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 9jdw_1_A DATA FIRST_RESID 64 DATA SEQUENCE CPVSSYNEWD PLEEVIVGRA ENACVPPFTI EVKANTYEKY WPFYQKQGGH DATA SEQUENCE YFPKDHLKKA VAEIEEMCNI LKTEGVTVRR PDPIDWSLKY KTPDFESTGL DATA SEQUENCE YSAMPRDILI VVGNEIIEAP MAWRSRFFEY RAYRSIIKDY FHRGAKWTTA DATA SEQUENCE PKPTMADELY NQDYPIHSVE DRHKLAAQGK FVTTEFEPCF DAADFIRAGR DATA SEQUENCE DIFAQRSQVT NYLGIEWMRR HLAPDYRVHI ISFKDPNPMH IDATFNIIGP DATA SEQUENCE GIVLSNPDRP CHQIDLFKKA GWTIITPPTP IIPDDHPLWM SSKWLSMNVL DATA SEQUENCE MLDEKRVMVD ANEVPIQKMF EKLGITTIKV NIRNANSLGG GFHCWTCDVR DATA SEQUENCE RRGTLQSYLD 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 64 C HA 0.000 nan 4.460 nan 0.000 0.325 64 C C 0.000 174.962 174.990 -0.047 0.000 1.270 64 C CA 0.000 59.005 59.018 -0.021 0.000 1.963 64 C CB 0.000 27.732 27.740 -0.014 0.000 2.134 65 P HA -0.093 nan 4.420 nan 0.000 0.217 65 P C -1.257 175.890 177.300 -0.255 0.000 1.150 65 P CA 0.760 63.798 63.100 -0.104 0.000 0.832 65 P CB 0.508 32.199 31.700 -0.016 0.000 0.787 66 V N -2.842 116.893 119.914 -0.298 0.000 2.432 66 V HA 0.282 nan 4.120 nan 0.000 0.275 66 V C -0.555 175.407 176.094 -0.220 0.000 1.043 66 V CA -0.392 61.711 62.300 -0.328 0.000 0.925 66 V CB -0.395 31.231 31.823 -0.327 0.000 0.985 66 V HN -0.301 7.740 8.190 -0.221 0.016 0.466 67 S N 7.384 122.939 115.700 -0.243 0.000 2.288 67 S HA 0.153 nan 4.470 nan 0.000 0.258 67 S C -2.672 171.725 174.600 -0.338 0.000 0.919 67 S CA 1.098 59.129 58.200 -0.282 0.000 1.010 67 S CB 1.735 64.834 63.200 -0.168 0.000 1.231 67 S HN 0.793 8.950 8.310 -0.256 0.000 0.403 68 S N 6.612 122.016 115.700 -0.492 0.000 2.626 68 S HA 0.404 nan 4.470 nan 0.000 0.275 68 S C -1.270 173.051 174.600 -0.464 0.000 1.175 68 S CA -0.747 57.222 58.200 -0.384 0.000 0.982 68 S CB 1.281 64.346 63.200 -0.226 0.000 1.093 68 S HN 0.056 8.017 8.310 -0.581 0.000 0.472 69 Y N 5.702 125.972 120.300 -0.049 0.000 2.444 69 Y HA 0.166 nan 4.550 nan 0.000 0.249 69 Y C -1.302 174.560 175.900 -0.063 0.000 1.134 69 Y CA -0.292 57.813 58.100 0.008 0.000 1.261 69 Y CB 1.073 39.583 38.460 0.084 0.000 1.143 69 Y HN 0.739 8.975 8.280 -0.073 0.000 0.523 70 N N -3.917 114.700 118.700 -0.138 0.000 3.378 70 N HA 0.117 nan 4.740 nan 0.000 0.294 70 N C -0.759 174.490 175.510 -0.435 0.000 1.544 70 N CA -0.619 52.162 53.050 -0.449 0.000 0.872 70 N CB 0.979 38.719 38.487 -1.246 0.000 1.670 70 N HN -0.902 7.382 8.380 -0.160 0.000 0.551 71 E N -3.019 116.895 120.200 -0.477 0.000 2.474 71 E HA 0.056 nan 4.350 nan 0.000 0.195 71 E C -0.618 176.020 176.600 0.063 0.000 1.039 71 E CA 1.068 57.449 56.400 -0.032 0.000 0.881 71 E CB 0.036 29.876 29.700 0.233 0.000 0.970 71 E HN 0.234 8.119 8.360 -0.792 0.000 0.486 72 W N -4.771 116.538 121.300 0.015 0.000 2.773 72 W HA 0.225 nan 4.660 nan 0.000 0.297 72 W C -0.683 175.832 176.519 -0.007 0.000 1.050 72 W CA -1.063 56.269 57.345 -0.022 0.000 1.467 72 W CB 0.791 30.202 29.460 -0.081 0.000 0.977 72 W HN -0.584 7.155 8.180 -1.059 -0.194 0.573 73 D N 2.598 122.887 120.400 -0.185 0.000 2.390 73 D HA 0.076 nan 4.640 nan 0.000 0.236 73 D C -1.423 174.889 176.300 0.020 0.000 1.189 73 D CA -0.044 53.949 54.000 -0.012 0.000 0.887 73 D CB 0.177 40.946 40.800 -0.052 0.000 1.198 73 D HN -0.427 7.925 8.370 -0.579 -0.329 0.444 74 P HA -0.168 nan 4.420 nan 0.000 0.255 74 P C -1.308 175.997 177.300 0.007 0.000 1.173 74 P CA 0.706 63.822 63.100 0.027 0.000 0.780 74 P CB -0.235 31.484 31.700 0.031 0.000 0.758 75 L N 6.048 127.273 121.223 0.004 0.000 2.455 75 L HA -0.150 nan 4.340 nan 0.000 0.272 75 L C -1.035 175.833 176.870 -0.003 0.000 1.174 75 L CA 1.268 56.106 54.840 -0.005 0.000 0.869 75 L CB 0.526 42.585 42.059 0.000 0.000 1.130 75 L HN 0.013 8.248 8.230 0.009 0.000 0.474 76 E N 3.621 123.815 120.200 -0.009 0.000 2.467 76 E HA 0.206 nan 4.350 nan 0.000 0.213 76 E C -0.621 175.981 176.600 0.004 0.000 0.823 76 E CA 0.363 56.761 56.400 -0.003 0.000 1.233 76 E CB 3.162 32.858 29.700 -0.006 0.000 1.233 76 E HN 0.725 9.074 8.360 -0.018 0.000 0.585 77 E N -1.240 118.959 120.200 -0.002 0.000 2.343 77 E HA 0.681 nan 4.350 nan 0.000 0.278 77 E C -2.788 173.825 176.600 0.021 0.000 0.910 77 E CA -0.636 55.776 56.400 0.019 0.000 0.757 77 E CB 4.274 33.987 29.700 0.022 0.000 1.218 77 E HN -0.552 7.797 8.360 -0.018 0.000 0.435 78 V N 4.067 124.014 119.914 0.054 0.000 3.087 78 V HA 0.709 nan 4.120 nan 0.000 0.306 78 V C -2.375 173.779 176.094 0.099 0.000 1.187 78 V CA -1.603 60.733 62.300 0.060 0.000 0.999 78 V CB 4.580 36.433 31.823 0.051 0.000 1.049 78 V HN 0.837 9.068 8.190 0.068 0.000 0.431 79 I N 5.305 125.941 120.570 0.111 0.000 2.377 79 I HA 0.625 nan 4.170 nan 0.000 0.293 79 I C -1.545 174.661 176.117 0.148 0.000 0.987 79 I CA -1.046 60.343 61.300 0.149 0.000 1.185 79 I CB 2.207 40.323 38.000 0.193 0.000 1.341 79 I HN 0.109 8.370 8.210 0.085 0.000 0.455 80 V N 5.771 125.780 119.914 0.160 0.000 2.495 80 V HA 0.590 nan 4.120 nan 0.000 0.298 80 V C 0.407 176.638 176.094 0.228 0.000 1.031 80 V CA -2.152 60.266 62.300 0.197 0.000 0.871 80 V CB 1.893 33.817 31.823 0.168 0.000 0.988 80 V HN 0.505 8.781 8.190 0.144 0.000 0.432 81 G N 5.963 114.936 108.800 0.289 0.000 2.647 81 G HA2 0.177 nan 3.960 nan 0.000 0.271 81 G HA3 0.177 nan 3.960 nan 0.000 0.271 81 G C -1.870 173.209 174.900 0.298 0.000 1.300 81 G CA 0.072 45.301 45.100 0.215 0.000 0.997 81 G HN 0.738 9.224 8.290 0.326 0.000 0.533 82 R N -1.335 119.281 120.500 0.193 0.000 2.686 82 R HA 0.306 nan 4.340 nan 0.000 0.283 82 R C -0.918 175.517 176.300 0.226 0.000 0.978 82 R CA -1.251 54.991 56.100 0.237 0.000 0.897 82 R CB 3.170 33.567 30.300 0.162 0.000 1.192 82 R HN -0.033 8.139 8.270 0.031 0.117 0.457 83 A N 1.795 124.794 122.820 0.299 0.000 2.220 83 A HA 0.010 nan 4.320 nan 0.000 0.211 83 A C -0.566 177.164 177.584 0.245 0.000 1.176 83 A CA 0.420 52.622 52.037 0.276 0.000 0.834 83 A CB 0.370 19.555 19.000 0.308 0.000 0.868 83 A HN 0.386 8.700 8.150 0.274 0.000 0.488 84 E N -1.096 119.240 120.200 0.226 0.000 2.465 84 E HA -0.247 nan 4.350 nan 0.000 0.260 84 E C -0.782 176.017 176.600 0.333 0.000 0.980 84 E CA 0.816 57.345 56.400 0.214 0.000 0.927 84 E CB -0.295 29.502 29.700 0.161 0.000 0.934 84 E HN -0.201 8.235 8.360 0.208 0.049 0.459 85 N N -2.723 116.129 118.700 0.252 0.000 2.713 85 N HA -0.423 nan 4.740 nan 0.000 0.251 85 N C -0.930 175.030 175.510 0.750 0.000 1.117 85 N CA 0.992 54.279 53.050 0.393 0.000 0.770 85 N CB -1.472 37.264 38.487 0.416 0.000 1.137 85 N HN 0.276 8.724 8.380 0.113 0.000 0.566 86 A N -1.180 122.011 122.820 0.618 0.000 2.540 86 A HA -0.101 nan 4.320 nan 0.000 0.239 86 A C -0.586 177.414 177.584 0.693 0.000 1.061 86 A CA 1.043 53.466 52.037 0.642 0.000 0.758 86 A CB 0.607 19.978 19.000 0.619 0.000 0.991 86 A HN -0.660 7.716 8.150 0.477 0.060 0.502 87 C N 4.303 123.884 119.300 0.468 0.000 2.561 87 C HA 0.665 nan 4.460 nan 0.000 0.319 87 C C -0.167 174.728 174.990 -0.159 0.000 1.198 87 C CA -0.213 58.875 59.018 0.116 0.000 1.665 87 C CB 2.635 30.386 27.740 0.017 0.000 2.258 87 C HN 0.194 8.558 8.230 0.404 0.108 0.493 88 V N 4.633 124.169 119.914 -0.630 0.000 2.521 88 V HA 0.184 nan 4.120 nan 0.000 0.286 88 V C -1.375 174.530 176.094 -0.314 0.000 1.034 88 V CA -2.019 59.767 62.300 -0.856 0.000 1.045 88 V CB -0.092 31.057 31.823 -1.124 0.000 0.974 88 V HN 0.827 8.669 8.190 -0.581 0.000 0.480 89 P HA 0.400 nan 4.420 nan 0.000 0.271 89 P C -2.554 174.728 177.300 -0.030 0.000 1.218 89 P CA -2.364 60.738 63.100 0.003 0.000 0.780 89 P CB -0.523 31.244 31.700 0.112 0.000 0.901 90 P HA -0.019 nan 4.420 nan 0.000 0.267 90 P C -1.291 175.995 177.300 -0.023 0.000 1.200 90 P CA 0.192 63.246 63.100 -0.077 0.000 0.772 90 P CB 0.455 32.085 31.700 -0.117 0.000 0.855 91 F N 4.181 124.008 119.950 -0.204 0.000 2.679 91 F HA 0.080 nan 4.527 nan 0.000 0.351 91 F C -1.282 174.317 175.800 -0.335 0.000 1.279 91 F CA -1.893 55.940 