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 1d1v_1_B DATA FIRST_RESID 69 DATA SEQUENCE KFPRVKNWEL GSITYDTLCA QSQQDGPCTP RRCLGSLVLP RKLQTRPSPG DATA SEQUENCE PPPAEQLLSQ ARDFINQYYS SIKRSGSQAH EERLQEVEAE VASTGTYHLR DATA SEQUENCE ESELVFGAKQ AWRNAPRCVG RIQWGKLQVF DARDCSSAQE MFTYICNHIK DATA SEQUENCE YATNRGNLRS AITVFPQRAP GRGDFRIWNS QLVRYAGYRQ QDGSVRGDPA DATA SEQUENCE NVEITELCIQ HGWTPGNGRF DVLPLLLQAP DEAPELFVLP PELVLEVPLE DATA SEQUENCE HPTLEWFAAL GLRWYALPAV SNMLLEIGGL EFSAAPFSGW YMSTEIGTRN DATA SEQUENCE LCDPHRYNIL EDVAVCMDLD TRTTSSLWKD KAAVEINLAV LHSFQLAKVT DATA SEQUENCE IVDHHAATVS FMKHLDNEQK ARGGCPADWA WIVPPISGSL TPVFHQEMVN DATA SEQUENCE YILSPAFRYQ PDPW 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 69 K HA 0.000 nan 4.320 nan 0.000 0.191 69 K C 0.000 176.321 176.600 -0.465 0.000 0.988 69 K CA 0.000 56.040 56.287 -0.412 0.000 0.838 69 K CB 0.000 32.405 32.500 -0.158 0.000 1.064 70 F N 3.118 123.078 119.950 0.016 0.000 2.405 70 F HA 0.343 4.871 4.527 0.002 0.000 0.355 70 F C -1.583 174.298 175.800 0.136 0.000 1.121 70 F CA -1.645 56.386 58.000 0.051 0.000 1.112 70 F CB 1.055 40.083 39.000 0.046 0.000 1.126 70 F HN 0.213 nan 8.300 nan 0.000 0.481 71 P HA 0.062 nan 4.420 nan 0.000 0.271 71 P C -0.802 176.597 177.300 0.165 0.000 1.216 71 P CA -0.491 62.718 63.100 0.182 0.000 0.771 71 P CB 1.123 32.891 31.700 0.114 0.000 0.864 72 R N 2.461 122.990 120.500 0.048 0.000 2.265 72 R HA 0.387 4.728 4.340 0.002 0.000 0.314 72 R C -1.017 175.164 176.300 -0.199 0.000 1.053 72 R CA -0.517 55.394 56.100 -0.315 0.000 0.931 72 R CB 0.445 30.620 30.300 -0.210 0.000 1.024 72 R HN 0.265 nan 8.270 nan 0.000 0.457 73 V N 5.520 125.280 119.914 -0.257 0.000 2.357 73 V HA 0.324 4.445 4.120 0.002 0.000 0.284 73 V C -0.181 175.833 176.094 -0.134 0.000 1.018 73 V CA -0.663 61.574 62.300 -0.105 0.000 0.841 73 V CB 1.302 33.103 31.823 -0.035 0.000 0.991 73 V HN 0.733 nan 8.190 nan 0.000 0.437 74 K N 4.043 124.392 120.400 -0.084 0.000 2.203 74 K HA 0.435 4.756 4.320 0.002 0.000 0.251 74 K C -0.615 175.934 176.600 -0.084 0.000 0.944 74 K CA -0.717 55.456 56.287 -0.191 0.000 0.829 74 K CB 1.507 33.746 32.500 -0.434 0.000 1.125 74 K HN 0.689 nan 8.250 nan 0.000 0.430 75 N N 4.037 122.667 118.700 -0.116 0.000 2.469 75 N HA 0.104 4.845 4.740 0.002 0.000 0.253 75 N C -0.323 175.176 175.510 -0.019 0.000 0.970 75 N CA -0.381 52.706 53.050 0.061 0.000 0.940 75 N CB 0.497 39.025 38.487 0.068 0.000 1.128 75 N HN 0.668 nan 8.380 nan 0.000 0.503 76 W N 2.117 123.491 121.300 0.123 0.000 2.800 76 W HA 0.113 4.774 4.660 0.002 0.000 0.249 76 W C 2.055 178.617 176.519 0.072 0.000 1.294 76 W CA -0.052 57.356 57.345 0.105 0.000 1.402 76 W CB 0.212 29.756 29.460 0.141 0.000 1.126 76 W HN 0.668 nan 8.180 nan 0.000 0.652 77 E N 0.487 120.823 120.200 0.226 0.000 2.086 77 E HA -0.115 4.237 4.350 0.002 0.000 0.190 77 E C 1.718 178.340 176.600 0.037 0.000 0.975 77 E CA 1.065 57.498 56.400 0.055 0.000 0.813 77 E CB -0.217 29.472 29.700 -0.018 0.000 0.768 77 E HN 0.259 nan 8.360 nan 0.000 0.457 78 L N -1.027 120.218 121.223 0.036 0.000 2.513 78 L HA 0.324 4.665 4.340 0.002 0.000 0.222 78 L C 1.622 178.472 176.870 -0.034 0.000 1.096 78 L CA 0.435 55.277 54.840 0.003 0.000 0.857 78 L CB 0.487 42.552 42.059 0.010 0.000 1.026 78 L HN 0.440 nan 8.230 nan 0.000 0.469 79 G N 0.512 109.265 108.800 -0.078 0.000 2.179 79 G HA2 -0.309 3.653 3.960 0.002 0.000 0.260 79 G HA3 -0.309 3.653 3.960 0.002 0.000 0.260 79 G C 0.422 175.229 174.900 -0.156 0.000 0.977 79 G CA 0.409 45.418 45.100 -0.151 0.000 0.641 79 G HN 0.456 nan 8.290 nan 0.000 0.533 80 S N -0.314 115.319 115.700 -0.112 0.000 2.576 80 S HA 0.734 5.205 4.470 0.002 0.000 0.276 80 S C 0.134 174.651 174.600 -0.138 0.000 1.339 80 S CA -0.300 57.841 58.200 -0.097 0.000 1.039 80 S CB 2.013 65.180 63.200 -0.055 0.000 0.902 80 S HN 0.617 nan 8.310 nan 0.000 0.516 81 I N 1.579 122.070 120.570 -0.132 0.000 2.647 81 I HA 0.538 4.709 4.170 0.002 0.000 0.295 81 I C -0.080 175.932 176.117 -0.174 0.000 1.078 81 I CA -0.519 60.667 61.300 -0.190 0.000 1.048 81 I CB 2.699 40.565 38.000 -0.224 0.000 1.239 81 I HN 0.990 nan 8.210 nan 0.000 0.421 82 T N 0.698 115.103 114.554 -0.247 0.000 2.841 82 T HA 0.620 4.971 4.350 0.002 0.000 0.296 82 T C -1.349 173.141 174.700 -0.349 0.000 1.166 82 T CA -0.807 61.189 62.100 -0.173 0.000 1.007 82 T CB 1.684 70.508 68.868 -0.073 0.000 1.253 82 T HN 0.288 nan 8.240 nan 0.000 0.511 83 Y N 0.282 120.573 120.300 -0.014 0.000 2.350 83 Y HA 0.450 5.001 4.550 0.002 0.000 0.338 83 Y C -0.071 175.825 175.900 -0.006 0.000 0.961 83 Y CA -0.923 57.179 58.100 0.003 0.000 1.100 83 Y CB 1.722 40.173 38.460 -0.016 0.000 1.179 83 Y HN 0.718 nan 8.280 nan 0.000 0.454 84 D N 2.221 122.719 120.400 0.162 0.000 2.339 84 D HA 0.067 4.708 4.640 0.002 0.000 0.241 84 D C 0.751 177.131 176.300 0.134 0.000 1.183 84 D CA 0.191 54.264 54.000 0.122 0.000 0.859 84 D CB 1.237 42.122 40.800 0.142 0.000 1.067 84 D HN 0.792 nan 8.370 nan 0.000 0.484 85 T N 1.093 115.649 114.554 0.003 0.000 3.014 85 T HA -0.044 4.307 4.350 0.002 0.000 0.250 85 T C 1.829 176.533 174.700 0.006 0.000 1.060 85 T CA -0.254 61.790 62.100 -0.094 0.000 1.040 85 T CB 0.099 68.702 68.868 -0.442 0.000 0.971 85 T HN 0.247 nan 8.240 nan 0.000 0.497 86 L N 2.536 123.755 121.223 -0.007 0.000 2.131 86 L HA 0.044 4.385 4.340 0.002 0.000 0.210 86 L C 2.675 179.457 176.870 -0.146 0.000 1.092 86 L CA 1.329 56.169 54.840 0.000 0.000 0.759 86 L CB -0.972 41.148 42.059 0.102 0.000 0.903 86 L HN 0.671 nan 8.230 nan 0.000 0.435 87 C N -1.413 117.600 119.300 -0.479 0.000 2.409 87 C HA -0.014 4.447 4.460 0.002 0.000 0.284 87 C C 2.754 177.506 174.990 -0.397 0.000 1.354 87 C CA 0.230 58.604 59.018 -1.073 0.000 1.787 87 C CB -2.269 24.794 27.740 -1.128 0.000 1.900 87 C HN 0.574 nan 8.230 nan 0.000 0.520 88 A N -0.002 122.749 122.820 -0.116 0.000 2.121 88 A HA -0.067 4.254 4.320 0.002 0.000 0.218 88 A C 2.276 179.852 177.584 -0.012 0.000 1.154 88 A CA 1.202 53.232 52.037 -0.012 0.000 0.679 88 A CB -0.467 18.644 19.000 0.185 0.000 0.795 88 A HN 0.776 nan 8.150 nan 0.000 0.458 89 Q N -0.072 119.718 119.800 -0.017 0.000 2.403 89 Q HA 0.088 4.429 4.340 0.002 0.000 0.203 89 Q C 0.471 176.490 176.000 0.032 0.000 0.932 89 Q CA 0.092 55.907 55.803 0.020 0.000 0.945 89 Q CB 0.040 28.802 28.738 0.041 0.000 1.045 89 Q HN 0.499 nan 8.270 nan 0.000 0.511 90 S N 0.813 116.518 115.700 0.009 0.000 2.549 90 S HA 0.054 4.525 4.470 0.002 0.000 0.279 90 S C 0.774 175.395 174.600 0.035 0.000 1.321 90 S CA -0.018 58.215 58.200 0.055 0.000 1.054 90 S CB 0.585 63.829 63.200 0.072 0.000 0.899 90 S HN 0.124 nan 8.310 nan 0.000 0.497 91 Q N 2.083 121.910 119.800 0.044 0.000 2.164 91 Q HA 0.243 4.584 4.340 0.002 0.000 0.226 91 Q C -0.391 175.626 176.000 0.028 0.000 0.813 91 Q CA 0.033 55.854 55.803 0.031 0.000 0.978 91 Q CB 0.758 29.517 28.738 0.034 0.000 1.149 91 Q HN 0.762 nan 8.270 nan 0.000 0.489 92 Q N 1.063 120.885 119.800 0.035 0.000 2.333 92 Q HA 0.271 4.612 4.340 0.002 0.000 0.267 92 Q C -1.304 174.716 176.000 0.034 0.000 1.012 92 Q CA -0.348 55.472 55.803 0.028 0.000 0.824 92 Q CB 1.298 30.050 28.738 0.022 0.000 1.290 92 Q HN -0.157 nan 8.270 nan 0.000 0.449 93 D N 2.115 122.530 120.400 0.025 0.000 2.341 93 D HA 0.376 5.017 4.640 0.002 0.000 0.245 93 D C 0.143 176.460 176.300 0.029 0.000 1.106 93 D CA 0.320 54.336 54.000 0.026 0.000 0.905 93 D CB 1.319 42.129 40.800 0.017 0.000 1.202 93 D HN 0.676 nan 8.370 nan 0.000 0.426 94 G N 0.725 109.546 108.800 0.035 0.000 2.606 94 G HA2 0.364 4.325 3.960 0.002 0.000 0.262 94 G HA3 0.364 4.325 3.960 0.002 0.000 0.262 94 G C -1.597 173.321 174.900 0.029 0.000 1.394 94 G CA -0.591 44.530 45.100 0.034 0.000 1.044 94 G HN 0.377 nan 8.290 nan 0.000 0.553 95 P HA 0.196 nan 4.420 nan 0.000 0.257 95 P C 0.220 177.536 177.300 0.026 0.000 1.241 95 P CA -0.066 63.051 63.100 0.028 0.000 0.816 95 P CB 0.201 31.921 31.700 0.033 0.000 1.150 96 C N 0.819 120.135 119.300 0.028 0.000 2.500 96 C HA 0.642 5.103 4.460 0.002 0.000 0.367 96 C C 1.011 176.011 174.990 0.017 0.000 1.283 96 C CA 0.167 59.199 59.018 0.023 0.000 2.456 96 C CB 0.960 28.717 27.740 0.028 0.000 2.457 96 C HN 0.384 nan 8.230 nan 0.000 0.632 97 T N -1.965 112.596 114.554 0.012 0.000 2.816 97 T HA 0.413 4.764 4.350 0.002 0.000 0.299 97 T C -2.543 172.159 174.700 0.004 0.000 1.230 97 T CA -0.998 61.106 62.100 0.007 0.000 1.007 97 T CB 1.221 70.092 68.868 0.005 0.000 1.289 97 T HN 0.263 nan 8.240 nan 0.000 0.508 98 P HA 0.062 nan 4.420 nan 0.000 0.218 98 P C 1.506 178.805 177.300 -0.001 0.000 1.149 98 P CA 0.615 63.714 63.100 -0.001 0.000 0.817 98 P CB 0.131 31.829 31.700 -0.004 0.000 0.785 99 R N -0.311 120.189 120.500 -0.000 0.000 2.115 99 R HA -0.026 4.315 4.340 0.002 0.000 0.226 99 R C 0.737 177.037 176.300 0.000 0.000 1.100 99 R CA 0.912 57.012 56.100 -0.000 0.000 0.980 99 R CB 0.137 30.437 30.300 0.000 0.000 0.875 99 R HN 0.074 nan 8.270 nan 0.000 0.445 100 R N -0.756 119.746 120.500 0.002 0.000 2.629 100 R HA 0.179 4.521 4.340 0.002 0.000 0.266 100 R C -1.818 174.486 176.300 0.007 0.000 1.051 100 R CA -0.756 55.346 56.100 0.003 0.000 0.895 100 R CB 0.039 30.341 30.300 0.004 0.000 1.246 100 R HN 0.076 nan 8.270 nan 0.000 0.459 101 C N 3.926 123.229 119.300 0.006 0.000 2.330 101 C HA 0.594 5.055 4.460 0.002 0.000 0.344 101 C C 0.663 175.663 174.990 0.017 0.000 1.273 101 C CA -0.654 58.370 59.018 0.010 0.000 1.879 101 C CB -0.699 27.042 27.740 0.003 0.000 2.376 101 C HN 0.771 nan 8.230 nan 0.000 0.534 102 L N 5.800 127.038 121.223 0.026 0.000 3.218 102 L HA 0.292 4.634 4.340 0.002 0.000 0.279 102 L C 1.958 178.858 176.870 0.050 0.000 1.287 102 L CA 0.171 55.032 54.840 0.035 0.000 1.024 102 L CB -0.035 42.044 42.059 0.032 0.000 1.409 102 L HN 1.023 nan 8.230 nan 0.000 0.580 103 G N 0.304 109.135 108.800 0.051 0.000 2.470 103 G HA2 -0.249 3.712 3.960 0.002 0.000 0.220 103 G HA3 -0.249 3.712 3.960 0.002 0.000 0.220 103 G C 1.555 176.519 174.900 0.107 0.000 1.121 103 G CA 1.151 46.294 45.100 0.071 0.000 0.766 103 G HN 0.509 nan 8.290 nan 0.000 0.553 104 S N -0.599 115.162 115.700 0.102 0.000 2.593 104 S HA 0.316 4.787 4.470 0.002 0.000 0.217 104 S C 0.669 175.355 174.600 0.144 0.000 0.966 104 S CA -0.466 57.816 58.200 0.137 0.000 0.914 104 S CB -0.021 63.241 63.200 0.104 0.000 0.776 104 S HN -0.016 nan 8.310 nan 0.000 0.523 105 L N 2.111 123.403 121.223 0.114 0.000 2.416 105 L HA 0.250 4.591 4.340 0.002 0.000 0.272 105 L C 1.409 178.368 176.870 0.150 0.000 1.161 105 L CA 0.190 55.094 54.840 0.108 0.000 0.845 105 L CB 0.817 42.919 42.059 0.072 0.000 1.119 105 L HN -0.005 nan 8.230 nan 0.000 0.464 106 V N 3.289 123.300 119.914 0.161 0.000 2.323 106 V HA -0.046 4.075 4.120 0.002 0.000 0.244 106 V C 0.790 176.970 176.094 0.142 0.000 1.041 106 V CA 1.128 63.557 62.300 0.216 0.000 1.025 106 V CB -0.309 31.640 31.823 0.209 0.000 0.656 106 V HN 0.482 nan 8.190 nan 0.000 0.451 107 L N -0.658 120.600 121.223 0.058 0.000 2.303 107 L HA 0.508 4.850 4.340 0.002 0.000 0.266 107 L C -2.433 174.473 176.870 0.061 0.000 1.011 107 L CA -1.871 52.983 54.840 0.023 0.000 0.818 107 L CB 1.082 43.072 42.059 -0.115 0.000 1.326 107 L HN 0.050 nan 8.230 nan 0.000 0.435 108 P HA 0.271 nan 4.420 nan 0.000 0.276 108 P C -0.192 177.125 177.300 0.029 0.000 1.261 108 P CA -0.692 62.444 63.100 0.061 0.000 0.800 108 P CB 0.881 32.626 31.700 0.076 0.000 1.066 109 R N 0.930 121.444 120.500 0.022 0.000 2.100 109 R HA 0.088 4.429 4.340 0.002 0.000 0.220 109 R C 0.751 177.054 176.300 0.005 0.000 1.091 109 R CA 1.735 57.841 56.100 0.010 0.000 0.986 109 R CB 0.096 30.402 30.300 0.010 0.000 0.888 109 R HN 0.390 nan 8.270 nan 0.000 0.444 110 K N -1.502 118.904 120.400 0.011 0.000 2.612 110 K HA 0.128 4.449 4.320 0.002 0.000 0.199 110 K C 0.650 177.258 176.600 0.014 0.000 1.520 110 K CA 0.001 56.293 56.287 0.007 0.000 1.039 110 K CB 0.428 32.929 32.500 0.001 0.000 1.286 110 K HN -0.083 nan 8.250 nan 0.000 0.622 111 L N 2.177 123.414 121.223 0.024 0.000 2.351 111 L HA -0.169 4.172 4.340 0.002 0.000 0.220 111 L C 2.007 178.893 176.870 0.027 0.000 1.127 111 L CA 1.588 56.442 54.840 0.024 0.000 0.786 111 L CB -0.815 41.261 42.059 0.029 0.000 0.914 111 L HN 0.236 nan 8.230 nan 0.000 0.443 112 Q N 0.238 120.062 119.800 0.041 0.000 0.581 112 Q HA -0.221 4.120 4.340 0.002 0.000 0.894 112 Q C -0.124 175.890 176.000 0.024 0.000 0.862 112 Q CA 2.312 58.144 55.803 0.048 0.000 0.873 112 Q CB -0.150 28.603 28.738 0.026 0.000 0.915 112 Q HN 0.347 nan 8.270 nan 0.000 0.164 113 T N 0.460 115.019 114.554 0.007 0.000 3.706 113 T HA 0.228 4.579 4.350 0.002 0.000 0.292 113 T C -1.143 173.546 174.700 -0.018 0.000 0.693 113 T CA -0.676 61.420 62.100 -0.006 0.000 1.126 113 T CB 0.542 69.408 68.868 -0.003 0.000 1.043 113 T HN 0.276 nan 8.240 nan 0.000 0.501 114 R N 1.859 122.348 120.500 -0.019 0.000 2.924 114 R HA 0.161 4.502 4.340 0.002 0.000 0.272 114 R C -2.044 174.240 176.300 -0.027 0.000 1.012 114 R CA -0.916 55.170 56.100 -0.024 0.000 1.171 114 R CB -0.290 29.999 30.300 -0.019 0.000 1.086 114 R HN 0.310 nan 8.270 nan 0.000 0.489 115 P HA -0.081 nan 4.420 nan 0.000 0.271 115 P C -0.192 177.095 177.300 -0.023 0.000 1.228 115 P CA 0.442 63.527 63.100 -0.025 0.000 0.797 115 P CB 0.428 32.115 31.700 -0.022 0.000 0.914 116 S N 0.481 116.169 115.700 -0.021 0.000 2.617 116 S HA 0.278 4.750 4.470 0.002 0.000 0.237 116 S C -1.678 172.913 174.600 -0.014 0.000 1.142 116 S CA -1.083 57.103 58.200 -0.022 0.000 1.167 116 S CB -0.287 62.894 63.200 -0.031 0.000 1.068 116 S HN 0.294 nan 8.310 nan 0.000 0.470 117 P HA 0.246 nan 4.420 nan 0.000 0.230 117 P C 0.808 178.106 177.300 -0.003 0.000 1.168 117 P CA 0.442 63.539 63.100 -0.005 0.000 0.793 117 P CB 0.083 31.780 31.700 -0.004 0.000 0.851 118 G N 1.177 109.973 108.800 -0.006 0.000 2.473 118 G HA2 0.547 4.508 3.960 0.002 0.000 0.321 118 G HA3 0.547 4.508 3.960 0.002 0.000 0.321 118 G C -2.917 171.978 174.900 -0.007 0.000 1.200 118 G CA -1.673 43.424 45.100 -0.004 0.000 0.963 118 G HN -0.121 nan 8.290 nan 0.000 0.483 119 P HA 0.237 nan 4.420 nan 0.000 0.276 119 P C -2.376 174.921 177.300 -0.005 0.000 1.235 119 P CA -0.942 62.155 63.100 -0.005 0.000 0.772 119 P CB 0.937 32.639 31.700 0.003 0.000 0.871 120 P HA 0.181 nan 4.420 nan 0.000 0.268 120 P C -2.448 174.854 177.300 0.004 0.000 1.205 120 P CA -1.338 61.758 63.100 -0.007 0.000 0.771 