.000 1.106 307 H CA 2.199 58.233 56.048 -0.024 0.000 1.247 307 H CB -0.729 29.014 29.762 -0.033 0.000 1.359 307 H HN 0.394 nan 8.280 nan 0.000 0.488 308 S N 0.522 116.315 115.700 0.154 0.000 2.462 308 S HA 0.003 4.473 4.470 0.000 0.000 0.243 308 S C 1.291 176.032 174.600 0.235 0.000 1.003 308 S CA 0.430 58.796 58.200 0.277 0.000 0.970 308 S CB -0.804 62.652 63.200 0.426 0.000 0.762 308 S HN 0.835 nan 8.310 nan 0.000 0.510 309 A N 1.679 124.535 122.820 0.060 0.000 2.567 309 A HA 0.012 4.332 4.320 0.000 0.000 0.263 309 A C 1.394 179.028 177.584 0.083 0.000 1.030 309 A CA 0.579 52.630 52.037 0.023 0.000 0.833 309 A CB -0.254 18.740 19.000 -0.009 0.000 0.924 309 A HN 0.379 nan 8.150 nan 0.000 0.518 310 T N 1.676 116.292 114.554 0.103 0.000 2.803 310 T HA 0.004 4.354 4.350 0.000 0.000 0.269 310 T C 0.470 175.206 174.700 0.061 0.000 1.052 310 T CA 1.906 64.065 62.100 0.098 0.000 1.136 310 T CB -0.347 68.575 68.868 0.090 0.000 0.864 310 T HN 0.734 nan 8.240 nan 0.000 0.467 311 L N 0.476 121.726 121.223 0.045 0.000 2.565 311 L HA 0.446 4.786 4.340 0.000 0.000 0.261 311 L C -1.681 175.218 176.870 0.050 0.000 0.932 311 L CA -0.688 54.181 54.840 0.048 0.000 0.878 311 L CB 1.842 43.921 42.059 0.034 0.000 1.333 311 L HN -0.179 nan 8.230 nan 0.000 0.409 312 R N 4.408 124.960 120.500 0.086 0.000 2.393 312 R HA 0.783 5.123 4.340 0.000 0.000 0.315 312 R C -1.369 174.996 176.300 0.109 0.000 0.952 312 R CA -0.896 55.289 56.100 0.143 0.000 0.842 312 R CB 2.118 32.567 30.300 0.248 0.000 1.163 312 R HN 0.414 nan 8.270 nan 0.000 0.450 313 V N 3.919 123.835 119.914 0.004 0.000 2.459 313 V HA 0.249 4.369 4.120 0.000 0.000 0.295 313 V C -0.944 174.917 176.094 -0.389 0.000 1.029 313 V CA -0.925 61.319 62.300 -0.092 0.000 0.874 313 V CB 1.326 33.123 31.823 -0.043 0.000 0.985 313 V HN 0.591 nan 8.190 nan 0.000 0.438 314 Y N 7.149 127.099 120.300 -0.583 0.000 2.360 314 Y HA 0.805 5.355 4.550 0.000 0.000 0.337 314 Y C -0.877 174.786 175.900 -0.395 0.000 1.039 314 Y CA -1.659 55.877 58.100 -0.941 0.000 1.109 314 Y CB 1.543 39.568 38.460 -0.726 0.000 1.201 314 Y HN 0.574 nan 8.280 nan 0.000 0.458 315 L N 5.322 126.059 121.223 -0.810 0.000 2.422 315 L HA 0.790 5.130 4.340 0.000 0.000 0.264 315 L C -1.123 175.370 176.870 -0.629 0.000 0.984 315 L CA -1.282 53.171 54.840 -0.645 0.000 0.819 315 L CB 2.114 44.056 42.059 -0.195 0.000 1.330 315 L HN 0.733 nan 8.230 nan 0.000 0.410 316 R N 0.477 120.669 120.500 -0.512 0.000 2.836 316 R HA 0.583 4.923 4.340 0.000 0.000 0.269 316 R C -1.150 175.032 176.300 -0.195 0.000 1.010 316 R CA -0.939 54.992 56.100 -0.281 0.000 0.930 316 R CB 1.726 31.886 30.300 -0.234 0.000 1.218 316 R HN 0.736 nan 8.270 nan 0.000 0.473 317 K N 0.573 120.911 120.400 -0.103 0.000 2.412 317 K HA 0.207 4.527 4.320 0.000 0.000 0.281 317 K C -0.045 176.491 176.600 -0.106 0.000 1.027 317 K CA 0.316 56.545 56.287 -0.096 0.000 0.989 317 K CB 0.758 33.240 32.500 -0.031 0.000 0.935 317 K HN 