58.000 -0.278 0.000 1.227 91 F CB -0.937 37.935 39.000 -0.214 0.000 1.623 91 F HN 0.288 8.653 8.300 0.108 0.000 0.666 92 T N -0.182 114.128 114.554 -0.406 0.000 2.923 92 T HA 0.278 nan 4.350 nan 0.000 0.281 92 T C 0.806 175.112 174.700 -0.658 0.000 0.995 92 T CA -2.784 59.018 62.100 -0.497 0.000 0.985 92 T CB 2.694 71.274 68.868 -0.481 0.000 1.114 92 T HN -0.488 7.487 8.240 -0.384 0.034 0.548 93 I N 0.980 121.206 120.570 -0.574 0.000 2.145 93 I HA -0.511 nan 4.170 nan 0.000 0.244 93 I C 0.894 176.692 176.117 -0.531 0.000 1.075 93 I CA 3.127 64.119 61.300 -0.513 0.000 1.332 93 I CB 0.134 37.927 38.000 -0.345 0.000 1.033 93 I HN 0.542 8.453 8.210 -0.498 0.000 0.410 94 E N -1.660 118.150 120.200 -0.650 0.000 2.208 94 E HA -0.253 nan 4.350 nan 0.000 0.193 94 E C 1.998 178.164 176.600 -0.723 0.000 0.988 94 E CA 2.872 58.923 56.400 -0.582 0.000 0.828 94 E CB -1.172 28.174 29.700 -0.590 0.000 0.763 94 E HN 0.365 8.251 8.360 -0.790 0.000 0.478 95 V N 1.598 120.939 119.914 -0.953 0.000 2.323 95 V HA -0.330 nan 4.120 nan 0.000 0.244 95 V C 2.516 178.275 176.094 -0.560 0.000 1.041 95 V CA 3.614 65.347 62.300 -0.946 0.000 1.025 95 V CB -0.639 30.719 31.823 -0.775 0.000 0.656 95 V HN -0.470 7.155 8.190 -0.908 0.020 0.451 96 K N -0.555 119.376 120.400 -0.782 0.000 2.103 96 K HA -0.387 nan 4.320 nan 0.000 0.207 96 K C 2.043 178.457 176.600 -0.310 0.000 1.048 96 K CA 3.168 58.912 56.287 -0.905 0.000 0.930 96 K CB -0.263 31.428 32.500 -1.347 0.000 0.716 96 K HN 0.053 7.763 8.250 -0.899 0.000 0.444 97 A N -3.557 119.143 122.820 -0.200 0.000 2.019 97 A HA -0.208 nan 4.320 nan 0.000 0.219 97 A C 1.250 178.920 177.584 0.144 0.000 1.164 97 A CA 2.569 54.636 52.037 0.051 0.000 0.644 97 A CB -0.311 18.690 19.000 0.001 0.000 0.805 97 A HN -0.201 7.739 8.150 -0.330 0.012 0.449 98 N N -5.400 113.381 118.700 0.134 0.000 2.356 98 N HA 0.043 nan 4.740 nan 0.000 0.178 98 N C -0.283 175.439 175.510 0.353 0.000 1.075 98 N CA 0.518 53.728 53.050 0.267 0.000 0.889 98 N CB 1.443 40.184 38.487 0.423 0.000 0.999 98 N HN -0.339 7.890 8.380 0.009 0.157 0.464 99 T N 3.671 118.438 114.554 0.356 0.000 2.817 99 T HA 0.132 nan 4.350 nan 0.000 0.293 99 T C 0.016 175.236 174.700 0.867 0.000 0.964 99 T CA 0.454 62.917 62.100 0.605 0.000 1.085 99 T CB 0.323 69.455 68.868 0.439 0.000 0.921 99 T HN -0.741 7.507 8.240 0.207 0.116 0.502 100 Y N 5.447 126.121 120.300 0.625 0.000 2.425 100 Y HA -0.143 nan 4.550 nan 0.000 0.331 100 Y C 1.099 177.075 175.900 0.127 0.000 1.157 100 Y CA -0.001 58.324 58.100 0.375 0.000 1.372 100 Y CB 0.376 39.049 38.460 0.354 0.000 1.253 100 Y HN 0.331 9.289 8.280 1.131 0.000 0.536 101 E N 5.557 125.607 120.200 -0.250 0.000 2.164 101 E HA -0.523 nan 4.350 nan 0.000 0.206 101 E C 2.430 178.835 176.600 -0.326 0.000 1.032 101 E CA 4.377 60.314 56.400 -0.772 0.000 0.832 101 E CB -0.242 29.147 29.700 -0.519 0.000 0.742 101 E HN 0.621 8.867 8.360 -0.191 0.000 0.460 102 K N -2.151 118.156 120.400 -0.154 0.000 2.218 102 K HA -0.272 nan 4.320 nan 0.000 0.205 102 K C 1.118 177.568 176.600 -0.250 0.000 1.046 102 K CA 2.381 58.503 56.287 -0.275 0.000 0.933 102 K CB -0.311 31.891 32.500 -0.497 0.000 0.728 102 K HN 0.095 8.289 8.250 -0.069 0.014 0.454 103 Y N -6.377 114.158 120.300 0.393 0.000 2.467 103 Y HA 0.182 nan 4.550 nan 0.000 0.250 103 Y C 0.588 176.917 175.900 0.715 0.000 1.155 103 Y CA -0.682 57.757 58.100 0.566 0.000 1.249 103 Y CB -0.198 38.701 38.460 0.731 0.000 1.146 103 Y HN -0.080 8.266 8.280 0.355 0.147 0.524 104 W N 0.293 121.834 121.300 0.402 0.000 2.342 104 W HA -0.120 nan 4.660 nan 0.000 0.297 104 W C -0.945 175.618 176.519 0.075 0.000 1.213 104 W CA 3.851 61.345 57.345 0.248 0.000 1.251 104 W CB -3.146 26.545 29.460 0.386 0.000 1.136 104 W HN -0.184 8.277 8.180 0.653 0.111 0.526 105 P HA -0.217 nan 4.420 nan 0.000 0.218 105 P C 1.105 178.487 177.300 0.137 0.000 1.149 105 P CA 3.137 66.361 63.100 0.207 0.000 0.817 105 P CB -0.376 31.440 31.700 0.193 0.000 0.785 106 F N -0.006 119.986 119.950 0.069 0.000 2.102 106 F HA -0.365 nan 4.527 nan 0.000 0.298 106 F C 1.192 176.822 175.800 -0.283 0.000 1.105 106 F CA 3.648 61.606 58.000 -0.071 0.000 1.239 106 F CB -0.021 38.992 39.000 0.022 0.000 0.991 106 F HN -0.827 7.647 8.300 0.468 0.106 0.474 107 Y N -2.002 118.079 120.300 -0.365 0.000 2.224 107 Y HA -0.527 nan 4.550 nan 0.000 0.289 107 Y C 2.656 178.125 175.900 -0.719 0.000 1.146 107 Y CA 4.464 62.109 58.100 -0.758 0.000 1.182 107 Y CB -0.315 37.412 38.460 -1.221 0.000 0.983 107 Y HN -0.254 8.150 8.280 0.208 0.000 0.524 108 Q N -1.177 118.368 119.800 -0.424 0.000 2.167 108 Q HA -0.300 nan 4.340 nan 0.000 0.202 108 Q C 1.712 177.621 176.000 -0.151 0.000 0.970 108 Q CA 2.862 58.555 55.803 -0.184 0.000 0.855 108 Q CB -0.110 28.618 28.738 -0.017 0.000 0.911 108 Q HN 0.083 8.046 8.270 -0.361 0.090 0.438 109 K N -2.283 117.991 120.400 -0.210 0.000 2.242 109 K HA -0.003 nan 4.320 nan 0.000 0.200 109 K C 1.499 177.910 176.600 -0.314 0.000 1.050 109 K CA 1.575 57.738 56.287 -0.207 0.000 0.981 109 K CB 0.462 32.863 32.500 -0.165 0.000 0.795 109 K HN -0.491 7.509 8.250 -0.238 0.108 0.477 110 Q N -2.873 116.612 119.800 -0.525 0.000 2.398 110 Q HA 0.056 nan 4.340 nan 0.000 0.204 110 Q C 0.903 176.679 176.000 -0.373 0.000 0.932 110 Q CA -0.309 55.118 55.803 -0.626 0.000 0.916 110 Q CB 0.871 28.824 28.738 -1.307 0.000 1.024 110 Q HN 0.344 8.127 8.270 -0.630 0.109 0.504 111 G N -1.806 106.778 108.800 -0.359 0.000 2.187 111 G HA2 -0.371 nan 3.960 nan 0.000 0.239 111 G HA3 -0.371 nan 3.960 nan 0.000 0.239 111 G C 0.047 174.812 174.900 -0.226 0.000 1.200 111 G CA 1.324 46.266 45.100 -0.263 0.000 0.888 111 G HN -0.533 7.522 8.290 -0.391 0.000 0.482 112 G N 5.475 114.093 108.800 -0.304 0.000 2.225 112 G HA2 -0.398 nan 3.960 nan 0.000 0.254 112 G HA3 -0.398 nan 3.960 nan 0.000 0.254 112 G C -0.628 173.911 174.900 -0.602 0.000 0.988 112 G CA 0.326 45.175 45.100 -0.418 0.000 0.625 112 G HN 0.633 8.752 8.290 -0.284 0.000 0.527 113 H N -0.233 118.626 119.070 -0.351 0.000 2.615 113 H HA 0.284 nan 4.556 nan 0.000 0.346 113 H C -1.040 174.073 175.328 -0.360 0.000 1.200 113 H CA -1.308 54.527 56.048 -0.355 0.000 1.264 113 H CB 1.678 31.279 29.762 -0.268 0.000 1.699 113 H HN -0.052 7.985 8.280 -0.253 0.091 0.567 114 Y N -2.744 117.567 120.300 0.018 0.000 2.457 114 Y HA -0.109 nan 4.550 nan 0.000 0.341 114 Y C 0.116 175.996 175.900 -0.033 0.000 1.240 114 Y CA 0.914 59.035 58.100 0.036 0.000 1.437 114 Y CB 0.380 38.908 38.460 0.113 0.000 1.328 114 Y HN 0.095 8.367 8.280 -0.014 0.000 0.588 115 F N 4.112 124.169 119.950 0.178 0.000 2.490 115 F HA -0.041 nan 4.527 nan 0.000 0.336 115 F C -1.126 174.734 175.800 0.101 0.000 1.178 115 F CA -0.057 57.947 58.000 0.007 0.000 1.301 115 F CB -0.117 38.879 39.000 -0.006 0.000 1.175 115 F HN -0.091 8.539 8.300 0.551 0.000 0.593 116 P HA -0.051 nan 4.420 nan 0.000 0.253 116 P C -0.143 177.336 177.300 0.297 0.000 1.159 116 P CA 0.346 63.616 63.100 0.282 0.000 0.779 116 P CB 0.048 31.955 31.700 0.345 0.000 0.745 117 K N 4.913 125.439 120.400 0.210 0.000 2.103 117 K HA -0.424 nan 4.320 nan 0.000 0.207 117 K C 1.397 178.088 176.600 0.153 0.000 1.048 117 K CA 4.321 60.701 56.287 0.154 0.000 0.930 117 K CB -0.485 32.060 32.500 0.075 0.000 0.716 117 K HN 0.632 8.992 8.250 0.183 0.000 0.444 118 D N -4.295 116.201 120.400 0.160 0.000 2.178 118 D HA -0.253 nan 4.640 nan 0.000 0.201 118 D C 2.028 178.422 176.300 0.156 0.000 0.980 118 D CA 3.024 57.102 54.000 0.130 0.000 0.842 118 D CB -0.898 39.973 40.800 0.119 0.000 0.948 118 D HN 0.480 8.950 8.370 0.167 0.000 0.472 119 H N 1.288 120.455 119.070 0.163 0.000 2.403 119 H HA -0.082 nan 4.556 nan 0.000 0.298 119 H C 2.246 177.673 175.328 0.165 0.000 1.059 119 H CA 2.923 59.083 56.048 0.186 0.000 1.363 119 H CB 0.626 30.581 29.762 0.321 0.000 1.410 119 H HN -0.665 7.720 8.280 0.367 0.115 0.528 