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 1u0r_1_B DATA FIRST_RESID 7 DATA SEQUENCE VLLVVHXXXX XATETARRVE KVLGDNXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXDQHAADGC ELVLVLGGDG TFLRAAELAR NASIPVLGVN DATA SEQUENCE LGRIGFLAEA EAEAIDAVLE HVVAQDYRVE DRLTLDVVVR QGGRIVNRGW DATA SEQUENCE ALNEVSLEKG PRLGVLGVVV EIDGRPVSAF GCDGVLVSTP TGSTAYAFSA DATA SEQUENCE GGPVLWPDLE AILVVPNNAH ALFGRPMVTS PEATIAIEIE ADGHDALVFC DATA SEQUENCE DGRREMLIPA GSRLEVTRCV TSVKWARLDS APFTDRLVRK FRLPVTGWR 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.093 176.094 -0.002 0.000 1.182 7 V CA 0.000 62.307 62.300 0.011 0.000 1.235 7 V CB 0.000 31.834 31.823 0.018 0.000 1.184 8 L N 5.068 126.283 121.223 -0.014 0.000 2.461 8 L HA 0.723 5.063 4.340 -0.000 0.000 0.272 8 L C -0.574 176.280 176.870 -0.027 0.000 1.197 8 L CA 0.254 55.081 54.840 -0.022 0.000 0.836 8 L CB 1.192 43.231 42.059 -0.032 0.000 1.105 8 L HN 0.726 nan 8.230 nan 0.000 0.477 9 L N 5.710 126.919 121.223 -0.023 0.000 2.441 9 L HA 0.572 4.912 4.340 -0.000 0.000 0.270 9 L C -1.418 175.438 176.870 -0.022 0.000 0.973 9 L CA -0.228 54.598 54.840 -0.023 0.000 0.842 9 L CB 1.714 43.766 42.059 -0.012 0.000 1.239 9 L HN 0.355 nan 8.230 nan 0.000 0.406 10 V N 5.773 125.669 119.914 -0.029 0.000 2.417 10 V HA 0.741 4.860 4.120 -0.000 0.000 0.291 10 V C -0.157 175.936 176.094 -0.002 0.000 1.024 10 V CA -0.254 62.034 62.300 -0.021 0.000 0.861 10 V CB 1.833 33.631 31.823 -0.042 0.000 0.985 10 V HN 0.697 nan 8.190 nan 0.000 0.436 11 V N 3.659 123.587 119.914 0.023 0.000 3.046 11 V HA 0.768 4.888 4.120 -0.000 0.000 0.316 11 V C -0.011 176.160 176.094 0.129 0.000 1.104 11 V CA -0.367 61.970 62.300 0.061 0.000 1.006 11 V CB 1.642 33.500 31.823 0.059 0.000 1.058 11 V HN 1.146 nan 8.190 nan 0.000 0.440 19 T N 0.567 115.167 114.554 0.076 0.000 3.258 19 T HA 0.423 4.772 4.350 -0.000 0.000 0.263 19 T C 0.700 175.430 174.700 0.051 0.000 0.983 19 T CA 0.677 62.828 62.100 0.085 0.000 0.907 19 T CB -0.229 68.752 68.868 0.188 0.000 1.096 19 T HN 0.703 nan 8.240 nan 0.000 0.556 20 E N 0.459 120.676 120.200 0.028 0.000 2.476 20 E HA -0.028 4.321 4.350 -0.000 0.000 0.196 20 E C 1.141 177.746 176.600 0.009 0.000 1.029 20 E CA 0.585 56.992 56.400 0.012 0.000 0.896 20 E CB -0.598 29.105 29.700 0.006 0.000 1.012 20 E HN 0.395 nan 8.360 nan 0.000 0.475 21 T N -2.191 112.371 114.554 0.013 0.000 3.155 21 T HA 0.150 4.500 4.350 -0.000 0.000 0.264 21 T C 1.778 176.485 174.700 0.010 0.000 1.160 21 T CA 0.600 62.706 62.100 0.010 0.000 1.075 21 T CB 0.093 68.967 68.868 0.011 0.000 0.921 21 T HN 0.227 nan 8.240 nan 0.000 0.533 22 A N 1.935 124.761 122.820 0.010 0.000 1.972 22 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 22 A C 2.592 180.177 177.584 0.002 0.000 1.169 22 A CA 1.255 53.295 52.037 0.006 0.000 0.635 22 A CB -0.530 18.471 19.000 0.001 0.000 0.810 22 A HN 0.527 nan 8.150 nan 0.000 0.446 23 R N -0.801 119.699 120.500 0.001 0.000 2.062 23 R HA 0.020 4.360 4.340 -0.000 0.000 0.226 23 R C 2.240 178.543 176.300 0.004 0.000 1.125 23 R CA 1.158 57.258 56.100 0.000 0.000 0.966 23 R CB -0.243 30.056 30.300 -0.002 0.000 0.861 23 R HN 0.452 nan 8.270 nan 0.000 0.433 24 R N 0.229 120.733 120.500 0.007 0.000 2.316 24 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 24 R C 1.809 178.117 176.300 0.013 0.000 1.137 24 R CA 0.865 56.971 56.100 0.010 0.000 1.012 24 R CB -0.190 30.116 30.300 0.011 0.000 0.859 24 R HN 0.133 nan 8.270 nan 0.000 0.474 25 V N 0.454 120.375 119.914 0.012 0.000 2.500 25 V HA -0.125 3.995 4.120 -0.000 0.000 0.243 25 V C 1.765 177.867 176.094 0.013 0.000 1.039 25 V CA 1.474 63.783 62.300 0.015 0.000 1.053 25 V CB -0.155 31.675 31.823 0.012 0.000 0.695 25 V HN 0.278 nan 8.190 nan 0.000 0.463 26 E N 0.383 120.588 120.200 0.008 0.000 2.152 26 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 26 E C 2.034 178.638 176.600 0.007 0.000 0.983 26 E CA 0.920 57.324 56.400 0.006 0.000 0.818 26 E CB -0.093 29.608 29.700 0.002 0.000 0.758 26 E HN 0.404 nan 8.360 nan 0.000 0.467 27 K N 1.147 121.552 120.400 0.008 0.000 1.987 27 K HA -0.169 4.150 4.320 -0.000 0.000 0.216 27 K C 1.818 178.425 176.600 0.010 0.000 1.051 27 K CA 1.760 58.051 56.287 0.008 0.000 0.942 27 K CB -0.475 32.030 32.500 0.008 0.000 0.722 27 K HN 0.014 nan 8.250 nan 0.000 0.444 28 V N 0.719 120.642 119.914 0.014 0.000 3.041 28 V HA -0.063 4.057 4.120 -0.000 0.000 0.260 28 V C 2.046 178.151 176.094 0.019 0.000 1.105 28 V CA 0.833 63.144 62.300 0.017 0.000 1.125 28 V CB -0.349 31.488 31.823 0.023 0.000 0.730 28 V HN 0.164 nan 8.190 nan 0.000 0.479 29 L N 1.333 122.567 121.223 0.018 0.000 2.162 29 L HA 0.234 4.574 4.340 -0.000 0.000 0.205 29 L C 2.373 179.252 176.870 0.014 0.000 1.086 29 L CA 1.977 56.829 54.840 0.020 0.000 0.778 29 L CB -1.034 41.036 42.059 0.019 0.000 0.928 29 L HN 0.335 nan 8.230 nan 0.000 0.446 30 G N -1.976 106.831 108.800 0.011 0.000 2.813 30 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.209 30 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.209 30 G C 0.978 175.882 174.900 0.007 0.000 1.150 30 G CA 0.192 45.297 45.100 0.008 0.000 0.785 30 G HN 0.258 nan 8.290 nan 0.000 0.535 31 D N 0.252 120.658 120.400 0.009 0.000 2.269 31 D HA 0.025 4.665 4.640 -0.000 0.000 0.208 31 D C 1.097 177.401 176.300 0.007 0.000 0.963 31 D CA 0.542 54.547 54.000 0.008 0.000 0.864 31 D CB 0.275 41.080 40.800 0.009 0.000 0.936 31 D HN 0.355 nan 8.370 nan 0.000 0.505 70 Q N 2.636 122.468 119.800 0.054 0.000 2.276 70 Q HA 0.360 4.699 4.340 -0.000 0.000 0.267 70 Q C 0.312 176.399 176.000 0.145 0.000 1.135 70 Q CA 0.657 56.501 55.803 0.068 0.000 0.910 70 Q CB 1.032 29.797 28.738 0.045 0.000 1.271 70 Q HN 0.664 nan 8.270 nan 0.000 0.417 71 H N 1.263 120.338 119.070 0.007 0.000 1.798 71 H HA 0.170 4.726 4.556 -0.000 0.000 0.115 71 H C -0.210 175.122 175.328 0.006 0.000 1.261 71 H CA 0.647 56.703 56.048 0.012 0.000 0.454 71 H CB -0.422 29.347 29.762 0.012 0.000 0.320 71 H HN 0.516 nan 8.280 nan 0.000 0.207 72 A N 0.757 123.702 122.820 0.208 0.000 2.574 72 A HA 0.697 5.017 4.320 -0.000 0.000 0.283 72 A C 1.340 178.955 177.584 0.052 0.000 1.270 72 A CA 0.494 52.595 52.037 0.106 0.000 0.945 72 A CB -0.227 18.841 19.000 0.112 0.000 1.127 72 A HN 0.554 nan 8.150 nan 0.000 0.522 73 A N 0.609 123.457 122.820 0.046 0.000 2.277 73 A HA 0.040 4.360 4.320 -0.000 0.000 0.208 73 A C 1.366 178.951 177.584 0.002 0.000 1.202 73 A CA 1.332 53.382 52.037 0.022 0.000 0.762 73 A CB -0.704 18.308 19.000 0.020 0.000 0.770 73 A HN 0.730 nan 8.150 nan 0.000 0.487 74 D N -1.085 119.313 120.400 -0.003 0.000 2.087 74 D HA 0.157 4.797 4.640 -0.000 0.000 0.210 74 D C 1.773 178.067 176.300 -0.011 0.000 0.973 74 D CA 1.013 55.002 54.000 -0.018 0.000 0.882 74 D CB -0.987 39.796 40.800 -0.027 0.000 1.019 74 D HN 0.490 nan 8.370 nan 0.000 0.450 75 G N -0.085 108.711 108.800 -0.006 0.000 2.524 75 G HA2 -0.432 3.527 3.960 -0.000 0.000 0.252 75 G HA3 -0.432 3.527 3.960 -0.000 0.000 0.252 75 G C 0.784 175.683 174.900 -0.002 0.000 0.990 75 G CA 1.167 46.265 45.100 -0.003 0.000 0.653 75 G HN 0.699 nan 8.290 nan 0.000 0.576 76 C N -0.093 119.204 119.300 -0.004 0.000 2.638 76 C HA 0.655 5.115 4.460 -0.000 0.000 0.348 76 C C 2.179 177.173 174.990 0.006 0.000 1.860 76 C CA 0.809 59.827 59.018 0.000 0.000 1.955 76 C CB 1.009 28.747 27.740 -0.003 0.000 1.922 76 C HN 0.697 nan 8.230 nan 0.000 0.519 77 E N 0.111 120.321 120.200 0.017 0.000 2.372 77 E HA 0.347 4.697 4.350 -0.000 0.000 0.201 77 E C -0.200 176.429 176.600 0.048 0.000 0.938 77 E CA 0.016 56.436 56.400 0.033 0.000 0.944 77 E CB 0.146 29.871 29.700 0.042 0.000 0.937 77 E HN 0.431 nan 8.360 nan 0.000 0.495 78 L N 0.405 121.650 121.223 0.037 0.000 2.424 78 L HA 0.569 4.908 4.340 -0.000 0.000 0.258 78 L C -1.690 175.164 176.870 -0.027 0.000 0.995 78 L CA -1.181 53.672 54.840 0.022 0.000 0.821 78 L CB 2.483 44.585 42.059 0.072 0.000 1.383 78 L HN -0.098 nan 8.230 nan 0.000 0.410 79 V N 4.036 123.905 119.914 -0.076 0.000 2.459 79 V HA 0.559 4.679 4.120 -0.000 0.000 0.295 79 V C -0.732 175.289 176.094 -0.122 0.000 1.029 79 V CA -0.516 61.721 62.300 -0.106 0.000 0.874 79 V CB 1.473 33.201 31.823 -0.158 0.000 0.985 79 V HN 0.655 nan 8.190 nan 0.000 0.438 80 L N 6.655 127.825 121.223 -0.088 0.000 2.341 80 L HA 0.749 5.088 4.340 -0.000 0.000 0.278 80 L C -0.565 176.264 176.870 -0.069 0.000 1.005 80 L CA -0.096 54.699 54.840 -0.075 0.000 0.818 80 L CB 1.891 43.927 42.059 -0.038 0.000 1.259 80 L HN 0.444 nan 8.230 nan 0.000 0.418 81 V N 6.215 126.092 119.914 -0.062 0.000 2.448 81 V HA 0.473 4.593 4.120 -0.000 0.000 0.295 81 V C -0.329 175.768 176.094 0.005 0.000 1.025 81 V CA -0.577 61.700 62.300 -0.037 0.000 0.859 81 V CB 1.488 33.275 31.823 -0.061 0.000 0.988 81 V HN 0.595 nan 8.190 nan 0.000 0.431 82 L N 5.100 126.330 121.223 0.010 0.000 2.295 82 L HA 0.962 5.301 4.340 -0.000 0.000 0.281 82 L C 0.654 177.540 176.870 0.026 0.000 1.018 82 L CA 0.135 54.987 54.840 