0.717 nan 8.250 nan 0.000 0.475 318 G N 3.009 111.723 108.800 -0.143 0.000 2.890 318 G HA2 0.102 4.062 3.960 0.000 0.000 0.189 318 G HA3 0.102 4.062 3.960 0.000 0.000 0.189 318 G C 0.108 174.957 174.900 -0.084 0.000 1.342 318 G CA -0.383 44.644 45.100 -0.123 0.000 1.026 318 G HN 0.705 nan 8.290 nan 0.000 0.579 319 K N -0.730 119.623 120.400 -0.078 0.000 2.471 319 K HA -0.062 4.258 4.320 0.000 0.000 0.225 319 K C 1.309 177.882 176.600 -0.045 0.000 0.720 319 K CA 1.435 57.691 56.287 -0.052 0.000 0.918 319 K CB -0.936 31.534 32.500 -0.049 0.000 0.405 319 K HN 0.424 nan 8.250 nan 0.000 0.961 320 G N -0.844 107.930 108.800 -0.043 0.000 2.807 320 G HA2 0.407 4.367 3.960 0.000 0.000 0.316 320 G HA3 0.407 4.367 3.960 0.000 0.000 0.316 320 G C 0.410 175.287 174.900 -0.038 0.000 0.900 320 G CA 0.081 45.162 45.100 -0.033 0.000 1.499 320 G HN 0.838 nan 8.290 nan 0.000 0.484 321 G N 1.151 109.928 108.800 -0.038 0.000 2.187 321 G HA2 -0.291 3.669 3.960 0.000 0.000 0.261 321 G HA3 -0.291 3.669 3.960 0.000 0.000 0.261 321 G C 0.531 175.391 174.900 -0.066 0.000 1.000 321 G CA 0.811 45.888 45.100 -0.038 0.000 0.718 321 G HN 0.709 nan 8.290 nan 0.000 0.519 322 K N -1.074 119.265 120.400 -0.103 0.000 2.211 322 K HA 0.740 5.060 4.320 0.000 0.000 0.237 322 K C 0.406 176.835 176.600 -0.285 0.000 1.002 322 K CA -1.023 55.157 56.287 -0.179 0.000 0.885 322 K CB 1.011 33.414 32.500 -0.162 0.000 1.136 322 K HN 0.077 nan 8.250 nan 0.000 0.448 323 R N 0.545 120.714 120.500 -0.551 0.000 2.875 323 R HA 0.552 4.892 4.340 0.000 0.000 0.251 323 R C -0.938 174.927 176.300 -0.725 0.000 1.123 323 R CA -0.785 54.893 56.100 -0.703 0.000 1.064 323 R CB 0.917 30.572 30.300 -1.075 0.000 1.205 323 R HN 0.520 nan 8.270 nan 0.000 0.503 324 I N 0.026 120.276 120.570 -0.532 0.000 2.710 324 I HA 0.640 4.810 4.170 0.000 0.000 0.290 324 I C -1.795 174.183 176.117 -0.232 0.000 1.318 324 I CA -0.324 60.787 61.300 -0.315 0.000 1.045 324 I CB 1.710 39.582 38.000 -0.212 0.000 1.307 324 I HN 0.674 nan 8.210 nan 0.000 0.424 325 A N 7.920 130.691 122.820 -0.082 0.000 2.413 325 A HA 0.960 5.280 4.320 0.000 0.000 0.307 325 A C -1.027 176.528 177.584 -0.049 0.000 1.087 325 A CA -0.761 51.225 52.037 -0.083 0.000 0.750 325 A CB 2.169 21.211 19.000 0.070 0.000 1.296 325 A HN 0.778 nan 8.150 nan 0.000 0.423 326 R N 1.362 121.829 120.500 -0.055 0.000 2.707 326 R HA 0.583 4.923 4.340 0.000 0.000 0.272 326 R C -1.727 174.601 176.300 0.046 0.000 1.011 326 R CA -0.677 55.437 56.100 0.023 0.000 0.893 326 R CB 1.102 31.444 30.300 0.071 0.000 1.233 326 R HN 0.582 nan 8.270 nan 0.000 0.464 327 L N 2.036 123.294 121.223 0.058 0.000 2.479 327 L HA 0.398 4.738 4.340 0.000 0.000 0.249 327 L C -0.054 176.877 176.870 0.102 0.000 1.178 327 L CA -0.102 54.779 54.840 0.068 0.000 0.811 327 L CB 0.534 42.629 42.059 0.059 0.000 1.187 327 L HN 0.535 nan 8.230 nan 0.000 0.480 328 I N 2.156 122.793 120.570 0.112 0.000 2.537 328 I HA 0.391 4.561 