120 L N -0.966 120.451 121.223 0.323 0.000 2.093 120 L HA -0.430 nan 4.340 nan 0.000 0.208 120 L C 1.706 178.651 176.870 0.126 0.000 1.085 120 L CA 3.013 57.996 54.840 0.238 0.000 0.755 120 L CB -0.396 41.795 42.059 0.219 0.000 0.904 120 L HN 0.157 8.496 8.230 0.332 0.090 0.435 121 K N -0.501 119.952 120.400 0.089 0.000 2.063 121 K HA -0.405 nan 4.320 nan 0.000 0.208 121 K C 2.286 178.887 176.600 0.001 0.000 1.048 121 K CA 3.800 60.110 56.287 0.039 0.000 0.928 121 K CB -0.297 32.222 32.500 0.031 0.000 0.713 121 K HN 0.010 8.314 8.250 0.113 0.013 0.442 122 K N -1.460 118.923 120.400 -0.028 0.000 2.097 122 K HA -0.280 nan 4.320 nan 0.000 0.205 122 K C 2.267 178.813 176.600 -0.090 0.000 1.050 122 K CA 2.991 59.229 56.287 -0.082 0.000 0.938 122 K CB -0.199 32.206 32.500 -0.158 0.000 0.718 122 K HN -0.779 7.461 8.250 -0.017 0.000 0.442 123 A N -0.136 122.649 122.820 -0.058 0.000 1.877 123 A HA -0.192 nan 4.320 nan 0.000 0.216 123 A C 2.085 179.606 177.584 -0.106 0.000 1.186 123 A CA 3.170 55.159 52.037 -0.080 0.000 0.620 123 A CB -0.761 18.268 19.000 0.047 0.000 0.822 123 A HN -0.501 7.565 8.150 -0.016 0.075 0.443 124 V N -0.651 119.247 119.914 -0.025 0.000 2.252 124 V HA -0.546 nan 4.120 nan 0.000 0.249 124 V C 2.001 178.063 176.094 -0.053 0.000 1.056 124 V CA 4.370 66.659 62.300 -0.017 0.000 1.022 124 V CB -1.308 30.526 31.823 0.019 0.000 0.641 124 V HN 0.266 8.465 8.190 0.015 0.000 0.445 125 A N -1.953 120.835 122.820 -0.053 0.000 1.883 125 A HA -0.415 nan 4.320 nan 0.000 0.217 125 A C 2.033 179.567 177.584 -0.084 0.000 1.186 125 A CA 3.495 55.498 52.037 -0.057 0.000 0.624 125 A CB -0.879 18.091 19.000 -0.050 0.000 0.822 125 A HN -0.239 7.885 8.150 -0.044 0.000 0.444 126 E N -0.993 119.134 120.200 -0.121 0.000 2.085 126 E HA -0.368 nan 4.350 nan 0.000 0.194 126 E C 2.642 179.132 176.600 -0.183 0.000 0.994 126 E CA 3.030 59.337 56.400 -0.155 0.000 0.801 126 E CB -0.098 29.475 29.700 -0.211 0.000 0.743 126 E HN -0.411 7.876 8.360 -0.122 0.000 0.453 127 I N -1.236 119.189 120.570 -0.241 0.000 2.439 127 I HA -0.326 nan 4.170 nan 0.000 0.251 127 I C 2.353 178.411 176.117 -0.099 0.000 1.139 127 I CA 2.054 63.210 61.300 -0.239 0.000 1.438 127 I CB -1.445 36.358 38.000 -0.329 0.000 1.085 127 I HN 0.293 8.357 8.210 -0.243 0.000 0.427 128 E N -0.069 120.090 120.200 -0.070 0.000 2.077 128 E HA -0.349 nan 4.350 nan 0.000 0.193 128 E C 2.748 179.330 176.600 -0.031 0.000 0.989 128 E CA 2.952 59.332 56.400 -0.033 0.000 0.800 128 E CB -0.815 28.870 29.700 -0.025 0.000 0.746 128 E HN 0.037 8.266 8.360 -0.081 0.082 0.452 129 E N 0.180 120.354 120.200 -0.043 0.000 2.051 129 E HA -0.250 nan 4.350 nan 0.000 0.192 129 E C 2.179 178.765 176.600 -0.024 0.000 0.991 129 E CA 2.274 58.654 56.400 -0.033 0.000 0.799 129 E CB -0.507 29.169 29.700 -0.040 0.000 0.748 129 E HN -0.407 7.919 8.360 -0.057 0.000 0.449 130 M N -0.066 119.519 119.600 -0.025 0.000 2.144 130 M HA -0.406 nan 4.480 nan 0.000 0.260 130 M C 2.055 178.360 176.300 0.008 0.000 1.067 130 M CA 3.913 59.217 55.300 0.006 0.000 1.095 130 M CB -0.015 32.599 32.600 0.023 0.000 1.365 130 M HN -0.237 8.023 8.290 -0.050 0.000 0.406 131 C N -1.743 117.559 119.300 0.003 0.000 2.440 131 C HA -0.387 nan 4.460 nan 0.000 0.278 131 C C 1.958 176.951 174.990 0.005 0.000 1.295 131 C CA 3.827 62.853 59.018 0.014 0.000 1.738 131 C CB -2.029 25.723 27.740 0.018 0.000 1.987 131 C HN 0.134 8.258 8.230 -0.011 0.099 0.492 132 N N 0.674 119.371 118.700 -0.004 0.000 2.120 132 N HA -0.306 nan 4.740 nan 0.000 0.188 132 N C 1.954 177.457 175.510 -0.012 0.000 1.024 132 N CA 3.531 56.577 53.050 -0.008 0.000 0.852 132 N CB -0.022 38.458 38.487 -0.012 0.000 1.003 132 N HN -0.412 7.861 8.380 -0.009 0.102 0.424 133 I N 0.660 121.220 120.570 -0.017 0.000 2.226 133 I HA -0.543 nan 4.170 nan 0.000 0.245 133 I C 1.386 177.488 176.117 -0.025 0.000 1.100 133 I CA 4.424 65.708 61.300 -0.027 0.000 1.374 133 I CB -0.176 37.800 38.000 -0.040 0.000 1.057 133 I HN 0.170 8.370 8.210 -0.016 0.000 0.413 134 L N -0.863 120.351 121.223 -0.015 0.000 2.042 134 L HA -0.520 nan 4.340 nan 0.000 0.210 134 L C 2.051 178.919 176.870 -0.004 0.000 1.076 134 L CA 3.651 58.486 54.840 -0.008 0.000 0.749 134 L CB -0.654 41.412 42.059 0.012 0.000 0.893 134 L HN -0.211 8.014 8.230 -0.008 0.000 0.432 135 K N -1.393 119.007 120.400 0.000 0.000 2.097 135 K HA -0.312 nan 4.320 nan 0.000 0.205 135 K C 3.176 179.773 176.600 -0.004 0.000 1.050 135 K CA 3.663 59.951 56.287 0.002 0.000 0.938 135 K CB -0.367 32.136 32.500 0.004 0.000 0.718 135 K HN -0.161 8.090 8.250 0.001 0.000 0.442 136 T N 2.516 117.064 114.554 -0.010 0.000 2.746 136 T HA -0.195 nan 4.350 nan 0.000 0.267 136 T C 1.496 176.187 174.700 -0.016 0.000 1.039 136 T CA 3.609 65.701 62.100 -0.014 0.000 1.142 136 T CB -0.384 68.472 68.868 -0.019 0.000 0.866 136 T HN -0.047 8.107 8.240 -0.011 0.079 0.444 137 E N -1.925 118.263 120.200 -0.020 0.000 2.485 137 E HA 0.081 nan 4.350 nan 0.000 0.194 137 E C 0.764 177.356 176.600 -0.013 0.000 1.098 137 E CA -0.587 55.799 56.400 -0.022 0.000 0.878 137 E CB -0.436 29.244 29.700 -0.033 0.000 0.939 137 E HN -0.092 8.165 8.360 -0.021 0.090 0.503 138 G N -1.587 107.209 108.800 -0.007 0.000 2.143 138 G HA2 -0.473 nan 3.960 nan 0.000 0.248 138 G HA3 -0.473 nan 3.960 nan 0.000 0.248 138 G C -0.651 174.250 174.900 0.003 0.000 0.991 138 G CA 0.620 45.720 45.100 -0.001 0.000 0.689 138 G HN -0.138 7.919 8.290 -0.007 0.228 0.522 139 V N 0.698 120.614 119.914 0.004 0.000 2.509 139 V HA 0.093 nan 4.120 nan 0.000 0.284 139 V C 0.208 176.313 176.094 0.020 0.000 1.047 139 V CA -0.421 61.885 62.300 0.011 0.000 0.952 139 V CB 0.373 32.202 31.823 0.010 0.000 0.988 139 V HN -0.251 7.901 8.190 0.000 0.039 0.469 140 T N 9.345 123.915 114.554 0.027 0.000 2.794 140 T HA 0.142 nan 4.350 nan 0.000 0.296 140 T C -1.284 173.447 174.700 0.051 0.000 0.949 140 T CA 0.530 62.653 62.100 0.038 0.000 1.101 140 T CB 0.086 68.982 68.868 0.048 0.000 0.905 140 T HN 0.357 8.503 8.240 0.025 0.109 0.516 141 V N 5.608 125.552 119.914 0.049 0.000 2.459 141 V HA 0.586 nan 4.120 nan 0.000 0.295 141 V C -0.527 175.605 176.094 0.063 0.000 1.029 141 V CA -1.107 61.228 62.300 0.060 0.000 0.874 141 V CB 1.162 33.015 31.823 0.051 0.000 0.985 141 V HN 0.388 8.602 8.190 0.040 0.000 0.438 142 R N 5.722 126.271 120.500 0.081 0.000 2.778 142 R HA 0.471 nan 4.340 nan 0.000 0.277 142 R C -1.619 174.725 176.300 0.074 0.000 0.977 142 R CA -2.583 53.557 56.100 0.066 0.000 0.950 142 R CB 2.781 33.126 30.300 0.074 0.000 1.165 142 R HN 0.568 8.897 8.270 0.098 0.000 0.474 143 R N 1.029 121.557 120.500 0.047 0.000 2.750 143 R HA 0.590 nan 4.340 nan 0.000 0.281 143 R C -2.617 173.682 176.300 -0.002 0.000 0.972 143 R CA -3.709 52.420 56.100 0.047 0.000 0.912 143 R CB 0.929 31.255 30.300 0.043 0.000 1.187 143 R HN 0.284 8.569 8.270 0.024 0.000 0.464 144 P HA 0.246 nan 4.420 nan 0.000 0.273 144 P C -1.010 176.226 177.300 -0.107 0.000 1.250 144 P CA -0.633 62.343 63.100 -0.206 0.000 0.793 144 P CB 0.972 32.336 31.700 -0.561 0.000 1.011 145 D N 0.317 120.650 120.400 -0.111 0.000 2.362 145 D HA 0.259 nan 4.640 nan 0.000 0.242 145 D C -1.413 174.869 176.300 -0.031 0.000 1.132 145 D CA -1.040 52.924 54.000 -0.060 0.000 0.907 145 D CB -0.541 40.219 40.800 -0.066 0.000 1.195 145 D HN -0.118 8.158 8.370 -0.156 0.000 0.429 146 P HA 0.129 nan 4.420 nan 0.000 0.282 146 P C -1.259 175.996 177.300 -0.075 0.000 1.262 146 P CA 0.104 63.205 63.100 0.002 0.000 0.773 146 P CB 0.528 32.228 31.700 0.001 0.000 0.879 147 I N 1.944 122.435 120.570 -0.132 0.000 2.769 147 I HA 0.095 nan 4.170 nan 0.000 0.298 147 I C -1.706 174.135 176.117 -0.460 0.000 1.128 147 I CA -1.813 59.245 61.300 -0.405 0.000 1.031 147 I CB 4.817 42.337 38.000 -0.800 0.000 1.235 147 I HN -0.331 7.879 8.210 -0.000 0.000 0.423 148 D N 4.294 124.480 120.400 -0.357 0.000 2.380 148 D