120 P CB -0.962 30.730 31.700 -0.014 0.000 0.858 121 P HA -0.104 nan 4.420 nan 0.000 0.253 121 P C 1.096 178.404 177.300 0.012 0.000 1.159 121 P CA 0.564 63.668 63.100 0.007 0.000 0.779 121 P CB -0.086 31.617 31.700 0.005 0.000 0.745 122 A N 4.790 127.618 122.820 0.013 0.000 1.940 122 A HA -0.312 4.009 4.320 0.002 0.000 0.221 122 A C 1.960 179.552 177.584 0.013 0.000 1.190 122 A CA 1.990 54.037 52.037 0.016 0.000 0.647 122 A CB -0.833 18.175 19.000 0.014 0.000 0.821 122 A HN 0.585 nan 8.150 nan 0.000 0.457 123 E N -1.379 118.826 120.200 0.009 0.000 2.031 123 E HA -0.274 4.077 4.350 0.002 0.000 0.193 123 E C 2.314 178.921 176.600 0.011 0.000 0.994 123 E CA 1.461 57.865 56.400 0.007 0.000 0.800 123 E CB -0.208 29.495 29.700 0.005 0.000 0.752 123 E HN 0.700 nan 8.360 nan 0.000 0.447 124 Q N 1.043 120.851 119.800 0.013 0.000 2.002 124 Q HA -0.205 4.136 4.340 0.002 0.000 0.204 124 Q C 2.153 178.169 176.000 0.027 0.000 0.988 124 Q CA 1.376 57.189 55.803 0.017 0.000 0.843 124 Q CB -0.496 28.250 28.738 0.014 0.000 0.908 124 Q HN 0.249 nan 8.270 nan 0.000 0.420 125 L N -0.215 121.027 121.223 0.032 0.000 2.013 125 L HA -0.171 4.171 4.340 0.002 0.000 0.212 125 L C 2.136 179.039 176.870 0.055 0.000 1.073 125 L CA 1.890 56.765 54.840 0.058 0.000 0.753 125 L CB -1.035 41.066 42.059 0.069 0.000 0.890 125 L HN 0.473 nan 8.230 nan 0.000 0.432 126 L N -0.997 120.238 121.223 0.020 0.000 2.079 126 L HA -0.189 4.153 4.340 0.002 0.000 0.210 126 L C 2.739 179.607 176.870 -0.003 0.000 1.081 126 L CA 2.084 56.912 54.840 -0.019 0.000 0.752 126 L CB -0.954 41.092 42.059 -0.022 0.000 0.896 126 L HN 0.524 nan 8.230 nan 0.000 0.433 127 S N -1.370 114.340 115.700 0.017 0.000 2.368 127 S HA -0.236 4.235 4.470 0.002 0.000 0.225 127 S C 1.947 176.580 174.600 0.054 0.000 1.030 127 S CA 1.585 59.802 58.200 0.028 0.000 0.999 127 S CB -0.146 63.070 63.200 0.026 0.000 0.844 127 S HN 0.668 nan 8.310 nan 0.000 0.459 128 Q N 0.140 119.980 119.800 0.067 0.000 2.123 128 Q HA 0.101 4.442 4.340 0.002 0.000 0.199 128 Q C 2.552 178.647 176.000 0.158 0.000 0.966 128 Q CA 1.232 57.096 55.803 0.103 0.000 0.845 128 Q CB -0.355 28.435 28.738 0.087 0.000 0.907 128 Q HN 0.687 nan 8.270 nan 0.000 0.439 129 A N 1.318 124.212 122.820 0.124 0.000 1.877 129 A HA -0.206 4.115 4.320 0.002 0.000 0.216 129 A C 1.998 179.653 177.584 0.118 0.000 1.186 129 A CA 1.347 53.448 52.037 0.107 0.000 0.620 129 A CB -0.404 18.428 19.000 -0.280 0.000 0.822 129 A HN 0.191 nan 8.150 nan 0.000 0.443 130 R N -0.635 119.896 120.500 0.052 0.000 2.083 130 R HA -0.180 4.161 4.340 0.002 0.000 0.237 130 R C 2.068 178.444 176.300 0.128 0.000 1.137 130 R CA 1.699 57.841 56.100 0.069 0.000 0.951 130 R CB -0.489 29.830 30.300 0.031 0.000 0.851 130 R HN 0.716 nan 8.270 nan 0.000 0.434 131 D N 0.038 120.520 120.400 0.137 0.000 2.104 131 D HA -0.225 4.416 4.640 0.002 0.000 0.194 131 D C 1.641 178.061 176.300 0.200 0.000 0.994 131 D CA 1.187 55.277 54.000 0.150 0.000 0.830 131 D CB -0.101 40.783 40.800 0.141 0.000 0.959 131 D HN 0.145 nan 8.370 nan 0.000 0.452 132 F N 0.799 120.834 119.950 0.142 0.000 2.102 132 F HA -0.094 4.435 4.527 0.002 0.000 0.298 132 F C 2.001 177.943 175.800 0.236 0.000 1.105 132 F CA 1.090 59.209 58.000 0.199 0.000 1.239 132 F CB -0.259 38.861 39.000 0.200 0.000 0.991 132 F HN -0.005 nan 8.300 nan 0.000 0.474 133 I N 0.928 121.539 120.570 0.068 0.000 2.264 133 I HA -0.312 3.859 4.170 0.002 0.000 0.248 133 I C 1.990 178.134 176.117 0.045 0.000 1.111 133 I CA 1.211 62.540 61.300 0.050 0.000 1.382 133 I CB -1.625 36.499 38.000 0.206 0.000 1.060 133 I HN 0.256 nan 8.210 nan 0.000 0.418 134 N N 0.924 119.678 118.700 0.090 0.000 2.084 134 N HA -0.182 4.559 4.740 0.002 0.000 0.190 134 N C 1.848 177.320 175.510 -0.063 0.000 1.030 134 N CA 1.102 54.199 53.050 0.079 0.000 0.849 134 N CB -0.350 38.223 38.487 0.143 0.000 1.012 134 N HN 0.494 nan 8.380 nan 0.000 0.423 135 Q N -0.433 119.336 119.800 -0.051 0.000 2.096 135 Q HA -0.198 4.143 4.340 0.002 0.000 0.204 135 Q C 1.833 177.643 176.000 -0.318 0.000 0.982 135 Q CA 1.385 57.164 55.803 -0.041 0.000 0.850 135 Q CB -0.285 28.547 28.738 0.157 0.000 0.901 135 Q HN 0.449 nan 8.270 nan 0.000 0.422 136 Y N 0.076 119.961 120.300 -0.692 0.000 2.097 136 Y HA -0.308 4.243 4.550 0.002 0.000 0.282 136 Y C 1.770 177.141 175.900 -0.882 0.000 1.152 136 Y CA 1.722 59.143 58.100 -1.131 0.000 1.136 136 Y CB -0.566 37.317 38.460 -0.962 0.000 0.975 136 Y HN 0.093 nan 8.280 nan 0.000 0.498 137 Y N -0.767 119.101 120.300 -0.720 0.000 2.352 137 Y HA -0.186 4.366 4.550 0.002 0.000 0.292 137 Y C 3.030 178.600 175.900 -0.550 0.000 1.136 137 Y CA 1.621 59.289 58.100 -0.720 0.000 1.227 137 Y CB -0.660 37.298 38.460 -0.837 0.000 0.991 137 Y HN 0.227 nan 8.280 nan 0.000 0.545 138 S N -0.586 114.911 115.700 -0.339 0.000 2.383 138 S HA -0.186 4.285 4.470 0.002 0.000 0.227 138 S C 2.358 176.797 174.600 -0.268 0.000 1.026 138 S CA 1.362 59.434 58.200 -0.213 0.000 0.981 138 S CB -0.600 62.527 63.200 -0.121 0.000 0.818 138 S HN 0.586 nan 8.310 nan 0.000 0.472 139 S N 2.054 117.488 115.700 -0.444 0.000 2.399 139 S HA -0.053 4.418 4.470 0.002 0.000 0.231 139 S C 1.634 176.003 174.600 -0.385 0.000 1.022 139 S CA 1.090 59.053 58.200 -0.396 0.000 0.983 139 S CB -0.959 61.847 63.200 -0.657 0.000 0.803 139 S HN 0.811 nan 8.310 nan 0.000 0.480 140 I N -2.513 117.733 120.570 -0.540 0.000 3.855 140 I HA 0.480 4.651 4.170 0.002 0.000 0.327 140 I C -0.071 175.898 176.117 -0.248 0.000 1.359 140 I CA -0.659 60.395 61.300 -0.411 0.000 1.142 140 I CB -0.474 37.185 38.000 -0.569 0.000 1.041 140 I HN -0.048 nan 8.210 nan 0.000 0.403 141 K N 1.374 121.655 120.400 -0.198 0.000 3.020 141 K HA -0.188 4.133 4.320 0.002 0.000 0.266 141 K C 0.289 176.846 176.600 -0.072 0.000 1.067 141 K CA 0.964 57.185 56.287 -0.111 0.000 0.780 141 K CB -1.762 30.689 32.500 -0.081 0.000 1.220 141 K HN 0.585 nan 8.250 nan 0.000 0.483 142 R N 0.027 120.485 120.500 -0.070 0.000 2.700 142 R HA 0.184 4.525 4.340 0.002 0.000 0.377 142 R C -0.558 175.802 176.300 0.101 0.000 1.130 142 R CA -0.261 55.860 56.100 0.036 0.000 1.055 142 R CB 0.920 31.278 30.300 0.097 0.000 1.387 142 R HN 0.049 nan 8.270 nan 0.000 0.580 143 S N -0.054 115.679 115.700 0.055 0.000 2.562 143 S HA 0.235 4.706 4.470 0.002 0.000 0.281 143 S C 1.359 176.068 174.600 0.182 0.000 1.333 143 S CA 0.736 59.026 58.200 0.150 0.000 1.052 143 S CB 1.254 64.505 63.200 0.086 0.000 0.884 143 S HN 0.691 nan 8.310 nan 0.000 0.506 144 G N 2.006 110.989 108.800 0.304 0.000 2.189 144 G HA2 -0.333 3.629 3.960 0.002 0.000 0.267 144 G HA3 -0.333 3.629 3.960 0.002 0.000 0.267 144 G C 0.381 175.273 174.900 -0.014 0.000 0.975 144 G CA 0.490 45.600 45.100 0.017 0.000 0.644 144 G HN 1.156 nan 8.290 nan 0.000 0.537 145 S N -0.748 114.973 115.700 0.035 0.000 2.606 145 S HA 0.359 4.830 4.470 0.002 0.000 0.257 145 S C 1.387 175.964 174.600 -0.038 0.000 1.327 145 S CA 0.771 58.976 58.200 0.007 0.000 0.984 145 S CB 1.096 64.325 63.200 0.049 0.000 0.941 145 S HN 0.617 nan 8.310 nan 0.000 0.576 146 Q N 0.560 120.346 119.800 -0.024 0.000 2.084 146 Q HA -0.130 4.211 4.340 0.002 0.000 0.202 146 Q C 2.253 178.225 176.000 -0.047 0.000 0.978 146 Q CA 1.532 57.314 55.803 -0.035 0.000 0.844 146 Q CB -0.809 27.922 28.738 -0.011 0.000 0.898 146 Q HN 0.918 nan 8.270 nan 0.000 0.426 147 A N 0.288 123.100 122.820 -0.013 0.000 1.908 147 A HA -0.261 4.060 4.320 0.002 0.000 0.218 147 A C 1.898 179.347 177.584 -0.224 0.000 1.181 147 A CA 1.776 53.819 52.037 0.010 0.000 0.627 147 A CB -1.121 17.997 19.000 0.197 0.000 0.818 147 A HN 0.730 nan 8.150 nan 0.000 0.445 148 H N -0.751 117.903 119.070 -0.693 0.000 2.321 148 H HA -0.136 4.422 4.556 0.002 0.000 0.300 148 H C 2.005 177.027 175.328 -0.510 0.000 1.087 148 H CA 1.273 56.621 56.048 -1.166 0.000 1.319 148 H CB 0.150 29.401 29.762 -0.852 0.000 1.379 148 H HN 0.407 nan 8.280 nan 0.000 0.501 149 E N 0.802 120.837 120.200 -0.275 0.000 2.051 149 E HA -0.165 4.186 4.350 0.002 0.000 0.192 149 E C 2.111 178.630 176.600 -0.135 0.000 0.991 149 E CA 1.165 57.422 56.400 -0.238 0.000 0.799 149 E CB -0.240 29.353 29.700 -0.178 0.000 0.748 149 E HN 0.710 nan 8.360 nan 0.000 0.449 150 E N 0.422 120.568 120.200 -0.091 0.000 2.150 150 E HA -0.159 4.192 4.350 0.002 0.000 0.193 150 E C 2.180 178.774 176.600 -0.009 0.000 0.985 150 E CA 0.682 57.060 56.400 -0.038 0.000 0.814 150 E CB -0.076 29.617 29.700 -0.011 0.000 0.752 150 E HN -0.054 nan 8.360 nan 0.000 0.466 151 R N 1.606 122.105 120.500 -0.001 0.000 2.075 151 R HA -0.086 4.255 4.340 0.002 0.000 0.232 151 R C 2.134 178.463 176.300 0.048 0.000 1.126 151 R CA 1.167 57.311 56.100 0.073 0.000 0.963 151 R CB -0.696 29.715 30.300 0.185 0.000 0.858 151 R HN 0.148 nan 8.270 nan 0.000 0.435 152 L N 0.393 121.622 121.223 0.010 0.000 2.042 152 L HA -0.232 4.109 4.340 0.002 0.000 0.210 152 L C 2.562 179.410 176.870 -0.036 0.000 1.076 152 L CA 1.791 56.623 54.840 -0.013 0.000 0.749 152 L CB -0.465 41.557 42.059 -0.060 0.000 0.893 152 L HN 0.351 nan 8.230 nan 0.000 0.432 153 Q N -0.390 119.388 119.800 -0.036 0.000 2.119 153 Q HA -0.216 4.125 4.340 0.002 0.000 0.201 153 Q C 2.077 178.071 176.000 -0.011 0.000 0.972 153 Q CA 1.363 57.149 55.803 -0.029 0.000 0.847 153 Q CB -0.138 28.584 28.738 -0.028 0.000 0.903 153 Q HN 0.562 nan 8.270 nan 0.000 0.433 154 E N 0.258 120.462 120.200 0.008 0.000 2.058 154 E HA -0.173 4.178 4.350 0.002 0.000 0.194 154 E C 2.157 178.772 176.600 0.024 0.000 0.997 154 E CA 1.469 57.888 56.400 0.032 0.000 0.801 154 E CB -0.029 29.708 29.700 0.062 0.000 0.746 154 E HN 0.134 nan 8.360 nan 0.000 0.450 155 V N 1.958 121.861 119.914 -0.018 0.000 2.295 155 V HA -0.257 3.864 4.120 0.002 0.000 0.246 155 V C 2.155 178.182 176.094 -0.111 0.000 1.049 155 V CA 1.853 64.077 62.300 -0.125 0.000 1.024 155 V CB -0.556 31.075 31.823 -0.320 0.000 0.648 155 V HN 0.249 nan 8.190 nan 0.000 0.447 156 E N 0.643 120.795 120.200 -0.079 0.000 2.058 156 E HA -0.249 4.102 4.350 0.002 0.000 0.194 156 E C 2.384 178.974 176.600 -0.016 0.000 0.997 156 E CA 1.499 57.868 56.400 -0.052 0.000 0.801 156 E CB -0.405 29.271 29.700 -0.041 0.000 0.746 156 E HN 0.597 nan 8.360 nan 0.000 0.450 157 A N 1.608 124.428 122.820 -0.001 0.000 1.883 157 A HA -0.270 4.051 4.320 0.002 0.000 0.217 157 A C 2.076 179.683 177.584 0.038 0.000 1.186 157 A CA 1.819 53.867 52.037 0.018 0.000 0.624 157 A CB -0.539 18.475 19.000 0.023 0.000 0.822 157 A HN 0.244 nan 8.150 nan 0.000 0.444 158 E N -0.573 119.662 120.200 0.059 0.000 2.072 158 E HA -0.110 4.242 4.350 0.002 0.000 0.191 158 E C 1.943 178.601 176.600 0.097 0.000 0.985 158 E CA 1.230 57.691 56.400 0.103 0.000 0.801 158 E CB -0.080 29.724 29.700 0.174 0.000 0.750 158 E HN 0.360 nan 8.360 nan 0.000 0.452 159 V N 0.940 120.897 119.914 0.072 0.000 2.358 159 V HA -0.240 3.882 4.120 0.002 0.000 0.246 159 V C 2.343 178.462 176.094 0.043 0.000 1.047 159 V CA 1.746 64.085 62.300 0.065 0.000 1.035 159 V CB -0.643 31.197 31.823 0.029 0.000 0.658 159 V HN 0.379 nan 8.190 nan 0.000 0.452 160 A N -0.507 122.330 122.820 0.028 0.000 1.972 160 A HA -0.174 4.147 4.320 0.002 0.000 0.219 160 A C 2.404 180.004 177.584 0.027 0.000 1.169 160 A CA 2.315 54.365 52.037 0.021 0.000 0.635 160 A CB -0.388 18.620 19.000 0.013 0.000 0.810 160 A HN 0.541 nan 8.150 nan 0.000 0.446 161 S N -1.492 114.230 115.700 0.037 0.000 2.468 161 S HA -0.023 4.448 4.470 0.002 0.000 0.226 161 S C 1.935 176.561 174.600 0.044 0.000 1.051 161 S CA 1.239 59.461 58.200 0.038 0.000 0.943 161 S CB 0.019 63.243 63.200 0.040 0.000 0.810 161 S HN 0.863 nan 8.310 nan 0.000 0.509 162 T N -2.113 112.476 114.554 0.058 0.000 2.990 162 T HA 0.448 4.799 4.350 0.002 0.000 0.250 162 T C 1.481 176.212 174.700 0.053 0.000 1.041 162 T CA 0.853 62.990 62.100 0.063 0.000 1.010 162 T CB 0.382 69.305 68.868 0.092 0.000 1.003 162 T HN 0.550 nan 8.240 nan 0.000 0.499 163 G N 0.265 109.095 108.800 0.051 0.000 2.157 163 G HA2 -0.144 3.817 3.960 0.002 0.000 0.248 163 G HA3 -0.144 3.817 3.960 0.002 0.000 0.248 163 G C 0.157 175.083 174.900 0.044 0.000 0.979 163 G CA 0.519 45.644 45.100 0.041 0.000 0.650 163 G HN 1.055 nan 8.290 nan 0.000 0.529 164 T N -1.579 113.015 114.554 0.067 0.000 2.661 164 T HA 0.690 5.041 4.350 0.002 0.000 0.305 164 T C -1.205 173.581 174.700 0.142 0.000 1.441 164 T CA 0.444 62.576 62.100 0.054 0.000 0.999 164 T CB 1.298 70.118 68.868 -0.081 0.000 1.650 164 T HN 1.626 nan 8.240 nan 0.000 0.489 165 Y N -0.780 119.409 120.300 -0.184 0.000 2.764 165 Y HA 0.847 5.398 4.550 0.002 0.000 0.331 165 Y C -1.622 174.042 175.900 -0.394 0.000 1.280 165 Y CA -1.189 56.837 58.100 -0.124 0.000 1.065 165 Y CB 0.882 39.338 38.460 -0.006 0.000 1.319 165 Y HN 0.796 nan 8.280 nan 0.000 0.453 166 H N 0.428 119.522 119.070 0.040 0.000 2.768 166 H HA 0.643 5.200 4.556 0.002 0.000 0.371 166 H C -1.148 174.224 175.328 0.073 0.000 1.151 166 H CA -0.826 55.183 56.048 -0.064 0.000 1.165 166 H CB 2.051 31.821 29.762 0.013 0.000 1.722 166 H HN 0.704 nan 8.280 nan 0.000 0.543 167 L N 2.016 123.311 121.223 0.120 0.000 2.399 167 L HA 0.487 4.828 4.340 0.002 0.000 0.266 167 L C 0.521 177.460 176.870 0.115 0.000 1.114 167 L CA -0.688 54.242 54.840 0.150 0.000 0.804 167 L CB 0.813 42.925 42.059 0.088 0.000 1.146 167 L HN 0.416 nan 8.230 nan 0.000 0.451 168 R N 0.823 121.370 120.500 0.078 0.000 2.500 168 R HA 0.063 4.404 4.340 0.002 0.000 0.275 168 R C 0.926 177.220 176.300 -0.011 0.000 1.051 168 R CA -0.430 55.687 56.100 0.028 0.000 1.088 168 R CB 1.160 31.461 30.300 0.002 0.000 1.063 168 R HN 0.657 nan 8.270 nan 0.000 0.511 169 E N 1.336 121.529 120.200 -0.012 0.000 2.114 169 E HA -0.272 4.079 4.350 0.002 0.000 0.199 169 E C 1.462 178.046 176.600 -0.026 0.000 1.008 169 E CA 2.396 58.779 56.400 -0.028 0.000 0.810 169 E CB 0.084 29.771 29.700 -0.021 0.000 0.739 169 E HN 0.682 nan 8.360 nan 0.000 0.456 170 S N 0.098 115.783 115.700 -0.025 0.000 2.382 170 S HA -0.212 4.260 4.470 0.002 0.000 0.228 170 S C 1.793 176.382 174.600 -0.019 0.000 1.027 170 S CA 1.373 59.578 58.200 0.010 0.000 0.991 170 S CB -0.381 62.847 63.200 0.047 0.000 0.823 170 S HN 0.396 nan 8.310 nan 0.000 0.469 171 E N 0.977 121.044 120.200 -0.222 0.000 2.106 171 E HA -0.019 4.332 4.350 0.002 0.000 0.192 171 E C 2.045 178.776 176.600 0.217 0.000 0.984 171 E CA 0.961 57.245 56.400 -0.193 0.000 0.806 171 E CB -0.335 29.260 29.700 -0.175 