4.170 0.000 0.000 0.276 328 I C -0.636 175.538 176.117 0.094 0.000 1.063 328 I CA -0.000 61.376 61.300 0.127 0.000 1.144 328 I CB 0.205 38.323 38.000 0.198 0.000 1.252 328 I HN 0.734 nan 8.210 nan 0.000 0.480 329 D N 5.183 125.627 120.400 0.074 0.000 4.512 329 D HA 0.057 4.697 4.640 0.000 0.000 0.326 329 D C -0.291 176.040 176.300 0.051 0.000 1.571 329 D CA 0.391 54.426 54.000 0.058 0.000 0.955 329 D CB -0.489 40.348 40.800 0.061 0.000 1.251 329 D HN 0.273 nan 8.370 nan 0.000 0.566 330 A N -1.614 121.234 122.820 0.047 0.000 1.806 330 A HA 0.410 4.730 4.320 0.000 0.000 0.193 330 A C -2.255 175.353 177.584 0.040 0.000 1.883 330 A CA 0.561 52.622 52.037 0.039 0.000 1.434 330 A CB -0.690 18.325 19.000 0.026 0.000 1.505 330 A HN 0.589 nan 8.150 nan 0.000 0.364 331 P HA 0.190 nan 4.420 nan 0.000 0.266 331 P C -0.763 176.607 177.300 0.117 0.000 1.215 331 P CA 1.151 64.274 63.100 0.038 0.000 0.763 331 P CB -0.092 31.631 31.700 0.038 0.000 0.806 332 H N 1.062 120.142 119.070 0.016 0.000 3.851 332 H HA -0.173 4.383 4.556 0.000 0.000 0.284 332 H C 0.211 175.548 175.328 0.016 0.000 0.720 332 H CA 0.314 56.371 56.048 0.014 0.000 0.826 332 H CB -0.704 29.067 29.762 0.015 0.000 1.345 332 H HN 0.549 nan 8.280 nan 0.000 0.314 333 L N 2.294 123.624 121.223 0.179 0.000 0.602 333 L HA -0.127 4.213 4.340 0.000 0.000 0.358 333 L C -1.608 175.302 176.870 0.067 0.000 1.004 333 L CA 0.425 55.322 54.840 0.096 0.000 1.221 333 L CB -0.245 41.857 42.059 0.071 0.000 0.206 333 L HN 0.606 nan 8.230 nan 0.000 0.151 334 P HA 0.156 nan 4.420 nan 0.000 0.295 334 P C -0.811 176.512 177.300 0.038 0.000 1.300 334 P CA 0.219 63.342 63.100 0.038 0.000 0.801 334 P CB 0.407 32.125 31.700 0.030 0.000 1.420 335 E N -3.106 117.114 120.200 0.033 0.000 2.412 335 E HA 0.592 4.942 4.350 0.000 0.000 0.279 335 E C -0.517 176.101 176.600 0.031 0.000 0.984 335 E CA -0.742 55.679 56.400 0.035 0.000 0.788 335 E CB 1.800 31.520 29.700 0.035 0.000 1.277 335 E HN 0.861 nan 8.360 nan 0.000 0.455 336 G N 0.883 109.702 108.800 0.033 0.000 2.316 336 G HA2 0.008 3.968 3.960 0.000 0.000 0.349 336 G HA3 0.008 3.968 3.960 0.000 0.000 0.349 336 G C -1.449 173.469 174.900 0.029 0.000 1.274 336 G CA -0.883 44.234 45.100 0.028 0.000 1.018 336 G HN 0.433 nan 8.290 nan 0.000 0.486 337 E N -0.800 119.413 120.200 0.021 0.000 2.320 337 E HA 0.700 5.050 4.350 0.000 0.000 0.264 337 E C -0.300 176.311 176.600 0.019 0.000 0.923 337 E CA -0.611 55.798 56.400 0.015 0.000 0.796 337 E CB 2.333 32.034 29.700 0.002 0.000 1.262 337 E HN 1.216 nan 8.360 nan 0.000 0.428 338 A N 1.264 124.100 122.820 0.026 0.000 2.359 338 A HA 0.569 4.889 4.320 0.000 0.000 0.303 338 A C -0.968 176.654 177.584 0.063 0.000 1.066 338 A CA -0.569 51.504 52.037 0.061 0.000 0.730 338 A CB 1.104 20.162 19.000 0.097 0.000 1.211 338 A HN 0.282 nan 8.150 nan 0.000 0.439 339 V N 2.592 122.529 119.914 0.039 0.000 2.732 339 V HA 0.856 4.976 4.120 0.000 0.000 0.310 339 V C -0.287 