HA 0.066 nan 4.640 nan 0.000 0.230 148 D C 0.150 176.304 176.300 -0.243 0.000 1.154 148 D CA -1.105 52.815 54.000 -0.135 0.000 0.859 148 D CB -0.286 40.508 40.800 -0.010 0.000 1.045 148 D HN 0.135 8.311 8.370 -0.323 0.000 0.495 149 W N 5.008 126.426 121.300 0.197 0.000 3.077 149 W HA -0.058 nan 4.660 nan 0.000 0.245 149 W C 0.327 176.891 176.519 0.074 0.000 1.316 149 W CA 0.510 57.953 57.345 0.163 0.000 1.537 149 W CB -0.609 28.976 29.460 0.209 0.000 1.131 149 W HN 0.170 8.507 8.180 0.262 0.000 0.695 150 S N -1.598 114.163 115.700 0.101 0.000 2.558 150 S HA -0.144 nan 4.470 nan 0.000 0.217 150 S C 0.396 174.959 174.600 -0.062 0.000 0.975 150 S CA 0.672 58.815 58.200 -0.096 0.000 0.912 150 S CB 0.081 63.077 63.200 -0.339 0.000 0.776 150 S HN -0.459 8.124 8.310 0.114 -0.205 0.526 151 L N 2.417 123.640 121.223 -0.000 0.000 2.499 151 L HA -0.100 nan 4.340 nan 0.000 0.273 151 L C -1.669 175.216 176.870 0.024 0.000 1.195 151 L CA 0.344 55.184 54.840 -0.001 0.000 0.882 151 L CB 1.046 43.102 42.059 -0.005 0.000 1.133 151 L HN -0.940 7.248 8.230 0.014 0.050 0.483 152 K N 6.660 127.030 120.400 -0.050 0.000 2.227 152 K HA 0.233 nan 4.320 nan 0.000 0.280 152 K C -0.916 175.651 176.600 -0.054 0.000 1.041 152 K CA -0.739 55.469 56.287 -0.133 0.000 0.905 152 K CB 0.618 33.034 32.500 -0.140 0.000 1.068 152 K HN -0.169 8.046 8.250 -0.058 0.000 0.470 153 Y N 3.821 124.118 120.300 -0.004 0.000 2.621 153 Y HA 0.435 nan 4.550 nan 0.000 0.334 153 Y C -2.403 173.457 175.900 -0.068 0.000 1.074 153 Y CA -2.754 55.323 58.100 -0.038 0.000 1.149 153 Y CB 2.877 41.338 38.460 0.001 0.000 1.302 153 Y HN 0.878 8.727 8.280 -0.718 0.000 0.501 154 K N 1.136 121.591 120.400 0.091 0.000 2.581 154 K HA 0.382 nan 4.320 nan 0.000 0.249 154 K C -1.365 175.140 176.600 -0.159 0.000 0.966 154 K CA -0.853 55.374 56.287 -0.100 0.000 0.811 154 K CB 2.318 34.764 32.500 -0.090 0.000 1.223 154 K HN 0.008 8.338 8.250 0.132 0.000 0.438 155 T N 2.376 116.680 114.554 -0.416 0.000 2.923 155 T HA 0.572 nan 4.350 nan 0.000 0.281 155 T C -0.490 174.045 174.700 -0.275 0.000 0.995 155 T CA -3.290 58.574 62.100 -0.392 0.000 0.985 155 T CB -0.410 68.021 68.868 -0.729 0.000 1.114 155 T HN 0.600 8.430 8.240 -0.683 0.000 0.548 156 P HA -0.038 nan 4.420 nan 0.000 0.225 156 P C -0.861 176.403 177.300 -0.060 0.000 1.148 156 P CA 1.772 64.824 63.100 -0.081 0.000 0.779 156 P CB 0.159 31.839 31.700 -0.033 0.000 0.780 157 D N -3.636 116.716 120.400 -0.080 0.000 2.388 157 D HA 0.094 nan 4.640 nan 0.000 0.208 157 D C -0.727 175.670 176.300 0.162 0.000 1.035 157 D CA 1.365 55.406 54.000 0.068 0.000 0.875 157 D CB 2.308 43.232 40.800 0.206 0.000 0.984 157 D HN -0.292 7.909 8.370 -0.185 0.058 0.508 158 F N -5.950 113.978 119.950 -0.037 0.000 2.807 158 F HA 0.345 nan 4.527 nan 0.000 0.316 158 F C -3.326 172.442 175.800 -0.054 0.000 1.162 158 F CA -1.270 56.705 58.000 -0.042 0.000 0.910 158 F CB 1.395 40.378 39.000 -0.029 0.000 1.314 158 F HN -0.867 7.158 8.300 -0.457 0.000 0.454 159 E N -0.494 119.755 120.200 0.080 0.000 2.266 159 E HA 0.737 nan 4.350 nan 0.000 0.268 159 E C -2.049 174.561 176.600 0.017 0.000 0.879 159 E CA -1.562 54.801 56.400 -0.062 0.000 0.762 159 E CB 2.923 32.578 29.700 -0.075 0.000 1.199 159 E HN -0.013 8.478 8.360 0.219 0.000 0.422 160 S N 2.064 117.612 115.700 -0.253 0.000 2.615 160 S HA 0.275 nan 4.470 nan 0.000 0.268 160 S C -2.445 171.770 174.600 -0.640 0.000 1.146 160 S CA -0.480 57.525 58.200 -0.324 0.000 0.818 160 S CB 2.618 65.768 63.200 -0.084 0.000 1.111 160 S HN 0.579 8.631 8.310 -0.430 0.000 0.465 161 T N -1.435 112.919 114.554 -0.334 0.000 2.952 161 T HA 0.821 nan 4.350 nan 0.000 0.286 161 T C -0.043 174.695 174.700 0.063 0.000 1.024 161 T CA -1.855 60.132 62.100 -0.188 0.000 1.029 161 T CB 1.581 70.364 68.868 -0.142 0.000 1.094 161 T HN -0.010 8.103 8.240 -0.212 0.000 0.515 162 G N 0.024 109.032 108.800 0.346 0.000 2.563 162 G HA2 0.518 nan 3.960 nan 0.000 0.283 162 G HA3 0.518 nan 3.960 nan 0.000 0.283 162 G C -2.165 172.925 174.900 0.317 0.000 1.309 162 G CA -0.499 44.940 45.100 0.565 0.000 1.022 162 G HN -0.105 8.376 8.290 0.319 0.000 0.501 163 L N -2.076 119.228 121.223 0.135 0.000 3.076 163 L HA 0.543 nan 4.340 nan 0.000 0.173 163 L C -1.544 175.073 176.870 -0.422 0.000 1.343 163 L CA -0.501 54.230 54.840 -0.182 0.000 0.894 163 L CB 3.091 44.918 42.059 -0.386 0.000 1.372 163 L HN -0.172 8.139 8.230 0.135 0.000 0.565 164 Y N -8.083 111.688 120.300 -0.881 0.000 2.925 164 Y HA 0.337 nan 4.550 nan 0.000 0.349 164 Y C -2.166 173.010 175.900 -1.207 0.000 1.342 164 Y CA -1.999 55.326 58.100 -1.292 0.000 1.093 164 Y CB 0.626 38.844 38.460 -0.403 0.000 1.571 164 Y HN -0.772 6.958 8.280 -0.917 0.000 0.438 165 S N -1.223 114.301 115.700 -0.293 0.000 2.740 165 S HA 0.262 nan 4.470 nan 0.000 0.244 165 S C 0.709 175.215 174.600 -0.158 0.000 1.101 165 S CA -1.862 56.295 58.200 -0.071 0.000 1.123 165 S CB 0.791 64.027 63.200 0.060 0.000 1.012 165 S HN 0.448 8.666 8.310 -0.154 0.000 0.491 166 A N 1.862 124.322 122.820 -0.601 0.000 1.930 166 A HA -0.024 nan 4.320 nan 0.000 0.215 166 A C -0.785 176.172 177.584 -1.045 0.000 1.176 166 A CA 2.455 53.847 52.037 -1.074 0.000 0.632 166 A CB 0.119 18.001 19.000 -1.864 0.000 0.819 166 A HN 0.033 7.665 8.150 -0.755 0.065 0.445 167 M N -4.256 114.922 119.600 -0.704 0.000 2.385 167 M HA 0.403 nan 4.480 nan 0.000 0.346 167 M C -1.896 174.285 176.300 -0.199 0.000 1.180 167 M CA -4.504 50.513 55.300 -0.471 0.000 1.154 167 M CB -1.521 30.851 32.600 -0.380 0.000 1.251 167 M HN -0.345 7.601 8.290 -0.574 0.000 0.430 168 P HA -0.158 nan 4.420 nan 0.000 0.220 168 P C 0.786 177.953 177.300 -0.222 0.000 1.148 168 P CA 2.275 65.295 63.100 -0.133 0.000 0.803 168 P CB -0.084 31.624 31.700 0.014 0.000 0.782 169 R N -3.315 117.064 120.500 -0.201 0.000 2.189 169 R HA -0.253 nan 4.340 nan 0.000 0.223 169 R C 0.689 176.851 176.300 -0.230 0.000 1.092 169 R CA 2.326 58.297 56.100 -0.216 0.000 0.989 169 R CB -0.614 29.540 30.300 -0.243 0.000 0.876 169 R HN -0.662 7.468 8.270 -0.187 0.028 0.457 170 D N -2.901 117.341 120.400 -0.262 0.000 2.224 170 D HA -0.038 nan 4.640 nan 0.000 0.205 170 D C 0.972 177.168 176.300 -0.174 0.000 0.965 170 D CA 2.971 56.802 54.000 -0.281 0.000 0.852 170 D CB 0.731 41.400 40.800 -0.218 0.000 0.947 170 D HN -0.381 7.680 8.370 -0.243 0.163 0.494 171 I N -3.144 117.307 120.570 -0.198 0.000 4.244 171 I HA 0.201 nan 4.170 nan 0.000 0.318 171 I C -1.978 174.014 176.117 -0.208 0.000 1.282 171 I CA 0.233 61.414 61.300 -0.199 0.000 1.276 171 I CB 2.070 39.942 38.000 -0.212 0.000 1.183 171 I HN -0.752 7.178 8.210 -0.239 0.136 0.431 172 L N -1.722 119.357 121.223 -0.240 0.000 2.346 172 L HA 0.616 nan 4.340 nan 0.000 0.276 172 L C -1.807 174.995 176.870 -0.113 0.000 1.006 172 L CA -1.002 53.729 54.840 -0.182 0.000 0.817 172 L CB 2.497 44.411 42.059 -0.241 0.000 1.272 172 L HN -0.317 7.751 8.230 -0.270 0.000 0.421 173 I N 1.469 121.996 120.570 -0.071 0.000 2.619 173 I HA 0.390 nan 4.170 nan 0.000 0.292 173 I C -2.631 173.445 176.117 -0.068 0.000 1.100 173 I CA -1.525 59.741 61.300 -0.057 0.000 1.043 173 I CB 4.455 42.433 38.000 -0.036 0.000 1.239 173 I HN 0.033 8.208 8.210 -0.058 0.000 0.420 174 V N 7.753 127.615 119.914 -0.086 0.000 2.370 174 V HA 0.560 nan 4.120 nan 0.000 0.283 174 V C -1.475 174.531 176.094 -0.148 0.000 1.023 174 V CA -0.930 61.300 62.300 -0.116 0.000 0.857 174 V CB 0.931 32.667 31.823 -0.145 0.000 0.985 174 V HN 0.243 8.387 8.190 -0.078 0.000 0.443 175 V N 6.668 126.477 119.914 -0.174 0.000 2.325 175 V HA 0.567 nan 4.120 nan 0.000 0.280 175 V C 0.495 176.453 176.094 -0.227 0.000 1.016 175 V CA -1.819 60.323 62.300 -0.264 0.000 0.818 175 V CB -0.333 31.236 31.823 -0.424 0.000 1.019 175 V HN 0.403 8.512 8.190 -0.135 0.000 0.434 176 G N 8.320 116.934 108.800 -0.311 0.000 2.543 176 G HA2 -0.460 nan 3.960 nan 0.000 