0.020 0.000 0.841 82 L CB 0.902 42.973 42.059 0.020 0.000 1.218 82 L HN 0.899 nan 8.230 nan 0.000 0.424 83 G N 1.488 110.300 108.800 0.019 0.000 2.399 83 G HA2 0.455 4.414 3.960 -0.000 0.000 0.256 83 G HA3 0.455 4.414 3.960 -0.000 0.000 0.256 83 G C -0.959 173.942 174.900 0.002 0.000 1.236 83 G CA -0.084 45.020 45.100 0.006 0.000 0.914 83 G HN 0.670 nan 8.290 nan 0.000 0.482 84 G N -1.217 107.581 108.800 -0.003 0.000 2.557 84 G HA2 0.465 4.425 3.960 -0.000 0.000 0.302 84 G HA3 0.465 4.425 3.960 -0.000 0.000 0.302 84 G C 0.276 175.197 174.900 0.035 0.000 1.311 84 G CA 0.618 45.714 45.100 -0.006 0.000 1.030 84 G HN 0.393 nan 8.290 nan 0.000 0.509 85 D N -0.401 120.012 120.400 0.022 0.000 2.158 85 D HA -0.093 4.547 4.640 -0.000 0.000 0.197 85 D C 2.539 178.897 176.300 0.096 0.000 0.995 85 D CA 1.868 55.902 54.000 0.057 0.000 0.846 85 D CB -0.266 40.563 40.800 0.049 0.000 0.941 85 D HN 0.397 nan 8.370 nan 0.000 0.456 86 G N -0.686 108.145 108.800 0.052 0.000 2.402 86 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.216 86 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.216 86 G C 1.670 176.599 174.900 0.048 0.000 1.162 86 G CA 1.428 46.552 45.100 0.039 0.000 0.777 86 G HN 0.257 nan 8.290 nan 0.000 0.539 87 T N 0.938 115.518 114.554 0.044 0.000 2.684 87 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 87 T C 1.966 176.695 174.700 0.048 0.000 1.036 87 T CA 1.164 63.284 62.100 0.034 0.000 1.148 87 T CB -0.420 68.464 68.868 0.026 0.000 0.863 87 T HN 0.213 nan 8.240 nan 0.000 0.436 88 F N 1.966 121.880 119.950 -0.060 0.000 2.065 88 F HA -0.160 4.367 4.527 -0.000 0.000 0.298 88 F C 1.992 177.747 175.800 -0.075 0.000 1.112 88 F CA 1.333 59.274 58.000 -0.098 0.000 1.212 88 F CB -0.499 38.425 39.000 -0.126 0.000 0.975 88 F HN 0.029 nan 8.300 nan 0.000 0.476 89 L N -0.243 121.110 121.223 0.218 0.000 2.129 89 L HA -0.262 4.078 4.340 -0.000 0.000 0.212 89 L C 2.683 179.565 176.870 0.019 0.000 1.087 89 L CA 1.299 56.217 54.840 0.130 0.000 0.757 89 L CB -0.841 41.280 42.059 0.103 0.000 0.896 89 L HN 0.111 nan 8.230 nan 0.000 0.434 90 R N 0.416 120.910 120.500 -0.009 0.000 2.066 90 R HA -0.115 4.225 4.340 -0.000 0.000 0.232 90 R C 2.329 178.593 176.300 -0.060 0.000 1.131 90 R CA 1.591 57.677 56.100 -0.023 0.000 0.955 90 R CB -0.390 29.900 30.300 -0.017 0.000 0.851 90 R HN 0.376 nan 8.270 nan 0.000 0.432 91 A N 0.892 123.624 122.820 -0.147 0.000 1.858 91 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 91 A C 2.395 179.834 177.584 -0.242 0.000 1.190 91 A CA 2.053 53.958 52.037 -0.220 0.000 0.617 91 A CB -0.900 17.894 19.000 -0.344 0.000 0.827 91 A HN 0.460 nan 8.150 nan 0.000 0.443 92 A N -0.620 121.996 122.820 -0.340 0.000 1.915 92 A HA -0.285 4.035 4.320 -0.000 0.000 0.220 92 A C 2.002 179.621 177.584 0.057 0.000 1.198 92 A CA 2.706 54.629 52.037 -0.189 0.000 0.647 92 A CB -1.242 17.717 19.000 -0.067 0.000 0.825 92 A HN 0.595 nan 8.150 nan 0.000 0.456 93 E N -0.487 119.838 120.200 0.209 0.000 2.113 93 E HA -0.267 4.082 4.350 -0.000 0.000 0.210 93 E C 2.003 178.663 176.600 0.101 0.000 1.040 93 E CA 1.893 58.482 56.400 0.315 0.000 0.847 93 E CB -0.716 29.081 29.700 0.161 0.000 0.755 93 E HN 0.654 nan 8.360 nan 0.000 0.459 94 L N -0.517 120.706 121.223 -0.001 0.000 2.044 94 L HA 0.089 4.429 4.340 -0.000 0.000 0.205 94 L C 2.877 179.698 176.870 -0.083 0.000 1.075 94 L CA 1.194 56.006 54.840 -0.046 0.000 0.747 94 L CB -0.605 41.423 42.059 -0.052 0.000 0.903 94 L HN 0.357 nan 8.230 nan 0.000 0.435 95 A N -0.014 122.735 122.820 -0.118 0.000 2.178 95 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 95 A C 2.283 179.778 177.584 -0.148 0.000 1.157 95 A CA 1.400 53.356 52.037 -0.135 0.000 0.689 95 A CB -0.487 18.404 19.000 -0.181 0.000 0.787 95 A HN 0.283 nan 8.150 nan 0.000 0.465 96 R N 1.373 121.763 120.500 -0.184 0.000 2.064 96 R HA -0.107 4.233 4.340 -0.000 0.000 0.228 96 R C 1.883 178.036 176.300 -0.245 0.000 1.144 96 R CA 2.173 58.087 56.100 -0.311 0.000 0.932 96 R CB -0.584 29.391 30.300 -0.541 0.000 0.833 96 R HN 0.620 nan 8.270 nan 0.000 0.429 97 N N 0.623 119.212 118.700 -0.186 0.000 2.069 97 N HA -0.141 4.598 4.740 -0.000 0.000 0.191 97 N C 0.360 175.813 175.510 -0.094 0.000 1.031 97 N CA 1.620 54.589 53.050 -0.134 0.000 0.852 97 N CB -0.459 37.971 38.487 -0.095 0.000 1.018 97 N HN 0.308 nan 8.380 nan 0.000 0.423 98 A N 1.144 123.918 122.820 -0.076 0.000 3.290 98 A HA 0.298 4.618 4.320 -0.000 0.000 0.297 98 A C 0.334 177.883 177.584 -0.059 0.000 1.285 98 A CA -0.488 51.516 52.037 -0.055 0.000 1.060 98 A CB -0.694 18.286 19.000 -0.034 0.000 1.114 98 A HN 0.251 nan 8.150 nan 0.000 0.601 99 S N 0.224 115.877 115.700 -0.079 0.000 3.641 99 S HA -0.138 4.332 4.470 -0.000 0.000 0.153 99 S C 0.165 174.742 174.600 -0.039 0.000 0.390 99 S CA 1.232 59.391 58.200 -0.069 0.000 1.397 99 S CB -2.038 61.129 63.200 -0.055 0.000 1.210 99 S HN 1.248 nan 8.310 nan 0.000 0.278 100 I N -1.989 118.554 120.570 -0.045 0.000 3.002 100 I HA 0.812 4.982 4.170 -0.000 0.000 0.310 100 I C -2.870 173.229 176.117 -0.030 0.000 1.087 100 I CA -3.790 57.499 61.300 -0.018 0.000 1.017 100 I CB 1.396 39.386 38.000 -0.016 0.000 1.226 100 I HN 0.022 nan 8.210 nan 0.000 0.443 101 P HA 0.193 nan 4.420 nan 0.000 0.270 101 P C -0.971 176.257 177.300 -0.121 0.000 1.223 101 P CA -0.149 62.941 63.100 -0.016 0.000 0.785 101 P CB 0.671 32.400 31.700 0.049 0.000 0.923 102 V N 1.952 121.749 119.914 -0.196 0.000 2.680 102 V HA 0.589 4.709 4.120 -0.000 0.000 0.309 102 V C -0.310 175.657 176.094 -0.211 0.000 1.052 102 V CA -0.636 61.462 62.300 -0.337 0.000 0.908 102 V CB 1.736 33.103 31.823 -0.760 0.000 1.001 102 V HN 0.343 nan 8.190 nan 0.000 0.431 103 L N 2.330 123.450 121.223 -0.171 0.000 2.393 103 L HA 1.015 5.355 4.340 -0.000 0.000 0.260 103 L C -0.044 176.851 176.870 0.041 0.000 1.002 103 L CA 0.059 54.873 54.840 -0.044 0.000 0.818 103 L CB 2.349 44.320 42.059 -0.148 0.000 1.369 103 L HN 0.855 nan 8.230 nan 0.000 0.412 104 G N 2.466 111.343 108.800 0.128 0.000 2.687 104 G HA2 0.614 4.573 3.960 -0.000 0.000 0.301 104 G HA3 0.614 4.573 3.960 -0.000 0.000 0.301 104 G C -2.017 172.917 174.900 0.056 0.000 1.416 104 G CA -0.472 44.725 45.100 0.161 0.000 1.005 104 G HN 0.497 nan 8.290 nan 0.000 0.509 105 V N 2.217 122.152 119.914 0.036 0.000 2.409 105 V HA 0.354 4.474 4.120 -0.000 0.000 0.291 105 V C -0.285 175.809 176.094 0.001 0.000 1.020 105 V CA -1.458 60.847 62.300 0.008 0.000 0.848 105 V CB 1.606 33.432 31.823 0.005 0.000 0.990 105 V HN 0.659 nan 8.190 nan 0.000 0.430 106 N N 3.943 122.631 118.700 -0.019 0.000 2.400 106 N HA 0.288 5.028 4.740 -0.000 0.000 0.267 106 N C 0.515 176.006 175.510 -0.031 0.000 1.208 106 N CA 0.191 53.220 53.050 -0.035 0.000 0.951 106 N CB 0.891 39.340 38.487 -0.064 0.000 1.227 106 N HN 0.651 nan 8.380 nan 0.000 0.488 107 L N 1.823 123.031 121.223 -0.024 0.000 2.038 107 L HA 0.153 4.493 4.340 -0.000 0.000 0.205 107 L C 2.262 179.109 176.870 -0.038 0.000 1.151 107 L CA 0.864 55.691 54.840 -0.023 0.000 0.799 107 L CB -0.956 41.098 42.059 -0.010 0.000 0.926 107 L HN 0.519 nan 8.230 nan 0.000 0.457 108 G N 0.007 108.779 108.800 -0.046 0.000 2.808 108 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.211 108 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.211 108 G C 1.114 175.975 174.900 -0.065 0.000 1.364 108 G CA 0.317 45.384 45.100 -0.055 0.000 0.824 108 G HN 0.076 nan 8.290 nan 0.000 0.630 109 R N -0.731 119.724 120.500 -0.076 0.000 2.523 109 R HA 0.534 4.873 4.340 -0.000 0.000 0.223 109 R C -0.714 175.513 176.300 -0.122 0.000 1.280 109 R CA -0.586 55.457 56.100 -0.095 0.000 1.047 109 R CB -0.000 30.243 30.300 -0.095 0.000 1.650 109 R HN 0.233 nan 8.270 nan 0.000 0.545 110 I N 0.542 121.012 120.570 -0.167 0.000 2.411 110 I HA 0.319 4.489 4.170 -0.000 0.000 0.284 110 I C 0.646 176.568 176.117 -0.324 0.000 1.012 110 I CA -0.085 61.076 61.300 -0.233 0.000 1.119 110 I CB 1.747 39.595 38.000 -0.253 0.000 1.261 110 I HN 0.625 nan 8.210 nan 0.000 0.448 111 G N 3.272 111.884 108.800 -0.315 0.000 3.135 111 G HA2 0.509 4.469 3.960 -0.000 0.000 0.159 111 G HA3 0.509 4.469 3.960 -0.000 0.000 0.159 111 G C -0.173 174.418 174.900 -0.515 0.000 1.244 111 G CA -0.078 44.818 45.100 -0.341 0.000 0.965 111 G HN 0.345 nan 8.290 nan 0.000 0.599 112 F N -1.162 118.707 119.950 -0.136 0.000 2.747 112 F HA 0.356 4.883 4.527 -0.000 0.000 0.305 112 F C 2.136 177.900 175.800 -0.060 0.000 1.065 112 F CA 0.054 57.992 58.000 -0.102 0.000 1.230 112 F CB 0.412 39.376 39.000 -0.060 0.000 1.027 112 F HN 0.078 nan 8.300 nan 0.000 0.607 113 L N -0.607 120.633 121.223 0.028 0.000 2.298 113 L HA 0.355 4.694 4.340 -0.000 0.000 0.209 113 L C 1.298 177.978 176.870 -0.316 0.000 1.084 113 L CA 0.106 54.840 54.840 -0.177 0.000 0.816 113 L CB -0.649 40.995 42.059 -0.691 0.000 0.967 113 L HN -0.062 nan 8.230 nan 0.000 0.460 114 A N 0.516 123.215 122.820 -0.201 0.000 2.462 114 A HA 0.108 4.428 4.320 -0.000 0.000 