0.000 0.750 171 E HN 0.437 nan 8.360 nan 0.000 0.458 172 L N 0.961 122.218 121.223 0.056 0.000 2.046 172 L HA -0.160 4.181 4.340 0.002 0.000 0.208 172 L C 2.197 179.060 176.870 -0.012 0.000 1.077 172 L CA 1.396 56.212 54.840 -0.041 0.000 0.747 172 L CB -0.298 41.671 42.059 -0.150 0.000 0.896 172 L HN -0.065 nan 8.230 nan 0.000 0.432 173 V N -0.406 119.528 119.914 0.033 0.000 2.295 173 V HA -0.311 3.810 4.120 0.002 0.000 0.246 173 V C 2.341 178.530 176.094 0.158 0.000 1.049 173 V CA 2.173 64.504 62.300 0.051 0.000 1.024 173 V CB -1.026 30.828 31.823 0.053 0.000 0.648 173 V HN 0.581 nan 8.190 nan 0.000 0.447 174 F N 2.154 122.189 119.950 0.142 0.000 2.134 174 F HA 0.006 4.535 4.527 0.002 0.000 0.299 174 F C 2.174 178.124 175.800 0.251 0.000 1.097 174 F CA 1.604 59.739 58.000 0.225 0.000 1.264 174 F CB -0.907 38.293 39.000 0.334 0.000 1.001 174 F HN 0.118 nan 8.300 nan 0.000 0.479 175 G N -0.058 108.848 108.800 0.177 0.000 2.418 175 G HA2 -0.230 3.731 3.960 0.002 0.000 0.217 175 G HA3 -0.230 3.731 3.960 0.002 0.000 0.217 175 G C 1.833 176.622 174.900 -0.184 0.000 1.158 175 G CA 0.906 46.004 45.100 -0.003 0.000 0.771 175 G HN 0.639 nan 8.290 nan 0.000 0.545 176 A N 0.951 123.690 122.820 -0.134 0.000 1.877 176 A HA -0.021 4.301 4.320 0.002 0.000 0.216 176 A C 2.306 179.892 177.584 0.003 0.000 1.186 176 A CA 2.017 53.978 52.037 -0.127 0.000 0.620 176 A CB -0.406 18.550 19.000 -0.072 0.000 0.822 176 A HN 0.374 nan 8.150 nan 0.000 0.443 177 K N -0.717 119.728 120.400 0.074 0.000 2.103 177 K HA -0.156 4.166 4.320 0.002 0.000 0.207 177 K C 2.284 178.976 176.600 0.153 0.000 1.048 177 K CA 1.406 57.844 56.287 0.253 0.000 0.930 177 K CB -0.128 32.550 32.500 0.296 0.000 0.716 177 K HN 0.405 nan 8.250 nan 0.000 0.444 178 Q N 0.055 119.761 119.800 -0.156 0.000 2.119 178 Q HA -0.058 4.283 4.340 0.002 0.000 0.201 178 Q C 2.199 178.072 176.000 -0.211 0.000 0.972 178 Q CA 1.421 57.040 55.803 -0.307 0.000 0.847 178 Q CB -0.254 28.198 28.738 -0.476 0.000 0.903 178 Q HN 0.330 nan 8.270 nan 0.000 0.433 179 A N 0.255 122.947 122.820 -0.213 0.000 1.902 179 A HA -0.186 4.135 4.320 0.002 0.000 0.217 179 A C 1.819 179.431 177.584 0.047 0.000 1.181 179 A CA 1.413 53.267 52.037 -0.305 0.000 0.623 179 A CB -0.909 17.554 19.000 -0.895 0.000 0.818 179 A HN 0.531 nan 8.150 nan 0.000 0.443 180 W N 0.935 122.255 121.300 0.034 0.000 2.379 180 W HA -0.109 4.552 4.660 0.002 0.000 0.307 180 W C 2.330 178.831 176.519 -0.031 0.000 1.200 180 W CA 1.484 58.893 57.345 0.106 0.000 1.297 180 W CB -0.735 28.786 29.460 0.101 0.000 1.140 180 W HN 0.366 nan 8.180 nan 0.000 0.507 181 R N 0.412 120.861 120.500 -0.085 0.000 2.139 181 R HA -0.193 4.148 4.340 0.002 0.000 0.243 181 R C 1.486 177.626 176.300 -0.267 0.000 1.145 181 R CA 1.894 57.714 56.100 -0.467 0.000 0.976 181 R CB -0.562 29.139 30.300 -0.998 0.000 0.866 181 R HN 0.125 nan 8.270 nan 0.000 0.449 182 N N 0.259 118.860 118.700 -0.164 0.000 2.412 182 N HA 0.027 4.768 4.740 0.002 0.000 0.184 182 N C -0.310 175.157 175.510 -0.073 0.000 1.101 182 N CA 0.625 53.599 53.050 -0.127 0.000 0.881 182 N CB 0.470 38.882 38.487 -0.124 0.000 0.969 182 N HN 0.166 nan 8.380 nan 0.000 0.459 183 A N 2.210 125.037 122.820 0.011 0.000 2.473 183 A HA 0.219 4.540 4.320 0.002 0.000 0.282 183 A C -1.260 176.308 177.584 -0.026 0.000 1.163 183 A CA -0.868 51.174 52.037 0.009 0.000 0.827 183 A CB 0.290 19.346 19.000 0.092 0.000 1.098 183 A HN 0.004 nan 8.150 nan 0.000 0.515 184 P HA -0.106 nan 4.420 nan 0.000 0.220 184 P C 1.118 178.378 177.300 -0.067 0.000 1.148 184 P CA 1.080 64.129 63.100 -0.086 0.000 0.803 184 P CB 0.163 31.774 31.700 -0.149 0.000 0.782 185 R N -2.081 118.341 120.500 -0.130 0.000 2.310 185 R HA 0.124 4.465 4.340 0.002 0.000 0.202 185 R C 0.289 176.608 176.300 0.032 0.000 0.933 185 R CA -0.086 55.960 56.100 -0.091 0.000 1.054 185 R CB -0.484 29.551 30.300 -0.442 0.000 0.985 185 R HN 0.181 nan 8.270 nan 0.000 0.489 186 C N 0.659 119.964 119.300 0.009 0.000 2.303 186 C HA 0.210 4.671 4.460 0.002 0.000 0.341 186 C C 1.835 176.779 174.990 -0.078 0.000 1.244 186 C CA -0.638 58.408 59.018 0.047 0.000 1.765 186 C CB 0.501 28.346 27.740 0.176 0.000 2.379 186 C HN 0.271 nan 8.230 nan 0.000 0.530 187 V N 6.017 125.831 119.914 -0.167 0.000 3.541 187 V HA 0.222 4.343 4.120 0.002 0.000 0.267 187 V C 1.729 177.813 176.094 -0.017 0.000 1.213 187 V CA 1.970 64.038 62.300 -0.385 0.000 1.149 187 V CB -0.060 31.569 31.823 -0.323 0.000 0.822 187 V HN 1.067 nan 8.190 nan 0.000 0.462 188 G N -0.682 108.164 108.800 0.077 0.000 3.434 188 G HA2 0.066 4.027 3.960 0.002 0.000 0.258 188 G HA3 0.066 4.027 3.960 0.002 0.000 0.258 188 G C 1.191 176.141 174.900 0.083 0.000 1.128 188 G CA -0.355 44.819 45.100 0.123 0.000 0.792 188 G HN 0.419 nan 8.290 nan 0.000 0.539 189 R N -0.171 120.302 120.500 -0.045 0.000 2.341 189 R HA 0.090 4.431 4.340 0.002 0.000 0.213 189 R C 1.931 177.817 176.300 -0.691 0.000 1.082 189 R CA 0.222 56.013 56.100 -0.516 0.000 1.017 189 R CB -0.159 29.814 30.300 -0.546 0.000 0.860 189 R HN 0.444 nan 8.270 nan 0.000 0.473 190 I N 0.818 121.162 120.570 -0.377 0.000 2.756 190 I HA -0.222 3.949 4.170 0.002 0.000 0.262 190 I C 1.306 177.347 176.117 -0.126 0.000 1.225 190 I CA 1.155 62.382 61.300 -0.121 0.000 1.472 190 I CB 0.171 38.208 38.000 0.063 0.000 1.094 190 I HN 0.199 nan 8.210 nan 0.000 0.454 191 Q N 0.381 120.042 119.800 -0.231 0.000 2.360 191 Q HA -0.086 4.256 4.340 0.002 0.000 0.202 191 Q C 1.620 177.210 176.000 -0.682 0.000 0.915 191 Q CA 0.273 55.935 55.803 -0.236 0.000 0.943 191 Q CB -0.157 28.612 28.738 0.052 0.000 1.064 191 Q HN 0.774 nan 8.270 nan 0.000 0.511 192 W N 0.377 120.932 121.300 -1.241 0.000 2.296 192 W HA -0.179 4.482 4.660 0.002 0.000 0.296 192 W C 1.139 177.351 176.519 -0.512 0.000 1.220 192 W CA 1.307 57.772 57.345 -1.466 0.000 1.223 192 W CB -1.307 27.539 29.460 -1.023 0.000 1.139 192 W HN 0.075 nan 8.180 nan 0.000 0.534 193 G N 1.098 109.253 108.800 -1.076 0.000 2.572 193 G HA2 -0.170 3.791 3.960 0.002 0.000 0.216 193 G HA3 -0.170 3.791 3.960 0.002 0.000 0.216 193 G C 0.785 175.494 174.900 -0.318 0.000 1.133 193 G CA 0.107 44.672 45.100 -0.890 0.000 0.791 193 G HN 0.269 nan 8.290 nan 0.000 0.538 194 K N 0.208 120.518 120.400 -0.150 0.000 2.357 194 K HA 0.538 4.859 4.320 0.002 0.000 0.251 194 K C -1.630 175.098 176.600 0.213 0.000 1.069 194 K CA -0.688 55.620 56.287 0.035 0.000 0.994 194 K CB 0.359 32.901 32.500 0.070 0.000 1.411 194 K HN 0.053 nan 8.250 nan 0.000 0.450 195 L N 3.327 124.645 121.223 0.159 0.000 2.482 195 L HA 0.303 4.644 4.340 0.002 0.000 0.269 195 L C -1.377 175.482 176.870 -0.019 0.000 0.967 195 L CA -0.389 54.544 54.840 0.155 0.000 0.851 195 L CB 1.924 44.149 42.059 0.276 0.000 1.242 195 L HN 0.518 nan 8.230 nan 0.000 0.404 196 Q N 3.278 123.010 119.800 -0.112 0.000 2.293 196 Q HA 0.494 4.835 4.340 0.002 0.000 0.263 196 Q C -1.503 174.128 176.000 -0.615 0.000 1.002 196 Q CA 0.028 55.589 55.803 -0.402 0.000 0.910 196 Q CB 1.108 29.506 28.738 -0.567 0.000 1.185 196 Q HN 0.526 nan 8.270 nan 0.000 0.401 197 V N 6.342 125.915 119.914 -0.569 0.000 2.350 197 V HA 0.392 4.513 4.120 0.002 0.000 0.276 197 V C -0.719 175.021 176.094 -0.591 0.000 1.028 197 V CA -0.533 61.481 62.300 -0.477 0.000 0.860 197 V CB 0.358 32.037 31.823 -0.239 0.000 0.990 197 V HN 0.632 nan 8.190 nan 0.000 0.453 198 F N 2.676 122.490 119.950 -0.227 0.000 2.385 198 F HA 0.368 4.896 4.527 0.002 0.000 0.360 198 F C 0.495 176.147 175.800 -0.248 0.000 1.122 198 F CA -1.151 56.722 58.000 -0.211 0.000 1.090 198 F CB 1.008 39.887 39.000 -0.202 0.000 1.150 198 F HN 0.422 nan 8.300 nan 0.000 0.472 199 D N 3.199 123.582 120.400 -0.029 0.000 2.352 199 D HA 0.332 4.974 4.640 0.002 0.000 0.245 199 D C 0.288 176.459 176.300 -0.215 0.000 1.224 199 D CA 0.167 54.082 54.000 -0.142 0.000 0.879 199 D CB 1.086 41.837 40.800 -0.083 0.000 1.057 199 D HN 0.617 nan 8.370 nan 0.000 0.491 200 A N 4.575 127.090 122.820 -0.508 0.000 2.574 200 A HA 0.146 4.467 4.320 0.002 0.000 0.283 200 A C 1.654 178.926 177.584 -0.520 0.000 1.270 200 A CA -0.366 51.104 52.037 -0.945 0.000 0.945 200 A CB 0.034 18.011 19.000 -1.705 0.000 1.127 200 A HN 0.544 nan 8.150 nan 0.000 0.522 201 R N 0.990 121.321 120.500 -0.281 0.000 2.285 201 R HA -0.060 4.281 4.340 0.002 0.000 0.213 201 R C -0.017 176.231 176.300 -0.087 0.000 1.068 201 R CA 1.129 57.141 56.100 -0.148 0.000 1.004 201 R CB 0.035 30.300 30.300 -0.058 0.000 0.873 201 R HN 0.642 nan 8.270 nan 0.000 0.467 202 D N -0.084 120.286 120.400 -0.051 0.000 3.163 202 D HA 0.013 4.654 4.640 0.002 0.000 0.284 202 D C -0.788 175.571 176.300 0.098 0.000 1.368 202 D CA -0.380 53.640 54.000 0.034 0.000 0.895 202 D CB -0.199 40.640 40.800 0.065 0.000 1.061 202 D HN -0.038 nan 8.370 nan 0.000 0.496 203 C N 1.183 120.510 119.300 0.046 0.000 2.379 203 C HA 0.659 5.120 4.460 0.002 0.000 0.323 203 C C 0.954 176.050 174.990 0.177 0.000 1.262 203 C CA -0.183 58.917 59.018 0.138 0.000 1.581 203 C CB 0.900 28.688 27.740 0.080 0.000 2.221 203 C HN 0.490 nan 8.230 nan 0.000 0.497 204 S N 2.320 118.179 115.700 0.263 0.000 2.937 204 S HA 0.394 4.865 4.470 0.002 0.000 0.252 204 S C -0.157 174.604 174.600 0.269 0.000 1.022 204 S CA 0.200 58.593 58.200 0.321 0.000 1.079 204 S CB -0.354 62.969 63.200 0.204 0.000 1.035 204 S HN 1.484 nan 8.310 nan 0.000 0.594 205 S N -0.497 115.363 115.700 0.267 0.000 2.565 205 S HA 0.789 5.260 4.470 0.002 0.000 0.269 205 S C 0.778 175.459 174.600 0.135 0.000 1.153 205 S CA -0.326 57.971 58.200 0.162 0.000 0.835 205 S CB 0.884 64.161 63.200 0.128 0.000 1.122 205 S HN 0.593 nan 8.310 nan 0.000 0.462 206 A N 0.850 123.724 122.820 0.089 0.000 1.933 206 A HA -0.083 4.238 4.320 0.002 0.000 0.218 206 A C 2.100 179.644 177.584 -0.068 0.000 1.175 206 A CA 2.234 54.296 52.037 0.042 0.000 0.628 206 A CB -1.167 17.932 19.000 0.164 0.000 0.814 206 A HN 0.921 nan 8.150 nan 0.000 0.444 207 Q N 0.305 120.166 119.800 0.101 0.000 2.084 207 Q HA -0.182 4.159 4.340 0.002 0.000 0.202 207 Q C 1.749 177.771 176.000 0.037 0.000 0.978 207 Q CA 2.331 58.186 55.803 0.086 0.000 0.844 207 Q CB -0.398 28.467 28.738 0.211 0.000 0.898 207 Q HN 0.752 nan 8.270 nan 0.000 0.426 208 E N -0.728 119.527 120.200 0.093 0.000 2.150 208 E HA -0.131 4.220 4.350 0.002 0.000 0.193 208 E C 1.996 178.736 176.600 0.234 0.000 0.985 208 E CA 1.160 57.656 56.400 0.161 0.000 0.814 208 E CB -0.101 29.738 29.700 0.231 0.000 0.752 208 E HN 0.452 nan 8.360 nan 0.000 0.466 209 M N -0.157 119.492 119.600 0.081 0.000 2.117 209 M HA -0.147 4.334 4.480 0.002 0.000 0.262 209 M C 2.125 178.431 176.300 0.009 0.000 1.065 209 M CA 1.380 56.644 55.300 -0.061 0.000 1.114 209 M CB -0.256 32.098 32.600 -0.410 0.000 1.361 209 M HN 0.140 nan 8.290 nan 0.000 0.408 210 F N 0.800 120.533 119.950 -0.362 0.000 2.171 210 F HA -0.224 4.304 4.527 0.002 0.000 0.300 210 F C 2.238 177.942 175.800 -0.161 0.000 1.090 210 F CA 1.598 59.343 58.000 -0.424 0.000 1.293 210 F CB -0.104 38.328 39.000 -0.945 0.000 1.013 210 F HN 0.036 nan 8.300 nan 0.000 0.486 211 T N -0.523 113.931 114.554 -0.167 0.000 2.737 211 T HA -0.222 4.130 4.350 0.002 0.000 0.265 211 T C 1.547 176.114 174.700 -0.223 0.000 1.038 211 T CA 1.800 63.755 62.100 -0.243 0.000 1.144 211 T CB -0.690 68.082 68.868 -0.159 0.000 0.866 211 T HN 0.335 nan 8.240 nan 0.000 0.434 212 Y N 0.892 121.148 120.300 -0.072 0.000 2.181 212 Y HA -0.042 4.510 4.550 0.002 0.000 0.288 212 Y C 2.262 178.123 175.900 -0.066 0.000 1.146 212 Y CA 0.906 58.982 58.100 -0.039 0.000 1.164 212 Y CB -0.357 38.200 38.460 0.162 0.000 0.982 212 Y HN 0.165 nan 8.280 nan 0.000 0.515 213 I N -1.524 119.127 120.570 0.134 0.000 2.286 213 I HA -0.355 3.817 4.170 0.002 0.000 0.248 213 I C 2.230 178.268 176.117 -0.132 0.000 1.115 213 I CA 0.892 62.203 61.300 0.018 0.000 1.392 213 I CB -0.435 37.560 38.000 -0.008 0.000 1.065 213 I HN 0.324 nan 8.210 nan 0.000 0.418 214 C N 0.668 119.778 119.300 -0.317 0.000 2.425 214 C HA -0.117 4.345 4.460 0.002 0.000 0.277 214 C C 2.602 177.485 174.990 -0.177 0.000 1.280 214 C CA 0.722 59.548 59.018 -0.320 0.000 1.744 214 C CB -1.364 26.075 27.740 -0.501 0.000 1.989 214 C HN 0.549 nan 8.230 nan 0.000 0.491 215 N N -0.044 118.539 118.700 -0.194 0.000 2.188 215 N HA -0.136 4.605 4.740 0.002 0.000 0.184 215 N C 1.467 176.877 175.510 -0.166 0.000 1.018 215 N CA 1.340 54.267 53.050 -0.205 0.000 0.858 215 N CB -0.789 37.504 38.487 -0.325 0.000 0.989 215 N HN 0.755 nan 8.380 nan 0.000 0.426 216 H N 0.715 119.628 119.070 -0.263 0.000 2.319 216 H HA 0.031 4.588 4.556 0.002 0.000 0.299 216 H C 2.159 177.510 175.328 0.039 0.000 1.092 216 H CA 1.443 57.407 56.048 -0.139 0.000 1.302 216 H CB -0.000 29.737 29.762 -0.041 0.000 1.373 216 H HN 0.079 nan 8.280 nan 0.000 0.497 217 I N 0.791 121.486 120.570 0.209 0.000 2.179 217 I HA -0.276 3.895 4.170 0.002 0.000 0.242 217 I C 2.391 178.582 176.117 0.123 0.000 1.088 217 I CA 1.458 62.840 61.300 0.137 0.000 1.357 217 I CB -0.255 37.745 38.000 -0.000 0.000 1.051 217 I HN 0.329 nan 8.210 nan 0.000 0.409 218 K N -0.024 120.417 120.400 0.069 0.000 2.063 218 K HA -0.249 4.072 4.320 0.002 0.000 0.208 218 K C 2.236 178.891 176.600 0.092 0.000 1.048 218 K CA 1.846 58.165 56.287 0.052 0.000 0.928 218 K CB -0.475 32.034 32.500 0.014 0.000 0.713 218 K HN 0.292 nan 8.250 nan 0.000 0.442 219 Y N 1.472 121.792 120.300 0.033 0.000 2.163 219 Y HA -0.189 4.362 4.550 0.002 0.000 0.288 219 Y C 2.287 178.261 175.900 0.124 0.000 1.136 219 Y CA 1.403 59.554 58.100 0.085 0.000 1.147 219 Y CB -0.339 38.205 38.460 0.139 0.000 0.987 219 Y HN 0.037 nan 8.280 nan 0.000 0.509 220 A N -0.682 122.339 122.820 0.337 0.000 1.933 220 A HA -0.155 4.166 4.320 0.002 0.000 0.218 220 A C 2.193 179.857 177.584 0.133 0.000 1.175 220 A CA 2.218 54.419 52.037 0.273 0.000 0.628 220 A CB -1.275 17.963 19.000 0.398 0.000 0.814 220 A HN 0.519 nan 8.150 nan 0.000 0.444 221 T N -0.557 114.064 114.554 0.110 0.000 2.737 221 T HA -0.103 4.249 4.350 0.002 0.000 0.265 221 T C 1.024 175.735 174.700 0.018 0.000 1.038 221 T CA 1.002 63.149 62.100 0.079 0.000 1.144 221 T CB -0.514 68.395 68.868 0.068 0.000 0.866 221 T HN 0.744 nan 8.240 nan 0.000 0.434 222 N N 0.832 119.512 118.700 -0.033 0.000 2.716 222 N HA -0.273 4.468 4.740 0.002 0.000 0.250 222 N C -0.603 174.882 175.510 -0.042 0.000 1.033 222 N CA 0.075 53.079 53.050 -0.077 0.000 0.727 222 N CB -0.553 37.849 38.487 -0.141 0.000 0.950 222 N HN 0.398 nan 8.380 nan 0.000 0.541 223 R N -2.372 118.115 120.500 -0.021 0.000 3.641 223 R HA -0.245 4.096 4.340 0.002 0.000 0.286 223 R C 1.166 177.453 176.300 -0.021 0.000 1.153 223 R CA 1.026 57.114 56.100 -0.020 0.000 0.775 223 R CB -2.149 28.136 30.300 -0.026 0.000 1.215 223 R HN 0.848 nan 8.270 nan 0.000 0.474 224 G N -0.040 108.756 108.800 -0.007 0.000 2.238 224 G HA2 -0.331 3.631 3.960 0.002 0.000 0.217 224 G HA3 -0.331 3.631 3.960 0.002 0.000 0.217 224 G C -0.027 174.869 174.900 -0.006 0.000 0.996 224 G CA 0.135 45.231 45.100 -0.006 0.000 0.632 224 G HN 0.486 nan 8.290 nan 0.000 0.503 225 N N 1.112 119.798 118.700 -0.024 0.000 3.322 225 N HA 0.443 5.184 4.740 0.002 0.000 0.290 225 N C 0.298 175.795 175.510 -0.022 0.000 1.297 225 N CA -0.744 52.277 53.050 -0.047 0.000 1.167 225 N CB -0.126 38.325 38.487 -0.061 0.000 1.434 225 N HN 0.151 nan 8.380 nan 0.000 0.526 226 L N 2.024 123.270 121.223 0.037 0.000 2.593 226 L HA -0.039 4.302 4.340 0.002 0.000 0.287 226 L C 0.616 177.620 176.870 0.224 0.000 1.243 226 L CA 1.231 56.166 54.840 0.158 0.000 0.890 226 L CB 0.087 42.330 42.059 0.308 0.000 1.134 226 L HN 0.368 nan 8.230 nan 0.000 0.502 227 R N 1.510 122.148 120.500 0.230 0.000 2.575 227 R HA 0.435 4.776 4.340 0.002 0.000 0.293 227 R C -0.635 175.846 176.300 0.302 0.000 0.983 227 R CA -0.690 55.568 56.100 0.264 0.000 0.887 227 R CB 1.716 32.046 30.300 0.051 0.000 1.184 227 R HN 0.576 nan 8.270 nan 0.000 0.445 228 S N 1.503 117.370 115.700 0.278 0.000 2.549 228 S HA 0.452 4.923 4.470 0.002 0.000 0.283 228 S C -0.231 174.427 174.600 0.097 0.000 1.320 228 S CA -0.202 58.055 58.200 0.095 0.000 1.058 228 S CB 1.171 64.353 63.200 -0.030 0.000 0.882 228 S HN 0.695 nan 8.310 nan 0.000 0.498 229 A N 2.711 125.553 122.820 0.037 0.000 2.606 229 A HA 0.834 5.155 4.320 0.002 0.000 0.293 229 A C -1.254 176.314 177.584 -0.027 0.000 1.082 229 A CA -0.664 51.320 52.037 -0.088 0.000 0.685 229 A CB 1.217 20.118 19.000 -0.165 0.000 1.284 229 A HN 0.798 nan 8.150 nan 0.000 0.408 230 I N 0.371 120.893 120.570 -0.080 0.000 2.722 230 I HA 0.638 4.809 4.170 0.002 0.000 0.295 230 I C -1.175 174.989 176.117 0.078 0.000 1.161 230 I CA -0.122 61.264 61.300 0.142 0.000 1.032 230 I CB 2.435 40.510 38.000 0.125 0.000 1.244 230 I HN 0.615 nan 8.210 nan 0.000 0.421 231 T N 6.154 120.811 114.554 0.171 0.000 2.792 231 T HA 0.475 4.827 4.350 0.002 0.000 0.280 231 T C -0.836 173.660 174.700 -0.340 0.000 0.990 231 T CA -0.377 61.689 62.100 -0.058 0.000 0.960 231 T CB 1.659 70.503 68.868 -0.041 0.000 0.939 231 T HN 0.258 nan 8.240 nan 0.000 0.439 232 V N 4.980 124.610 119.914 -0.473 0.000 2.328 232 V HA 0.480 4.601 4.120 0.002 0.000 0.278 232 V C -0.483 175.257 176.094 -0.589 0.000 1.021 232 V CA -0.808 61.203 62.300 -0.482 0.000 0.838 232 V CB 0.044 31.550 31.823 -0.528 0.000 0.999 232 V HN 0.715 nan 8.190 nan 0.000 0.447 233 F N 5.007 124.861 119.950 -0.160 0.000 2.362 233 F HA 0.505 5.033 4.527 0.002 0.000 0.311 233 F C -1.796 173.897 175.800 -0.179 0.000 1.161 233 F CA -2.533 55.307 58.000 -0.266 0.000 1.085 233 F CB 0.111 38.964 39.000 -0.246 0.000 1.311 233 F HN 0.289 nan 8.300 nan 0.000 0.524 234 P HA -0.051 nan 4.420 nan 0.000 0.261 234 P C -0.892 176.446 177.300 0.064 0.000 1.173 234 P CA 0.072 63.073 63.100 -0.166 0.000 0.760 234 P CB 0.148 31.506 31.700 -0.569 0.000 0.783 235 Q N 3.707 123.540 119.800 0.055 0.000 2.524 235 Q HA 0.137 4.478 4.340 0.002 0.000 0.246 235 Q C -0.228 175.693 176.000 -0.133 0.000 1.063 235 Q CA -0.286 55.314 55.803 -0.339 0.000 0.945 235 Q CB 0.534 28.821 28.738 -0.752 0.000 1.292 235 Q HN 0.350 nan 8.270 nan 0.000 0.518 236 R N -0.056 120.330 120.500 -0.190 0.000 2.594 236 R HA 0.475 4.817 4.340 0.002 0.000 0.272 236 R C -0.673 175.580 176.300 -0.079 0.000 1.074 236 R CA 0.206 56.267 56.100 -0.065 0.000 1.105 236 R CB 0.709 30.959 30.300 -0.082 0.000 1.008 236 R HN 0.714 nan 8.270 nan 0.000 0.472 237 A N 3.659 126.472 122.820 -0.012 0.000 2.414 237 A HA 0.536 4.858 4.320 0.002 0.000 0.306 237 A C -2.508 175.072 177.584 -0.006 0.000 1.054 237 A CA -2.086 49.944 52.037 -0.011 0.000 0.724 237 A CB 1.418 20.442 19.000 0.039 0.000 1.267 237 A HN 0.405 nan 8.150 nan 0.000 0.418 238 P HA 0.222 nan 4.420 nan 0.000 0.264 238 P C 1.168 178.470 177.300 0.005 0.000 1.183 238 P CA 2.178 65.274 63.100 -0.006 0.000 0.763 238 P CB 0.610 32.307 31.700 -0.004 0.000 0.807 239 G N 1.942 110.744 108.800 0.002 0.000 2.205 239 G HA2 -0.316 3.645 3.960 0.002 0.000 0.269 239 G HA3 -0.316 3.645 3.960 0.002 0.000 0.269 239 G C 0.395 175.300 174.900 0.008 0.000 0.977 239 G CA 0.156 45.260 45.100 0.006 0.000 0.652 239 G HN 0.711 nan 8.290 nan 0.000 0.539 240 R N 0.571 121.077 120.500 0.010 0.000 2.664 240 R HA 0.569 4.910 4.340 0.002 0.000 0.286 240 R C 0.916 177.219 176.300 0.005 0.000 0.967 240 R CA -0.008 56.098 56.100 0.010 0.000 0.933 240 R CB 0.862 31.176 30.300 0.023 0.000 1.146 240 R HN 0.284 nan 8.270 nan 0.000 0.468 241 G N 1.804 110.598 108.800 -0.010 0.000 2.594 241 G HA2 0.033 3.994 3.960 0.002 0.000 0.243 241 G HA3 0.033 3.994 3.960 0.002 0.000 0.243 241 G C -0.568 174.322 174.900 -0.016 0.000 1.229 241 G CA -0.397 44.696 45.100 -0.013 0.000 0.843 241 G HN 0.612 nan 8.290 nan 0.000 0.578 242 D N -0.437 119.973 120.400 0.016 0.000 2.312 242 D HA 0.320 4.962 4.640 0.002 0.000 0.248 242 D C -0.167 176.167 176.300 0.056 0.000 1.086 242 D CA 0.033 54.079 54.000 0.078 0.000 0.948 242 D CB 0.984 41.839 40.800 0.092 0.000 1.162 242 D HN 0.104 nan 8.370 nan 0.000 0.446 243 F N 1.113 121.099 119.950 0.060 0.000 2.412 243 F HA 0.321 4.849 4.527 0.002 0.000 0.348 243 F C 1.079 176.921 175.800 0.070 0.000 1.102 243 F CA 0.079 58.104 58.000 0.042 0.000 1.196 243 F CB 0.662 39.679 39.000 0.028 0.000 1.144 243 F HN -0.184 nan 8.300 nan 0.000 0.541 244 R N 3.367 124.001 120.500 0.223 0.000 2.707 244 R HA 0.523 4.865 4.340 0.002 0.000 0.272 244 R C -1.414 175.042 176.300 0.260 0.000 1.011 244 R CA -0.857 55.389 56.100 0.244 0.000 0.893 244 R CB 2.224 32.691 30.300 0.279 0.000 1.233 244 R HN 0.614 nan 8.270 nan 0.000 0.464 245 I N 1.737 122.455 120.570 0.247 0.000 2.354 245 I HA 0.178 4.349 4.170 0.002 0.000 0.286 245 I C 0.433 176.763 176.117 0.355 0.000 1.007 245 I CA -0.449 60.986 61.300 0.226 0.000 1.167 245 I CB 1.264 39.340 38.000 0.127 0.000 1.320 245 I HN 0.529 nan 8.210 nan 0.000 0.458 246 W N 3.469 124.817 121.300 0.081 0.000 2.388 246 W HA -0.088 4.574 4.660 0.002 0.000 0.294 246 W C 0.959 177.587 176.519 0.182 0.000 1.212 246 W CA 0.202 57.660 57.345 0.189 0.000 1.271 246 W CB -0.773 28.774 29.460 0.145 0.000 1.126 246 W HN 0.399 nan 8.180 nan 0.000 0.535 247 N N 0.008 118.872 118.700 0.274 0.000 2.479 247 N HA 0.014 4.755 4.740 0.002 0.000 0.257 247 N C 1.326 176.899 175.510 0.104 0.000 1.232 247 N CA 0.826 53.957 53.050 0.135 0.000 0.920 247 N CB 0.795 39.299 38.487 0.028 0.000 1.105 247 N HN -0.091 nan 8.380 nan 0.000 0.444 248 S N 0.860 116.612 115.700 0.087 0.000 2.428 248 S HA -0.046 4.425 4.470 0.002 0.000 0.230 248 S C 0.370 174.967 174.600 -0.006 0.000 1.014 248 S CA 0.720 58.957 58.200 0.061 0.000 0.957 248 S CB 0.068 63.323 63.200 0.090 0.000 0.784 248 S HN 0.655 nan 8.310 nan 0.000 0.499 249 Q N -0.787 118.993 119.800 -0.034 0.000 2.456 249 Q HA 0.500 4.842 4.340 0.002 0.000 0.283 249 Q C 0.139 176.048 176.000 -0.152 0.000 1.084 249 Q CA -0.561 55.179 55.803 -0.104 0.000 0.801 249 Q CB 1.955 30.657 28.738 -0.059 0.000 1.434 249 Q HN 0.131 nan 8.270 nan 0.000 0.419 250 L N 0.226 121.329 121.223 -0.201 0.000 2.275 250 L HA 0.029 4.370 4.340 0.002 0.000 0.215 250 L C 0.267 176.970 176.870 -0.278 0.000 1.119 250 L CA 0.739 55.458 54.840 -0.202 0.000 0.790 250 L CB 0.163 42.094 42.059 -0.213 0.000 0.919 250 L HN 0.246 nan 8.230 nan 0.000 0.443 251 V N 0.828 120.473 119.914 -0.447 0.000 2.444 251 V HA 0.481 4.602 4.120 0.002 0.000 0.294 251 V C -0.312 175.301 176.094 -0.801 0.000 1.022 251 V CA -0.691 61.168 62.300 -0.734 0.000 0.850 251 V CB 1.764 32.871 31.823 -1.194 0.000 0.992 251 V HN 0.138 nan 8.190 nan 0.000 0.426 252 R N 2.964 123.133 120.500 -0.552 0.000 2.604 252 R HA 0.486 4.828 4.340 0.002 0.000 0.281 252 R C -1.781 174.348 176.300 -0.285 0.000 1.020 252 R CA -0.750 55.147 56.100 -0.337 0.000 0.899 252 R CB 2.443 32.651 30.300 -0.154 0.000 1.205 252 R HN 0.577 nan 8.270 nan 0.000 0.450 253 Y N 0.582 120.873 120.300 -0.015 0.000 2.308 253 Y HA 0.403 4.954 4.550 0.002 0.000 0.329 253 Y C 1.027 176.882 175.900 -0.076 0.000 1.111 253 Y CA -0.583 57.512 58.100 -0.007 0.000 1.179 253 Y CB 1.110 39.618 38.460 0.080 0.000 1.201 253 Y HN 0.667 nan 8.280 nan 0.000 0.483 254 A N 1.874 124.712 122.820 0.029 0.000 2.466 254 A HA 0.516 4.837 4.320 0.002 0.000 0.238 254 A C 0.645 177.992 177.584 -0.395 0.000 1.074 254 A CA 0.334 52.218 52.037 -0.255 0.000 0.774 254 A CB -0.254 18.512 19.000 -0.391 0.000 1.015 254 A HN 0.956 nan 8.150 nan 0.000 0.498 255 G N 0.804 109.346 108.800 -0.430 0.000 2.728 255 G HA2 0.540 4.501 3.960 0.002 0.000 0.296 255 G HA3 0.540 4.501 3.960 0.002 0.000 0.296 255 G C -1.011 173.722 174.900 -0.278 0.000 1.401 255 G CA -0.279 44.636 45.100 -0.307 0.000 1.007 255 G HN 0.553 nan 8.290 nan 0.000 0.527 256 Y N 1.819 122.131 120.300 0.019 0.000 2.341 256 Y HA 0.442 4.993 4.550 0.002 0.000 0.340 256 Y C 1.119 177.021 175.900 0.002 0.000 0.997 256 Y CA -0.935 57.179 58.100 0.024 0.000 1.149 256 Y CB 1.370 39.844 38.460 0.024 0.000 1.171 256 Y HN 0.215 nan 8.280 nan 0.000 0.494 257 R N 4.460 125.050 120.500 0.150 0.000 2.340 257 R HA 0.248 4.589 4.340 0.002 0.000 0.300 257 R C -0.329 176.016 176.300 0.074 0.000 1.069 257 R CA -0.394 55.756 56.100 0.083 0.000 0.984 257 R CB 0.969 31.304 30.300 0.058 0.000 1.003 257 R HN 0.789 nan 8.270 nan 0.000 0.459 258 Q N 1.972 121.801 119.800 0.048 0.000 2.511 258 Q HA 0.165 4.506 4.340 0.002 0.000 0.289 258 Q C -0.181 175.828 176.000 0.016 0.000 1.021 258 Q CA -0.962 54.858 55.803 0.027 0.000 0.785 258 Q CB 1.549 30.298 28.738 0.019 0.000 1.472 258 Q HN 0.725 nan 8.270 nan 0.000 0.411 259 Q N 1.067 120.871 119.800 0.007 0.000 2.375 259 Q HA -0.316 4.025 4.340 0.002 0.000 0.443 259 Q C -0.378 175.626 176.000 0.007 0.000 0.608 259 Q CA 2.304 58.109 55.803 0.003 0.000 0.954 259 Q CB -2.273 26.465 28.738 0.001 0.000 2.600 259 Q HN 0.964 nan 8.270 nan 0.000 0.974 260 D N 2.027 122.431 120.400 0.006 0.000 2.934 260 D HA 0.297 4.938 4.640 0.002 0.000 0.237 260 D C 1.263 177.570 176.300 0.010 0.000 1.158 260 D CA 0.645 54.649 54.000 0.007 0.000 0.971 260 D CB -0.095 40.709 40.800 0.006 0.000 1.123 260 D HN 0.953 nan 8.370 nan 0.000 0.467 261 G N 1.031 109.839 108.800 0.013 0.000 2.353 261 G HA2 -0.404 3.557 3.960 0.002 0.000 0.258 261 G HA3 -0.404 3.557 3.960 0.002 0.000 0.258 261 G C 0.702 175.611 174.900 0.016 0.000 1.013 261 G CA 0.842 45.952 45.100 0.016 0.000 0.622 261 G HN 0.888 nan 8.290 nan 0.000 0.535 262 S N -0.875 114.833 115.700 0.013 0.000 2.614 262 S HA 0.472 4.943 4.470 0.002 0.000 0.251 262 S C 0.113 174.719 174.600 0.010 0.000 1.388 262 S CA 0.442 58.648 58.200 0.009 0.000 0.973 262 S CB 1.718 64.923 63.200 0.008 0.000 0.926 262 S HN 1.334 nan 8.310 nan 0.000 0.580 263 V N 0.948 120.859 119.914 -0.004 0.000 2.733 263 V HA 0.499 4.620 4.120 0.002 0.000 0.306 263 V C -0.134 175.941 176.094 -0.032 0.000 1.084 263 V CA -0.775 61.519 62.300 -0.010 0.000 0.905 263 V CB 1.804 33.603 31.823 -0.040 0.000 1.010 263 V HN 0.948 nan 8.190 nan 0.000 0.424 264 R N 2.615 123.130 120.500 0.024 0.000 2.265 264 R HA 0.682 5.023 4.340 0.002 0.000 0.319 264 R C 0.615 176.889 176.300 -0.043 0.000 1.006 264 R CA 0.953 57.069 56.100 0.026 0.000 0.880 264 R CB 1.098 31.480 30.300 0.137 0.000 1.077 264 R HN 1.237 nan 8.270 nan 0.000 0.454 265 G N 3.030 111.700 108.800 -0.216 0.000 2.443 265 G HA2 -0.239 3.722 3.960 0.002 0.000 0.209 265 G HA3 -0.239 3.722 3.960 0.002 0.000 0.209 265 G C -1.349 173.157 174.900 -0.657 0.000 1.176 265 G CA -0.134 44.754 45.100 -0.352 0.000 1.074 265 G HN 0.611 nan 8.290 nan 0.000 0.577 266 D N 1.590 121.763 120.400 -0.379 0.000 2.412 266 D HA 0.594 5.235 4.640 0.002 0.000 0.224 266 D C -1.174 175.036 176.300 -0.150 0.000 1.093 266 D CA -2.019 51.804 54.000 -0.294 0.000 0.850 266 D CB 1.606 42.520 40.800 0.189 0.000 1.046 266 D HN -0.022 nan 8.370 nan 0.000 0.507 267 P HA -0.099 nan 4.420 nan 0.000 0.221 267 P C 0.862 178.167 177.300 0.009 0.000 1.145 267 P CA 0.911 63.974 63.100 -0.061 0.000 0.795 267 P CB 0.318 31.991 31.700 -0.044 0.000 0.775 268 A N -0.470 122.375 122.820 0.040 0.000 2.066 268 A HA -0.106 4.216 4.320 0.002 0.000 0.218 268 A C 1.588 179.217 177.584 0.076 0.000 1.157 268 A CA 1.251 53.340 52.037 0.086 0.000 0.670 268 A CB -0.793 18.283 19.000 0.126 0.000 0.804 268 A HN 0.160 nan 8.150 nan 0.000 0.453 269 N N -0.089 118.638 118.700 0.045 0.000 2.273 269 N HA 0.142 4.883 4.740 0.002 0.000 0.231 269 N C 1.070 176.564 175.510 -0.026 0.000 1.134 269 N CA 0.174 53.234 53.050 0.016 0.000 0.856 269 N CB 0.660 39.150 38.487 0.006 0.000 1.068 269 N HN 0.209 nan 8.380 nan 0.000 0.510 270 V N 0.991 120.897 119.914 -0.014 0.000 2.255 270 V HA -0.240 3.881 4.120 0.002 0.000 0.247 270 V C 2.449 178.534 176.094 -0.015 0.000 1.051 270 V CA 1.776 64.066 62.300 -0.018 0.000 1.018 270 V CB -0.297 31.529 31.823 0.005 0.000 0.641 270 V HN 0.379 nan 8.190 nan 0.000 0.445 271 E N -0.340 119.856 120.200 -0.007 0.000 2.051 271 E HA -0.262 4.089 4.350 0.002 0.000 0.192 271 E C 2.152 178.667 176.600 -0.143 0.000 0.991 271 E CA 1.733 58.105 56.400 -0.048 0.000 0.799 271 E CB -0.165 29.543 29.700 0.013 0.000 0.748 271 E HN 0.487 nan 8.360 nan 0.000 0.449 272 I N 0.746 121.243 120.570 -0.122 0.000 2.394 272 I HA -0.200 3.971 4.170 0.002 0.000 0.251 272 I C 2.065 178.111 176.117 -0.118 0.000 1.136 272 I CA 1.517 62.720 61.300 -0.161 0.000 1.425 272 I CB -0.384 37.574 38.000 -0.070 0.000 1.079 272 I HN 0.068 nan 8.210 nan 0.000 0.425 273 T N 0.392 114.898 114.554 -0.081 0.000 2.746 273 T HA -0.171 4.181 4.350 0.002 0.000 0.267 273 T C 1.738 176.484 174.700 0.076 0.000 1.039 273 T CA 1.809 63.888 62.100 -0.035 0.000 1.142 273 T CB -0.236 68.595 68.868 -0.062 0.000 0.866 273 T HN 0.477 nan 8.240 nan 0.000 0.444 274 E N 0.642 120.866 120.200 0.040 0.000 2.106 274 E HA -0.020 4.331 4.350 0.002 0.000 0.192 274 E C 2.235 