0.286 176 G HA3 -0.460 nan 3.960 nan 0.000 0.286 176 G C -0.584 174.146 174.900 -0.283 0.000 1.153 176 G CA 1.412 46.302 45.100 -0.350 0.000 0.968 176 G HN 0.330 8.380 8.290 -0.400 0.000 0.544 177 N N 5.309 123.950 118.700 -0.097 0.000 2.251 177 N HA 0.075 nan 4.740 nan 0.000 0.217 177 N C -1.791 173.703 175.510 -0.026 0.000 1.124 177 N CA -0.356 52.653 53.050 -0.069 0.000 0.843 177 N CB 0.644 39.129 38.487 -0.003 0.000 1.024 177 N HN 0.196 8.574 8.380 -0.004 0.000 0.501 178 E N -0.134 120.049 120.200 -0.029 0.000 2.210 178 E HA 0.545 nan 4.350 nan 0.000 0.266 178 E C -2.601 174.008 176.600 0.014 0.000 0.883 178 E CA -1.546 54.876 56.400 0.036 0.000 0.761 178 E CB 3.464 33.208 29.700 0.074 0.000 1.156 178 E HN -0.564 7.658 8.360 -0.075 0.093 0.412 179 I N 6.467 127.076 120.570 0.065 0.000 2.336 179 I HA 0.626 nan 4.170 nan 0.000 0.292 179 I C -2.271 173.920 176.117 0.125 0.000 0.991 179 I CA -1.170 60.156 61.300 0.044 0.000 1.227 179 I CB 2.305 40.307 38.000 0.005 0.000 1.366 179 I HN 0.499 8.782 8.210 0.122 0.000 0.466 180 I N 9.308 129.918 120.570 0.068 0.000 2.378 180 I HA 0.382 nan 4.170 nan 0.000 0.291 180 I C -1.534 174.593 176.117 0.017 0.000 0.992 180 I CA -1.056 60.288 61.300 0.073 0.000 1.154 180 I CB 1.506 39.544 38.000 0.064 0.000 1.315 180 I HN 0.658 8.878 8.210 0.017 0.000 0.448 181 E N 6.877 127.075 120.200 -0.003 0.000 2.167 181 E HA 0.387 nan 4.350 nan 0.000 0.284 181 E C -0.925 175.545 176.600 -0.217 0.000 1.016 181 E CA -1.472 54.878 56.400 -0.084 0.000 0.817 181 E CB 1.026 30.697 29.700 -0.048 0.000 1.080 181 E HN 0.518 8.895 8.360 0.028 0.000 0.397 182 A N 5.683 128.355 122.820 -0.247 0.000 2.406 182 A HA 0.126 nan 4.320 nan 0.000 0.243 182 A C -1.680 175.526 177.584 -0.630 0.000 1.082 182 A CA -1.370 50.348 52.037 -0.532 0.000 0.786 182 A CB -0.863 17.948 19.000 -0.315 0.000 1.029 182 A HN 0.785 8.720 8.150 -0.171 0.112 0.495 183 P HA -0.030 nan 4.420 nan 0.000 0.221 183 P C -0.424 176.621 177.300 -0.425 0.000 1.155 183 P CA 0.355 63.066 63.100 -0.648 0.000 0.812 183 P CB 0.769 32.048 31.700 -0.702 0.000 0.801 184 M N -3.663 115.717 119.600 -0.365 0.000 7.319 184 M HA -0.329 nan 4.480 nan 0.000 0.149 184 M C -0.573 175.695 176.300 -0.054 0.000 0.480 184 M CA 0.706 55.913 55.300 -0.156 0.000 1.311 184 M CB -1.406 31.139 32.600 -0.092 0.000 0.421 184 M HN -0.129 7.848 8.290 -0.521 0.000 0.280 185 A N -2.408 120.467 122.820 0.092 0.000 2.664 185 A HA 0.196 nan 4.320 nan 0.000 0.222 185 A C -1.799 176.048 177.584 0.438 0.000 1.320 185 A CA -0.058 52.111 52.037 0.220 0.000 1.029 185 A CB 1.321 20.450 19.000 0.215 0.000 1.318 185 A HN 0.268 8.474 8.150 0.093 0.000 0.589 186 W N -2.415 118.915 121.300 0.049 0.000 2.433 186 W HA 0.173 nan 4.660 nan 0.000 0.315 186 W C 1.261 177.775 176.519 -0.008 0.000 1.087 186 W CA -2.359 54.983 57.345 -0.005 0.000 1.205 186 W CB 0.510 29.958 29.460 -0.020 0.000 1.288 186 W HN -0.735 7.662 8.180 0.362 0.000 0.504 187 R N 4.946 125.442 120.500 -0.007 0.000 2.120 187 R HA -0.431 nan 4.340 nan 0.000 0.234 187 R C 1.569 178.018 176.300 0.249 0.000 1.123 187 R CA 4.104 60.108 56.100 -0.161 0.000 0.975 187 R CB -0.213 29.724 30.300 -0.605 0.000 0.866 187 R HN 0.464 8.921 8.270 -0.186 -0.299 0.446 188 S N -2.968 112.872 115.700 0.233 0.000 2.603 188 S HA -0.160 nan 4.470 nan 0.000 0.229 188 S C 0.762 175.610 174.600 0.413 0.000 0.972 188 S CA 1.999 60.398 58.200 0.332 0.000 0.935 188 S CB -0.521 62.799 63.200 0.200 0.000 0.769 188 S HN 0.227 8.600 8.310 0.132 0.017 0.536 189 R N -1.232 119.499 120.500 0.384 0.000 2.543 189 R HA 0.147 nan 4.340 nan 0.000 0.323 189 R C 1.268 177.717 176.300 0.249 0.000 1.002 189 R CA -0.881 55.373 56.100 0.257 0.000 1.106 189 R CB -0.062 30.313 30.300 0.125 0.000 1.280 189 R HN -0.281 8.019 8.270 0.390 0.204 0.549 190 F N 2.764 122.833 119.950 0.199 0.000 2.126 190 F HA -0.348 nan 4.527 nan 0.000 0.299 190 F C -0.411 175.250 175.800 -0.231 0.000 1.096 190 F CA 4.272 62.267 58.000 -0.009 0.000 1.255 190 F CB 0.463 39.492 39.000 0.049 0.000 0.997 190 F HN -0.703 7.903 8.300 0.614 0.062 0.479 191 F N -5.397 114.637 119.950 0.140 0.000 2.668 191 F HA 0.183 nan 4.527 nan 0.000 0.297 191 F C 0.817 176.537 175.800 -0.132 0.000 1.124 191 F CA -1.211 56.653 58.000 -0.228 0.000 1.353 191 F CB -0.367 38.401 39.000 -0.386 0.000 0.992 191 F HN -0.524 7.951 8.300 0.291 0.000 0.524 192 E N 2.208 122.545 120.200 0.227 0.000 2.204 192 E HA -0.361 nan 4.350 nan 0.000 0.195 192 E C 1.617 178.443 176.600 0.377 0.000 0.990 192 E CA 3.366 59.969 56.400 0.338 0.000 0.821 192 E CB -0.152 29.638 29.700 0.151 0.000 0.750 192 E HN -0.485 7.810 8.360 0.181 0.174 0.477 193 Y N -4.048 116.430 120.300 0.296 0.000 2.315 193 Y HA -0.299 nan 4.550 nan 0.000 0.288 193 Y C 1.888 177.992 175.900 0.339 0.000 1.154 193 Y CA 1.279 59.556 58.100 0.295 0.000 1.229 193 Y CB -1.122 37.416 38.460 0.130 0.000 0.980 193 Y HN -0.154 8.241 8.280 0.235 0.025 0.540 194 R N -0.538 119.916 120.500 -0.077 0.000 2.127 194 R HA -0.436 nan 4.340 nan 0.000 0.238 194 R C 1.328 177.673 176.300 0.074 0.000 1.134 194 R CA 2.880 58.973 56.100 -0.013 0.000 0.975 194 R CB -0.628 29.562 30.300 -0.183 0.000 0.865 194 R HN -0.550 7.411 8.270 -0.447 0.040 0.447 195 A N -3.376 119.522 122.820 0.130 0.000 2.066 195 A HA -0.075 nan 4.320 nan 0.000 0.218 195 A C 1.137 178.600 177.584 -0.202 0.000 1.157 195 A CA 2.185 54.196 52.037 -0.044 0.000 0.670 195 A CB 0.171 19.171 19.000 -0.001 0.000 0.804 195 A HN -0.574 7.712 8.150 0.275 0.028 0.453 196 Y N -4.480 115.895 120.300 0.126 0.000 2.458 196 Y HA 0.127 nan 4.550 nan 0.000 0.256 196 Y C 1.625 177.534 175.900 0.015 0.000 1.159 196 Y CA 1.095 59.236 58.100 0.069 0.000 1.261 196 Y CB -0.061 38.446 38.460 0.077 0.000 1.119 196 Y HN -0.377 7.971 8.280 0.371 0.154 0.524 197 R N 0.596 121.199 120.500 0.172 0.000 2.105 197 R HA -0.348 nan 4.340 nan 0.000 0.239 197 R C 2.075 178.362 176.300 -0.021 0.000 1.135 197 R CA 3.013 59.166 56.100 0.090 0.000 0.967 197 R CB -1.213 29.196 30.300 0.182 0.000 0.861 197 R HN -0.526 7.862 8.270 0.197 0.000 0.442 198 S N 0.031 115.724 115.700 -0.012 0.000 2.359 198 S HA -0.246 nan 4.470 nan 0.000 0.224 198 S C 2.205 176.734 174.600 -0.118 0.000 1.035 198 S CA 3.791 61.964 58.200 -0.044 0.000 1.018 198 S CB -0.809 62.366 63.200 -0.041 0.000 0.876 198 S HN 0.212 8.527 8.310 0.008 0.000 0.448 199 I N 1.949 122.435 120.570 -0.141 0.000 2.142 199 I HA -0.413 nan 4.170 nan 0.000 0.240 199 I C 1.689 177.548 176.117 -0.430 0.000 1.078 199 I CA 3.451 64.573 61.300 -0.297 0.000 1.343 199 I CB -0.063 37.842 38.000 -0.160 0.000 1.046 199 I HN -0.869 7.297 8.210 -0.073 0.000 0.405 200 I N -0.513 119.887 120.570 -0.283 0.000 2.286 200 I HA -0.632 nan 4.170 nan 0.000 0.248 200 I C 1.933 177.751 176.117 -0.498 0.000 1.115 200 I CA 4.410 65.466 61.300 -0.408 0.000 1.392 200 I CB -0.523 37.079 38.000 -0.663 0.000 1.065 200 I HN -0.149 7.955 8.210 -0.176 0.000 0.418 201 K N -0.963 119.194 120.400 -0.406 0.000 2.148 201 K HA -0.388 nan 4.320 nan 0.000 0.204 201 K C 2.104 178.756 176.600 0.087 0.000 1.050 201 K CA 3.812 59.989 56.287 -0.184 0.000 0.942 201 K CB -0.520 31.980 32.500 -0.000 0.000 0.724 201 K HN 0.097 8.150 8.250 -0.329 0.000 0.446 202 D N 0.033 120.436 120.400 0.006 0.000 2.097 202 D HA -0.241 nan 4.640 nan 0.000 0.195 202 D C 2.314 178.664 176.300 0.084 0.000 0.989 202 D CA 3.170 57.195 54.000 0.041 0.000 0.827 202 D CB -0.151 40.549 40.800 -0.167 0.000 0.966 202 D HN -0.660 7.618 8.370 -0.131 0.013 0.456 203 Y N -1.731 118.579 120.300 0.017 0.000 2.224 203 Y HA -0.338 nan 4.550 nan 0.000 0.289 203 Y C 2.265 178.181 175.900 0.026 0.000 1.146 203 Y CA 1.932 60.034 58.100 0.003 0.000 1.182 203 Y CB -0.547 37.890 38.460 -0.038 0.000 0.983 203 Y HN -0.477 7.667 8.280 -0.227 0.000 0.524 204 F N 1.180 121.156 119.950 0.043 0.000 2.102 204 F HA -0.445 