0.243 114 A C 0.866 178.427 177.584 -0.037 0.000 1.076 114 A CA -0.091 51.887 52.037 -0.099 0.000 0.773 114 A CB 0.242 19.209 19.000 -0.055 0.000 1.010 114 A HN 0.240 nan 8.150 nan 0.000 0.493 115 E N -0.095 120.105 120.200 0.001 0.000 2.481 115 E HA 0.372 4.721 4.350 -0.000 0.000 0.198 115 E C 0.042 176.633 176.600 -0.015 0.000 1.027 115 E CA 0.689 57.099 56.400 0.017 0.000 0.900 115 E CB 0.564 30.293 29.700 0.049 0.000 0.993 115 E HN 0.745 nan 8.360 nan 0.000 0.482 116 A N 0.766 123.571 122.820 -0.025 0.000 2.605 116 A HA 0.428 4.748 4.320 -0.000 0.000 0.294 116 A C -0.913 176.652 177.584 -0.033 0.000 1.062 116 A CA -0.727 51.292 52.037 -0.031 0.000 0.682 116 A CB 1.512 20.495 19.000 -0.029 0.000 1.278 116 A HN -0.035 nan 8.150 nan 0.000 0.410 117 E N 0.345 120.524 120.200 -0.034 0.000 2.369 117 E HA 0.589 4.939 4.350 -0.000 0.000 0.255 117 E C 1.282 177.869 176.600 -0.021 0.000 1.172 117 E CA 0.759 57.138 56.400 -0.035 0.000 0.932 117 E CB 1.059 30.737 29.700 -0.037 0.000 1.040 117 E HN 0.858 nan 8.360 nan 0.000 0.454 118 A N 1.839 124.647 122.820 -0.020 0.000 1.855 118 A HA -0.120 4.199 4.320 -0.000 0.000 0.215 118 A C 1.458 179.038 177.584 -0.005 0.000 1.191 118 A CA 1.376 53.406 52.037 -0.010 0.000 0.613 118 A CB -0.618 18.375 19.000 -0.011 0.000 0.829 118 A HN 0.675 nan 8.150 nan 0.000 0.442 119 E N -0.378 119.816 120.200 -0.009 0.000 2.453 119 E HA 0.163 4.513 4.350 -0.000 0.000 0.207 119 E C 0.496 177.096 176.600 0.001 0.000 1.212 119 E CA 0.657 57.054 56.400 -0.004 0.000 0.959 119 E CB -0.323 29.373 29.700 -0.008 0.000 0.957 119 E HN 0.536 nan 8.360 nan 0.000 0.540 120 A N -0.343 122.479 122.820 0.003 0.000 2.524 120 A HA 0.174 4.494 4.320 -0.000 0.000 0.267 120 A C 1.101 178.696 177.584 0.018 0.000 0.881 120 A CA -0.445 51.599 52.037 0.011 0.000 1.077 120 A CB -0.126 18.878 19.000 0.007 0.000 1.220 120 A HN 0.233 nan 8.150 nan 0.000 0.488 121 I N 0.636 121.216 120.570 0.017 0.000 2.361 121 I HA -0.163 4.007 4.170 -0.000 0.000 0.251 121 I C 1.417 177.555 176.117 0.036 0.000 1.133 121 I CA 2.219 63.532 61.300 0.022 0.000 1.413 121 I CB -0.182 37.828 38.000 0.016 0.000 1.073 121 I HN 0.418 nan 8.210 nan 0.000 0.424 122 D N 1.261 121.683 120.400 0.038 0.000 2.077 122 D HA -0.094 4.546 4.640 -0.000 0.000 0.196 122 D C 2.234 178.578 176.300 0.074 0.000 0.986 122 D CA 1.554 55.583 54.000 0.047 0.000 0.829 122 D CB -0.727 40.094 40.800 0.037 0.000 0.983 122 D HN 0.378 nan 8.370 nan 0.000 0.453 123 A N 0.400 123.268 122.820 0.079 0.000 2.194 123 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 123 A C 2.126 179.834 177.584 0.206 0.000 1.162 123 A CA 1.052 53.166 52.037 0.129 0.000 0.674 123 A CB -0.581 18.479 19.000 0.099 0.000 0.789 123 A HN 0.184 nan 8.150 nan 0.000 0.470 124 V N -0.992 119.000 119.914 0.130 0.000 2.492 124 V HA -0.083 4.037 4.120 -0.000 0.000 0.241 124 V C 2.393 178.589 176.094 0.170 0.000 1.041 124 V CA 1.235 63.608 62.300 0.122 0.000 1.057 124 V CB -0.544 31.307 31.823 0.047 0.000 0.711 124 V HN 0.547 nan 8.190 nan 0.000 0.468 125 L N -0.019 121.275 121.223 0.118 0.000 2.012 125 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 125 L C 2.520 179.460 176.870 0.117 0.000 1.073 125 L CA 1.866 56.767 54.840 0.102 0.000 0.748 125 L CB -0.561 41.536 42.059 0.065 0.000 0.891 125 L HN 0.338 nan 8.230 nan 0.000 0.431 126 E N -0.695 119.569 120.200 0.107 0.000 2.164 126 E HA -0.292 4.058 4.350 -0.000 0.000 0.206 126 E C 2.114 178.731 176.600 0.028 0.000 1.032 126 E CA 1.769 58.198 56.400 0.048 0.000 0.832 126 E CB -0.041 29.671 29.700 0.020 0.000 0.742 126 E HN 0.532 nan 8.360 nan 0.000 0.460 127 H N -1.475 117.652 119.070 0.096 0.000 2.448 127 H HA 0.007 4.563 4.556 -0.000 0.000 0.292 127 H C 2.167 177.635 175.328 0.232 0.000 1.035 127 H CA 1.102 57.242 56.048 0.153 0.000 1.349 127 H CB 0.304 30.185 29.762 0.199 0.000 1.425 127 H HN 0.097 nan 8.280 nan 0.000 0.539 128 V N 1.031 121.138 119.914 0.321 0.000 2.295 128 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 128 V C 2.765 178.968 176.094 0.181 0.000 1.049 128 V CA 1.386 63.860 62.300 0.289 0.000 1.024 128 V CB -0.715 31.209 31.823 0.169 0.000 0.648 128 V HN 0.165 nan 8.190 nan 0.000 0.447 129 V N 0.924 120.901 119.914 0.106 0.000 2.233 129 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 129 V C 2.731 178.835 176.094 0.017 0.000 1.050 129 V CA 2.179 64.508 62.300 0.049 0.000 1.010 129 V CB -1.571 30.268 31.823 0.026 0.000 0.637 129 V HN 0.538 nan 8.190 nan 0.000 0.444 130 A N -1.791 121.028 122.820 -0.002 0.000 2.125 130 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 130 A C 1.623 179.148 177.584 -0.098 0.000 1.156 130 A CA 1.310 53.314 52.037 -0.054 0.000 0.671 130 A CB -0.446 18.495 19.000 -0.098 0.000 0.794 130 A HN 0.658 nan 8.150 nan 0.000 0.459 131 Q N -1.514 118.209 119.800 -0.128 0.000 2.406 131 Q HA -0.243 4.097 4.340 -0.000 0.000 0.236 131 Q C 0.376 176.032 176.000 -0.574 0.000 0.799 131 Q CA 1.410 57.010 55.803 -0.337 0.000 1.286 131 Q CB -1.426 27.204 28.738 -0.180 0.000 1.615 131 Q HN 1.029 nan 8.270 nan 0.000 0.621 132 D N -0.925 119.244 120.400 -0.386 0.000 2.346 132 D HA -0.060 4.579 4.640 -0.000 0.000 0.206 132 D C 0.721 176.958 176.300 -0.105 0.000 1.001 132 D CA 0.177 54.062 54.000 -0.192 0.000 0.871 132 D CB -0.551 40.212 40.800 -0.061 0.000 0.943 132 D HN 0.430 nan 8.370 nan 0.000 0.518 133 Y N 0.542 120.926 120.300 0.141 0.000 2.578 133 Y HA 0.292 4.842 4.550 -0.000 0.000 0.339 133 Y C 0.847 176.804 175.900 0.095 0.000 1.231 133 Y CA -1.283 56.895 58.100 0.130 0.000 1.461 133 Y CB 0.226 38.755 38.460 0.115 0.000 1.323 133 Y HN -0.329 nan 8.280 nan 0.000 0.590 134 R N 2.399 123.063 120.500 0.274 0.000 2.347 134 R HA 0.310 4.650 4.340 -0.000 0.000 0.304 134 R C -1.329 175.136 176.300 0.275 0.000 1.072 134 R CA -0.398 55.826 56.100 0.207 0.000 0.980 134 R CB 0.810 31.193 30.300 0.137 0.000 0.986 134 R HN 0.728 nan 8.270 nan 0.000 0.448 135 V N 5.416 125.484 119.914 0.257 0.000 2.385 135 V HA 0.096 4.216 4.120 -0.000 0.000 0.269 135 V C 0.241 176.444 176.094 0.181 0.000 1.043 135 V CA -0.393 62.058 62.300 0.252 0.000 0.906 135 V CB 1.123 33.096 31.823 0.249 0.000 0.995 135 V HN 0.699 nan 8.190 nan 0.000 0.467 136 E N 2.841 123.156 120.200 0.191 0.000 2.133 136 E HA 0.436 4.785 4.350 -0.000 0.000 0.274 136 E C -0.929 175.762 176.600 0.151 0.000 0.930 136 E CA -0.889 55.591 56.400 0.133 0.000 0.770 136 E CB 1.415 31.159 29.700 0.073 0.000 1.104 136 E HN 0.482 nan 8.360 nan 0.000 0.403 137 D N 2.169 122.636 120.400 0.111 0.000 2.488 137 D HA 0.072 4.712 4.640 -0.000 0.000 0.238 137 D C -0.653 175.688 176.300 0.068 0.000 1.138 137 D CA 0.471 54.536 54.000 0.108 0.000 0.873 137 D CB 0.603 41.444 40.800 0.069 0.000 1.183 137 D HN 0.367 nan 8.370 nan 0.000 0.458 138 R N 2.536 123.102 120.500 0.110 0.000 2.575 138 R HA 0.338 4.678 4.340 -0.000 0.000 0.293 138 R C -1.259 175.092 176.300 0.084 0.000 0.983 138 R CA -0.908 55.207 56.100 0.025 0.000 0.887 138 R CB 0.735 30.950 30.300 -0.142 0.000 1.184 138 R HN 0.305 nan 8.270 nan 0.000 0.445 139 L N 3.268 124.512 121.223 0.035 0.000 2.706 139 L HA 0.085 4.425 4.340 -0.000 0.000 0.282 139 L C -0.838 176.100 176.870 0.113 0.000 1.219 139 L CA 1.694 56.568 54.840 0.057 0.000 0.935 139 L CB -0.222 41.851 42.059 0.024 0.000 1.204 139 L HN 0.738 nan 8.230 nan 0.000 0.491 140 T N 6.455 121.085 114.554 0.128 0.000 2.856 140 T HA 0.584 4.934 4.350 -0.000 0.000 0.283 140 T C -0.159 174.638 174.700 0.162 0.000 1.008 140 T CA -0.561 61.650 62.100 0.186 0.000 0.997 140 T CB 1.157 70.146 68.868 0.203 0.000 0.992 140 T HN 0.496 nan 8.240 nan 0.000 0.454 141 L N 2.785 124.121 121.223 0.189 0.000 2.307 141 L HA 0.540 4.880 4.340 -0.000 0.000 0.282 141 L C -0.078 176.901 176.870 0.181 0.000 1.051 141 L CA -0.690 54.239 54.840 0.148 0.000 0.804 141 L CB 1.343 43.471 42.059 0.115 0.000 1.197 141 L HN 0.602 nan 8.230 nan 0.000 0.431 142 D N 1.863 122.345 120.400 0.135 0.000 2.217 142 D HA 0.500 5.140 4.640 -0.000 0.000 0.243 142 D C -1.359 175.000 176.300 0.098 0.000 1.054 142 D CA -0.299 53.782 54.000 0.135 0.000 0.838 142 D CB 2.110 42.969 40.800 0.099 0.000 1.162 142 D HN 0.176 nan 8.370 nan 0.000 0.472 143 V N 5.203 125.175 119.914 0.096 0.000 2.638 143 V HA 0.706 4.826 4.120 -0.000 0.000 0.306 143 V C -0.877 175.247 176.094 0.050 0.000 1.052 143 V CA -0.475 61.862 62.300 0.060 0.000 0.885 143 V CB 1.583 33.431 31.823 0.043 0.000 0.999 143 V HN 0.530 nan 8.190 nan 0.000 0.424 144 V N 5.170 125.105 119.914 0.036 0.000 2.960 144 V HA 0.937 5.057 4.120 -0.000 0.000 0.315 144 V C -1.144 174.959 176.094 0.015 0.000 1.087 144 V CA -0.543 61.773 62.300 0.027 0.000 0.982 144 V CB 2.166 34.005 31.823 0.027 0.000 1.039 144 V HN 0.723 nan 8.190 nan 0.000 0.437 145 V N 3.461 123.381 119.914 0.009 0.000 2.623 145 V HA 0.724 4.844 4.120 -0.000 0.000 0.304 145 V C -0.317 175.778 176.094 0.002 0.000 1.054 145 V CA -0.550 61.750 62.300 0.001 