178.870 176.600 0.057 0.000 0.984 274 E CA 0.710 57.149 56.400 0.065 0.000 0.806 274 E CB -0.244 29.471 29.700 0.025 0.000 0.750 274 E HN 0.395 nan 8.360 nan 0.000 0.458 275 L N 0.398 121.611 121.223 -0.015 0.000 2.046 275 L HA -0.241 4.100 4.340 0.002 0.000 0.208 275 L C 2.577 179.528 176.870 0.134 0.000 1.077 275 L CA 0.842 55.700 54.840 0.029 0.000 0.747 275 L CB -0.377 41.606 42.059 -0.128 0.000 0.896 275 L HN 0.334 nan 8.230 nan 0.000 0.432 276 C N -0.120 119.210 119.300 0.050 0.000 2.432 276 C HA -0.164 4.297 4.460 0.002 0.000 0.277 276 C C 2.707 177.856 174.990 0.266 0.000 1.249 276 C CA 0.461 59.520 59.018 0.068 0.000 1.725 276 C CB -0.647 27.024 27.740 -0.114 0.000 2.028 276 C HN 0.420 nan 8.230 nan 0.000 0.477 277 I N 0.817 121.584 120.570 0.329 0.000 2.127 277 I HA -0.313 3.858 4.170 0.002 0.000 0.241 277 I C 2.820 179.026 176.117 0.147 0.000 1.075 277 I CA 2.074 63.544 61.300 0.285 0.000 1.334 277 I CB -0.851 37.285 38.000 0.227 0.000 1.040 277 I HN 0.499 nan 8.210 nan 0.000 0.405 278 Q N 0.864 120.730 119.800 0.111 0.000 2.197 278 Q HA -0.261 4.080 4.340 0.002 0.000 0.207 278 Q C 1.098 177.045 176.000 -0.089 0.000 0.984 278 Q CA 1.833 57.639 55.803 0.005 0.000 0.869 278 Q CB -0.181 28.555 28.738 -0.004 0.000 0.906 278 Q HN 0.594 nan 8.270 nan 0.000 0.426 279 H N -1.266 117.796 119.070 -0.013 0.000 2.610 279 H HA 0.300 4.857 4.556 0.002 0.000 0.302 279 H C 0.627 175.934 175.328 -0.035 0.000 1.063 279 H CA 0.647 56.662 56.048 -0.055 0.000 1.159 279 H CB 0.614 30.300 29.762 -0.127 0.000 1.427 279 H HN 0.542 nan 8.280 nan 0.000 0.553 280 G N -0.421 108.419 108.800 0.066 0.000 2.176 280 G HA2 -0.275 3.686 3.960 0.002 0.000 0.232 280 G HA3 -0.275 3.686 3.960 0.002 0.000 0.232 280 G C 0.101 175.065 174.900 0.107 0.000 0.986 280 G CA -0.117 45.011 45.100 0.046 0.000 0.643 280 G HN 0.418 nan 8.290 nan 0.000 0.522 281 W N 2.719 124.002 121.300 -0.029 0.000 2.253 281 W HA 0.611 5.272 4.660 0.002 0.000 0.322 281 W C 0.311 176.827 176.519 -0.005 0.000 1.342 281 W CA 0.442 57.774 57.345 -0.022 0.000 1.218 281 W CB 0.701 30.157 29.460 -0.006 0.000 1.205 281 W HN 0.033 nan 8.180 nan 0.000 0.551 282 T N 9.835 124.043 114.554 -0.576 0.000 2.782 282 T HA 0.159 4.510 4.350 0.002 0.000 0.298 282 T C -1.994 171.962 174.700 -1.240 0.000 0.944 282 T CA -0.865 60.858 62.100 -0.628 0.000 1.001 282 T CB 0.117 68.763 68.868 -0.370 0.000 0.932 282 T HN 0.244 nan 8.240 nan 0.000 0.524 283 P HA 0.251 nan 4.420 nan 0.000 0.270 283 P C 0.418 177.316 177.300 -0.670 0.000 1.223 283 P CA -0.199 62.181 63.100 -1.200 0.000 0.785 283 P CB 0.879 32.315 31.700 -0.441 0.000 0.923 284 G N 1.079 109.651 108.800 -0.380 0.000 2.736 284 G HA2 0.381 4.342 3.960 0.002 0.000 0.229 284 G HA3 0.381 4.342 3.960 0.002 0.000 0.229 284 G C 0.002 174.637 174.900 -0.443 0.000 1.380 284 G CA -0.595 44.386 45.100 -0.198 0.000 1.040 284 G HN 0.660 nan 8.290 nan 0.000 0.568 285 N N -1.397 117.165 118.700 -0.230 0.000 2.381 285 N HA 0.267 5.008 4.740 0.002 0.000 0.257 285 N C 0.285 175.797 175.510 0.003 0.000 1.409 285 N CA 0.080 52.954 53.050 -0.292 0.000 0.836 285 N CB 0.540 38.889 38.487 -0.230 0.000 1.384 285 N HN 0.688 nan 8.380 nan 0.000 0.490 286 G N -0.012 108.898 108.800 0.182 0.000 2.557 286 G HA2 0.379 4.340 3.960 0.002 0.000 0.302 286 G HA3 0.379 4.340 3.960 0.002 0.000 0.302 286 G C 0.397 175.411 174.900 0.190 0.000 1.311 286 G CA -0.792 44.419 45.100 0.184 0.000 1.030 286 G HN 0.125 nan 8.290 nan 0.000 0.509 287 R N -1.329 119.211 120.500 0.066 0.000 2.254 287 R HA 0.146 4.487 4.340 0.002 0.000 0.195 287 R C -0.134 175.811 176.300 -0.592 0.000 0.957 287 R CA 0.593 56.559 56.100 -0.224 0.000 1.024 287 R CB 0.198 30.313 30.300 -0.309 0.000 0.952 287 R HN 0.391 nan 8.270 nan 0.000 0.484 288 F N 0.939 120.857 119.950 -0.053 0.000 2.623 288 F HA 0.252 4.780 4.527 0.002 0.000 0.361 288 F C -0.706 175.085 175.800 -0.015 0.000 1.469 288 F CA -1.091 56.657 58.000 -0.421 0.000 1.126 288 F CB 0.637 39.163 39.000 -0.791 0.000 1.221 288 F HN -0.285 nan 8.300 nan 0.000 0.536 289 D N 1.767 122.349 120.400 0.302 0.000 2.325 289 D HA 0.156 4.797 4.640 0.002 0.000 0.251 289 D C 0.254 176.790 176.300 0.394 0.000 1.196 289 D CA 0.130 54.359 54.000 0.382 0.000 0.866 289 D CB 2.151 43.236 40.800 0.476 0.000 1.101 289 D HN -0.047 nan 8.370 nan 0.000 0.476 290 V N 4.079 124.199 119.914 0.343 0.000 2.493 290 V HA -0.040 4.082 4.120 0.002 0.000 0.292 290 V C 1.081 177.172 176.094 -0.005 0.000 1.016 290 V CA -0.096 62.287 62.300 0.140 0.000 1.097 290 V CB 0.003 31.875 31.823 0.080 0.000 0.947 290 V HN 0.335 nan 8.190 nan 0.000 0.479 291 L N 8.299 129.414 121.223 -0.181 0.000 2.464 291 L HA 0.359 4.700 4.340 0.002 0.000 0.264 291 L C -1.663 174.951 176.870 -0.426 0.000 1.199 291 L CA -1.343 53.223 54.840 -0.456 0.000 0.818 291 L CB 0.803 42.606 42.059 -0.425 0.000 1.102 291 L HN 0.481 nan 8.230 nan 0.000 0.473 292 P HA 0.285 nan 4.420 nan 0.000 0.281 292 P C -1.250 175.892 177.300 -0.263 0.000 1.264 292 P CA -0.570 62.294 63.100 -0.393 0.000 0.824 292 P CB 1.153 32.531 31.700 -0.537 0.000 1.092 293 L N 1.248 122.408 121.223 -0.104 0.000 2.307 293 L HA 0.402 4.743 4.340 0.002 0.000 0.282 293 L C 0.474 177.324 176.870 -0.032 0.000 1.051 293 L CA -0.778 54.042 54.840 -0.033 0.000 0.804 293 L CB 0.629 42.735 42.059 0.077 0.000 1.197 293 L HN 0.206 nan 8.230 nan 0.000 0.431 294 L N 5.273 126.451 121.223 -0.075 0.000 2.272 294 L HA 0.440 4.781 4.340 0.002 0.000 0.284 294 L C -0.560 176.214 176.870 -0.160 0.000 1.045 294 L CA -0.246 54.464 54.840 -0.217 0.000 0.842 294 L CB 0.804 42.632 42.059 -0.385 0.000 1.224 294 L HN 0.454 nan 8.230 nan 0.000 0.430 295 L N 4.002 125.188 121.223 -0.062 0.000 2.295 295 L HA 0.494 4.835 4.340 0.002 0.000 0.285 295 L C -0.197 176.616 176.870 -0.095 0.000 1.035 295 L CA -0.353 54.464 54.840 -0.040 0.000 0.806 295 L CB 1.727 43.760 42.059 -0.043 0.000 1.214 295 L HN 0.562 nan 8.230 nan 0.000 0.426 296 Q N 2.580 122.344 119.800 -0.061 0.000 2.325 296 Q HA 0.675 5.017 4.340 0.002 0.000 0.270 296 Q C -1.077 174.872 176.000 -0.086 0.000 1.020 296 Q CA -0.586 55.180 55.803 -0.062 0.000 0.785 296 Q CB 2.173 30.944 28.738 0.055 0.000 1.259 296 Q HN 0.787 nan 8.270 nan 0.000 0.452 297 A N 4.926 127.648 122.820 -0.164 0.000 2.286 297 A HA 0.633 4.954 4.320 0.002 0.000 0.286 297 A C -2.405 174.930 177.584 -0.414 0.000 1.097 297 A CA -1.612 50.182 52.037 -0.405 0.000 0.821 297 A CB 0.094 18.951 19.000 -0.238 0.000 1.076 297 A HN 0.639 nan 8.150 nan 0.000 0.490 298 P HA -0.001 nan 4.420 nan 0.000 0.261 298 P C -0.566 176.635 177.300 -0.164 0.000 1.173 298 P CA 0.849 63.735 63.100 -0.356 0.000 0.760 298 P CB 0.113 31.592 31.700 -0.368 0.000 0.783 299 D N 0.005 120.358 120.400 -0.079 0.000 2.882 299 D HA -0.187 4.454 4.640 0.002 0.000 0.229 299 D C -0.014 176.274 176.300 -0.020 0.000 1.167 299 D CA 1.340 55.324 54.000 -0.027 0.000 0.759 299 D CB -0.476 40.310 40.800 -0.023 0.000 1.088 299 D HN 0.455 nan 8.370 nan 0.000 0.425 300 E N -0.696 119.485 120.200 -0.031 0.000 2.312 300 E HA 0.663 5.014 4.350 0.002 0.000 0.267 300 E C -0.000 176.593 176.600 -0.011 0.000 0.894 300 E CA -0.758 55.627 56.400 -0.025 0.000 0.773 300 E CB 1.722 31.391 29.700 -0.052 0.000 1.241 300 E HN 0.131 nan 8.360 nan 0.000 0.432 301 A N 3.374 126.189 122.820 -0.009 0.000 2.483 301 A HA 0.332 4.654 4.320 0.002 0.000 0.238 301 A C -1.962 175.536 177.584 -0.143 0.000 1.070 301 A CA -0.773 51.252 52.037 -0.020 0.000 0.770 301 A CB -0.540 18.470 19.000 0.017 0.000 1.008 301 A HN 0.291 nan 8.150 nan 0.000 0.497 302 P HA 0.176 nan 4.420 nan 0.000 0.272 302 P C -0.582 176.485 177.300 -0.389 0.000 1.223 302 P CA 0.118 62.878 63.100 -0.565 0.000 0.784 302 P CB 0.725 31.589 31.700 -1.394 0.000 0.923 303 E N 0.541 120.592 120.200 -0.248 0.000 2.212 303 E HA 0.439 4.790 4.350 0.002 0.000 0.270 303 E C -0.805 175.595 176.600 -0.334 0.000 0.956 303 E CA -1.055 55.199 56.400 -0.243 0.000 0.825 303 E CB 1.358 30.984 29.700 -0.123 0.000 1.167 303 E HN 0.264 nan 8.360 nan 0.000 0.400 304 L N 2.943 123.851 121.223 -0.526 0.000 2.275 304 L HA 0.442 4.784 4.340 0.002 0.000 0.288 304 L C -1.611 174.763 176.870 -0.827 0.000 1.046 304 L CA 0.069 54.630 54.840 -0.465 0.000 0.805 304 L CB 0.187 42.082 42.059 -0.274 0.000 1.193 304 L HN 0.394 nan 8.230 nan 0.000 0.426 305 F N 4.108 123.840 119.950 -0.362 0.000 2.547 305 F HA 0.490 5.018 4.527 0.002 0.000 0.316 305 F C -0.291 175.264 175.800 -0.407 0.000 1.121 305 F CA -0.911 56.721 58.000 -0.615 0.000 0.911 305 F CB 1.896 40.153 39.000 -1.239 0.000 1.179 305 F HN 0.006 nan 8.300 nan 0.000 0.443 306 V N 4.816 124.642 119.914 -0.147 0.000 2.383 306 V HA 0.275 4.396 4.120 0.002 0.000 0.275 306 V C 0.180 176.389 176.094 0.192 0.000 1.036 306 V CA -0.718 61.597 62.300 0.024 0.000 0.889 306 V CB 1.180 33.042 31.823 0.067 0.000 0.985 306 V HN 0.545 nan 8.190 nan 0.000 0.459 307 L N 7.604 128.957 121.223 0.218 0.000 2.455 307 L HA 0.246 4.587 4.340 0.002 0.000 0.272 307 L C -2.075 174.900 176.870 0.176 0.000 1.174 307 L CA -1.410 53.588 54.840 0.262 0.000 0.869 307 L CB 0.428 42.566 42.059 0.131 0.000 1.130 307 L HN 0.431 nan 8.230 nan 0.000 0.474 308 P HA 0.060 nan 4.420 nan 0.000 0.265 308 P C -1.973 175.372 177.300 0.076 0.000 1.222 308 P CA -0.914 62.253 63.100 0.113 0.000 0.767 308 P CB 0.437 32.191 31.700 0.090 0.000 0.801 309 P HA -0.272 nan 4.420 nan 0.000 0.218 309 P C 1.353 178.681 177.300 0.046 0.000 1.152 309 P CA 1.475 64.614 63.100 0.064 0.000 0.857 309 P CB -0.175 31.566 31.700 0.068 0.000 0.787 310 E N -0.856 119.368 120.200 0.040 0.000 2.409 310 E HA -0.126 4.225 4.350 0.002 0.000 0.198 310 E C 1.497 178.109 176.600 0.020 0.000 1.024 310 E CA 0.942 57.358 56.400 0.027 0.000 0.861 310 E CB -0.851 28.863 29.700 0.023 0.000 0.788 310 E HN 0.246 nan 8.360 nan 0.000 0.521 311 L N 0.679 121.915 121.223 0.021 0.000 2.354 311 L HA 0.078 4.419 4.340 0.002 0.000 0.212 311 L C 0.818 177.695 176.870 0.012 0.000 1.091 311 L CA 0.472 55.318 54.840 0.009 0.000 0.828 311 L CB 0.515 42.571 42.059 -0.005 0.000 0.973 311 L HN -0.123 nan 8.230 nan 0.000 0.461 312 V N 1.904 121.828 119.914 0.016 0.000 2.267 312 V HA 0.137 4.258 4.120 0.002 0.000 0.254 312 V C 0.054 176.170 176.094 0.037 0.000 1.144 312 V CA -0.698 61.610 62.300 0.013 0.000 0.992 312 V CB 0.465 32.288 31.823 -0.001 0.000 1.199 312 V HN 0.024 nan 8.190 nan 0.000 0.493 313 L N 5.420 126.670 121.223 0.045 0.000 2.410 313 L HA 0.346 4.687 4.340 0.002 0.000 0.273 313 L C 0.268 177.174 176.870 0.060 0.000 1.144 313 L CA 0.850 55.712 54.840 0.038 0.000 0.863 313 L CB 0.183 42.260 42.059 0.030 0.000 1.140 313 L HN 0.627 nan 8.230 nan 0.000 0.463 314 E N 3.361 123.576 120.200 0.025 0.000 2.299 314 E HA 0.603 4.955 4.350 0.002 0.000 0.265 314 E C -1.438 175.111 176.600 -0.086 0.000 0.911 314 E CA -1.053 55.364 56.400 0.028 0.000 0.789 314 E CB 2.436 32.180 29.700 0.072 0.000 1.246 314 E HN 0.360 nan 8.360 nan 0.000 0.427 315 V N 3.042 122.876 119.914 -0.133 0.000 2.407 315 V HA 0.302 4.423 4.120 0.002 0.000 0.291 315 V C -2.288 173.739 176.094 -0.111 0.000 1.018 315 V CA -1.845 60.313 62.300 -0.237 0.000 0.842 315 V CB 1.362 32.801 31.823 -0.640 0.000 0.996 315 V HN 0.548 nan 8.190 nan 0.000 0.426 316 P HA 0.251 nan 4.420 nan 0.000 0.276 316 P C -0.723 176.578 177.300 0.002 0.000 1.235 316 P CA -0.115 62.949 63.100 -0.060 0.000 0.772 316 P CB 1.134 32.805 31.700 -0.049 0.000 0.871 317 L N 3.563 124.823 121.223 0.061 0.000 2.305 317 L HA 0.404 4.745 4.340 0.002 0.000 0.281 317 L C 1.164 178.194 176.870 0.266 0.000 1.085 317 L CA -0.104 54.843 54.840 0.177 0.000 0.813 317 L CB 0.467 42.704 42.059 0.297 0.000 1.157 317 L HN 0.523 nan 8.230 nan 0.000 0.436 318 E N 2.188 122.510 120.200 0.202 0.000 2.408 318 E HA 0.374 4.725 4.350 0.002 0.000 0.275 318 E C -1.447 175.165 176.600 0.020 0.000 0.935 318 E CA -0.933 55.596 56.400 0.215 0.000 0.775 318 E CB 2.246 32.043 29.700 0.161 0.000 1.277 318 E HN 0.500 nan 8.360 nan 0.000 0.455 319 H N 1.941 120.878 119.070 -0.222 0.000 2.472 319 H HA 0.246 4.803 4.556 0.002 0.000 0.338 319 H C -1.747 173.297 175.328 -0.474 0.000 1.133 319 H CA -2.216 53.549 56.048 -0.471 0.000 1.216 319 H CB 2.008 31.391 29.762 -0.632 0.000 1.497 319 H HN 0.430 nan 8.280 nan 0.000 0.500 320 P HA -0.145 nan 4.420 nan 0.000 0.218 320 P C 0.931 178.074 177.300 -0.261 0.000 1.148 320 P CA 1.999 64.591 63.100 -0.848 0.000 0.822 320 P CB 0.409 31.592 31.700 -0.862 0.000 0.784 321 T N -4.793 109.802 114.554 0.068 0.000 2.980 321 T HA 0.200 4.551 4.350 0.002 0.000 0.252 321 T C 0.885 175.549 174.700 -0.059 0.000 0.962 321 T CA -0.242 61.874 62.100 0.028 0.000 0.932 321 T CB -0.603 68.286 68.868 0.034 0.000 1.188 321 T HN -0.061 nan 8.240 nan 0.000 0.500 322 L N 4.196 125.288 121.223 -0.219 0.000 2.401 322 L HA 0.298 4.639 4.340 0.002 0.000 0.283 322 L C 2.015 178.533 176.870 -0.586 0.000 1.151 322 L CA -0.615 53.835 54.840 -0.650 0.000 0.942 322 L CB 0.568 41.825 42.059 -1.338 0.000 1.283 322 L HN 0.330 nan 8.230 nan 0.000 0.442 323 E N 4.371 124.397 120.200 -0.290 0.000 2.147 323 E HA -0.267 4.084 4.350 0.002 0.000 0.199 323 E C 1.659 178.212 176.600 -0.078 0.000 1.005 323 E CA 1.817 58.149 56.400 -0.113 0.000 0.810 323 E CB -0.406 29.304 29.700 0.016 0.000 0.736 323 E HN 0.831 nan 8.360 nan 0.000 0.460 324 W N -0.142 121.200 121.300 0.069 0.000 2.595 324 W HA 0.058 4.719 4.660 0.002 0.000 0.257 324 W C 1.747 178.314 176.519 0.080 0.000 1.267 324 W CA -0.029 57.349 57.345 0.056 0.000 1.300 324 W CB -1.241 28.231 29.460 0.021 0.000 1.120 324 W HN -0.108 nan 8.180 nan 0.000 0.618 325 F N 3.024 122.663 119.950 -0.517 0.000 2.065 325 F HA -0.182 4.346 4.527 0.002 0.000 0.298 325 F C 2.769 178.566 175.800 -0.004 0.000 1.112 325 F CA 3.292 61.116 58.000 -0.293 0.000 1.212 325 F CB -0.687 38.046 39.000 -0.445 0.000 0.975 325 F HN -0.075 nan 8.300 nan 0.000 0.476 326 A N 0.165 123.105 122.820 0.201 0.000 1.986 326 A HA -0.192 4.129 4.320 0.002 0.000 0.220 326 A C 2.275 179.903 177.584 0.074 0.000 1.171 326 A CA 1.761 53.887 52.037 0.149 0.000 0.640 326 A CB -1.561 17.507 19.000 0.115 0.000 0.811 326 A HN 0.502 nan 8.150 nan 0.000 0.451 327 A N -0.604 122.268 122.820 0.087 0.000 2.178 327 A HA 0.086 4.407 4.320 0.002 0.000 0.218 327 A C 1.900 179.511 177.584 0.046 0.000 1.157 327 A CA 1.117 53.201 52.037 0.079 0.000 