nan 4.527 nan 0.000 0.298 204 F C 2.372 178.183 175.800 0.019 0.000 1.105 204 F CA 3.610 61.620 58.000 0.016 0.000 1.239 204 F CB 0.076 39.063 39.000 -0.022 0.000 0.991 204 F HN 0.283 8.627 8.300 0.195 0.074 0.474 205 H N -1.389 117.695 119.070 0.024 0.000 2.457 205 H HA -0.204 nan 4.556 nan 0.000 0.297 205 H C 1.560 176.832 175.328 -0.093 0.000 1.092 205 H CA 3.323 59.334 56.048 -0.061 0.000 1.309 205 H CB -0.122 29.662 29.762 0.037 0.000 1.382 205 H HN 0.295 8.536 8.280 0.121 0.112 0.535 206 R N -4.010 116.535 120.500 0.074 0.000 2.356 206 R HA 0.109 nan 4.340 nan 0.000 0.234 206 R C 0.342 176.637 176.300 -0.008 0.000 0.929 206 R CA -0.402 55.726 56.100 0.047 0.000 1.084 206 R CB 0.364 30.725 30.300 0.102 0.000 1.105 206 R HN -0.602 7.590 8.270 0.118 0.149 0.515 207 G N -2.713 106.031 108.800 -0.093 0.000 2.201 207 G HA2 -0.269 nan 3.960 nan 0.000 0.212 207 G HA3 -0.269 nan 3.960 nan 0.000 0.212 207 G C -0.696 174.173 174.900 -0.050 0.000 0.994 207 G CA -0.400 44.643 45.100 -0.095 0.000 0.644 207 G HN -0.209 7.793 8.290 -0.179 0.180 0.508 208 A N 0.817 123.639 122.820 0.003 0.000 2.351 208 A HA 0.062 nan 4.320 nan 0.000 0.257 208 A C -0.484 177.216 177.584 0.193 0.000 1.087 208 A CA -0.106 51.971 52.037 0.067 0.000 0.798 208 A CB 1.111 20.147 19.000 0.061 0.000 1.033 208 A HN -0.291 7.868 8.150 0.015 0.000 0.488 209 K N 0.908 121.424 120.400 0.193 0.000 2.218 209 K HA 0.084 nan 4.320 nan 0.000 0.276 209 K C -1.347 175.487 176.600 0.390 0.000 1.022 209 K CA -0.188 56.272 56.287 0.288 0.000 0.946 209 K CB 1.327 33.941 32.500 0.190 0.000 1.000 209 K HN 0.215 8.535 8.250 0.117 0.000 0.468 210 W N 2.339 123.752 121.300 0.189 0.000 2.683 210 W HA 0.440 nan 4.660 nan 0.000 0.329 210 W C -1.325 175.204 176.519 0.017 0.000 1.037 210 W CA -1.981 55.412 57.345 0.080 0.000 1.232 210 W CB 1.672 31.137 29.460 0.007 0.000 1.390 210 W HN -0.001 8.484 8.180 0.507 0.000 0.465 211 T N 8.991 123.721 114.554 0.294 0.000 2.916 211 T HA 0.414 nan 4.350 nan 0.000 0.298 211 T C -1.792 172.894 174.700 -0.023 0.000 1.031 211 T CA -0.117 62.004 62.100 0.034 0.000 0.993 211 T CB 3.393 72.322 68.868 0.103 0.000 1.045 211 T HN 0.488 9.025 8.240 0.494 0.000 0.454 212 T N 0.895 115.327 114.554 -0.204 0.000 2.815 212 T HA 0.631 nan 4.350 nan 0.000 0.289 212 T C -0.423 174.044 174.700 -0.387 0.000 1.000 212 T CA -2.506 59.432 62.100 -0.269 0.000 0.958 212 T CB 0.952 69.606 68.868 -0.356 0.000 0.944 212 T HN 0.216 8.302 8.240 -0.258 0.000 0.442 213 A N 7.354 129.842 122.820 -0.554 0.000 2.406 213 A HA 0.217 nan 4.320 nan 0.000 0.243 213 A C -2.172 174.906 177.584 -0.844 0.000 1.082 213 A CA -1.048 50.331 52.037 -1.097 0.000 0.786 213 A CB -0.756 17.521 19.000 -1.205 0.000 1.029 213 A HN 0.185 8.065 8.150 -0.450 0.000 0.495 214 P HA -0.066 nan 4.420 nan 0.000 0.258 214 P C -1.263 175.759 177.300 -0.465 0.000 1.187 214 P CA 0.374 63.151 63.100 -0.538 0.000 0.767 214 P CB 0.286 31.707 31.700 -0.464 0.000 0.770 215 K N 6.138 126.306 120.400 -0.388 0.000 2.412 215 K HA 0.119 nan 4.320 nan 0.000 0.284 215 K C -1.599 174.888 176.600 -0.188 0.000 1.046 215 K CA -0.848 55.218 56.287 -0.368 0.000 0.999 215 K CB -0.227 32.027 32.500 -0.410 0.000 0.941 215 K HN 0.052 8.086 8.250 -0.360 0.000 0.474 216 P HA 0.101 nan 4.420 nan 0.000 0.274 216 P C -0.740 176.695 177.300 0.225 0.000 1.256 216 P CA -1.009 62.100 63.100 0.015 0.000 0.795 216 P CB 1.469 33.175 31.700 0.011 0.000 1.038 217 T N -6.710 107.981 114.554 0.228 0.000 3.014 217 T HA 0.041 nan 4.350 nan 0.000 0.263 217 T C 1.237 176.174 174.700 0.394 0.000 1.078 217 T CA 0.259 62.544 62.100 0.308 0.000 1.135 217 T CB 0.649 69.680 68.868 0.271 0.000 0.895 217 T HN -0.053 8.786 8.240 0.162 -0.502 0.480 218 M N -1.840 117.936 119.600 0.293 0.000 2.653 218 M HA -0.540 nan 4.480 nan 0.000 0.203 218 M C -1.076 175.352 176.300 0.213 0.000 0.502 218 M CA 0.562 55.980 55.300 0.195 0.000 0.601 218 M CB -1.780 30.899 32.600 0.133 0.000 2.228 218 M HN -0.226 8.436 8.290 0.244 -0.227 0.711 219 A N -1.850 121.088 122.820 0.198 0.000 2.327 219 A HA -0.021 nan 4.320 nan 0.000 0.255 219 A C 0.841 178.424 177.584 -0.002 0.000 1.099 219 A CA -0.304 51.806 52.037 0.121 0.000 0.801 219 A CB 0.744 19.790 19.000 0.077 0.000 1.062 219 A HN -0.770 7.508 8.150 0.255 0.025 0.496 220 D N 0.811 121.209 120.400 -0.003 0.000 2.203 220 D HA -0.413 nan 4.640 nan 0.000 0.199 220 D C 2.032 178.236 176.300 -0.161 0.000 0.997 220 D CA 3.866 57.865 54.000 -0.001 0.000 0.863 220 D CB -0.435 40.349 40.800 -0.027 0.000 0.928 220 D HN 0.697 9.075 8.370 0.014 0.000 0.458 221 E N -2.015 117.928 120.200 -0.429 0.000 2.333 221 E HA -0.233 nan 4.350 nan 0.000 0.198 221 E C 1.170 177.419 176.600 -0.585 0.000 1.007 221 E CA 1.971 57.959 56.400 -0.687 0.000 0.845 221 E CB -0.758 28.101 29.700 -1.402 0.000 0.766 221 E HN 0.300 8.364 8.360 -0.445 0.029 0.507 222 L N -2.599 118.316 121.223 -0.512 0.000 2.418 222 L HA -0.106 nan 4.340 nan 0.000 0.218 222 L C -1.221 175.261 176.870 -0.647 0.000 1.125 222 L CA 0.502 55.064 54.840 -0.463 0.000 0.835 222 L CB 0.988 42.706 42.059 -0.569 0.000 0.953 222 L HN -0.174 7.602 8.230 -0.484 0.164 0.454 223 Y N -3.830 116.420 120.300 -0.083 0.000 2.409 223 Y HA 0.288 nan 4.550 nan 0.000 0.339 223 Y C -0.554 175.296 175.900 -0.083 0.000 1.033 223 Y CA -1.689 56.354 58.100 -0.095 0.000 1.094 223 Y CB 1.220 39.600 38.460 -0.133 0.000 1.210 223 Y HN -0.398 7.533 8.280 -0.325 0.154 0.456 224 N N 3.550 122.295 118.700 0.074 0.000 2.739 224 N HA -0.060 nan 4.740 nan 0.000 0.266 224 N C 0.634 176.184 175.510 0.068 0.000 1.168 224 N CA -0.349 52.737 53.050 0.061 0.000 1.055 224 N CB -0.408 38.124 38.487 0.074 0.000 1.393 224 N HN 0.628 8.939 8.380 0.069 0.111 0.514 225 Q N 3.446 123.271 119.800 0.042 0.000 2.368 225 Q HA -0.244 nan 4.340 nan 0.000 0.210 225 Q C 0.187 176.193 176.000 0.010 0.000 0.982 225 Q CA 2.497 58.304 55.803 0.007 0.000 0.884 225 Q CB 0.045 28.777 28.738 -0.010 0.000 0.933 225 Q HN -0.076 8.197 8.270 0.035 0.018 0.460 226 D N -2.700 117.725 120.400 0.040 0.000 2.559 226 D HA -0.058 nan 4.640 nan 0.000 0.234 226 D C -0.448 175.883 176.300 0.051 0.000 1.226 226 D CA -1.323 52.697 54.000 0.034 0.000 0.830 226 D CB -1.003 39.813 40.800 0.027 0.000 1.028 226 D HN -0.284 8.062 8.370 0.053 0.056 0.492 227 Y N 2.410 122.662 120.300 -0.080 0.000 2.497 227 Y HA -0.071 nan 4.550 nan 0.000 0.334 227 Y C -0.152 175.628 175.900 -0.201 0.000 1.199 227 Y CA -1.348 56.694 58.100 -0.097 0.000 1.425 227 Y CB 1.567 39.986 38.460 -0.069 0.000 1.291 227 Y HN -0.437 7.871 8.280 0.170 0.074 0.562 228 P HA 0.161 nan 4.420 nan 0.000 0.237 228 P C -0.955 175.890 177.300 -0.758 0.000 1.723 228 P CA -0.416 62.197 63.100 -0.812 0.000 0.882 228 P CB -2.020 29.380 31.700 -0.500 0.000 1.810 229 I N -4.012 116.293 120.570 -0.442 0.000 2.335 229 I HA -0.365 nan 4.170 nan 0.000 0.251 229 I C 1.326 177.524 176.117 0.136 0.000 1.129 229 I CA 2.699 63.974 61.300 -0.043 0.000 1.402 229 I CB -0.571 37.475 38.000 0.077 0.000 1.069 229 I HN -0.468 7.437 8.210 -0.336 0.103 0.424 230 H N -0.667 118.540 119.070 0.228 0.000 2.601 230 H HA -0.099 nan 4.556 nan 0.000 0.289 230 H C -0.404 174.981 175.328 0.094 0.000 1.102 230 H CA -2.021 54.197 56.048 0.284 0.000 1.214 230 H CB -1.913 27.955 29.762 0.177 0.000 1.306 230 H HN 0.056 8.052 8.280 -0.431 0.025 0.635 231 S N -2.430 113.417 115.700 0.246 0.000 3.092 231 S HA -0.400 nan 4.470 nan 0.000 0.857 231 S C -0.926 173.780 174.600 0.178 0.000 1.014 231 S CA 0.649 58.920 58.200 0.118 0.000 1.283 231 S CB 0.560 63.771 63.200 0.019 0.000 0.910 231 S HN 0.090 8.322 8.310 0.174 0.182 0.245 232 V N 3.925 123.884 119.914 0.075 0.000 3.558 232 V HA -0.035 nan 4.120 nan 0.000 0.269 232 V C -0.381 175.735 176.094 0.037 0.000 1.841 232 V CA 1.321 63.660 62.300 0.065 0.000 1.083 232 V CB 0.031 31.896 31.823 0.070 0.000 