0.000 0.882 145 V CB 1.741 33.560 31.823 -0.006 0.000 1.002 145 V HN 1.189 nan 8.190 nan 0.000 0.424 146 R N 3.651 124.151 120.500 -0.000 0.000 2.514 146 R HA 0.688 5.027 4.340 -0.000 0.000 0.296 146 R C -1.192 175.106 176.300 -0.003 0.000 1.012 146 R CA -0.556 55.545 56.100 0.000 0.000 0.897 146 R CB 2.049 32.350 30.300 0.002 0.000 1.184 146 R HN 0.738 nan 8.270 nan 0.000 0.440 147 Q N 2.478 122.277 119.800 -0.002 0.000 2.309 147 Q HA 0.448 4.788 4.340 -0.000 0.000 0.264 147 Q C 0.132 176.130 176.000 -0.003 0.000 1.008 147 Q CA 0.325 56.126 55.803 -0.004 0.000 0.853 147 Q CB 1.864 30.600 28.738 -0.004 0.000 1.314 147 Q HN 0.931 nan 8.270 nan 0.000 0.448 148 G N 2.426 111.224 108.800 -0.004 0.000 2.421 148 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.300 148 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.300 148 G C 0.812 175.711 174.900 -0.002 0.000 0.974 148 G CA 0.811 45.908 45.100 -0.003 0.000 1.062 148 G HN 1.662 nan 8.290 nan 0.000 0.514 149 G N -1.329 107.471 108.800 -0.002 0.000 2.212 149 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.266 149 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.266 149 G C 0.569 175.470 174.900 0.002 0.000 0.978 149 G CA 1.162 46.262 45.100 -0.000 0.000 0.632 149 G HN 1.156 nan 8.290 nan 0.000 0.537 150 R N 0.345 120.846 120.500 0.002 0.000 2.445 150 R HA 0.587 4.927 4.340 -0.000 0.000 0.308 150 R C 0.135 176.438 176.300 0.004 0.000 0.961 150 R CA -0.977 55.125 56.100 0.003 0.000 0.862 150 R CB 0.568 30.870 30.300 0.003 0.000 1.144 150 R HN 0.222 nan 8.270 nan 0.000 0.447 151 I N 5.274 125.848 120.570 0.007 0.000 2.581 151 I HA -0.085 4.085 4.170 -0.000 0.000 0.285 151 I C 1.648 177.770 176.117 0.008 0.000 1.129 151 I CA 0.117 61.423 61.300 0.009 0.000 1.397 151 I CB 1.064 39.071 38.000 0.013 0.000 1.399 151 I HN 0.501 nan 8.210 nan 0.000 0.537 152 V N 2.228 122.146 119.914 0.006 0.000 3.661 152 V HA 0.412 4.532 4.120 -0.000 0.000 0.271 152 V C 0.426 176.524 176.094 0.006 0.000 1.315 152 V CA 0.299 62.602 62.300 0.005 0.000 1.072 152 V CB 0.055 31.879 31.823 0.001 0.000 0.830 152 V HN 0.814 nan 8.190 nan 0.000 0.443 153 N N 0.920 119.625 118.700 0.008 0.000 2.961 153 N HA 0.579 5.319 4.740 -0.000 0.000 0.245 153 N C -1.430 174.091 175.510 0.017 0.000 1.404 153 N CA -0.339 52.716 53.050 0.009 0.000 0.880 153 N CB 2.885 41.370 38.487 -0.003 0.000 1.461 153 N HN 0.596 nan 8.380 nan 0.000 0.510 154 R N 0.105 120.621 120.500 0.027 0.000 2.634 154 R HA 0.743 5.083 4.340 -0.000 0.000 0.263 154 R C -1.316 175.026 176.300 0.071 0.000 1.060 154 R CA -0.579 55.550 56.100 0.047 0.000 0.898 154 R CB 0.700 31.032 30.300 0.053 0.000 1.253 154 R HN 0.647 nan 8.270 nan 0.000 0.461 155 G N 1.616 110.473 108.800 0.095 0.000 2.645 155 G HA2 0.645 4.605 3.960 -0.000 0.000 0.292 155 G HA3 0.645 4.605 3.960 -0.000 0.000 0.292 155 G C -2.027 173.001 174.900 0.213 0.000 1.415 155 G CA -0.511 44.661 45.100 0.121 0.000 0.785 155 G HN 0.750 nan 8.290 nan 0.000 0.483 156 W N -0.912 120.403 121.300 0.025 0.000 3.118 156 W HA 0.833 5.492 4.660 -0.000 0.000 0.328 156 W C -1.016 175.532 176.519 0.048 0.000 1.239 156 W CA -1.265 56.100 57.345 0.034 0.000 1.176 156 W CB 1.292 30.769 29.460 0.028 0.000 1.433 156 W HN 1.370 nan 8.180 nan 0.000 0.562 157 A N 2.789 125.678 122.820 0.115 0.000 2.539 157 A HA 0.644 4.963 4.320 -0.000 0.000 0.296 157 A C -0.471 177.250 177.584 0.228 0.000 1.073 157 A CA -0.487 51.506 52.037 -0.074 0.000 0.700 157 A CB 1.742 20.710 19.000 -0.054 0.000 1.296 157 A HN 1.242 nan 8.150 nan 0.000 0.405 158 L N -1.022 120.327 121.223 0.210 0.000 2.664 158 L HA 0.467 4.807 4.340 -0.000 0.000 0.233 158 L C 0.585 177.581 176.870 0.210 0.000 1.113 158 L CA 0.549 55.572 54.840 0.304 0.000 0.896 158 L CB 0.181 42.515 42.059 0.459 0.000 1.163 158 L HN 0.546 nan 8.230 nan 0.000 0.497 159 N N 0.477 119.260 118.700 0.137 0.000 2.684 159 N HA 0.182 4.922 4.740 -0.000 0.000 0.220 159 N C -0.780 174.778 175.510 0.081 0.000 1.037 159 N CA 0.623 53.736 53.050 0.105 0.000 0.975 159 N CB 0.601 39.148 38.487 0.100 0.000 1.426 159 N HN 0.449 nan 8.380 nan 0.000 0.450 160 E N -0.650 119.591 120.200 0.069 0.000 2.347 160 E HA 0.387 4.737 4.350 -0.000 0.000 0.285 160 E C -1.605 175.035 176.600 0.067 0.000 0.925 160 E CA -0.486 55.963 56.400 0.081 0.000 0.779 160 E CB 2.882 32.657 29.700 0.125 0.000 1.233 160 E HN -0.245 nan 8.360 nan 0.000 0.414 161 V N 2.069 122.023 119.914 0.068 0.000 2.350 161 V HA 0.401 4.520 4.120 -0.000 0.000 0.276 161 V C -0.374 175.778 176.094 0.097 0.000 1.028 161 V CA -0.411 61.928 62.300 0.064 0.000 0.860 161 V CB 1.528 33.378 31.823 0.045 0.000 0.990 161 V HN 0.708 nan 8.190 nan 0.000 0.453 162 S N 6.421 122.208 115.700 0.146 0.000 2.475 162 S HA 0.427 4.897 4.470 -0.000 0.000 0.249 162 S C -0.555 174.154 174.600 0.181 0.000 1.298 162 S CA -0.589 57.735 58.200 0.207 0.000 1.125 162 S CB 0.058 63.461 63.200 0.338 0.000 1.054 162 S HN 0.622 nan 8.310 nan 0.000 0.484 163 L N 4.335 125.624 121.223 0.110 0.000 2.453 163 L HA 0.498 4.838 4.340 -0.000 0.000 0.272 163 L C -0.188 176.753 176.870 0.119 0.000 1.182 163 L CA 1.039 55.925 54.840 0.077 0.000 0.858 163 L CB 0.462 42.551 42.059 0.049 0.000 1.120 163 L HN 0.605 nan 8.230 nan 0.000 0.474 164 E N 3.668 123.932 120.200 0.106 0.000 2.352 164 E HA 0.214 4.564 4.350 -0.000 0.000 0.280 164 E C -1.263 175.401 176.600 0.106 0.000 0.930 164 E CA -1.151 55.338 56.400 0.148 0.000 0.765 164 E CB 1.754 31.606 29.700 0.254 0.000 1.219 164 E HN 0.508 nan 8.360 nan 0.000 0.434 165 K N 0.591 121.057 120.400 0.109 0.000 2.599 165 K HA -0.162 4.157 4.320 -0.000 0.000 0.275 165 K C 0.904 177.551 176.600 0.079 0.000 0.983 165 K CA 0.928 57.270 56.287 0.092 0.000 1.076 165 K CB 0.344 32.899 32.500 0.092 0.000 0.822 165 K HN 0.708 nan 8.250 nan 0.000 0.485 166 G N 4.394 113.234 108.800 0.066 0.000 2.648 166 G HA2 0.043 4.003 3.960 -0.000 0.000 0.217 166 G HA3 0.043 4.003 3.960 -0.000 0.000 0.217 166 G C -1.697 173.212 174.900 0.015 0.000 1.386 166 G CA -0.220 44.905 45.100 0.042 0.000 0.920 166 G HN 0.547 nan 8.290 nan 0.000 0.540 167 P HA 0.129 nan 4.420 nan 0.000 0.266 167 P C 0.557 177.842 177.300 -0.026 0.000 1.186 167 P CA -0.123 62.928 63.100 -0.082 0.000 0.767 167 P CB 0.614 32.184 31.700 -0.216 0.000 0.820 168 R N 1.376 121.863 120.500 -0.022 0.000 2.148 168 R HA 0.052 4.392 4.340 -0.000 0.000 0.223 168 R C 0.720 177.018 176.300 -0.003 0.000 1.088 168 R CA 0.955 57.054 56.100 -0.000 0.000 0.985 168 R CB -0.826 29.473 30.300 -0.002 0.000 0.880 168 R HN 0.510 nan 8.270 nan 0.000 0.451 169 L N -2.288 118.922 121.223 -0.021 0.000 2.341 169 L HA 0.795 5.135 4.340 -0.000 0.000 0.278 169 L C 0.099 176.967 176.870 -0.003 0.000 1.005 169 L CA -0.375 54.459 54.840 -0.011 0.000 0.818 169 L CB 1.779 43.830 42.059 -0.013 0.000 1.259 169 L HN 0.281 nan 8.230 nan 0.000 0.418 170 G N 1.608 110.418 108.800 0.017 0.000 2.343 170 G HA2 0.158 4.117 3.960 -0.000 0.000 0.562 170 G HA3 0.158 4.117 3.960 -0.000 0.000 0.562 170 G C -1.886 173.045 174.900 0.052 0.000 1.269 170 G CA -0.190 44.936 45.100 0.044 0.000 1.011 170 G HN 0.715 nan 8.290 nan 0.000 0.498 171 V N -0.052 119.904 119.914 0.071 0.000 3.102 171 V HA 0.784 4.903 4.120 -0.000 0.000 0.312 171 V C -0.272 175.877 176.094 0.093 0.000 1.135 171 V CA -0.940 61.404 62.300 0.073 0.000 1.022 171 V CB 2.031 33.886 31.823 0.053 0.000 1.056 171 V HN 0.864 nan 8.190 nan 0.000 0.436 172 L N 2.516 123.798 121.223 0.098 0.000 2.265 172 L HA 0.637 4.977 4.340 -0.000 0.000 0.289 172 L C 0.632 177.545 176.870 0.072 0.000 1.033 172 L CA -0.294 54.596 54.840 0.084 0.000 0.814 172 L CB 1.073 43.184 42.059 0.087 0.000 1.203 172 L HN 0.835 nan 8.230 nan 0.000 0.423 173 G N 3.788 112.609 108.800 0.034 0.000 2.442 173 G HA2 0.453 4.413 3.960 -0.000 0.000 0.249 173 G HA3 0.453 4.413 3.960 -0.000 0.000 0.249 173 G C -0.961 173.916 174.900 -0.037 0.000 1.263 173 G CA -0.163 44.939 45.100 0.003 0.000 0.846 173 G HN 0.420 nan 8.290 nan 0.000 0.555 174 V N 1.955 121.801 119.914 -0.113 0.000 2.924 174 V HA 0.324 4.443 4.120 -0.000 0.000 0.300 174 V C -0.758 175.165 176.094 -0.285 0.000 1.227 174 V CA -0.616 61.582 62.300 -0.170 0.000 0.954 174 V CB 2.463 34.175 31.823 -0.184 0.000 1.055 174 V HN 0.619 nan 8.190 nan 0.000 0.429 175 V N 5.571 125.363 119.914 -0.203 0.000 2.357 175 V HA 0.498 4.618 4.120 -0.000 0.000 0.284 175 V C -0.164 175.833 176.094 -0.163 0.000 1.018 175 V CA -0.560 61.619 62.300 -0.201 0.000 0.841 175 V CB 1.862 33.616 31.823 -0.115 0.000 0.991 175 V HN 0.595 nan 8.190 nan 0.000 0.437 176 V N 4.775 124.579 119.914 -0.183 0.000 2.509 176 V HA 0.492 4.612 4.120 -0.000 0.000 0.284 176 V C 0.062 176.139 176.094 -0.028 0.000 1.047 176 V CA -0.343 61.910 62.300 -0.078 0.000 0.952 176 V CB 1.618 33.424 31.823 -0.028 0.000 0.988 176 V HN 0.931 nan 8.190 nan 0.000 0.469 177 E N 3.543 123.739 120.200 -0.006 0.000 2.314 177 E HA 0.661 5.011 4.350 -0.000 