0.689 327 A CB -0.546 18.527 19.000 0.121 0.000 0.787 327 A HN 0.510 nan 8.150 nan 0.000 0.465 328 L N -1.222 119.994 121.223 -0.012 0.000 2.465 328 L HA 0.050 4.391 4.340 0.002 0.000 0.224 328 L C 1.800 178.672 176.870 0.003 0.000 1.145 328 L CA 0.583 55.395 54.840 -0.048 0.000 0.834 328 L CB -0.480 41.439 42.059 -0.234 0.000 0.944 328 L HN 0.567 nan 8.230 nan 0.000 0.451 329 G N 0.797 109.598 108.800 0.003 0.000 2.198 329 G HA2 -0.287 3.674 3.960 0.002 0.000 0.260 329 G HA3 -0.287 3.674 3.960 0.002 0.000 0.260 329 G C 0.176 175.045 174.900 -0.052 0.000 1.025 329 G CA 0.003 45.109 45.100 0.010 0.000 0.769 329 G HN 0.255 nan 8.290 nan 0.000 0.507 330 L N -0.259 120.917 121.223 -0.078 0.000 2.418 330 L HA 0.793 5.135 4.340 0.002 0.000 0.265 330 L C 1.086 177.752 176.870 -0.340 0.000 1.143 330 L CA -0.628 54.106 54.840 -0.177 0.000 0.809 330 L CB 0.966 43.036 42.059 0.018 0.000 1.124 330 L HN 0.567 nan 8.230 nan 0.000 0.456 331 R N 1.463 121.567 120.500 -0.659 0.000 2.728 331 R HA 0.500 4.841 4.340 0.002 0.000 0.274 331 R C -2.177 174.051 176.300 -0.119 0.000 1.030 331 R CA -1.031 54.837 56.100 -0.386 0.000 0.876 331 R CB 1.757 31.758 30.300 -0.499 0.000 1.259 331 R HN 0.647 nan 8.270 nan 0.000 0.468 332 W N 1.797 123.064 121.300 -0.055 0.000 3.248 332 W HA 0.316 4.977 4.660 0.002 0.000 0.311 332 W C -1.232 175.393 176.519 0.177 0.000 1.258 332 W CA -0.981 56.436 57.345 0.121 0.000 1.191 332 W CB 1.853 31.290 29.460 -0.039 0.000 1.389 332 W HN 0.700 nan 8.180 nan 0.000 0.561 333 Y N 1.426 121.674 120.300 -0.087 0.000 2.326 333 Y HA 0.506 5.058 4.550 0.002 0.000 0.333 333 Y C 0.845 177.007 175.900 0.438 0.000 1.240 333 Y CA 0.299 58.443 58.100 0.074 0.000 1.365 333 Y CB 0.178 38.550 38.460 -0.147 0.000 1.289 333 Y HN 0.355 nan 8.280 nan 0.000 0.548 334 A N 2.520 125.626 122.820 0.476 0.000 1.930 334 A HA 0.038 4.359 4.320 0.002 0.000 0.215 334 A C 0.569 178.514 177.584 0.601 0.000 1.176 334 A CA 0.511 52.865 52.037 0.530 0.000 0.632 334 A CB -0.359 18.777 19.000 0.227 0.000 0.819 334 A HN 0.696 nan 8.150 nan 0.000 0.445 335 L N 1.850 123.379 121.223 0.510 0.000 2.265 335 L HA 0.424 4.765 4.340 0.002 0.000 0.289 335 L C -2.576 174.472 176.870 0.296 0.000 1.033 335 L CA -2.178 52.862 54.840 0.333 0.000 0.814 335 L CB 1.631 43.800 42.059 0.183 0.000 1.203 335 L HN -0.017 nan 8.230 nan 0.000 0.423 336 P HA 0.345 nan 4.420 nan 0.000 0.291 336 P C -1.501 175.706 177.300 -0.156 0.000 1.378 336 P CA -0.350 62.640 63.100 -0.183 0.000 0.853 336 P CB 1.368 32.538 31.700 -0.883 0.000 1.002 337 A N 4.537 127.267 122.820 -0.150 0.000 2.363 337 A HA 0.451 4.772 4.320 0.002 0.000 0.296 337 A C -0.212 177.156 177.584 -0.359 0.000 1.237 337 A CA -0.674 51.204 52.037 -0.265 0.000 0.773 337 A CB 0.939 19.785 19.000 -0.257 0.000 1.153 337 A HN 0.296 nan 8.150 nan 0.000 0.473 338 V N 2.971 122.514 119.914 -0.618 0.000 2.508 338 V HA 0.287 4.409 4.120 0.002 0.000 0.281 338 V C 1.159 176.864 176.094 -0.649 0.000 1.041 338 V CA 1.023 62.905 62.300 -0.697 0.000 1.016 338 V CB 0.994 32.131 31.823 -1.142 0.000 0.984 338 V HN 1.099 nan 8.190 nan 0.000 0.478 339 S N 1.577 117.098 115.700 -0.300 0.000 2.733 339 S HA 0.060 4.531 4.470 0.002 0.000 0.247 339 S C 0.748 175.346 174.600 -0.005 0.000 1.043 339 S CA 0.059 58.177 58.200 -0.136 0.000 1.066 339 S CB -0.404 62.750 63.200 -0.077 0.000 1.045 339 S HN 0.911 nan 8.310 nan 0.000 0.586 340 N N 0.366 119.068 118.700 0.003 0.000 2.187 340 N HA 0.313 5.054 4.740 0.002 0.000 0.212 340 N C 0.106 175.688 175.510 0.121 0.000 1.152 340 N CA -0.488 52.603 53.050 0.069 0.000 0.872 340 N CB 0.159 38.682 38.487 0.060 0.000 1.025 340 N HN 0.263 nan 8.380 nan 0.000 0.514 341 M N 1.339 121.037 119.600 0.164 0.000 2.444 341 M HA 0.349 4.830 4.480 0.002 0.000 0.319 341 M C -0.674 175.803 176.300 0.295 0.000 1.183 341 M CA -0.866 54.590 55.300 0.260 0.000 1.032 341 M CB 2.458 35.265 32.600 0.344 0.000 1.569 341 M HN 0.109 nan 8.290 nan 0.000 0.468 342 L N 2.568 123.941 121.223 0.251 0.000 2.309 342 L HA 0.533 4.874 4.340 0.002 0.000 0.282 342 L C -1.400 175.592 176.870 0.204 0.000 1.036 342 L CA -0.929 54.036 54.840 0.208 0.000 0.806 342 L CB 1.195 43.321 42.059 0.111 0.000 1.220 342 L HN 0.578 nan 8.230 nan 0.000 0.429 343 L N 5.240 126.576 121.223 0.189 0.000 2.265 343 L HA 0.439 4.780 4.340 0.002 0.000 0.289 343 L C -0.450 176.430 176.870 0.018 0.000 1.033 343 L CA 0.229 55.063 54.840 -0.010 0.000 0.814 343 L CB 1.057 43.111 42.059 -0.008 0.000 1.203 343 L HN 0.617 nan 8.230 nan 0.000 0.423 344 E N 6.521 126.648 120.200 -0.122 0.000 2.151 344 E HA 0.403 4.755 4.350 0.002 0.000 0.275 344 E C -1.518 174.987 176.600 -0.160 0.000 0.936 344 E CA -0.410 55.924 56.400 -0.109 0.000 0.777 344 E CB 1.100 30.737 29.700 -0.106 0.000 1.108 344 E HN 0.712 nan 8.360 nan 0.000 0.401 345 I N 2.525 123.000 120.570 -0.158 0.000 2.512 345 I HA 0.250 4.421 4.170 0.002 0.000 0.287 345 I C 0.792 176.690 176.117 -0.365 0.000 1.069 345 I CA -0.724 60.373 61.300 -0.338 0.000 1.056 345 I CB 2.022 39.778 38.000 -0.407 0.000 1.229 345 I HN 0.783 nan 8.210 nan 0.000 0.429 346 G N 4.190 112.812 108.800 -0.298 0.000 2.379 346 G HA2 -0.134 3.827 3.960 0.002 0.000 0.297 346 G HA3 -0.134 3.827 3.960 0.002 0.000 0.297 346 G C 1.041 176.001 174.900 0.099 0.000 1.004 346 G CA 0.880 45.989 45.100 0.015 0.000 0.921 346 G HN 1.572 nan 8.290 nan 0.000 0.511 347 G N -2.028 106.771 108.800 -0.002 0.000 2.241 347 G HA2 -0.245 3.717 3.960 0.002 0.000 0.244 347 G HA3 -0.245 3.717 3.960 0.002 0.000 0.244 347 G C 0.528 175.359 174.900 -0.115 0.000 0.998 347 G CA 0.450 45.547 45.100 -0.006 0.000 0.621 347 G HN 1.250 nan 8.290 nan 0.000 0.519 348 L N 0.818 121.904 121.223 -0.228 0.000 2.395 348 L HA 0.584 4.925 4.340 0.002 0.000 0.269 348 L C 0.334 176.927 176.870 -0.461 0.000 1.133 348 L CA -0.341 54.237 54.840 -0.436 0.000 0.812 348 L CB 1.063 42.751 42.059 -0.619 0.000 1.125 348 L HN 0.196 nan 8.230 nan 0.000 0.452 349 E N 2.306 122.166 120.200 -0.566 0.000 2.176 349 E HA 0.377 4.728 4.350 0.002 0.000 0.267 349 E C -1.521 174.719 176.600 -0.601 0.000 0.893 349 E CA -0.439 55.705 56.400 -0.426 0.000 0.761 349 E CB 1.763 31.334 29.700 -0.216 0.000 1.133 349 E HN 0.256 nan 8.360 nan 0.000 0.409 350 F N 1.963 121.883 119.950 -0.049 0.000 2.307 350 F HA 0.105 4.633 4.527 0.002 0.000 0.369 350 F C 1.462 177.302 175.800 0.067 0.000 1.076 350 F CA -0.544 57.455 58.000 -0.001 0.000 1.149 350 F CB 1.135 40.117 39.000 -0.031 0.000 1.410 350 F HN 0.420 nan 8.300 nan 0.000 0.481 351 S N 1.188 116.995 115.700 0.180 0.000 2.474 351 S HA 0.185 4.656 4.470 0.002 0.000 0.235 351 S C 0.820 175.561 174.600 0.234 0.000 0.997 351 S CA 0.404 58.709 58.200 0.175 0.000 0.949 351 S CB 0.002 63.282 63.200 0.134 0.000 0.766 351 S HN 0.492 nan 8.310 nan 0.000 0.517 352 A N 0.460 123.467 122.820 0.311 0.000 2.466 352 A HA 0.822 5.143 4.320 0.002 0.000 0.291 352 A C -0.227 177.619 177.584 0.436 0.000 1.234 352 A CA -0.168 52.089 52.037 0.367 0.000 0.752 352 A CB 0.919 20.140 19.000 0.368 0.000 1.153 352 A HN 0.999 nan 8.150 nan 0.000 0.458 353 A N 4.091 127.118 122.820 0.345 0.000 3.277 353 A HA 0.629 4.950 4.320 0.002 0.000 0.281 353 A C -3.037 174.719 177.584 0.287 0.000 1.179 353 A CA -0.923 51.270 52.037 0.261 0.000 0.879 353 A CB 0.450 19.602 19.000 0.255 0.000 1.374 353 A HN 0.506 nan 8.150 nan 0.000 0.590 354 P HA 0.367 nan 4.420 nan 0.000 0.267 354 P C -0.761 176.600 177.300 0.101 0.000 1.205 354 P CA 0.528 63.621 63.100 -0.012 0.000 0.765 354 P CB 0.126 31.784 31.700 -0.070 0.000 0.828 355 F N 0.344 120.269 119.950 -0.042 0.000 2.563 355 F HA 0.780 5.308 4.527 0.002 0.000 0.316 355 F C -0.402 175.320 175.800 -0.130 0.000 1.076 355 F CA -1.120 56.843 58.000 -0.061 0.000 0.921 355 F CB 1.708 40.547 39.000 -0.269 0.000 1.209 355 F HN 0.392 nan 8.300 nan 0.000 0.462 356 S N 0.409 116.173 115.700 0.107 0.000 2.607 356 S HA 0.981 5.452 4.470 0.002 0.000 0.273 356 S C -0.678 173.869 174.600 -0.087 0.000 1.148 356 S CA -0.233 57.961 58.200 -0.010 0.000 0.833 356 S CB 1.549 64.808 63.200 0.099 0.000 1.130 356 S HN 1.442 nan 8.310 nan 0.000 0.470 357 G N -0.356 108.360 108.800 -0.140 0.000 3.321 357 G HA2 0.693 4.654 3.960 0.002 0.000 0.169 357 G HA3 0.693 4.654 3.960 0.002 0.000 0.169 357 G C -1.778 173.133 174.900 0.018 0.000 1.153 357 G CA -0.242 44.717 45.100 -0.235 0.000 1.007 357 G HN 1.152 nan 8.290 nan 0.000 0.668 358 W N -1.277 120.027 121.300 0.007 0.000 3.031 358 W HA 0.829 5.490 4.660 0.002 0.000 0.337 358 W C -1.617 174.907 176.519 0.008 0.000 1.187 358 W CA -2.105 55.264 57.345 0.040 0.000 1.166 358 W CB 0.460 29.983 29.460 0.106 0.000 1.437 358 W HN 0.413 nan 8.180 nan 0.000 0.551 359 Y N 2.461 122.944 120.300 0.306 0.000 2.326 359 Y HA 0.314 4.865 4.550 0.002 0.000 0.333 359 Y C 0.758 176.716 175.900 0.097 0.000 1.240 359 Y CA -0.668 57.493 58.100 0.102 0.000 1.365 359 Y CB 1.171 39.590 38.460 -0.068 0.000 1.289 359 Y HN 0.458 nan 8.280 nan 0.000 0.548 360 M N 1.934 121.684 119.600 0.251 0.000 2.205 360 M HA 0.204 4.685 4.480 0.002 0.000 0.344 360 M C 0.990 177.281 176.300 -0.015 0.000 1.085 360 M CA -0.331 55.042 55.300 0.122 0.000 1.001 360 M CB 1.157 33.809 32.600 0.087 0.000 1.626 360 M HN 0.845 nan 8.290 nan 0.000 0.442 361 S N 1.442 117.091 115.700 -0.085 0.000 2.400 361 S HA -0.232 4.239 4.470 0.002 0.000 0.234 361 S C 1.503 175.958 174.600 -0.243 0.000 1.049 361 S CA 2.367 60.441 58.200 -0.210 0.000 1.039 361 S CB -1.490 61.631 63.200 -0.132 0.000 0.856 361 S HN 0.928 nan 8.310 nan 0.000 0.465 362 T N 0.178 114.615 114.554 -0.194 0.000 2.881 362 T HA -0.061 4.290 4.350 0.002 0.000 0.270 362 T C 1.563 176.095 174.700 -0.279 0.000 1.068 362 T CA 1.290 63.227 62.100 -0.271 0.000 1.131 362 T CB -0.621 68.048 68.868 -0.331 0.000 0.871 362 T HN 0.629 nan 8.240 nan 0.000 0.479 363 E N 0.901 120.953 120.200 -0.246 0.000 2.085 363 E HA -0.047 4.304 4.350 0.002 0.000 0.194 363 E C 2.076 178.386 176.600 -0.484 0.000 0.994 363 E CA 1.408 57.656 56.400 -0.252 0.000 0.801 363 E CB -0.285 29.397 29.700 -0.031 0.000 0.743 363 E HN 0.603 nan 8.360 nan 0.000 0.453 364 I N 0.129 120.286 120.570 -0.688 0.000 2.368 364 I HA -0.046 4.125 4.170 0.002 0.000 0.238 364 I C 2.614 178.381 176.117 -0.583 0.000 1.076 364 I CA 0.890 61.626 61.300 -0.940 0.000 1.397 364 I CB -0.605 36.763 38.000 -1.054 0.000 1.141 364 I HN 0.104 nan 8.210 nan 0.000 0.430 365 G N 0.238 108.796 108.800 -0.403 0.000 2.432 365 G HA2 -0.172 3.789 3.960 0.002 0.000 0.219 365 G HA3 -0.172 3.789 3.960 0.002 0.000 0.219 365 G C 1.596 176.378 174.900 -0.196 0.000 1.135 365 G CA 1.564 46.520 45.100 -0.240 0.000 0.767 365 G HN 0.311 nan 8.290 nan 0.000 0.550 366 T N -0.286 114.125 114.554 -0.238 0.000 3.053 366 T HA 0.115 4.466 4.350 0.002 0.000 0.236 366 T C 2.516 177.100 174.700 -0.193 0.000 0.996 366 T CA 0.188 62.169 62.100 -0.199 0.000 1.185 366 T CB 0.098 68.829 68.868 -0.228 0.000 0.892 366 T HN 0.006 nan 8.240 nan 0.000 0.432 367 R N 1.984 122.345 120.500 -0.232 0.000 2.055 367 R HA 0.162 4.503 4.340 0.002 0.000 0.228 367 R C 2.178 178.348 176.300 -0.217 0.000 1.143 367 R CA 1.061 57.033 56.100 -0.213 0.000 0.945 367 R CB -1.185 28.987 30.300 -0.212 0.000 0.841 367 R HN 0.312 nan 8.270 nan 0.000 0.429 368 N N 1.026 119.539 118.700 -0.312 0.000 2.120 368 N HA -0.095 4.646 4.740 0.002 0.000 0.188 368 N C 1.964 177.381 175.510 -0.156 0.000 1.024 368 N CA 1.124 53.977 53.050 -0.327 0.000 0.852 368 N CB -0.267 37.672 38.487 -0.913 0.000 1.003 368 N HN 0.181 nan 8.380 nan 0.000 0.424 369 L N -0.822 120.272 121.223 -0.214 0.000 2.249 369 L HA 0.071 4.412 4.340 0.002 0.000 0.207 369 L C 1.484 178.381 176.870 0.045 0.000 1.090 369 L CA 0.427 55.247 54.840 -0.033 0.000 0.802 369 L CB 0.123 42.144 42.059 -0.063 0.000 0.947 369 L HN 0.171 nan 8.230 nan 0.000 0.453 370 C N -1.454 117.831 119.300 -0.025 0.000 2.865 370 C HA 0.146 4.607 4.460 0.002 0.000 0.280 370 C C 0.757 175.735 174.990 -0.020 0.000 1.255 370 C CA -0.907 58.109 59.018 -0.003 0.000 1.705 370 C CB -0.387 27.336 27.740 -0.027 0.000 2.080 370 C HN 0.309 nan 8.230 nan 0.000 0.591 371 D N 2.794 123.150 120.400 -0.073 0.000 2.472 371 D HA 0.033 4.674 4.640 0.002 0.000 0.237 371 D C -1.068 175.212 176.300 -0.033 0.000 1.141 371 D CA -1.220 52.715 54.000 -0.107 0.000 0.875 371 D CB 0.623 41.208 40.800 -0.358 0.000 1.192 371 D HN 0.204 nan 8.370 nan 0.000 0.450 372 P HA -0.147 nan 4.420 nan 0.000 0.218 372 P C 0.659 178.050 177.300 0.152 0.000 1.149 372 P CA 1.253 64.430 63.100 0.129 0.000 0.817 372 P CB 0.019 31.809 31.700 0.149 0.000 0.785 373 H N -2.055 117.025 119.070 0.016 0.000 2.538 373 H HA 0.367 4.924 4.556 0.002 0.000 0.286 373 H C 0.911 176.248 175.328 0.014 0.000 1.035 373 H CA -0.293 55.762 56.048 0.012 0.000 1.169 373 H CB -0.124 29.645 29.762 0.012 0.000 1.417 373 H HN -0.021 nan 8.280 nan 0.000 0.567 374 R N -0.285 120.128 120.500 -0.145 0.000 3.066 374 R HA 0.183 4.524 4.340 0.002 0.000 0.143 374 R C 1.008 177.282 176.300 -0.045 0.000 1.187 374 R CA -0.716 55.330 56.100 -0.090 0.000 0.722 374 R CB -0.822 29.437 30.300 -0.068 0.000 1.366 374 R HN 0.087 nan 8.270 nan 0.000 0.421 375 Y N 1.710 122.017 120.300 0.013 0.000 2.497 375 Y HA -0.106 4.446 4.550 0.002 0.000 0.292 375 Y C 0.768 176.691 175.900 0.037 0.000 1.137 375 Y CA 1.117 59.241 58.100 0.041 0.000 1.285 375 Y CB -0.399 38.122 38.460 0.101 0.000 0.991 375 Y HN 0.511 nan 8.280 nan 0.000 0.556 376 N N 0.843 119.628 118.700 0.142 0.000 2.698 376 N HA -0.239 4.502 4.740 0.002 0.000 0.258 376 N C 0.379 175.970 175.510 0.134 0.000 0.978 376 N CA 0.823 53.938 53.050 0.108 0.000 0.777 376 N CB -1.325 37.209 38.487 0.078 0.000 0.907 376 N HN 0.664 nan 8.380 nan 0.000 0.543 377 I N -3.578 117.087 120.570 0.158 0.000 3.735 377 I HA 0.062 4.233 4.170 0.002 0.000 0.310 377 I C 1.470 177.686 176.117 0.165 0.000 1.270 377 I CA -0.381 61.012 61.300 0.156 0.000 1.207 377 I CB -0.104 37.994 38.000 0.163 0.000 1.013 377 I HN 0.082 nan 8.210 nan 0.000 0.452 378 L N 1.826 123.155 121.223 0.176 0.000 1.990 378 L HA -0.230 4.111 4.340 0.002 0.000 0.213 378 L C 2.594 179.680 176.870 0.359 0.000 1.072 378 L CA 2.132 57.114 54.840 0.236 0.000 0.755 378 L CB -0.999 41.167 42.059 0.178 0.000 0.889 378 L HN 0.498 nan 8.230 nan 0.000 0.432 379 E N -1.172 119.227 120.200 0.332 0.000 2.106 379 E HA -0.213 4.138 4.350 0.002 