0.967 232 V HN 0.445 8.660 8.190 0.042 0.000 0.324 233 E N -3.049 117.171 120.200 0.034 0.000 3.991 233 E HA -0.363 nan 4.350 nan 0.000 0.331 233 E C 0.176 176.847 176.600 0.119 0.000 0.628 233 E CA 2.041 58.499 56.400 0.096 0.000 1.192 233 E CB -2.292 27.486 29.700 0.130 0.000 1.683 233 E HN 0.517 8.884 8.360 0.012 0.000 0.416 234 D N -2.581 117.842 120.400 0.038 0.000 2.390 234 D HA -0.196 nan 4.640 nan 0.000 0.235 234 D C 1.179 177.469 176.300 -0.016 0.000 1.040 234 D CA 1.470 55.486 54.000 0.026 0.000 0.923 234 D CB -0.854 39.943 40.800 -0.006 0.000 0.886 234 D HN -0.290 7.967 8.370 0.014 0.121 0.532 235 R N -0.115 120.353 120.500 -0.054 0.000 2.105 235 R HA -0.381 nan 4.340 nan 0.000 0.239 235 R C 1.940 178.202 176.300 -0.063 0.000 1.135 235 R CA 3.323 59.351 56.100 -0.120 0.000 0.967 235 R CB -0.945 29.297 30.300 -0.096 0.000 0.861 235 R HN -0.068 8.034 8.270 -0.030 0.150 0.442 236 H N -0.899 118.161 119.070 -0.017 0.000 2.353 236 H HA -0.274 nan 4.556 nan 0.000 0.298 236 H C 1.941 177.257 175.328 -0.020 0.000 1.103 236 H CA 4.112 60.167 56.048 0.012 0.000 1.293 236 H CB -0.175 29.606 29.762 0.032 0.000 1.372 236 H HN 0.023 8.269 8.280 0.134 0.114 0.501 237 K N -0.280 120.177 120.400 0.094 0.000 2.025 237 K HA -0.239 nan 4.320 nan 0.000 0.207 237 K C 2.358 178.941 176.600 -0.028 0.000 1.049 237 K CA 2.825 59.128 56.287 0.026 0.000 0.933 237 K CB -0.333 32.173 32.500 0.011 0.000 0.714 237 K HN -0.342 7.825 8.250 0.103 0.145 0.438 238 L N -0.999 120.180 121.223 -0.073 0.000 2.056 238 L HA -0.321 nan 4.340 nan 0.000 0.207 238 L C 2.280 178.995 176.870 -0.258 0.000 1.078 238 L CA 2.810 57.577 54.840 -0.121 0.000 0.749 238 L CB -0.318 41.680 42.059 -0.102 0.000 0.901 238 L HN -0.359 7.829 8.230 -0.069 0.000 0.433 239 A N -1.162 121.453 122.820 -0.342 0.000 1.978 239 A HA -0.311 nan 4.320 nan 0.000 0.220 239 A C 2.209 179.724 177.584 -0.114 0.000 1.170 239 A CA 3.053 54.794 52.037 -0.492 0.000 0.636 239 A CB -1.203 17.672 19.000 -0.208 0.000 0.810 239 A HN 0.822 8.720 8.150 -0.225 0.117 0.448 240 A N -2.022 120.787 122.820 -0.019 0.000 2.067 240 A HA -0.160 nan 4.320 nan 0.000 0.219 240 A C 1.105 178.698 177.584 0.016 0.000 1.158 240 A CA 2.296 54.351 52.037 0.029 0.000 0.661 240 A CB -0.372 18.643 19.000 0.024 0.000 0.801 240 A HN 0.264 8.163 8.150 -0.028 0.234 0.452 241 Q N -3.091 116.706 119.800 -0.006 0.000 2.280 241 Q HA 0.108 nan 4.340 nan 0.000 0.201 241 Q C 0.291 176.352 176.000 0.102 0.000 0.890 241 Q CA -1.030 54.789 55.803 0.027 0.000 0.947 241 Q CB 0.592 29.334 28.738 0.007 0.000 1.081 241 Q HN -0.381 7.665 8.270 -0.053 0.191 0.502 242 G N -0.944 107.938 108.800 0.136 0.000 2.179 242 G HA2 -0.440 nan 3.960 nan 0.000 0.257 242 G HA3 -0.440 nan 3.960 nan 0.000 0.257 242 G C -1.019 174.079 174.900 0.330 0.000 1.010 242 G CA 0.481 45.834 45.100 0.422 0.000 0.736 242 G HN -0.203 7.920 8.290 0.055 0.200 0.513 243 K N 0.604 120.946 120.400 -0.096 0.000 2.281 243 K HA 0.287 nan 4.320 nan 0.000 0.272 243 K C -1.205 175.215 176.600 -0.301 0.000 1.048 243 K CA -1.093 55.166 56.287 -0.047 0.000 0.898 243 K CB 0.632 33.133 32.500 0.002 0.000 1.128 243 K HN 0.056 8.030 8.250 -0.224 0.142 0.460 244 F N 1.291 121.284 119.950 0.071 0.000 2.914 244 F HA 0.443 nan 4.527 nan 0.000 0.379 244 F C 0.266 175.810 175.800 -0.427 0.000 1.324 244 F CA -0.850 57.103 58.000 -0.077 0.000 1.112 244 F CB 1.493 40.432 39.000 -0.102 0.000 1.574 244 F HN -0.433 8.094 8.300 0.378 0.000 0.483 245 V N -1.106 118.463 119.914 -0.575 0.000 2.809 245 V HA -0.102 nan 4.120 nan 0.000 0.256 245 V C -0.787 175.233 176.094 -0.124 0.000 1.080 245 V CA 1.318 63.250 62.300 -0.614 0.000 1.102 245 V CB 0.429 31.897 31.823 -0.590 0.000 0.705 245 V HN 0.217 8.527 8.190 -0.377 -0.346 0.475 246 T N -3.532 111.004 114.554 -0.029 0.000 2.799 246 T HA 0.474 nan 4.350 nan 0.000 0.286 246 T C -0.042 174.668 174.700 0.017 0.000 0.973 246 T CA -2.431 59.661 62.100 -0.012 0.000 1.035 246 T CB 1.156 70.020 68.868 -0.008 0.000 0.932 246 T HN -0.341 7.863 8.240 -0.017 0.025 0.469 247 T N 1.560 116.111 114.554 -0.004 0.000 2.793 247 T HA 0.176 nan 4.350 nan 0.000 0.299 247 T C 0.025 174.781 174.700 0.094 0.000 1.038 247 T CA -1.049 61.087 62.100 0.060 0.000 0.948 247 T CB 0.836 69.734 68.868 0.050 0.000 1.231 247 T HN 0.844 8.919 8.240 -0.078 0.118 0.538 248 E N -0.894 119.386 120.200 0.134 0.000 2.496 248 E HA 0.228 nan 4.350 nan 0.000 0.202 248 E C -0.681 176.006 176.600 0.145 0.000 1.021 248 E CA -0.496 55.988 56.400 0.140 0.000 1.015 248 E CB -1.293 28.501 29.700 0.157 0.000 1.102 248 E HN 0.016 8.458 8.360 0.137 0.000 0.452 249 F N 1.584 121.529 119.950 -0.008 0.000 2.161 249 F HA -0.324 nan 4.527 nan 0.000 0.300 249 F C -0.771 175.023 175.800 -0.009 0.000 1.089 249 F CA 2.504 60.493 58.000 -0.018 0.000 1.282 249 F CB 1.084 40.050 39.000 -0.057 0.000 1.010 249 F HN -0.400 7.957 8.300 0.254 0.095 0.485 250 E N -4.788 115.317 120.200 -0.159 0.000 2.401 250 E HA 0.192 nan 4.350 nan 0.000 0.280 250 E C -2.802 173.758 176.600 -0.067 0.000 1.039 250 E CA -3.431 52.822 56.400 -0.245 0.000 0.814 250 E CB 1.007 30.477 29.700 -0.383 0.000 1.275 250 E HN -0.711 7.672 8.360 0.039 0.000 0.448 251 P HA 0.095 nan 4.420 nan 0.000 0.268 251 P C -1.266 176.025 177.300 -0.015 0.000 1.204 251 P CA -0.124 62.992 63.100 0.025 0.000 0.768 251 P CB 0.127 31.833 31.700 0.010 0.000 0.842 252 C N 1.667 121.014 119.300 0.079 0.000 3.171 252 C HA 0.673 nan 4.460 nan 0.000 0.336 252 C C -2.398 172.723 174.990 0.220 0.000 1.198 252 C CA -1.933 57.094 59.018 0.014 0.000 1.319 252 C CB 3.297 31.037 27.740 0.000 0.000 1.682 252 C HN -0.072 8.463 8.230 0.168 -0.204 0.497 253 F N -3.330 116.626 119.950 0.010 0.000 2.829 253 F HA 0.391 nan 4.527 nan 0.000 0.319 253 F C -3.453 172.390 175.800 0.072 0.000 1.153 253 F CA -0.577 57.472 58.000 0.080 0.000 0.912 253 F CB 1.042 40.175 39.000 0.222 0.000 1.292 253 F HN -0.282 7.890 8.300 -0.214 0.000 0.447 254 D N 0.816 121.473 120.400 0.427 0.000 2.256 254 D HA 0.480 nan 4.640 nan 0.000 0.246 254 D C 0.520 177.103 176.300 0.472 0.000 1.042 254 D CA -1.710 52.452 54.000 0.270 0.000 0.841 254 D CB 2.270 43.230 40.800 0.267 0.000 1.223 254 D HN -0.028 8.626 8.370 0.472 0.000 0.470 255 A N 4.071 127.069 122.820 0.296 0.000 2.019 255 A HA -0.176 nan 4.320 nan 0.000 0.219 255 A C 1.058 178.833 177.584 0.318 0.000 1.164 255 A CA 3.218 55.456 52.037 0.335 0.000 0.644 255 A CB -0.059 19.006 19.000 0.109 0.000 0.805 255 A HN 0.450 8.666 8.150 0.110 0.000 0.449 256 A N -3.447 119.419 122.820 0.078 0.000 2.248 256 A HA -0.180 nan 4.320 nan 0.000 0.210 256 A C 0.726 178.406 177.584 0.161 0.000 1.174 256 A CA 1.916 53.944 52.037 -0.015 0.000 0.750 256 A CB -0.691 17.990 19.000 -0.531 0.000 0.780 256 A HN -0.120 7.970 8.150 -0.045 0.033 0.478 257 D N -2.524 118.017 120.400 0.235 0.000 2.339 257 D HA 0.160 nan 4.640 nan 0.000 0.217 257 D C -1.112 175.084 176.300 -0.173 0.000 1.050 257 D CA 1.278 55.302 54.000 0.039 0.000 0.856 257 D CB 0.653 41.406 40.800 -0.077 0.000 0.922 257 D HN -0.503 8.004 8.370 0.357 0.077 0.518 258 F N -1.949 118.085 119.950 0.139 0.000 2.495 258 F HA 0.468 nan 4.527 nan 0.000 0.327 258 F C -0.677 175.254 175.800 0.218 0.000 1.103 258 F CA -0.852 57.241 58.000 0.155 0.000 0.949 258 F CB 2.750 41.794 39.000 0.073 0.000 1.142 258 F HN -0.483 7.896 8.300 0.440 0.186 0.457 259 I N 3.343 124.182 120.570 0.449 0.000 2.499 259 I HA 0.328 nan 4.170 nan 0.000 0.288 259 I C -2.240 174.174 176.117 0.494 0.000 1.048 259 I CA -1.430 60.134 61.300 0.441 0.000 1.062 259 I CB 4.254 42.508 38.000 0.424 0.000 1.238 259 I HN 0.701 9.194 8.210 0.471 0.000 0.426 260 R N 7.924 128.658 120.500 0.390 0.000 2.410 260 R HA 0.551 nan 4.340 nan 0.000 0.288 260 R C -1.438 175.120 176.300 0.430 0.000 1.051 260 R CA -0.974 55.346 56.100 0.366 0.000 1.021 260 R CB 1.130 31.553 30.300 