175.848 176.094 0.069 0.000 1.053 339 V CA -0.218 62.050 62.300 -0.055 0.000 0.957 339 V CB 1.078 32.857 31.823 -0.075 0.000 1.018 339 V HN 1.098 nan 8.190 nan 0.000 0.452 340 F N 0.513 120.443 119.950 -0.034 0.000 2.877 340 F HA 0.872 5.399 4.527 0.000 0.000 0.319 340 F C -0.537 175.247 175.800 -0.026 0.000 1.174 340 F CA -0.817 57.166 58.000 -0.028 0.000 0.903 340 F CB 1.311 40.293 39.000 -0.031 0.000 1.357 340 F HN 0.506 nan 8.300 nan 0.000 0.472 341 S N 0.693 116.579 115.700 0.310 0.000 2.661 341 S HA 0.817 5.287 4.470 0.000 0.000 0.285 341 S C -1.511 173.236 174.600 0.244 0.000 1.138 341 S CA -0.915 57.378 58.200 0.154 0.000 0.855 341 S CB 1.981 65.214 63.200 0.055 0.000 1.136 341 S HN 0.761 nan 8.310 nan 0.000 0.484 342 I N 2.561 123.213 120.570 0.137 0.000 2.354 342 I HA 0.566 4.736 4.170 0.000 0.000 0.292 342 I C 0.448 176.600 176.117 0.058 0.000 0.989 342 I CA -0.168 61.200 61.300 0.113 0.000 1.188 342 I CB 0.605 38.659 38.000 0.090 0.000 1.342 342 I HN 1.107 nan 8.210 nan 0.000 0.457 343 T N 2.391 116.971 114.554 0.044 0.000 2.612 343 T HA 0.449 4.799 4.350 0.000 0.000 0.296 343 T C -0.384 174.321 174.700 0.008 0.000 1.148 343 T CA -0.883 61.229 62.100 0.021 0.000 1.077 343 T CB 1.144 70.025 68.868 0.022 0.000 1.591 343 T HN 0.319 nan 8.240 nan 0.000 0.479 344 E N 0.901 121.101 120.200 0.001 0.000 2.392 344 E HA 0.470 4.820 4.350 0.000 0.000 0.256 344 E C 0.102 176.701 176.600 -0.001 0.000 1.145 344 E CA -0.343 56.053 56.400 -0.007 0.000 0.929 344 E CB 0.188 29.883 29.700 -0.009 0.000 0.998 344 E HN 0.785 nan 8.360 nan 0.000 0.442 345 K N -0.208 120.190 120.400 -0.003 0.000 3.553 345 K HA -0.268 4.052 4.320 0.000 0.000 0.303 345 K C 1.005 177.604 176.600 -0.001 0.000 1.327 345 K CA 0.453 56.739 56.287 -0.002 0.000 0.983 345 K CB -1.969 30.529 32.500 -0.003 0.000 1.275 345 K HN 0.875 nan 8.250 nan 0.000 0.453 346 G N 0.878 109.681 108.800 0.005 0.000 2.889 346 G HA2 -0.356 3.604 3.960 0.000 0.000 0.308 346 G HA3 -0.356 3.604 3.960 0.000 0.000 0.308 346 G C 0.128 175.038 174.900 0.016 0.000 1.248 346 G CA 0.424 45.532 45.100 0.014 0.000 0.982 346 G HN 0.216 nan 8.290 nan 0.000 0.571 347 I N 2.116 122.672 120.570 -0.024 0.000 2.392 347 I HA 0.643 4.813 4.170 0.000 0.000 0.295 347 I C 0.125 176.222 176.117 -0.032 0.000 0.985 347 I CA -0.303 60.967 61.300 -0.049 0.000 1.221 347 I CB 1.700 39.542 38.000 -0.262 0.000 1.366 347 I HN 0.692 nan 8.210 nan 0.000 0.467 348 E N 4.947 125.175 120.200 0.047 0.000 2.390 348 E HA 0.238 4.588 4.350 0.000 0.000 0.277 348 E C -1.329 175.334 176.600 0.105 0.000 0.939 348 E CA -0.685 55.742 56.400 0.045 0.000 0.769 348 E CB 2.045 31.769 29.700 0.038 0.000 1.251 348 E HN 0.474 nan 8.360 nan 0.000 0.450 349 D N 0.000 120.443 120.400 0.071 0.000 6.856 349 D HA 0.000 4.640 4.640 0.000 0.000 0.175 349 D CA 0.000 54.053 54.000 0.089 0.000 0.868 349 D CB 0.000 40.829 40.800 0.049 0.000 0.688 349 D HN 0.000 nan 8.370 nan 0.000 0.683