0.000 0.272 177 E C -1.875 174.734 176.600 0.016 0.000 0.884 177 E CA -0.723 55.678 56.400 0.002 0.000 0.753 177 E CB 2.444 32.139 29.700 -0.008 0.000 1.213 177 E HN 0.602 nan 8.360 nan 0.000 0.432 178 I N 3.348 123.930 120.570 0.019 0.000 2.512 178 I HA 0.151 4.321 4.170 -0.000 0.000 0.287 178 I C -0.818 175.310 176.117 0.017 0.000 1.069 178 I CA -0.330 60.985 61.300 0.024 0.000 1.056 178 I CB 1.822 39.844 38.000 0.037 0.000 1.229 178 I HN 0.598 nan 8.210 nan 0.000 0.429 179 D N 5.791 126.200 120.400 0.016 0.000 2.692 179 D HA -0.206 4.433 4.640 -0.000 0.000 0.233 179 D C 1.081 177.386 176.300 0.008 0.000 1.172 179 D CA 1.710 55.717 54.000 0.012 0.000 0.636 179 D CB -0.613 40.195 40.800 0.013 0.000 1.028 179 D HN 1.162 nan 8.370 nan 0.000 0.419 180 G N -0.573 108.231 108.800 0.007 0.000 2.159 180 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.256 180 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.256 180 G C 0.200 175.101 174.900 0.001 0.000 0.977 180 G CA 0.334 45.435 45.100 0.003 0.000 0.652 180 G HN 0.408 nan 8.290 nan 0.000 0.531 181 R N -0.071 120.430 120.500 0.002 0.000 2.725 181 R HA 0.521 4.861 4.340 -0.000 0.000 0.277 181 R C -2.845 173.455 176.300 0.000 0.000 0.987 181 R CA -1.957 54.142 56.100 -0.001 0.000 0.901 181 R CB 2.187 32.486 30.300 -0.001 0.000 1.207 181 R HN 0.156 nan 8.270 nan 0.000 0.463 182 P HA 0.089 nan 4.420 nan 0.000 0.275 182 P C 0.151 177.453 177.300 0.003 0.000 1.227 182 P CA -0.169 62.927 63.100 -0.007 0.000 0.781 182 P CB 1.610 33.300 31.700 -0.017 0.000 0.906 183 V N 1.439 121.365 119.914 0.021 0.000 3.484 183 V HA 0.238 4.358 4.120 -0.000 0.000 0.252 183 V C 0.203 176.347 176.094 0.083 0.000 1.282 183 V CA 0.858 63.188 62.300 0.050 0.000 1.104 183 V CB 0.447 32.331 31.823 0.101 0.000 0.868 183 V HN 0.644 nan 8.190 nan 0.000 0.457 184 S N -0.374 115.364 115.700 0.064 0.000 2.578 184 S HA 0.744 5.213 4.470 -0.000 0.000 0.285 184 S C -0.925 173.595 174.600 -0.134 0.000 1.126 184 S CA 0.094 58.350 58.200 0.094 0.000 0.878 184 S CB 1.614 65.045 63.200 0.385 0.000 1.091 184 S HN 0.714 nan 8.310 nan 0.000 0.450 185 A N 2.623 125.386 122.820 -0.094 0.000 2.343 185 A HA 1.010 5.329 4.320 -0.000 0.000 0.316 185 A C -0.954 176.585 177.584 -0.075 0.000 1.104 185 A CA -0.590 51.328 52.037 -0.199 0.000 0.768 185 A CB 0.285 19.245 19.000 -0.067 0.000 1.213 185 A HN 1.278 nan 8.150 nan 0.000 0.456 186 F N -0.322 119.657 119.950 0.049 0.000 2.842 186 F HA 0.724 5.251 4.527 -0.000 0.000 0.319 186 F C -0.047 175.785 175.800 0.054 0.000 1.159 186 F CA -0.853 57.182 58.000 0.057 0.000 0.902 186 F CB 0.492 39.529 39.000 0.062 0.000 1.311 186 F HN 0.831 nan 8.300 nan 0.000 0.453 187 G N -0.582 108.467 108.800 0.416 0.000 2.410 187 G HA2 0.741 4.701 3.960 -0.000 0.000 0.330 187 G HA3 0.741 4.701 3.960 -0.000 0.000 0.330 187 G C -0.967 174.140 174.900 0.345 0.000 1.142 187 G CA -0.291 44.980 45.100 0.284 0.000 0.902 187 G HN 1.829 nan 8.290 nan 0.000 0.491 188 C N -0.574 118.875 119.300 0.248 0.000 3.249 188 C HA 0.551 5.011 4.460 -0.000 0.000 0.350 188 C C 0.228 175.296 174.990 0.131 0.000 1.431 188 C CA -0.729 58.403 59.018 0.189 0.000 1.209 188 C CB 1.138 29.059 27.740 0.302 0.000 1.546 188 C HN 0.502 nan 8.230 nan 0.000 0.450 189 D N 0.352 120.809 120.400 0.095 0.000 2.271 189 D HA 0.445 5.085 4.640 -0.000 0.000 0.206 189 D C 1.001 177.369 176.300 0.113 0.000 0.967 189 D CA 2.210 56.266 54.000 0.093 0.000 0.867 189 D CB 0.590 41.436 40.800 0.078 0.000 0.960 189 D HN 1.227 nan 8.370 nan 0.000 0.509 190 G N -1.433 107.436 108.800 0.116 0.000 2.325 190 G HA2 0.384 4.344 3.960 -0.000 0.000 0.295 190 G HA3 0.384 4.344 3.960 -0.000 0.000 0.295 190 G C -1.913 173.058 174.900 0.119 0.000 1.274 190 G CA -0.542 44.631 45.100 0.122 0.000 0.857 190 G HN -0.071 nan 8.290 nan 0.000 0.499 191 V N 0.742 120.716 119.914 0.100 0.000 2.686 191 V HA 0.584 4.704 4.120 -0.000 0.000 0.306 191 V C -0.770 175.358 176.094 0.056 0.000 1.065 191 V CA -0.870 61.480 62.300 0.083 0.000 0.894 191 V CB 1.779 33.661 31.823 0.099 0.000 1.004 191 V HN 0.656 nan 8.190 nan 0.000 0.424 192 L N 4.689 125.921 121.223 0.015 0.000 2.282 192 L HA 0.583 4.922 4.340 -0.000 0.000 0.288 192 L C -0.252 176.634 176.870 0.026 0.000 1.033 192 L CA -0.224 54.626 54.840 0.017 0.000 0.807 192 L CB 1.700 43.725 42.059 -0.056 0.000 1.209 192 L HN 0.412 nan 8.230 nan 0.000 0.423 193 V N 3.131 123.071 119.914 0.044 0.000 2.357 193 V HA 0.496 4.616 4.120 -0.000 0.000 0.284 193 V C 0.208 176.329 176.094 0.045 0.000 1.018 193 V CA -0.302 62.022 62.300 0.040 0.000 0.841 193 V CB 1.652 33.501 31.823 0.043 0.000 0.991 193 V HN 0.887 nan 8.190 nan 0.000 0.437 194 S N 3.526 119.248 115.700 0.037 0.000 2.599 194 S HA 0.663 5.133 4.470 -0.000 0.000 0.294 194 S C -0.264 174.357 174.600 0.035 0.000 1.094 194 S CA -0.343 57.881 58.200 0.041 0.000 0.931 194 S CB 2.214 65.434 63.200 0.034 0.000 1.093 194 S HN 0.670 nan 8.310 nan 0.000 0.488 195 T N 3.454 118.031 114.554 0.038 0.000 2.918 195 T HA 0.423 4.773 4.350 -0.000 0.000 0.283 195 T C -1.843 172.851 174.700 -0.009 0.000 1.001 195 T CA -1.540 60.577 62.100 0.028 0.000 1.041 195 T CB 1.264 70.168 68.868 0.060 0.000 1.028 195 T HN 0.431 nan 8.240 nan 0.000 0.511 196 P HA -0.057 nan 4.420 nan 0.000 0.219 196 P C 1.324 178.523 177.300 -0.168 0.000 1.146 196 P CA 1.075 64.115 63.100 -0.100 0.000 0.808 196 P CB 0.028 31.658 31.700 -0.117 0.000 0.779 197 T N -1.771 112.705 114.554 -0.130 0.000 2.821 197 T HA -0.048 4.302 4.350 -0.000 0.000 0.267 197 T C 1.957 176.603 174.700 -0.091 0.000 1.046 197 T CA 1.589 63.609 62.100 -0.133 0.000 1.139 197 T CB -1.017 67.835 68.868 -0.027 0.000 0.871 197 T HN 0.190 nan 8.240 nan 0.000 0.454 198 G N 1.168 109.952 108.800 -0.027 0.000 2.880 198 G HA2 0.004 3.963 3.960 -0.000 0.000 0.209 198 G HA3 0.004 3.963 3.960 -0.000 0.000 0.209 198 G C 1.535 176.439 174.900 0.006 0.000 1.157 198 G CA 0.577 45.685 45.100 0.013 0.000 0.779 198 G HN 0.574 nan 8.290 nan 0.000 0.539 199 S N -0.867 114.813 115.700 -0.033 0.000 2.603 199 S HA 0.036 4.506 4.470 -0.000 0.000 0.229 199 S C 1.670 176.293 174.600 0.039 0.000 0.972 199 S CA 1.434 59.638 58.200 0.006 0.000 0.935 199 S CB -0.034 63.158 63.200 -0.014 0.000 0.769 199 S HN 0.094 nan 8.310 nan 0.000 0.536 200 T N -0.019 114.500 114.554 -0.058 0.000 2.959 200 T HA 0.595 4.945 4.350 -0.000 0.000 0.254 200 T C 1.150 175.836 174.700 -0.023 0.000 1.003 200 T CA 0.413 62.408 62.100 -0.174 0.000 0.950 200 T CB 0.113 68.592 68.868 -0.648 0.000 1.090 200 T HN 0.560 nan 8.240 nan 0.000 0.503 201 A N 0.398 123.256 122.820 0.064 0.000 3.754 201 A HA 0.375 4.694 4.320 -0.000 0.000 0.165 201 A C 1.397 179.150 177.584 0.282 0.000 1.775 201 A CA 0.126 52.256 52.037 0.155 0.000 1.457 201 A CB -1.177 17.898 19.000 0.125 0.000 1.597 201 A HN 0.301 nan 8.150 nan 0.000 0.658 202 Y N 0.413 120.768 120.300 0.092 0.000 2.128 202 Y HA -0.159 4.391 4.550 -0.000 0.000 0.284 202 Y C 2.751 178.705 175.900 0.089 0.000 1.154 202 Y CA 1.500 59.650 58.100 0.083 0.000 1.149 202 Y CB -1.081 37.405 38.460 0.043 0.000 0.976 202 Y HN 0.418 nan 8.280 nan 0.000 0.505 203 A N -0.560 122.302 122.820 0.069 0.000 2.024 203 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 203 A C 2.248 179.829 177.584 -0.006 0.000 1.164 203 A CA 1.568 53.570 52.037 -0.058 0.000 0.643 203 A CB -1.557 17.441 19.000 -0.002 0.000 0.806 203 A HN 0.599 nan 8.150 nan 0.000 0.451 204 F N 1.274 121.210 119.950 -0.023 0.000 2.146 204 F HA -0.130 4.397 4.527 -0.000 0.000 0.298 204 F C 2.472 178.251 175.800 -0.036 0.000 1.096 204 F CA 1.854 59.842 58.000 -0.020 0.000 1.275 204 F CB -0.285 38.735 39.000 0.033 0.000 1.008 204 F HN 0.203 nan 8.300 nan 0.000 0.480 205 S N 0.872 116.650 115.700 0.129 0.000 2.370 205 S HA -0.184 4.286 4.470 -0.000 0.000 0.226 205 S C 2.185 176.690 174.600 -0.159 0.000 1.033 205 S CA 1.070 59.287 58.200 0.028 0.000 1.011 205 S CB -1.001 62.345 63.200 0.243 0.000 0.852 205 S HN 0.515 nan 8.310 nan 0.000 0.457 206 A N 0.527 123.193 122.820 -0.257 0.000 2.259 206 A HA 0.376 4.695 4.320 -0.000 0.000 0.212 206 A C 1.689 179.115 177.584 -0.263 0.000 1.178 206 A CA 1.098 52.954 52.037 -0.302 0.000 0.734 206 A CB -0.925 17.829 19.000 -0.410 0.000 0.774 206 A HN 1.074 nan 8.150 nan 0.000 0.481 207 G N -2.703 105.909 108.800 -0.315 0.000 2.138 207 G HA2 0.054 4.014 3.960 -0.000 0.000 0.193 207 G HA3 0.054 4.014 3.960 -0.000 0.000 0.193 207 G C 0.626 175.351 174.900 -0.293 0.000 0.998 207 G CA 0.130 45.027 45.100 -0.338 0.000 0.668 207 G HN 1.297 nan 8.290 nan 0.000 0.516 208 G N 0.015 108.667 108.800 -0.246 0.000 2.588 208 G HA2 0.720 4.679 3.960 -0.000 0.000 0.281 208 G HA3 0.720 4.679 3.960 -0.000 0.000 0.281 208 G C -1.578 173.268 174.900 -0.091 0.000 1.236 208 G CA -0.420 44.596 45.100 -0.140 0.000 0.969 208 G HN 0.300 nan 8.290 nan 0.000 0.504 209 P HA 0.353 nan 4.420 nan 0.000 0.280 209 P C -0.617 176.773 177.300 0.150 0.000 