0.000 0.192 379 E C 1.676 178.313 176.600 0.062 0.000 0.984 379 E CA 1.113 57.636 56.400 0.204 0.000 0.806 379 E CB 0.102 29.862 29.700 0.100 0.000 0.750 379 E HN 0.484 nan 8.360 nan 0.000 0.458 380 D N -0.020 120.425 120.400 0.075 0.000 2.097 380 D HA -0.148 4.493 4.640 0.002 0.000 0.195 380 D C 2.041 178.351 176.300 0.016 0.000 0.989 380 D CA 1.139 55.152 54.000 0.021 0.000 0.827 380 D CB -0.253 40.570 40.800 0.038 0.000 0.966 380 D HN 0.112 nan 8.370 nan 0.000 0.456 381 V N 1.446 121.430 119.914 0.116 0.000 2.407 381 V HA -0.211 3.910 4.120 0.002 0.000 0.248 381 V C 2.506 178.689 176.094 0.149 0.000 1.055 381 V CA 1.657 64.084 62.300 0.210 0.000 1.049 381 V CB -0.795 31.237 31.823 0.347 0.000 0.662 381 V HN 0.170 nan 8.190 nan 0.000 0.455 382 A N -0.065 122.846 122.820 0.153 0.000 1.877 382 A HA -0.154 4.168 4.320 0.002 0.000 0.216 382 A C 2.400 179.940 177.584 -0.073 0.000 1.186 382 A CA 2.067 54.175 52.037 0.119 0.000 0.620 382 A CB -0.701 18.416 19.000 0.194 0.000 0.822 382 A HN 0.329 nan 8.150 nan 0.000 0.443 383 V N -0.787 119.038 119.914 -0.148 0.000 2.343 383 V HA -0.314 3.807 4.120 0.002 0.000 0.247 383 V C 2.612 178.530 176.094 -0.294 0.000 1.051 383 V CA 2.017 64.191 62.300 -0.210 0.000 1.036 383 V CB -1.042 30.668 31.823 -0.190 0.000 0.654 383 V HN 0.712 nan 8.190 nan 0.000 0.451 384 C N -0.559 118.491 119.300 -0.417 0.000 2.419 384 C HA -0.101 4.360 4.460 0.002 0.000 0.281 384 C C 2.592 177.017 174.990 -0.943 0.000 1.336 384 C CA 0.910 59.397 59.018 -0.885 0.000 1.770 384 C CB -0.994 25.900 27.740 -1.411 0.000 1.929 384 C HN 0.527 nan 8.230 nan 0.000 0.509 385 M N 0.091 119.438 119.600 -0.421 0.000 2.561 385 M HA 0.034 4.515 4.480 0.002 0.000 0.238 385 M C 0.581 176.832 176.300 -0.081 0.000 1.131 385 M CA 0.717 55.969 55.300 -0.079 0.000 1.046 385 M CB -0.235 32.459 32.600 0.156 0.000 1.532 385 M HN 0.229 nan 8.290 nan 0.000 0.497 386 D N 1.639 121.942 120.400 -0.161 0.000 2.723 386 D HA -0.166 4.475 4.640 0.002 0.000 0.236 386 D C -0.893 175.366 176.300 -0.069 0.000 1.138 386 D CA 0.549 54.476 54.000 -0.122 0.000 0.676 386 D CB -1.059 39.681 40.800 -0.101 0.000 1.069 386 D HN 0.308 nan 8.370 nan 0.000 0.430 387 L N -0.111 121.076 121.223 -0.060 0.000 2.439 387 L HA 0.330 4.671 4.340 0.002 0.000 0.259 387 L C 1.050 177.862 176.870 -0.097 0.000 1.129 387 L CA -0.723 54.109 54.840 -0.015 0.000 0.803 387 L CB 0.617 42.730 42.059 0.091 0.000 1.161 387 L HN -0.019 nan 8.230 nan 0.000 0.462 388 D N 0.526 120.895 120.400 -0.052 0.000 2.453 388 D HA 0.019 4.660 4.640 0.002 0.000 0.223 388 D C 0.958 177.110 176.300 -0.246 0.000 1.183 388 D CA -0.172 53.766 54.000 -0.104 0.000 0.933 388 D CB 0.802 41.593 40.800 -0.015 0.000 1.038 388 D HN 0.591 nan 8.370 nan 0.000 0.513 389 T N 0.636 114.870 114.554 -0.534 0.000 3.194 389 T HA 0.066 4.417 4.350 0.002 0.000 0.251 389 T C 1.527 175.980 174.700 -0.411 0.000 1.132 389 T CA 0.021 61.496 62.100 -1.042 0.000 1.028 389 T CB -0.009 68.112 68.868 -1.244 0.000 0.976 389 T HN 0.250 nan 8.240 nan 0.000 0.535 390 R N 0.492 120.880 120.500 -0.186 0.000 2.148 390 R HA 0.101 4.442 4.340 0.002 0.000 0.227 390 R C 1.026 177.346 176.300 0.033 0.000 1.103 390 R CA 0.943 57.005 56.100 -0.064 0.000 0.983 390 R CB -0.080 30.193 30.300 -0.045 0.000 0.874 390 R HN 0.405 nan 8.270 nan 0.000 0.451 391 T N -1.585 113.031 114.554 0.105 0.000 2.900 391 T HA 0.116 4.467 4.350 0.002 0.000 0.303 391 T C 1.054 175.927 174.700 0.289 0.000 1.142 391 T CA -0.501 61.697 62.100 0.163 0.000 1.007 391 T CB 1.890 70.819 68.868 0.101 0.000 1.156 391 T HN 0.201 nan 8.240 nan 0.000 0.490 392 T N 0.526 115.205 114.554 0.210 0.000 2.821 392 T HA -0.094 4.258 4.350 0.002 0.000 0.267 392 T C 2.053 176.801 174.700 0.082 0.000 1.046 392 T CA 1.714 63.894 62.100 0.134 0.000 1.139 392 T CB -0.768 68.133 68.868 0.054 0.000 0.871 392 T HN 0.691 nan 8.240 nan 0.000 0.454 393 S N 2.184 117.935 115.700 0.086 0.000 2.537 393 S HA -0.072 4.399 4.470 0.002 0.000 0.240 393 S C 2.101 176.748 174.600 0.077 0.000 0.981 393 S CA 0.839 59.076 58.200 0.061 0.000 0.948 393 S CB -0.855 62.375 63.200 0.051 0.000 0.759 393 S HN 0.787 nan 8.310 nan 0.000 0.531 394 S N 1.560 117.341 115.700 0.136 0.000 2.527 394 S HA 0.244 4.715 4.470 0.002 0.000 0.222 394 S C 0.930 175.611 174.600 0.135 0.000 0.985 394 S CA 0.126 58.416 58.200 0.149 0.000 0.921 394 S CB -0.910 62.416 63.200 0.210 0.000 0.772 394 S HN 0.591 nan 8.310 nan 0.000 0.529 395 L N 0.941 122.210 121.223 0.076 0.000 3.717 395 L HA -0.173 4.168 4.340 0.002 0.000 0.414 395 L C 1.611 178.488 176.870 0.012 0.000 1.228 395 L CA 0.655 55.481 54.840 -0.023 0.000 0.918 395 L CB -2.498 39.559 42.059 -0.003 0.000 1.865 395 L HN 0.725 nan 8.230 nan 0.000 0.922 396 W N -0.017 121.295 121.300 0.021 0.000 2.363 396 W HA -0.138 4.523 4.660 0.001 0.000 0.296 396 W C 1.749 178.287 176.519 0.033 0.000 1.212 396 W CA 1.329 58.690 57.345 0.026 0.000 1.260 396 W CB -0.733 28.739 29.460 0.019 0.000 1.131 396 W HN 0.269 nan 8.180 nan 0.000 0.530 397 K N 1.102 121.056 120.400 -0.744 0.000 2.026 397 K HA -0.180 4.141 4.320 0.002 0.000 0.208 397 K C 1.532 177.986 176.600 -0.244 0.000 1.048 397 K CA 2.467 58.341 56.287 -0.689 0.000 0.929 397 K CB -0.380 31.558 32.500 -0.937 0.000 0.713 397 K HN 0.069 nan 8.250 nan 0.000 0.439 398 D N 0.570 120.852 120.400 -0.196 0.000 2.117 398 D HA -0.125 4.516 4.640 0.002 0.000 0.197 398 D C 1.700 177.992 176.300 -0.014 0.000 0.987 398 D CA 1.214 55.159 54.000 -0.091 0.000 0.829 398 D CB 0.015 40.770 40.800 -0.075 0.000 0.961 398 D HN 0.130 nan 8.370 nan 0.000 0.460 399 K N 0.573 120.992 120.400 0.031 0.000 2.026 399 K HA -0.031 4.290 4.320 0.002 0.000 0.208 399 K C 2.254 178.925 176.600 0.119 0.000 1.048 399 K CA 1.144 57.482 56.287 0.085 0.000 0.929 399 K CB -0.211 32.362 32.500 0.120 0.000 0.713 399 K HN 0.088 nan 8.250 nan 0.000 0.439 400 A N 1.706 124.619 122.820 0.156 0.000 1.883 400 A HA -0.180 4.142 4.320 0.002 0.000 0.217 400 A C 2.416 180.092 177.584 0.153 0.000 1.186 400 A CA 2.053 54.213 52.037 0.205 0.000 0.624 400 A CB -0.861 18.300 19.000 0.268 0.000 0.822 400 A HN 0.356 nan 8.150 nan 0.000 0.444 401 A N -0.629 122.236 122.820 0.075 0.000 1.908 401 A HA -0.055 4.267 4.320 0.002 0.000 0.218 401 A C 2.249 179.847 177.584 0.024 0.000 1.181 401 A CA 1.952 54.006 52.037 0.028 0.000 0.627 401 A CB -1.037 17.940 19.000 -0.037 0.000 0.818 401 A HN 0.441 nan 8.150 nan 0.000 0.445 402 V N 0.357 120.291 119.914 0.033 0.000 2.343 402 V HA -0.224 3.898 4.120 0.002 0.000 0.247 402 V C 2.551 178.674 176.094 0.048 0.000 1.051 402 V CA 2.162 64.484 62.300 0.036 0.000 1.036 402 V CB -0.719 31.134 31.823 0.051 0.000 0.654 402 V HN 0.537 nan 8.190 nan 0.000 0.451 403 E N -0.095 120.163 120.200 0.095 0.000 2.106 403 E HA -0.126 4.225 4.350 0.002 0.000 0.192 403 E C 2.141 178.767 176.600 0.043 0.000 0.984 403 E CA 1.183 57.662 56.400 0.132 0.000 0.806 403 E CB -0.259 29.560 29.700 0.199 0.000 0.750 403 E HN 0.588 nan 8.360 nan 0.000 0.458 404 I N 1.289 121.912 120.570 0.089 0.000 2.252 404 I HA -0.270 3.901 4.170 0.002 0.000 0.245 404 I C 1.722 177.811 176.117 -0.047 0.000 1.102 404 I CA 1.025 62.373 61.300 0.080 0.000 1.385 404 I CB -0.314 37.794 38.000 0.180 0.000 1.064 404 I HN 0.033 nan 8.210 nan 0.000 0.414 405 N N 0.654 119.323 118.700 -0.051 0.000 2.188 405 N HA -0.170 4.571 4.740 0.002 0.000 0.184 405 N C 1.665 177.120 175.510 -0.091 0.000 1.018 405 N CA 0.853 53.852 53.050 -0.084 0.000 0.858 405 N CB -0.177 38.267 38.487 -0.070 0.000 0.989 405 N HN 0.155 nan 8.380 nan 0.000 0.426 406 L N 0.706 121.866 121.223 -0.105 0.000 2.027 406 L HA 0.007 4.348 4.340 0.002 0.000 0.206 406 L C 2.016 178.735 176.870 -0.251 0.000 1.074 406 L CA 1.429 56.170 54.840 -0.166 0.000 0.745 406 L CB -0.895 41.035 42.059 -0.216 0.000 0.898 406 L HN 0.156 nan 8.230 nan 0.000 0.433 407 A N -1.223 121.373 122.820 -0.372 0.000 1.940 407 A HA -0.166 4.156 4.320 0.002 0.000 0.219 407 A C 2.253 179.746 177.584 -0.151 0.000 1.176 407 A CA 2.041 53.819 52.037 -0.432 0.000 0.631 407 A CB -1.091 17.339 19.000 -0.949 0.000 0.814 407 A HN 0.316 nan 8.150 nan 0.000 0.446 408 V N -0.044 119.805 119.914 -0.108 0.000 2.261 408 V HA -0.266 3.855 4.120 0.002 0.000 0.246 408 V C 2.570 178.674 176.094 0.016 0.000 1.047 408 V CA 2.002 64.287 62.300 -0.025 0.000 1.015 408 V CB -0.822 30.911 31.823 -0.149 0.000 0.642 408 V HN 0.573 nan 8.190 nan 0.000 0.446 409 L N -0.510 120.687 121.223 -0.044 0.000 2.012 409 L HA -0.244 4.097 4.340 0.002 0.000 0.210 409 L C 2.648 179.542 176.870 0.041 0.000 1.073 409 L CA 2.263 57.096 54.840 -0.011 0.000 0.748 409 L CB -0.823 41.223 42.059 -0.022 0.000 0.891 409 L HN 0.483 nan 8.230 nan 0.000 0.431 410 H N -0.314 118.707 119.070 -0.081 0.000 2.319 410 H HA -0.160 4.397 4.556 0.002 0.000 0.299 410 H C 2.350 177.660 175.328 -0.030 0.000 1.092 410 H CA 2.066 58.060 56.048 -0.091 0.000 1.302 410 H CB -0.061 29.583 29.762 -0.196 0.000 1.373 410 H HN 0.165 nan 8.280 nan 0.000 0.497 411 S N -0.436 115.197 115.700 -0.112 0.000 2.356 411 S HA -0.138 4.334 4.470 0.002 0.000 0.223 411 S C 2.063 176.626 174.600 -0.061 0.000 1.032 411 S CA 1.351 59.481 58.200 -0.118 0.000 1.005 411 S CB -0.581 62.645 63.200 0.044 0.000 0.867 411 S HN 0.395 nan 8.310 nan 0.000 0.449 412 F N 1.954 121.838 119.950 -0.109 0.000 2.171 412 F HA -0.137 4.392 4.527 0.002 0.000 0.300 412 F C 2.764 178.507 175.800 -0.094 0.000 1.090 412 F CA 1.095 59.055 58.000 -0.067 0.000 1.293 412 F CB -0.269 38.717 39.000 -0.024 0.000 1.013 412 F HN 0.228 nan 8.300 nan 0.000 0.486 413 Q N -0.419 119.409 119.800 0.047 0.000 2.119 413 Q HA -0.197 4.144 4.340 0.002 0.000 0.201 413 Q C 2.143 178.079 176.000 -0.106 0.000 0.972 413 Q CA 1.237 57.022 55.803 -0.031 0.000 0.847 413 Q CB -0.344 28.370 28.738 -0.040 0.000 0.903 413 Q HN 0.374 nan 8.270 nan 0.000 0.433 414 L N 0.592 121.691 121.223 -0.207 0.000 2.056 414 L HA -0.058 4.283 4.340 0.002 0.000 0.207 414 L C 2.020 178.800 176.870 -0.150 0.000 1.078 414 L CA 1.847 56.554 54.840 -0.221 0.000 0.749 414 L CB -0.536 41.309 42.059 -0.358 0.000 0.901 414 L HN 0.111 nan 8.230 nan 0.000 0.433 415 A N -1.424 121.300 122.820 -0.161 0.000 2.239 415 A HA -0.034 4.288 4.320 0.002 0.000 0.209 415 A C 0.858 178.371 177.584 -0.118 0.000 1.171 415 A CA 0.293 52.238 52.037 -0.153 0.000 0.768 415 A CB -0.381 18.481 19.000 -0.229 0.000 0.790 415 A HN 0.434 nan 8.150 nan 0.000 0.478 416 K N -1.207 119.139 120.400 -0.091 0.000 3.125 416 K HA -0.126 4.195 4.320 0.002 0.000 0.268 416 K C -0.700 175.869 176.600 -0.052 0.000 1.078 416 K CA 0.810 57.059 56.287 -0.064 0.000 0.775 416 K CB -2.507 29.957 32.500 -0.060 0.000 1.253 416 K HN 0.294 nan 8.250 nan 0.000 0.486 417 V N 1.132 121.026 119.914 -0.033 0.000 2.495 417 V HA 0.185 4.306 4.120 0.002 0.000 0.298 417 V C 0.822 177.009 176.094 0.154 0.000 1.031 417 V CA -0.695 61.621 62.300 0.027 0.000 0.871 417 V CB 2.012 33.780 31.823 -0.092 0.000 0.988 417 V HN 0.266 nan 8.190 nan 0.000 0.432 418 T N 6.242 120.842 114.554 0.078 0.000 2.933 418 T HA 0.392 4.743 4.350 0.002 0.000 0.306 418 T C -0.235 174.526 174.700 0.102 0.000 1.045 418 T CA 0.955 63.025 62.100 -0.050 0.000 1.143 418 T CB 0.060 68.759 68.868 -0.281 0.000 1.003 418 T HN 0.587 nan 8.240 nan 0.000 0.540 419 I N 2.089 122.644 120.570 -0.025 0.000 2.897 419 I HA 0.585 4.757 4.170 0.002 0.000 0.299 419 I C -1.727 174.398 176.117 0.013 0.000 1.527 419 I CA -0.891 60.433 61.300 0.040 0.000 0.979 419 I CB 1.825 39.784 38.000 -0.070 0.000 1.360 419 I HN 0.462 nan 8.210 nan 0.000 0.495 420 V N 4.784 124.763 119.914 0.109 0.000 2.760 420 V HA 0.517 4.638 4.120 0.002 0.000 0.309 420 V C -1.258 174.885 176.094 0.082 0.000 1.077 420 V CA -0.247 62.122 62.300 0.115 0.000 0.910 420 V CB 2.192 34.168 31.823 0.256 0.000 1.008 420 V HN 0.873 nan 8.190 nan 0.000 0.424 421 D N 4.007 124.437 120.400 0.050 0.000 2.358 421 D HA 0.197 4.838 4.640 0.002 0.000 0.244 421 D C 1.275 177.586 176.300 0.018 0.000 1.163 421 D CA 0.200 54.223 54.000 0.040 0.000 0.945 421 D CB 0.474 41.272 40.800 -0.003 0.000 1.152 421 D HN 0.742 nan 8.370 nan 0.000 0.451 422 H N -0.131 118.865 119.070 -0.124 0.000 2.489 422 H HA -0.139 4.418 4.556 0.002 0.000 0.293 422 H C 0.915 176.128 175.328 -0.193 0.000 1.066 422 H CA 1.307 57.245 56.048 -0.184 0.000 1.305 422 H CB -0.532 29.065 29.762 -0.274 0.000 1.386 422 H HN 0.517 nan 8.280 nan 0.000 0.551 423 H N 1.122 119.985 119.070 -0.344 0.000 2.317 423 H HA 0.168 4.725 4.556 0.002 0.000 0.304 423 H C 2.544 177.843 175.328 -0.047 0.000 1.067 423 H CA 1.332 57.266 56.048 -0.190 0.000 1.352 423 H CB -0.344 29.276 29.762 -0.237 0.000 1.398 423 H HN 0.494 nan 8.280 nan 0.000 0.510 424 A N 1.461 124.331 122.820 0.083 0.000 1.902 424 A HA -0.117 4.204 4.320 0.002 0.000 0.217 424 A C 2.690 180.342 177.584 0.112 0.000 1.181 424 A CA 1.910 54.000 52.037 0.089 0.000 0.623 424 A CB -0.880 18.164 19.000 0.074 0.000 0.818 424 A HN 0.435 nan 8.150 nan 0.000 0.443 425 A N -0.252 122.633 122.820 0.109 0.000 1.902 425 A HA -0.127 4.194 4.320 0.002 0.000 0.217 425 A C 2.453 180.128 177.584 0.152 0.000 1.181 425 A CA 2.663 54.783 52.037 0.139 0.000 0.623 425 A CB -1.436 17.636 19.000 0.119 0.000 0.818 425 A HN 0.782 nan 8.150 nan 0.000 0.443 426 T N -2.813 111.814 114.554 0.121 0.000 2.904 426 T HA -0.058 4.294 4.350 0.002 0.000 0.267 426 T C 1.670 176.496 174.700 0.210 0.000 1.059 426 T CA 1.303 63.499 62.100 0.160 0.000 1.137 426 T CB -0.662 68.269 68.868 0.105 0.000 0.879 426 T HN 0.053 nan 8.240 nan 0.000 0.467 427 V N 2.813 122.826 119.914 0.164 0.000 2.407 427 V HA -0.163 3.958 4.120 0.002 0.000 0.248 427 V C 3.202 179.388 176.094 0.154 0.000 1.055 427 V CA 2.045 64.433 62.300 0.147 0.000 1.049 427 V CB -0.879 31.012 31.823 0.114 0.000 0.662 427 V HN 0.804 nan 8.190 nan 0.000 0.455 428 S N -0.348 115.455 115.700 0.171 0.000 2.406 428 S HA -0.183 4.288 4.470 0.002 0.000 0.228 428 S C 1.964 176.696 174.600 0.219 0.000 1.020 428 S CA 1.252 59.555 58.200 0.172 0.000 0.965 428 S CB -0.684 62.622 63.200 0.175 0.000 0.798 428 S HN 0.489 nan 8.310 nan 0.000 0.488 429 F N 2.435 122.452 119.950 0.111 0.000 2.171 429 F HA 0.058 4.586 4.527 0.002 0.000 0.300 429 F C 2.269 178.162 175.800 0.155 0.000 1.090 429 F CA 1.237 59.318 58.000 0.136 0.000 1.293 429 F CB -0.376 38.684 39.000 0.100 0.000 1.013 429 F HN 0.098 