1.272 209 P CA -0.489 62.649 63.100 0.064 0.000 0.819 209 P CB 1.782 33.514 31.700 0.053 0.000 1.122 210 V N 1.788 121.835 119.914 0.221 0.000 2.394 210 V HA 0.379 4.498 4.120 -0.000 0.000 0.282 210 V C -0.973 175.271 176.094 0.250 0.000 1.031 210 V CA -0.659 61.775 62.300 0.223 0.000 0.881 210 V CB 0.301 32.258 31.823 0.222 0.000 0.982 210 V HN 0.210 nan 8.190 nan 0.000 0.451 211 L N 7.952 129.238 121.223 0.105 0.000 2.287 211 L HA 0.494 4.834 4.340 -0.000 0.000 0.287 211 L C 0.093 176.901 176.870 -0.103 0.000 1.022 211 L CA -0.229 54.670 54.840 0.099 0.000 0.814 211 L CB 1.389 43.450 42.059 0.005 0.000 1.217 211 L HN 0.693 nan 8.230 nan 0.000 0.420 212 W N 5.002 126.098 121.300 -0.340 0.000 2.209 212 W HA 0.054 4.714 4.660 0.000 0.000 0.344 212 W C -1.353 174.796 176.519 -0.617 0.000 1.285 212 W CA -0.895 56.046 57.345 -0.673 0.000 1.267 212 W CB 0.794 30.086 29.460 -0.280 0.000 1.167 212 W HN 0.486 nan 8.180 nan 0.000 0.574 213 P HA -0.118 nan 4.420 nan 0.000 0.231 213 P C 0.676 177.807 177.300 -0.281 0.000 1.168 213 P CA 1.376 64.185 63.100 -0.484 0.000 0.779 213 P CB 0.051 31.433 31.700 -0.531 0.000 0.844 214 D N -0.913 119.383 120.400 -0.173 0.000 2.340 214 D HA 0.026 4.666 4.640 -0.000 0.000 0.217 214 D C 0.545 176.804 176.300 -0.068 0.000 1.081 214 D CA -0.246 53.688 54.000 -0.109 0.000 0.842 214 D CB -0.104 40.663 40.800 -0.055 0.000 0.934 214 D HN 0.161 nan 8.370 nan 0.000 0.511 215 L N 0.669 121.854 121.223 -0.064 0.000 2.421 215 L HA 0.311 4.651 4.340 -0.000 0.000 0.263 215 L C -0.339 176.506 176.870 -0.042 0.000 1.122 215 L CA -0.305 54.513 54.840 -0.037 0.000 0.804 215 L CB 1.211 43.261 42.059 -0.015 0.000 1.150 215 L HN -0.170 nan 8.230 nan 0.000 0.457 216 E N 4.372 124.557 120.200 -0.025 0.000 2.073 216 E HA 0.634 4.984 4.350 -0.000 0.000 0.269 216 E C -0.987 175.610 176.600 -0.006 0.000 0.917 216 E CA -0.503 55.887 56.400 -0.016 0.000 0.757 216 E CB 1.319 31.013 29.700 -0.010 0.000 1.111 216 E HN 0.785 nan 8.360 nan 0.000 0.410 217 A N 3.404 126.222 122.820 -0.003 0.000 2.610 217 A HA 0.637 4.956 4.320 -0.000 0.000 0.291 217 A C -1.175 176.416 177.584 0.011 0.000 1.086 217 A CA -0.722 51.319 52.037 0.006 0.000 0.677 217 A CB 1.092 20.096 19.000 0.006 0.000 1.278 217 A HN 0.506 nan 8.150 nan 0.000 0.414 218 I N 1.099 121.680 120.570 0.018 0.000 2.377 218 I HA 0.426 4.596 4.170 -0.000 0.000 0.293 218 I C -0.816 175.314 176.117 0.023 0.000 0.987 218 I CA -0.734 60.581 61.300 0.024 0.000 1.185 218 I CB 1.670 39.688 38.000 0.030 0.000 1.341 218 I HN 0.555 nan 8.210 nan 0.000 0.455 219 L N 8.465 129.700 121.223 0.021 0.000 2.307 219 L HA 0.616 4.955 4.340 -0.000 0.000 0.284 219 L C -0.734 176.145 176.870 0.015 0.000 1.023 219 L CA -0.445 54.404 54.840 0.016 0.000 0.810 219 L CB 1.673 43.739 42.059 0.011 0.000 1.231 219 L HN 0.287 nan 8.230 nan 0.000 0.423 220 V N 5.599 125.519 119.914 0.011 0.000 2.409 220 V HA 0.557 4.677 4.120 -0.000 0.000 0.291 220 V C -0.545 175.536 176.094 -0.022 0.000 1.020 220 V CA -0.720 61.586 62.300 0.010 0.000 0.848 220 V CB 1.673 33.516 31.823 0.032 0.000 0.990 220 V HN 0.488 nan 8.190 nan 0.000 0.430 221 V N 6.845 126.734 119.914 -0.040 0.000 2.349 221 V HA 0.377 4.497 4.120 -0.000 0.000 0.284 221 V C -2.520 173.522 176.094 -0.086 0.000 1.014 221 V CA -1.944 60.300 62.300 -0.092 0.000 0.826 221 V CB 1.862 33.613 31.823 -0.120 0.000 1.009 221 V HN 0.717 nan 8.190 nan 0.000 0.431 222 P HA 0.117 nan 4.420 nan 0.000 0.271 222 P C -0.437 176.782 177.300 -0.136 0.000 1.216 222 P CA 0.041 63.106 63.100 -0.059 0.000 0.771 222 P CB 0.365 31.948 31.700 -0.194 0.000 0.864 223 N N 3.497 122.151 118.700 -0.077 0.000 2.462 223 N HA 0.072 4.812 4.740 -0.000 0.000 0.242 223 N C -0.572 174.891 175.510 -0.078 0.000 1.010 223 N CA -0.374 52.611 53.050 -0.109 0.000 0.939 223 N CB -0.398 38.037 38.487 -0.088 0.000 1.127 223 N HN 0.248 nan 8.380 nan 0.000 0.509 224 N N 1.322 119.953 118.700 -0.114 0.000 2.696 224 N HA -0.192 4.548 4.740 -0.000 0.000 0.256 224 N C -1.176 174.281 175.510 -0.089 0.000 1.031 224 N CA 0.756 53.756 53.050 -0.083 0.000 0.730 224 N CB -1.057 37.415 38.487 -0.025 0.000 0.894 224 N HN 0.643 nan 8.380 nan 0.000 0.544 225 A N 0.681 123.365 122.820 -0.226 0.000 2.328 225 A HA 0.232 4.552 4.320 -0.000 0.000 0.284 225 A C 0.437 177.909 177.584 -0.187 0.000 1.160 225 A CA -0.382 51.443 52.037 -0.353 0.000 0.818 225 A CB 0.391 18.765 19.000 -1.043 0.000 1.087 225 A HN 0.465 nan 8.150 nan 0.000 0.504 226 H N 1.972 120.966 119.070 -0.127 0.000 3.092 226 H HA 0.478 5.034 4.556 -0.000 0.000 0.263 226 H C -0.004 175.292 175.328 -0.052 0.000 1.611 226 H CA 0.845 56.855 56.048 -0.064 0.000 1.457 226 H CB -0.226 29.537 29.762 0.002 0.000 1.731 226 H HN 0.852 nan 8.280 nan 0.000 0.532 227 A N 3.448 126.120 122.820 -0.247 0.000 2.544 227 A HA 0.136 4.456 4.320 -0.000 0.000 0.291 227 A C -0.686 176.815 177.584 -0.140 0.000 1.055 227 A CA -0.667 51.281 52.037 -0.148 0.000 0.651 227 A CB 0.493 19.450 19.000 -0.070 0.000 1.296 227 A HN 0.427 nan 8.150 nan 0.000 0.431 228 L N -0.182 121.021 121.223 -0.033 0.000 2.270 228 L HA 0.336 4.676 4.340 -0.000 0.000 0.210 228 L C 0.411 177.313 176.870 0.054 0.000 1.104 228 L CA 1.636 56.469 54.840 -0.012 0.000 0.804 228 L CB -0.437 41.633 42.059 0.019 0.000 0.937 228 L HN 0.645 nan 8.230 nan 0.000 0.450 229 F N -0.688 119.211 119.950 -0.085 0.000 2.382 229 F HA 0.614 5.140 4.527 -0.000 0.000 0.361 229 F C 0.721 176.443 175.800 -0.129 0.000 1.109 229 F CA -0.832 57.125 58.000 -0.072 0.000 1.031 229 F CB 1.208 40.197 39.000 -0.017 0.000 1.234 229 F HN -0.114 nan 8.300 nan 0.000 0.445 230 G N 5.939 114.415 108.800 -0.541 0.000 4.100 230 G HA2 0.148 4.108 3.960 -0.000 0.000 0.294 230 G HA3 0.148 4.108 3.960 -0.000 0.000 0.294 230 G C 0.036 174.563 174.900 -0.623 0.000 1.040 230 G CA -0.511 44.223 45.100 -0.610 0.000 0.829 230 G HN 0.398 nan 8.290 nan 0.000 0.505 231 R N 1.069 121.017 120.500 -0.920 0.000 2.537 231 R HA 0.183 4.523 4.340 -0.000 0.000 0.280 231 R C -2.535 173.482 176.300 -0.471 0.000 1.058 231 R CA -1.243 54.498 56.100 -0.599 0.000 1.057 231 R CB 0.486 30.485 30.300 -0.501 0.000 0.973 231 R HN 0.081 nan 8.270 nan 0.000 0.438 232 P HA 0.063 nan 4.420 nan 0.000 0.269 232 P C -0.475 176.779 177.300 -0.078 0.000 1.209 232 P CA 0.465 63.478 63.100 -0.146 0.000 0.776 232 P CB 0.586 32.221 31.700 -0.108 0.000 0.876 233 M N 1.483 121.069 119.600 -0.023 0.000 2.530 233 M HA 0.492 4.972 4.480 -0.000 0.000 0.307 233 M C -1.022 175.297 176.300 0.031 0.000 1.161 233 M CA -0.848 54.475 55.300 0.038 0.000 0.903 233 M CB 2.395 35.046 32.600 0.086 0.000 1.711 233 M HN -0.042 nan 8.290 nan 0.000 0.451 234 V N 0.360 120.297 119.914 0.037 0.000 2.823 234 V HA 0.807 4.927 4.120 -0.000 0.000 0.312 234 V C -0.515 175.597 176.094 0.030 0.000 1.072 234 V CA -0.578 61.740 62.300 0.030 0.000 0.937 234 V CB 2.222 34.060 31.823 0.025 0.000 1.013 234 V HN 0.896 nan 8.190 nan 0.000 0.430 235 T N 1.470 116.040 114.554 0.026 0.000 2.923 235 T HA 0.427 4.777 4.350 -0.000 0.000 0.311 235 T C -0.238 174.474 174.700 0.020 0.000 1.183 235 T CA -0.270 61.846 62.100 0.025 0.000 1.020 235 T CB 1.807 70.693 68.868 0.030 0.000 1.165 235 T HN 1.139 nan 8.240 nan 0.000 0.482 236 S N 3.298 119.008 115.700 0.017 0.000 2.566 236 S HA 0.163 4.633 4.470 -0.000 0.000 0.280 236 S C -1.714 172.896 174.600 0.016 0.000 1.343 236 S CA -0.525 57.684 58.200 0.014 0.000 1.036 236 S CB 0.463 63.670 63.200 0.012 0.000 0.866 236 S HN 0.436 nan 8.310 nan 0.000 0.526 237 P HA 0.005 nan 4.420 nan 0.000 0.222 237 P C 0.682 177.994 177.300 0.020 0.000 1.147 237 P CA 0.905 64.016 63.100 0.018 0.000 0.790 237 P CB -0.015 31.693 31.700 0.014 0.000 0.780 238 E N -0.684 119.526 120.200 0.017 0.000 2.516 238 E HA 0.087 4.437 4.350 -0.000 0.000 0.199 238 E C 0.902 177.513 176.600 0.019 0.000 1.069 238 E CA 0.063 56.474 56.400 0.017 0.000 0.876 238 E CB -0.533 29.176 29.700 0.014 0.000 0.843 238 E HN 0.212 nan 8.360 nan 0.000 0.530 239 A N -0.088 122.744 122.820 0.021 0.000 2.257 239 A HA 0.508 4.828 4.320 -0.000 0.000 0.289 239 A C 0.079 177.677 177.584 0.024 0.000 1.095 239 A CA -0.383 51.667 52.037 0.021 0.000 0.836 239 A CB 0.816 19.829 19.000 0.022 0.000 1.111 239 A HN 0.039 nan 8.150 nan 0.000 0.497 240 T N 2.281 116.848 114.554 0.022 0.000 2.809 240 T HA 0.420 4.770 4.350 -0.000 0.000 0.296 240 T C -0.319 174.395 174.700 0.023 0.000 1.015 240 T CA -0.170 61.944 62.100 0.022 0.000 0.954 240 T CB 0.154 69.033 68.868 0.019 0.000 0.950 240 T HN 0.375 nan 8.240 nan 0.000 0.450 241 I N 3.361 123.947 120.570 0.026 0.000 2.352 241 I HA 0.561 4.730 4.170 -0.000 0.000 0.290 241 I C 0.547 176.676 176.117 0.020 0.000 1.036 241 I CA -0.854 60.462 61.300 0.026 0.000 1.336 241 I CB 0.124 38.143 38.000 0.031 0.000 1.407 241 I HN 0.613 nan 8.210 nan 0.000 0.497 242 A N 8.007 130.834 122.820 0.012 0.000 2.355 242 A HA 0.869 5.189 4.320 -0.000 0.000 0.317 242 A C -0.555 177.025 