nan 8.300 nan 0.000 0.486 430 M N 0.039 119.716 119.600 0.128 0.000 2.149 430 M HA -0.196 4.285 4.480 0.002 0.000 0.261 430 M C 2.183 178.463 176.300 -0.033 0.000 1.064 430 M CA 1.510 56.827 55.300 0.027 0.000 1.102 430 M CB -1.232 31.431 32.600 0.105 0.000 1.369 430 M HN 0.067 nan 8.290 nan 0.000 0.408 431 K N -0.316 120.098 120.400 0.023 0.000 2.097 431 K HA -0.183 4.138 4.320 0.002 0.000 0.205 431 K C 1.950 178.542 176.600 -0.014 0.000 1.050 431 K CA 1.646 57.942 56.287 0.016 0.000 0.938 431 K CB -0.668 31.865 32.500 0.055 0.000 0.718 431 K HN 0.380 nan 8.250 nan 0.000 0.442 432 H N 0.125 119.120 119.070 -0.125 0.000 2.353 432 H HA -0.002 4.555 4.556 0.002 0.000 0.300 432 H C 1.700 176.870 175.328 -0.263 0.000 1.090 432 H CA 2.146 58.093 56.048 -0.168 0.000 1.327 432 H CB -0.180 29.463 29.762 -0.199 0.000 1.383 432 H HN 0.155 nan 8.280 nan 0.000 0.508 433 L N -0.297 120.638 121.223 -0.480 0.000 2.042 433 L HA -0.181 4.161 4.340 0.002 0.000 0.210 433 L C 2.299 179.005 176.870 -0.274 0.000 1.076 433 L CA 1.956 56.528 54.840 -0.447 0.000 0.749 433 L CB -0.480 41.372 42.059 -0.345 0.000 0.893 433 L HN 0.398 nan 8.230 nan 0.000 0.432 434 D N -0.252 120.039 120.400 -0.181 0.000 2.117 434 D HA -0.181 4.460 4.640 0.002 0.000 0.198 434 D C 1.938 178.171 176.300 -0.112 0.000 0.982 434 D CA 1.028 54.961 54.000 -0.111 0.000 0.828 434 D CB 0.144 40.907 40.800 -0.062 0.000 0.967 434 D HN 0.156 nan 8.370 nan 0.000 0.464 435 N N 0.429 119.053 118.700 -0.126 0.000 2.166 435 N HA -0.123 4.618 4.740 0.002 0.000 0.186 435 N C 1.515 176.951 175.510 -0.123 0.000 1.019 435 N CA 0.801 53.799 53.050 -0.086 0.000 0.856 435 N CB -0.186 38.285 38.487 -0.027 0.000 0.993 435 N HN 0.332 nan 8.380 nan 0.000 0.426 436 E N 0.456 120.501 120.200 -0.258 0.000 2.216 436 E HA -0.116 4.235 4.350 0.002 0.000 0.192 436 E C 1.817 178.326 176.600 -0.152 0.000 0.988 436 E CA 0.401 56.649 56.400 -0.253 0.000 0.834 436 E CB -0.043 29.392 29.700 -0.441 0.000 0.772 436 E HN 0.317 nan 8.360 nan 0.000 0.479 437 Q N 1.630 121.349 119.800 -0.136 0.000 2.050 437 Q HA -0.114 4.227 4.340 0.002 0.000 0.202 437 Q C 1.779 177.743 176.000 -0.060 0.000 0.980 437 Q CA 1.684 57.438 55.803 -0.081 0.000 0.840 437 Q CB 0.043 28.739 28.738 -0.070 0.000 0.898 437 Q HN 0.110 nan 8.270 nan 0.000 0.424 438 K N -0.798 119.568 120.400 -0.057 0.000 2.103 438 K HA 0.038 4.359 4.320 0.002 0.000 0.204 438 K C 1.977 178.558 176.600 -0.032 0.000 1.052 438 K CA 0.928 57.191 56.287 -0.039 0.000 0.945 438 K CB -0.082 32.400 32.500 -0.031 0.000 0.722 438 K HN 0.234 nan 8.250 nan 0.000 0.443 439 A N 1.316 124.115 122.820 -0.034 0.000 1.898 439 A HA -0.035 4.287 4.320 0.002 0.000 0.214 439 A C 1.734 179.305 177.584 -0.022 0.000 1.183 439 A CA 0.999 53.027 52.037 -0.014 0.000 0.622 439 A CB 0.051 19.057 19.000 0.010 0.000 0.824 439 A HN 0.150 nan 8.150 nan 0.000 0.444 440 R N -2.346 118.129 120.500 -0.043 0.000 2.549 440 R HA 0.267 4.608 4.340 0.002 0.000 0.361 440 R C 0.761 177.042 176.300 -0.031 0.000 0.969 440 R CA 0.461 56.541 56.100 -0.034 0.000 1.158 440 R CB 0.677 30.951 30.300 -0.043 0.000 1.456 440 R HN 0.659 nan 8.270 nan 0.000 0.540 441 G N 0.902 109.678 108.800 -0.040 0.000 2.147 441 G HA2 -0.201 3.760 3.960 0.002 0.000 0.244 441 G HA3 -0.201 3.760 3.960 0.002 0.000 0.244 441 G C 0.238 175.133 174.900 -0.009 0.000 1.005 441 G CA 0.159 45.235 45.100 -0.039 0.000 0.713 441 G HN 0.732 nan 8.290 nan 0.000 0.515 442 G N -2.470 106.328 108.800 -0.004 0.000 2.341 442 G HA2 0.542 4.503 3.960 0.002 0.000 0.293 442 G HA3 0.542 4.503 3.960 0.002 0.000 0.293 442 G C -0.779 174.136 174.900 0.025 0.000 1.298 442 G CA 0.491 45.619 45.100 0.046 0.000 0.868 442 G HN 2.027 nan 8.290 nan 0.000 0.540 443 C N 1.876 121.219 119.300 0.071 0.000 2.928 443 C HA 0.667 5.128 4.460 0.002 0.000 0.396 443 C C -2.591 172.370 174.990 -0.048 0.000 1.052 443 C CA -0.978 58.027 59.018 -0.022 0.000 1.251 443 C CB 1.145 28.800 27.740 -0.142 0.000 1.684 443 C HN 0.755 nan 8.230 nan 0.000 0.501 444 P HA 0.406 nan 4.420 nan 0.000 0.267 444 P C -0.607 176.594 177.300 -0.165 0.000 1.209 444 P CA 0.627 63.363 63.100 -0.608 0.000 0.763 444 P CB 1.080 32.191 31.700 -0.981 0.000 0.816 445 A N 2.612 125.401 122.820 -0.051 0.000 2.517 445 A HA 0.408 4.729 4.320 0.002 0.000 0.297 445 A C -1.163 176.481 177.584 0.099 0.000 1.050 445 A CA -0.568 51.533 52.037 0.107 0.000 0.694 445 A CB 1.329 20.518 19.000 0.316 0.000 1.277 445 A HN 0.448 nan 8.150 nan 0.000 0.400 446 D N 1.925 122.374 120.400 0.083 0.000 2.443 446 D HA 0.157 4.798 4.640 0.002 0.000 0.221 446 D C 0.817 177.254 176.300 0.230 0.000 1.097 446 D CA -0.491 53.588 54.000 0.132 0.000 0.865 446 D CB 0.373 41.193 40.800 0.034 0.000 1.034 446 D HN 0.588 nan 8.370 nan 0.000 0.511 447 W N 4.211 125.557 121.300 0.076 0.000 2.304 447 W HA -0.314 4.347 4.660 0.002 0.000 0.315 447 W C 1.940 178.503 176.519 0.074 0.000 1.233 447 W CA 2.389 59.769 57.345 0.058 0.000 1.261 447 W CB 0.054 29.523 29.460 0.016 0.000 1.150 447 W HN 0.569 nan 8.180 nan 0.000 0.494 448 A N -1.411 121.700 122.820 0.485 0.000 1.972 448 A HA -0.195 4.127 4.320 0.002 0.000 0.219 448 A C 1.508 179.192 177.584 0.166 0.000 1.169 448 A CA 1.606 53.858 52.037 0.358 0.000 0.635 448 A CB -1.255 17.978 19.000 0.388 0.000 0.810 448 A HN 0.523 nan 8.150 nan 0.000 0.446 449 W N -0.749 120.541 121.300 -0.018 0.000 2.630 449 W HA 0.164 4.825 4.660 0.002 0.000 0.271 449 W C 1.898 178.318 176.519 -0.164 0.000 1.244 449 W CA 0.012 57.318 57.345 -0.066 0.000 1.353 449 W CB -0.072 29.371 29.460 -0.029 0.000 1.080 449 W HN 0.139 nan 8.180 nan 0.000 0.594 450 I N -0.113 120.439 120.570 -0.029 0.000 2.286 450 I HA -0.094 4.077 4.170 0.002 0.000 0.245 450 I C 0.676 176.612 176.117 -0.302 0.000 1.104 450 I CA 0.838 61.991 61.300 -0.244 0.000 1.397 450 I CB -1.554 36.244 38.000 -0.336 0.000 1.072 450 I HN -0.416 nan 8.210 nan 0.000 0.417 451 V N 3.802 123.457 119.914 -0.432 0.000 2.521 451 V HA 0.076 4.197 4.120 0.002 0.000 0.286 451 V C -1.899 174.027 176.094 -0.281 0.000 1.034 451 V CA -1.068 60.962 62.300 -0.449 0.000 1.045 451 V CB 0.104 31.435 31.823 -0.820 0.000 0.974 451 V HN 0.127 nan 8.190 nan 0.000 0.480 452 P HA 0.082 nan 4.420 nan 0.000 0.268 452 P C -1.735 175.437 177.300 -0.214 0.000 1.208 452 P CA -0.953 62.024 63.100 -0.204 0.000 0.777 452 P CB 0.072 31.663 31.700 -0.181 0.000 0.875 453 P HA -0.024 nan 4.420 nan 0.000 0.230 453 P C 0.179 177.365 177.300 -0.190 0.000 1.158 453 P CA 1.174 64.152 63.100 -0.203 0.000 0.769 453 P CB -0.001 31.570 31.700 -0.216 0.000 0.807 454 I N -6.865 113.558 120.570 -0.245 0.000 2.934 454 I HA 0.461 4.632 4.170 0.002 0.000 0.306 454 I C -0.075 175.936 176.117 -0.177 0.000 1.110 454 I CA -1.272 59.901 61.300 -0.211 0.000 1.019 454 I CB 1.934 39.782 38.000 -0.253 0.000 1.227 454 I HN -0.409 nan 8.210 nan 0.000 0.434 455 S N 2.091 117.738 115.700 -0.090 0.000 3.521 455 S HA -0.202 4.270 4.470 0.002 0.000 0.362 455 S C 1.369 175.939 174.600 -0.049 0.000 1.044 455 S CA 0.795 58.982 58.200 -0.021 0.000 1.091 455 S CB -1.753 61.517 63.200 0.116 0.000 0.908 455 S HN 1.268 nan 8.310 nan 0.000 0.473 456 G N 2.348 111.086 108.800 -0.103 0.000 2.631 456 G HA2 -0.335 3.626 3.960 0.002 0.000 0.219 456 G HA3 -0.335 3.626 3.960 0.002 0.000 0.219 456 G C 1.449 176.209 174.900 -0.233 0.000 1.214 456 G CA 1.534 46.573 45.100 -0.101 0.000 0.785 456 G HN 1.289 nan 8.290 nan 0.000 0.596 457 S N 0.285 115.584 115.700 -0.669 0.000 2.555 457 S HA 0.192 4.663 4.470 0.002 0.000 0.230 457 S C 2.064 176.574 174.600 -0.150 0.000 0.978 457 S CA 0.500 58.153 58.200 -0.913 0.000 0.934 457 S CB -0.159 62.299 63.200 -1.237 0.000 0.766 457 S HN 0.325 nan 8.310 nan 0.000 0.533 458 L N 1.942 123.142 121.223 -0.039 0.000 2.492 458 L HA 0.131 4.472 4.340 0.002 0.000 0.223 458 L C 1.281 178.273 176.870 0.203 0.000 1.132 458 L CA 0.554 55.462 54.840 0.113 0.000 0.850 458 L CB -0.955 41.200 42.059 0.161 0.000 0.966 458 L HN 0.494 nan 8.230 nan 0.000 0.454 459 T N -4.232 110.424 114.554 0.170 0.000 2.925 459 T HA 0.311 4.663 4.350 0.002 0.000 0.285 459 T C -1.625 173.230 174.700 0.258 0.000 1.021 459 T CA -2.007 60.213 62.100 0.201 0.000 1.042 459 T CB 2.009 70.944 68.868 0.111 0.000 1.037 459 T HN -0.200 nan 8.240 nan 0.000 0.481 460 P HA -0.111 nan 4.420 nan 0.000 0.218 460 P C 1.824 179.314 177.300 0.317 0.000 1.149 460 P CA 1.269 64.560 63.100 0.318 0.000 0.817 460 P CB -0.362 31.474 31.700 0.227 0.000 0.785 461 V N -3.639 116.408 119.914 0.221 0.000 2.720 461 V HA -0.199 3.922 4.120 0.002 0.000 0.256 461 V C 2.387 178.541 176.094 0.101 0.000 1.082 461 V CA 1.282 63.682 62.300 0.168 0.000 1.101 461 V CB -2.271 29.597 31.823 0.074 0.000 0.693 461 V HN -0.108 nan 8.190 nan 0.000 0.479 462 F N 1.811 121.703 119.950 -0.096 0.000 2.171 462 F HA -0.147 4.381 4.527 0.002 0.000 0.300 462 F C 2.411 178.281 175.800 0.118 0.000 1.090 462 F CA 2.152 60.074 58.000 -0.129 0.000 1.293 462 F CB -0.241 38.567 39.000 -0.320 0.000 1.013 462 F HN 0.284 nan 8.300 nan 0.000 0.486 463 H N -0.792 118.581 119.070 0.506 0.000 2.533 463 H HA 0.120 4.678 4.556 0.002 0.000 0.271 463 H C 0.155 175.718 175.328 0.391 0.000 1.000 463 H CA 0.181 56.489 56.048 0.433 0.000 1.149 463 H CB -0.224 29.785 29.762 0.412 0.000 1.375 463 H HN 0.266 nan 8.280 nan 0.000 0.582 464 Q N 1.906 121.968 119.800 0.437 0.000 2.325 464 Q HA 0.175 4.516 4.340 0.002 0.000 0.262 464 Q C -0.585 175.648 176.000 0.389 0.000 0.968 464 Q CA -0.480 55.544 55.803 0.369 0.000 0.877 464 Q CB 0.940 29.858 28.738 0.301 0.000 1.253 464 Q HN 0.230 nan 8.270 nan 0.000 0.448 465 E N 3.464 123.849 120.200 0.309 0.000 2.383 465 E HA 0.298 4.649 4.350 0.002 0.000 0.264 465 E C -0.455 176.283 176.600 0.230 0.000 1.050 465 E CA 0.207 56.745 56.400 0.230 0.000 0.896 465 E CB 0.872 30.688 29.700 0.193 0.000 0.982 465 E HN 0.602 nan 8.360 nan 0.000 0.424 466 M N 1.122 120.855 119.600 0.222 0.000 2.593 466 M HA 0.412 4.893 4.480 0.002 0.000 0.290 466 M C -1.172 175.235 176.300 0.179 0.000 1.244 466 M CA -1.052 54.383 55.300 0.225 0.000 0.857 466 M CB 2.381 35.166 32.600 0.309 0.000 1.738 466 M HN 0.146 nan 8.290 nan 0.000 0.461 467 V N 1.629 121.659 119.914 0.193 0.000 2.448 467 V HA 0.489 4.610 4.120 0.002 0.000 0.295 467 V C -0.816 175.399 176.094 0.203 0.000 1.025 467 V CA -0.712 61.732 62.300 0.240 0.000 0.859 467 V CB 1.695 33.727 31.823 0.349 0.000 0.988 467 V HN 0.803 nan 8.190 nan 0.000 0.431 468 N N 3.780 122.593 118.700 0.188 0.000 2.392 468 N HA 0.680 5.421 4.740 0.002 0.000 0.283 468 N C -1.230 174.375 175.510 0.157 0.000 1.003 468 N CA -0.421 52.655 53.050 0.043 0.000 0.892 468 N CB 1.387 39.901 38.487 0.046 0.000 1.193 468 N HN 0.678 nan 8.380 nan 0.000 0.487 469 Y N 0.290 120.605 120.300 0.025 0.000 2.689 469 Y HA 0.561 5.112 4.550 0.002 0.000 0.333 469 Y C -1.100 174.799 175.900 -0.002 0.000 1.208 469 Y CA -1.252 56.856 58.100 0.013 0.000 1.055 469 Y CB 0.838 39.311 38.460 0.021 0.000 1.304 469 Y HN 0.191 nan 8.280 nan 0.000 0.455 470 I N 3.447 124.110 120.570 0.155 0.000 2.321 470 I HA 0.416 4.587 4.170 0.002 0.000 0.291 470 I C -0.687 175.492 176.117 0.103 0.000 0.998 470 I CA -0.432 60.903 61.300 0.058 0.000 1.227 470 I CB 0.968 38.985 38.000 0.029 0.000 1.368 470 I HN 0.424 nan 8.210 nan 0.000 0.466 471 L N 4.838 126.089 121.223 0.047 0.000 2.319 471 L HA 0.608 4.949 4.340 0.002 0.000 0.267 471 L C -0.042 176.826 176.870 -0.002 0.000 1.011 471 L CA -0.594 54.280 54.840 0.057 0.000 0.818 471 L CB 2.084 44.179 42.059 0.060 0.000 1.316 471 L HN 0.510 nan 8.230 nan 0.000 0.432 472 S N 0.689 116.396 115.700 0.012 0.000 2.526 472 S HA 0.635 5.106 4.470 0.002 0.000 0.293 472 S C -2.634 171.979 174.600 0.023 0.000 1.092 472 S CA -1.386 56.807 58.200 -0.011 0.000 0.980 472 S CB 1.934 65.139 63.200 0.009 0.000 1.048 472 S HN 0.235 nan 8.310 nan 0.000 0.483 473 P HA 0.356 nan 4.420 nan 0.000 0.267 473 P C -1.318 175.861 177.300 -0.201 0.000 1.201 473 P CA 0.087 63.103 63.100 -0.139 0.000 0.775 473 P CB 0.462 32.048 31.700 -0.191 0.000 0.854 474 A N 1.902 124.561 122.820 -0.269 0.000 2.606 474 A HA 0.683 5.004 4.320 0.002 0.000 0.293 474 A C -1.555 175.805 177.584 -0.375 0.000 1.082 474 A CA -0.516 51.359 52.037 -0.269 0.000 0.685 474 A CB 0.861 19.777 19.000 -0.140 0.000 1.284 474 A HN 0.347 nan 8.150 nan 0.000 0.408 475 F N 0.970 120.824 119.950 -0.159 0.000 2.420 475 F HA 0.668 5.196 4.527 0.002 0.000 0.342 475 F C 0.918 176.605 175.800 -0.190 0.000 1.113 475 F CA 0.138 58.040 58.000 -0.163 0.000 1.059 475 F CB 1.802 40.653 39.000 -0.248 0.000 1.128 475 F HN 0.569 nan 8.300 nan 0.000 0.475 476 R N 1.645 122.162 120.500 0.028 0.000 2.867 476 R HA 0.488 4.829 4.340 0.002 0.000 0.268 476 R C -1.563 174.718 176.300 -0.032 0.000 1.014 476 R CA -1.147 54.898 56.100 -0.091 0.000 0.946 476 R CB 1.594 31.870 30.300 -0.040 0.000 1.208 476 R HN 0.387 nan 8.270 nan 0.000 0.477 477 Y N 1.193 121.513 120.300 0.035 0.000 2.300 477 Y HA 0.205 4.756 4.550 0.002 0.000 0.328 477 Y C 0.543 176.444 175.900 0.000 0.000 1.270 477 Y CA -0.264 57.848 58.100 0.021 0.000 1.352 477 Y CB 0.885 39.344 38.460 -0.002 0.000 1.286 477 Y HN 0.453 nan 8.280 nan 0.000 0.536 478 Q N 1.087 120.983 119.800 0.160 0.000 2.456 478 Q HA 0.637 4.978 4.340 0.002 0.000 0.284 478 Q C -3.145 172.823 176.000 -0.053 0.000 1.061 478 Q CA -2.489 53.338 55.803 0.040 0.000 0.799 478 Q CB 2.158 30.913 28.738 0.030 0.000 1.445 478 Q HN 0.262 nan 8.270 nan 0.000 0.411 479 P HA 0.061 nan 4.420 nan 0.000 0.268 479 P C -0.998 176.094 177.300 -0.347 0.000 1.208 479 P CA 0.036 63.011 63.100 -0.207 0.000 0.777 479 P CB 0.368 31.962 31.700 -0.178 0.000 0.875 480 D N 3.209 123.274 120.400 -0.560 0.000 2.424 480 D HA 0.017 4.658 4.640 0.002 0.000 0.244 480 D C -1.016 174.698 176.300 -0.977 0.000 1.134 480 D CA -1.190 52.193 54.000 -1.028 0.000 0.881 480 D CB 0.261 40.052 40.800 -1.682 0.000 1.191 480 D HN 0.297 nan 8.370 nan 0.000 0.445 481 P HA -0.059 nan 4.420 nan 0.000 0.231 481 P C -0.014 176.971 177.300 -0.525 0.000 1.158 481 P CA 0.645 63.373 63.100 -0.619 0.000 0.763 481 P CB 0.063 31.420 31.700 -0.571 0.000 0.805 482 W N 0.000 120.922 121.300 -0.630 0.000 2.388 482 W HA 0.000 4.661 4.660 0.002 0.000 0.303 482 W CA 0.000 57.114 57.345 -0.385 0.000 1.226 482 W CB 0.000 29.169 29.460 -0.485 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535