177.584 -0.006 0.000 1.094 242 A CA -0.528 51.512 52.037 0.005 0.000 0.764 242 A CB 1.197 20.198 19.000 0.001 0.000 1.230 242 A HN 0.618 nan 8.150 nan 0.000 0.448 243 I N 1.142 121.706 120.570 -0.010 0.000 2.474 243 I HA 0.360 4.529 4.170 -0.000 0.000 0.294 243 I C -0.157 175.941 176.117 -0.031 0.000 1.005 243 I CA -0.202 61.083 61.300 -0.026 0.000 1.113 243 I CB 2.204 40.195 38.000 -0.015 0.000 1.289 243 I HN 0.675 nan 8.210 nan 0.000 0.436 244 E N 6.030 126.200 120.200 -0.050 0.000 2.101 244 E HA 0.340 4.690 4.350 -0.000 0.000 0.260 244 E C -0.701 175.869 176.600 -0.049 0.000 0.897 244 E CA -0.840 55.534 56.400 -0.044 0.000 0.744 244 E CB 1.188 30.860 29.700 -0.046 0.000 1.140 244 E HN 0.334 nan 8.360 nan 0.000 0.419 245 I N 2.698 123.247 120.570 -0.034 0.000 2.752 245 I HA -0.096 4.074 4.170 -0.000 0.000 0.289 245 I C 1.060 177.158 176.117 -0.032 0.000 1.197 245 I CA 0.519 61.802 61.300 -0.028 0.000 1.432 245 I CB -0.106 37.885 38.000 -0.016 0.000 1.359 245 I HN 0.602 nan 8.210 nan 0.000 0.571 246 E N 4.117 124.297 120.200 -0.034 0.000 2.558 246 E HA -0.007 4.343 4.350 -0.000 0.000 0.255 246 E C 0.924 177.499 176.600 -0.042 0.000 0.968 246 E CA 0.201 56.577 56.400 -0.040 0.000 0.939 246 E CB 0.777 30.451 29.700 -0.042 0.000 0.921 246 E HN 0.712 nan 8.360 nan 0.000 0.477 247 A N 4.846 127.642 122.820 -0.040 0.000 1.873 247 A HA -0.187 4.133 4.320 -0.000 0.000 0.215 247 A C 1.576 179.130 177.584 -0.050 0.000 1.186 247 A CA 1.550 53.565 52.037 -0.037 0.000 0.616 247 A CB -0.127 18.855 19.000 -0.030 0.000 0.823 247 A HN 0.715 nan 8.150 nan 0.000 0.442 248 D N -0.147 120.217 120.400 -0.060 0.000 2.269 248 D HA 0.056 4.696 4.640 -0.000 0.000 0.208 248 D C 1.373 177.588 176.300 -0.142 0.000 0.963 248 D CA 0.956 54.907 54.000 -0.080 0.000 0.864 248 D CB -0.394 40.366 40.800 -0.067 0.000 0.936 248 D HN 0.417 nan 8.370 nan 0.000 0.505 249 G N -0.440 108.264 108.800 -0.159 0.000 2.516 249 G HA2 0.108 4.068 3.960 -0.000 0.000 0.276 249 G HA3 0.108 4.068 3.960 -0.000 0.000 0.276 249 G C 0.135 174.844 174.900 -0.319 0.000 1.390 249 G CA -0.479 44.440 45.100 -0.301 0.000 1.050 249 G HN 0.140 nan 8.290 nan 0.000 0.519 250 H N -0.591 118.480 119.070 0.002 0.000 2.544 250 H HA 0.241 4.797 4.556 -0.000 0.000 0.365 250 H C -0.421 174.906 175.328 -0.002 0.000 1.268 250 H CA -0.404 55.644 56.048 0.001 0.000 1.400 250 H CB 0.491 30.256 29.762 0.004 0.000 1.538 250 H HN 0.350 nan 8.280 nan 0.000 0.597 251 D N -0.554 119.920 120.400 0.124 0.000 2.354 251 D HA 0.413 5.053 4.640 -0.000 0.000 0.238 251 D C 0.038 176.369 176.300 0.052 0.000 1.250 251 D CA 0.227 54.261 54.000 0.056 0.000 0.911 251 D CB 0.623 41.443 40.800 0.034 0.000 1.163 251 D HN 0.687 nan 8.370 nan 0.000 0.456 252 A N -0.037 122.792 122.820 0.016 0.000 2.524 252 A HA 0.769 5.089 4.320 -0.000 0.000 0.286 252 A C -1.426 176.130 177.584 -0.046 0.000 1.203 252 A CA -0.699 51.341 52.037 0.005 0.000 0.736 252 A CB 0.964 19.974 19.000 0.016 0.000 1.322 252 A HN 0.439 nan 8.150 nan 0.000 0.424 253 L N 0.425 121.603 121.223 -0.074 0.000 2.333 253 L HA 0.767 5.107 4.340 -0.000 0.000 0.269 253 L C -0.302 176.429 176.870 -0.232 0.000 1.010 253 L CA -1.150 53.560 54.840 -0.216 0.000 0.818 253 L CB 1.762 43.628 42.059 -0.321 0.000 1.306 253 L HN 0.710 nan 8.230 nan 0.000 0.430 254 V N -1.279 118.437 119.914 -0.330 0.000 2.864 254 V HA 0.652 4.772 4.120 -0.000 0.000 0.314 254 V C -1.129 174.669 176.094 -0.492 0.000 1.073 254 V CA -0.602 61.539 62.300 -0.265 0.000 0.956 254 V CB 2.035 33.796 31.823 -0.102 0.000 1.023 254 V HN 0.528 nan 8.190 nan 0.000 0.435 255 F N 1.294 121.240 119.950 -0.007 0.000 2.540 255 F HA 0.713 5.239 4.527 -0.000 0.000 0.317 255 F C -0.073 175.695 175.800 -0.053 0.000 1.104 255 F CA -0.493 57.487 58.000 -0.033 0.000 0.913 255 F CB 2.082 41.066 39.000 -0.026 0.000 1.170 255 F HN 0.638 nan 8.300 nan 0.000 0.450 256 C N 2.607 121.955 119.300 0.080 0.000 2.345 256 C HA 0.359 4.819 4.460 -0.000 0.000 0.323 256 C C -0.287 174.638 174.990 -0.107 0.000 1.276 256 C CA -1.045 57.935 59.018 -0.065 0.000 1.543 256 C CB 0.585 28.187 27.740 -0.230 0.000 2.211 256 C HN 0.966 nan 8.230 nan 0.000 0.493 257 D N 1.759 122.114 120.400 -0.075 0.000 2.882 257 D HA -0.170 4.469 4.640 -0.000 0.000 0.229 257 D C 1.172 177.447 176.300 -0.042 0.000 1.167 257 D CA 2.074 56.038 54.000 -0.060 0.000 0.759 257 D CB -1.369 39.351 40.800 -0.133 0.000 1.088 257 D HN 1.441 nan 8.370 nan 0.000 0.425 258 G N 0.404 109.191 108.800 -0.022 0.000 2.305 258 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.287 258 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.287 258 G C 0.857 175.720 174.900 -0.061 0.000 1.036 258 G CA 1.328 46.382 45.100 -0.076 0.000 0.887 258 G HN 0.817 nan 8.290 nan 0.000 0.505 259 R N -2.146 118.355 120.500 0.002 0.000 2.709 259 R HA 0.159 4.499 4.340 -0.000 0.000 0.200 259 R C 0.483 176.798 176.300 0.027 0.000 0.974 259 R CA -0.266 55.836 56.100 0.003 0.000 1.416 259 R CB 0.548 30.828 30.300 -0.034 0.000 1.709 259 R HN 0.272 nan 8.270 nan 0.000 0.546 260 R N 1.711 122.207 120.500 -0.007 0.000 2.295 260 R HA 0.290 4.630 4.340 -0.000 0.000 0.324 260 R C -1.051 175.254 176.300 0.009 0.000 0.968 260 R CA -0.448 55.639 56.100 -0.021 0.000 0.837 260 R CB 2.053 32.283 30.300 -0.116 0.000 1.133 260 R HN 0.163 nan 8.270 nan 0.000 0.450 261 E N 4.129 124.332 120.200 0.005 0.000 2.231 261 E HA 0.330 4.679 4.350 -0.000 0.000 0.277 261 E C -0.567 175.938 176.600 -0.159 0.000 0.999 261 E CA -0.324 55.992 56.400 -0.140 0.000 0.827 261 E CB 1.014 30.662 29.700 -0.086 0.000 1.101 261 E HN 0.378 nan 8.360 nan 0.000 0.393 262 M N 2.597 122.058 119.600 -0.232 0.000 2.755 262 M HA 0.432 4.911 4.480 -0.000 0.000 0.298 262 M C -1.145 175.050 176.300 -0.176 0.000 1.251 262 M CA -1.192 54.018 55.300 -0.150 0.000 0.817 262 M CB 1.627 34.163 32.600 -0.106 0.000 1.760 262 M HN 0.320 nan 8.290 nan 0.000 0.473 263 L N 2.673 123.832 121.223 -0.108 0.000 2.343 263 L HA 0.494 4.834 4.340 -0.000 0.000 0.278 263 L C -1.267 175.566 176.870 -0.062 0.000 0.996 263 L CA -0.519 54.268 54.840 -0.088 0.000 0.831 263 L CB 1.743 43.769 42.059 -0.056 0.000 1.232 263 L HN 0.551 nan 8.230 nan 0.000 0.413 264 I N 6.279 126.813 120.570 -0.059 0.000 2.306 264 I HA 0.313 4.483 4.170 -0.000 0.000 0.288 264 I C -2.065 174.040 176.117 -0.020 0.000 1.036 264 I CA -2.632 58.646 61.300 -0.037 0.000 1.221 264 I CB 0.948 38.927 38.000 -0.036 0.000 1.385 264 I HN 0.195 nan 8.210 nan 0.000 0.472 265 P HA 0.071 nan 4.420 nan 0.000 0.267 265 P C 0.042 177.339 177.300 -0.006 0.000 1.200 265 P CA -0.120 62.976 63.100 -0.007 0.000 0.772 265 P CB 0.641 32.337 31.700 -0.007 0.000 0.855 266 A N 2.896 125.715 122.820 -0.002 0.000 2.555 266 A HA 0.379 4.698 4.320 -0.000 0.000 0.233 266 A C 1.628 179.202 177.584 -0.015 0.000 1.060 266 A CA 0.840 52.871 52.037 -0.010 0.000 0.759 266 A CB -1.396 17.594 19.000 -0.017 0.000 0.995 266 A HN 0.890 nan 8.150 nan 0.000 0.506 267 G N 0.564 109.351 108.800 -0.021 0.000 2.184 267 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.264 267 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.264 267 G C 0.682 175.572 174.900 -0.017 0.000 0.975 267 G CA 1.261 46.349 45.100 -0.021 0.000 0.642 267 G HN 2.074 nan 8.290 nan 0.000 0.536 268 S N -0.712 114.979 115.700 -0.015 0.000 2.646 268 S HA 0.756 5.226 4.470 -0.000 0.000 0.273 268 S C 0.216 174.808 174.600 -0.014 0.000 1.168 268 S CA 0.183 58.375 58.200 -0.013 0.000 1.013 268 S CB 1.620 64.814 63.200 -0.011 0.000 1.098 268 S HN 1.270 nan 8.310 nan 0.000 0.544 269 R N -0.141 120.352 120.500 -0.011 0.000 2.514 269 R HA 0.515 4.855 4.340 -0.000 0.000 0.296 269 R C -1.703 174.593 176.300 -0.006 0.000 1.012 269 R CA -0.621 55.473 56.100 -0.010 0.000 0.897 269 R CB 0.774 31.069 30.300 -0.009 0.000 1.184 269 R HN 0.695 nan 8.270 nan 0.000 0.440 270 L N 3.625 124.845 121.223 -0.005 0.000 2.276 270 L HA 0.367 4.706 4.340 -0.000 0.000 0.286 270 L C -0.259 176.615 176.870 0.007 0.000 1.061 270 L CA -0.300 54.541 54.840 0.002 0.000 0.807 270 L CB 1.620 43.681 42.059 0.003 0.000 1.177 270 L HN 0.750 nan 8.230 nan 0.000 0.429 271 E N 2.527 122.735 120.200 0.013 0.000 2.176 271 E HA 0.472 4.822 4.350 -0.000 0.000 0.267 271 E C -1.316 175.299 176.600 0.026 0.000 0.893 271 E CA -0.499 55.912 56.400 0.018 0.000 0.761 271 E CB 2.582 32.293 29.700 0.017 0.000 1.133 271 E HN 0.214 nan 8.360 nan 0.000 0.409 272 V N 2.990 122.922 119.914 0.030 0.000 2.540 272 V HA 0.586 4.706 4.120 -0.000 0.000 0.302 272 V C -0.026 176.092 176.094 0.040 0.000 1.035 272 V CA -0.532 61.791 62.300 0.040 0.000 0.873 272 V CB 1.718 33.566 31.823 0.041 0.000 0.992 272 V HN 0.899 nan 8.190 nan 0.000 0.428 273 T N 1.419 116.001 114.554 0.047 0.000 2.787 273 T HA 0.663 5.012 4.350 -0.000 0.000 0.297 273 T C -0.516 174.216 174.700 0.053 0.000 1.221 273 T CA -1.059 61.067 62.100 0.043 0.000 1.006 273 T CB 1.821 70.711 68.868 0.037 0.000 1.328 273 T HN 0.718 nan 8.240 nan 0.000 0.509 274 R N -0.187 120.341 120.500 0.047 0.000 2.490 274 R HA 0.575 4.915 4.340 -0.000 0.000 0.280 274 R C -0.217 176.115 176.300 0.054 0.000 1.077 274 R CA -0.449 55.683 56.100 0.052 0.000 1.065 274 R CB 0.046 30.371 30.300 0.041 0.000 1.003 274 R HN 0.805 nan 8.270 nan 0.000 0.470 275 C N 4.298 123.638 119.300 0.067 0.000 2.459 275 C HA 0.273 4.733 4.460 -0.000 0.000 0.374 275 C C 1.879 176.893 174.990 0.040 0.000 1.241 275 C CA -0.525 58.530 59.018 0.062 0.000 2.352 275 C CB 0.698 28.488 27.740 0.084 0.000 2.490 275 C HN 0.844 nan 8.230 nan 0.000 0.583 276 V N 2.240 122.170 119.914 0.026 0.000 2.548 276 V HA 0.053 4.173 4.120 -0.000 0.000 0.249 276 V C 1.039 177.137 176.094 0.006 0.000 1.055 276 V CA 1.609 63.918 62.300 0.015 0.000 1.065 276 V CB -1.421 30.407 31.823 0.009 0.000 0.681 276 V HN 0.960 nan 8.190 nan 0.000 0.462 277 T N -0.340 114.209 114.554 -0.008 0.000 2.963 277 T HA 0.520 4.869 4.350 -0.000 0.000 0.343 277 T C 0.005 174.688 174.700 -0.028 0.000 1.146 277 T CA -0.217 61.867 62.100 -0.027 0.000 1.016 277 T CB 1.010 69.842 68.868 -0.060 0.000 1.046 277 T HN 0.170 nan 8.240 nan 0.000 0.496 278 S N 1.828 117.535 115.700 0.012 0.000 2.587 278 S HA 0.311 4.781 4.470 -0.000 0.000 0.260 278 S C 0.729 175.354 174.600 0.042 0.000 1.353 278 S CA -0.677 57.553 58.200 0.051 0.000 0.995 278 S CB 0.533 63.779 63.200 0.077 0.000 0.912 278 S HN 0.629 nan 8.310 nan 0.000 0.568 279 V N 2.359 122.346 119.914 0.122 0.000 2.607 279 V HA 0.227 4.347 4.120 -0.000 0.000 0.289 279 V C 0.176 176.411 176.094 0.236 0.000 1.053 279 V CA -0.269 62.111 62.300 0.134 0.000 0.996 279 V CB 1.216 33.188 31.823 0.247 0.000 0.995 279 V HN 0.651 nan 8.190 nan 0.000 0.476 280 K N 3.890 124.378 120.400 0.148 0.000 2.185 280 K HA 0.343 4.663 4.320 -0.000 0.000 0.269 280 K C -1.428 175.310 176.600 0.231 0.000 0.987 280 K CA -0.334 56.073 56.287 0.199 0.000 0.865 280 K CB 1.617 34.180 32.500 0.104 0.000 1.090 280 K HN 0.538 nan 8.250 nan 0.000 0.450 281 W N 1.157 122.514 121.300 0.095 0.000 2.532 281 W HA 0.376 5.036 4.660 -0.000 0.000 0.321 281 W C 0.067 176.631 176.519 0.076 0.000 1.037 281 W CA -0.383 57.041 57.345 0.132 0.000 1.220 281 W CB 1.515 31.058 29.460 0.137 0.000 1.361 281 W HN 0.640 nan 8.180 nan 0.000 0.468 282 A N 4.474 127.405 122.820 0.185 0.000 2.445 282 A HA 0.602 4.921 4.320 -0.000 0.000 0.242 282 A C 0.130 177.812 177.584 0.163 0.000 1.075 282 A CA -0.030 52.023 52.037 0.027 0.000 0.777 282 A CB 0.359 19.170 19.000 -0.314 0.000 1.013 282 A HN 0.664 nan 8.150 nan 0.000 0.493 283 R N 0.901 121.484 120.500 0.138 0.000 2.686 283 R HA 0.641 4.981 4.340 -0.000 0.000 0.283 283 R C -1.567 174.787 176.300 0.090 0.000 0.978 283 R CA -0.618 55.563 56.100 0.136 0.000 0.897 283 R CB 1.601 31.985 30.300 0.139 0.000 1.192 283 R HN 0.629 nan 8.270 nan 0.000 0.457 284 L N 0.337 121.585 121.223 0.042 0.000 2.161 284 L HA 0.327 4.667 4.340 -0.000 0.000 0.248 284 L C 0.210 177.077 176.870 -0.005 0.000 1.088 284 L CA -0.338 54.489 54.840 -0.023 0.000 0.987 284 L CB 0.843 42.839 42.059 -0.105 0.000 1.563 284 L HN 0.488 nan 8.230 nan 0.000 0.472 285 D N -0.345 120.035 120.400 -0.033 0.000 2.856 285 D HA 0.139 4.779 4.640 -0.000 0.000 0.242 285 D C -0.111 176.188 176.300 -0.001 0.000 1.226 285 D CA 0.069 54.070 54.000 0.002 0.000 0.855 285 D CB -0.028 40.780 40.800 0.013 0.000 1.065 285 D HN 0.493 nan 8.370 nan 0.000 0.462 286 S N -0.785 114.915 115.700 0.001 0.000 2.589 286 S HA 0.512 4.982 4.470 -0.000 0.000 0.265 286 S C 0.650 175.253 174.600 0.005 0.000 1.342 286 S CA -0.948 57.251 58.200 -0.002 0.000 1.005 286 S CB 1.376 64.582 63.200 0.011 0.000 0.909 286 S HN 0.271 nan 8.310 nan 0.000 0.555 287 A N 1.629 124.442 122.820 -0.012 0.000 2.406 287 A HA 0.552 4.872 4.320 -0.000 0.000 0.243 287 A C -2.284 175.304 177.584 0.006 0.000 1.082 287 A CA -1.334 50.695 52.037 -0.014 0.000 0.786 287 A CB -1.054 17.916 19.000 -0.049 0.000 1.029 287 A HN 0.684 nan 8.150 nan 0.000 0.495 288 P HA 0.125 nan 4.420 nan 0.000 0.272 288 P C 0.647 177.990 177.300 0.072 0.000 1.223 288 P CA -0.343 62.805 63.100 0.079 0.000 0.784 288 P CB 0.257 32.014 31.700 0.095 0.000 0.923 289 F N 2.317 122.257 119.950 -0.018 0.000 2.087 289 F HA -0.301 4.226 4.527 -0.000 0.000 0.299 289 F C 1.914 177.631 175.800 -0.137 0.000 1.100 289 F CA 2.517 60.453 58.000 -0.107 0.000 1.226 289 F CB -1.317 37.541 39.000 -0.237 0.000 0.983 289 F HN 0.232 nan 8.300 nan 0.000 0.479 290 T N -0.092 114.442 114.554 -0.033 0.000 2.721 290 T HA -0.254 4.096 4.350 -0.000 0.000 0.268 290 T C 1.441 176.013 174.700 -0.213 0.000 1.038 290 T CA 1.808 63.876 62.100 -0.054 0.000 1.145 290 T CB -0.471 68.565 68.868 0.280 0.000 0.858 290 T HN 0.317 nan 8.240 nan 0.000 0.459 291 D N 0.316 120.610 120.400 -0.175 0.000 2.194 291 D HA 0.051 4.691 4.640 -0.000 0.000 0.204 291 D C 2.421 178.559 176.300 -0.271 0.000 0.964 291 D CA 0.599 54.491 54.000 -0.180 0.000 0.846 291 D CB -0.115 40.615 40.800 -0.118 0.000 0.962 291 D HN 0.331 nan 8.370 nan 0.000 0.490 292 R N 0.215 120.501 120.500 -0.356 0.000 2.066 292 R HA -0.017 4.323 4.340 -0.000 0.000 0.232 292 R C 2.342 178.278 176.300 -0.608 0.000 1.131 292 R CA 0.397 56.204 56.100 -0.489 0.000 0.955 292 R CB -0.454 29.574 30.300 -0.454 0.000 0.851 292 R HN 0.183 nan 8.270 nan 0.000 0.432 293 L N 1.094 121.967 121.223 -0.584 0.000 2.043 293 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 293 L C 2.211 178.942 176.870 -0.231 0.000 1.075 293 L CA 1.712 56.323 54.840 -0.382 0.000 0.752 293 L CB -0.325 41.395 42.059 -0.566 0.000 0.891 293 L HN 0.098 nan 8.230 nan 0.000 0.432 294 V N -0.280 119.499 119.914 -0.225 0.000 2.270 294 V HA -0.282 3.838 4.120 -0.000 0.000 0.245 294 V C 2.731 178.738 176.094 -0.145 0.000 1.043 294 V CA 1.837 64.062 62.300 -0.125 0.000 1.014 294 V CB -0.647 31.101 31.823 -0.125 0.000 0.645 294 V HN 0.463 nan 8.190 nan 0.000 0.447 295 R N -0.103 120.264 120.500 -0.222 0.000 2.083 295 R HA -0.203 4.137 4.340 -0.000 0.000 0.237 295 R C 2.536 178.664 176.300 -0.287 0.000 1.137 295 R CA 1.618 57.581 56.100 -0.230 0.000 0.951 295 R CB -0.314 29.828 30.300 -0.264 0.000 0.851 295 R HN 0.272 nan 8.270 nan 0.000 0.434 296 K N -0.235 119.877 120.400 -0.480 0.000 2.089 296 K HA -0.171 4.149 4.320 -0.000 0.000 0.210 296 K C 1.382 177.653 176.600 -0.548 0.000 1.048 296 K CA 1.664 57.532 56.287 -0.698 0.000 0.926 296 K CB -0.109 31.668 32.500 -1.204 0.000 0.714 296 K HN 0.258 nan 8.250 nan 0.000 0.448 297 F N 0.373 120.236 119.950 -0.146 0.000 2.688 297 F HA 0.231 4.758 4.527 -0.000 0.000 0.310 297 F C 0.028 175.787 175.800 -0.069 0.000 1.098 297 F CA -0.779 57.165 58.000 -0.094 0.000 1.228 297 F CB 0.653 39.598 39.000 -0.091 0.000 1.042 297 F HN -0.180 nan 8.300 nan 0.000 0.557 298 R N 0.881 121.411 120.500 0.049 0.000 3.251 298 R HA -0.197 4.143 4.340 -0.000 0.000 0.249 298 R C -0.969 175.357 176.300 0.043 0.000 0.949 298 R CA 0.098 56.210 56.100 0.020 0.000 0.645 298 R CB -2.414 27.897 30.300 0.017 0.000 1.065 298 R HN 0.170 nan 8.270 nan 0.000 0.452 299 L N 2.077 123.327 121.223 0.046 0.000 2.367 299 L HA 0.297 4.637 4.340 -0.000 0.000 0.275 299 L C -1.364 175.515 176.870 0.015 0.000 1.129 299 L CA -1.835 53.031 54.840 0.044 0.000 0.839 299 L CB 0.322 42.413 42.059 0.052 0.000 1.133 299 L HN 0.084 nan 8.230 nan 0.000 0.453 300 P HA 0.106 nan 4.420 nan 0.000 0.271 300 P C 0.009 177.315 177.300 0.010 0.000 1.220 300 P CA 0.019 63.128 63.100 0.015 0.000 0.768 300 P CB 0.980 32.693 31.700 0.021 0.000 0.848 301 V N 2.347 122.266 119.914 0.009 0.000 3.172 301 V HA 0.060 4.180 4.120 -0.000 0.000 0.343 301 V C 0.108 176.241 176.094 0.066 0.000 1.429 301 V CA 0.033 62.336 62.300 0.004 0.000 1.149 301 V CB -0.096 31.691 31.823 -0.061 0.000 1.106 301 V HN 0.631 nan 8.190 nan 0.000 0.526 302 T N -0.760 113.836 114.554 0.069 0.000 2.903 302 T HA 0.460 4.810 4.350 -0.000 0.000 0.314 302 T C 1.389 176.159 174.700 0.117 0.000 1.078 302 T CA 0.558 62.712 62.100 0.090 0.000 1.114 302 T CB 1.114 70.018 68.868 0.061 0.000 0.987 302 T HN 1.092 nan 8.240 nan 0.000 0.548 303 G N 0.205 109.082 108.800 0.127 0.000 2.195 303 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.246 303 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.246 303 G C -0.158 174.844 174.900 0.169 0.000 0.984 303 G CA -0.176 44.994 45.100 0.117 0.000 0.633 303 G HN 0.951 nan 8.290 nan 0.000 0.525 304 W N 4.872 126.180 121.300 0.013 0.000 2.303 304 W HA 0.595 5.255 4.660 -0.000 0.000 0.318 304 W C 1.192 177.718 176.519 0.012 0.000 1.362 304 W CA -0.778 56.576 57.345 0.014 0.000 1.234 304 W CB 0.443 29.914 29.460 0.018 0.000 1.248 304 W HN 0.527 nan 8.180 nan 0.000 0.546 305 R N 0.000 120.270 120.500 -0.383 0.000 2.786 305 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 305 R CA 0.000 55.764 56.100 -0.559 0.000 0.921 305 R CB 0.000 29.956 30.300 -0.573 0.000 0.687 305 R HN 0.000 nan 8.270 nan 0.000 0.535