0.205 0.000 1.032 260 R HN 0.364 9.137 8.270 0.331 -0.304 0.481 261 A N 1.955 125.106 122.820 0.551 0.000 3.415 261 A HA 0.310 nan 4.320 nan 0.000 0.244 261 A C -0.539 177.505 177.584 0.768 0.000 0.988 261 A CA -0.938 51.551 52.037 0.753 0.000 0.991 261 A CB 0.271 19.935 19.000 1.107 0.000 1.240 261 A HN 0.196 8.658 8.150 0.521 0.000 0.541 262 G N 3.407 112.536 108.800 0.548 0.000 2.543 262 G HA2 -0.449 nan 3.960 nan 0.000 0.286 262 G HA3 -0.449 nan 3.960 nan 0.000 0.286 262 G C -0.021 175.129 174.900 0.417 0.000 1.153 262 G CA 0.600 45.981 45.100 0.468 0.000 0.968 262 G HN 0.381 8.898 8.290 0.378 0.000 0.544 263 R N 2.430 123.060 120.500 0.216 0.000 2.316 263 R HA -0.080 nan 4.340 nan 0.000 0.202 263 R C -1.008 175.436 176.300 0.240 0.000 1.029 263 R CA 1.786 57.949 56.100 0.106 0.000 1.018 263 R CB 0.570 30.831 30.300 -0.065 0.000 0.888 263 R HN -0.083 8.260 8.270 0.121 0.000 0.471 264 D N -1.552 119.049 120.400 0.335 0.000 2.391 264 D HA 0.574 nan 4.640 nan 0.000 0.245 264 D C -1.852 174.556 176.300 0.181 0.000 1.069 264 D CA -0.023 54.130 54.000 0.257 0.000 0.831 264 D CB 2.741 43.688 40.800 0.244 0.000 1.204 264 D HN -0.776 7.783 8.370 0.414 0.060 0.503 265 I N 1.368 121.961 120.570 0.038 0.000 2.474 265 I HA 0.650 nan 4.170 nan 0.000 0.294 265 I C -1.638 174.429 176.117 -0.084 0.000 1.005 265 I CA -0.969 60.409 61.300 0.130 0.000 1.113 265 I CB 3.411 41.535 38.000 0.207 0.000 1.289 265 I HN 0.780 9.009 8.210 0.032 0.000 0.436 266 F N 5.226 125.420 119.950 0.406 0.000 2.469 266 F HA 0.816 nan 4.527 nan 0.000 0.332 266 F C -1.649 174.245 175.800 0.157 0.000 1.103 266 F CA -1.832 56.355 58.000 0.312 0.000 0.979 266 F CB 2.825 42.020 39.000 0.324 0.000 1.137 266 F HN 0.156 8.804 8.300 0.580 0.000 0.463 267 A N 1.866 124.767 122.820 0.136 0.000 2.479 267 A HA 0.927 nan 4.320 nan 0.000 0.296 267 A C -2.813 174.702 177.584 -0.114 0.000 1.121 267 A CA -1.879 50.007 52.037 -0.252 0.000 0.743 267 A CB 3.861 22.492 19.000 -0.615 0.000 1.323 267 A HN 1.141 9.305 8.150 0.194 0.104 0.415 268 Q N -0.470 119.210 119.800 -0.200 0.000 2.337 268 Q HA 0.386 nan 4.340 nan 0.000 0.270 268 Q C -1.624 174.253 176.000 -0.205 0.000 1.043 268 Q CA -1.381 54.382 55.803 -0.067 0.000 0.794 268 Q CB 3.532 32.344 28.738 0.124 0.000 1.281 268 Q HN -0.177 7.861 8.270 -0.387 0.000 0.446 269 R N 7.707 128.071 120.500 -0.226 0.000 2.316 269 R HA 0.073 nan 4.340 nan 0.000 0.314 269 R C -1.007 174.933 176.300 -0.601 0.000 1.069 269 R CA -0.337 55.485 56.100 -0.463 0.000 0.959 269 R CB -0.351 29.551 30.300 -0.662 0.000 0.987 269 R HN 0.410 8.615 8.270 -0.109 0.000 0.446 270 S N 4.629 119.916 115.700 -0.688 0.000 2.900 270 S HA 0.399 nan 4.470 nan 0.000 0.320 270 S C 0.763 174.844 174.600 -0.866 0.000 1.130 270 S CA -1.202 56.506 58.200 -0.820 0.000 0.863 270 S CB 3.077 66.076 63.200 -0.335 0.000 1.295 270 S HN 0.335 8.230 8.310 -0.519 0.104 0.596 271 Q N -1.240 118.276 119.800 -0.474 0.000 2.170 271 Q HA -0.077 nan 4.340 nan 0.000 0.203 271 Q C 1.624 177.578 176.000 -0.077 0.000 0.976 271 Q CA 2.759 58.455 55.803 -0.178 0.000 0.858 271 Q CB 0.311 29.054 28.738 0.008 0.000 0.907 271 Q HN 0.264 8.334 8.270 -0.334 0.000 0.433 272 V N -11.003 108.869 119.914 -0.070 0.000 3.528 272 V HA 0.284 nan 4.120 nan 0.000 0.294 272 V C -0.141 175.974 176.094 0.036 0.000 1.404 272 V CA -1.015 61.306 62.300 0.035 0.000 1.065 272 V CB 0.198 32.045 31.823 0.041 0.000 0.904 272 V HN -0.762 7.319 8.190 -0.135 0.027 0.435 273 T N 5.536 120.060 114.554 -0.050 0.000 2.864 273 T HA 0.356 nan 4.350 nan 0.000 0.299 273 T C -1.520 173.096 174.700 -0.140 0.000 1.011 273 T CA -0.207 61.900 62.100 0.011 0.000 0.975 273 T CB 1.131 70.003 68.868 0.008 0.000 0.962 273 T HN -0.652 7.373 8.240 -0.169 0.114 0.448 274 N N 7.174 125.843 118.700 -0.053 0.000 2.448 274 N HA 0.390 nan 4.740 nan 0.000 0.274 274 N C 0.504 175.951 175.510 -0.104 0.000 1.239 274 N CA -2.470 50.502 53.050 -0.130 0.000 0.982 274 N CB 0.941 39.428 38.487 -0.000 0.000 1.199 274 N HN -0.263 8.154 8.380 0.062 0.000 0.576 275 Y N -2.282 118.067 120.300 0.082 0.000 2.352 275 Y HA -0.210 nan 4.550 nan 0.000 0.292 275 Y C 2.336 178.295 175.900 0.099 0.000 1.136 275 Y CA 3.754 61.901 58.100 0.079 0.000 1.227 275 Y CB 0.015 38.518 38.460 0.073 0.000 0.991 275 Y HN 0.103 8.740 8.280 -0.048 -0.386 0.545 276 L N -0.641 120.727 121.223 0.242 0.000 2.017 276 L HA -0.473 nan 4.340 nan 0.000 0.208 276 L C 2.297 179.318 176.870 0.251 0.000 1.073 276 L CA 2.881 57.844 54.840 0.205 0.000 0.745 276 L CB -0.501 41.646 42.059 0.147 0.000 0.894 276 L HN -0.117 8.464 8.230 0.221 -0.218 0.432 277 G N -1.448 107.509 108.800 0.261 0.000 2.418 277 G HA2 -0.372 nan 3.960 nan 0.000 0.217 277 G HA3 -0.372 nan 3.960 nan 0.000 0.217 277 G C 1.193 176.250 174.900 0.261 0.000 1.158 277 G CA 2.163 47.503 45.100 0.401 0.000 0.771 277 G HN 0.088 8.848 8.290 0.209 -0.345 0.545 278 I N 1.637 122.325 120.570 0.196 0.000 2.226 278 I HA -0.535 nan 4.170 nan 0.000 0.245 278 I C 1.366 177.590 176.117 0.179 0.000 1.100 278 I CA 3.756 65.172 61.300 0.194 0.000 1.374 278 I CB -0.084 37.993 38.000 0.129 0.000 1.057 278 I HN -0.277 8.038 8.210 0.174 0.000 0.413 279 E N 0.321 120.633 120.200 0.187 0.000 2.150 279 E HA -0.297 nan 4.350 nan 0.000 0.193 279 E C 1.811 178.481 176.600 0.117 0.000 0.985 279 E CA 2.766 59.245 56.400 0.131 0.000 0.814 279 E CB -0.637 29.140 29.700 0.129 0.000 0.752 279 E HN -0.123 8.366 8.360 0.214 0.000 0.466 280 W N 0.599 121.935 121.300 0.060 0.000 2.358 280 W HA -0.333 nan 4.660 nan 0.000 0.303 280 W C 2.050 178.593 176.519 0.040 0.000 1.208 280 W CA 4.114 61.497 57.345 0.062 0.000 1.274 280 W CB 0.143 29.668 29.460 0.108 0.000 1.138 280 W HN -0.023 8.285 8.180 0.376 0.098 0.515 281 M N -1.633 118.056 119.600 0.148 0.000 2.067 281 M HA -0.479 nan 4.480 nan 0.000 0.260 281 M C 2.325 178.559 176.300 -0.110 0.000 1.069 281 M CA 2.740 58.007 55.300 -0.055 0.000 1.117 281 M CB -1.098 31.363 32.600 -0.232 0.000 1.334 281 M HN -0.488 7.877 8.290 0.244 0.071 0.407 282 R N -1.084 119.390 120.500 -0.043 0.000 2.096 282 R HA -0.427 nan 4.340 nan 0.000 0.240 282 R C 2.223 178.454 176.300 -0.116 0.000 1.139 282 R CA 3.911 59.976 56.100 -0.058 0.000 0.952 282 R CB -0.064 30.219 30.300 -0.028 0.000 0.854 282 R HN 0.236 8.518 8.270 0.020 0.000 0.436 283 R N -2.847 117.557 120.500 -0.159 0.000 2.092 283 R HA -0.238 nan 4.340 nan 0.000 0.231 283 R C 2.040 178.173 176.300 -0.279 0.000 1.119 283 R CA 2.711 58.691 56.100 -0.199 0.000 0.970 283 R CB -0.171 30.011 30.300 -0.197 0.000 0.864 283 R HN -0.108 8.077 8.270 -0.142 0.000 0.440 284 H N -1.509 117.238 119.070 -0.538 0.000 2.428 284 H HA -0.150 nan 4.556 nan 0.000 0.296 284 H C 1.115 176.268 175.328 -0.292 0.000 1.062 284 H CA 2.644 58.345 56.048 -0.578 0.000 1.350 284 H CB 0.905 30.019 29.762 -1.080 0.000 1.403 284 H HN -0.260 7.671 8.280 -0.452 0.077 0.533 285 L N -3.149 117.910 121.223 -0.273 0.000 2.463 285 L HA 0.049 nan 4.340 nan 0.000 0.219 285 L C -0.329 176.522 176.870 -0.031 0.000 1.088 285 L CA -0.002 54.753 54.840 -0.142 0.000 0.849 285 L CB 0.767 42.803 42.059 -0.037 0.000 1.012 285 L HN -0.340 7.772 8.230 -0.196 0.000 0.468 286 A N 0.861 123.631 122.820 -0.084 0.000 2.466 286 A HA 0.001 nan 4.320 nan 0.000 0.238 286 A C -1.458 176.076 177.584 -0.083 0.000 1.074 286 A CA -0.177 51.818 52.037 -0.069 0.000 0.774 286 A CB -0.970 17.977 19.000 -0.087 0.000 1.015 286 A HN -0.547 7.528 8.150 -0.125 0.000 0.498 287 P HA 0.147 nan 4.420 nan 0.000 0.251 287 P C -0.079 177.162 177.300 -0.099 0.000 1.223 287 P CA 0.448 63.502 63.100 -0.076 0.000 0.796 287 P CB 0.947 32.603 31.700 -0.074 0.000 1.068 288 D N -1.518 118.816 120.400 -0.111 0.000 2.178 288 D HA -0.150 nan 4.640 nan 0.000 0.201 288 D C -0.293 175.702 176.300 -0.508 0.000 0.980 288 D CA 3.010 56.838 54.000 -0.288 0.000 0.842 288 D CB 0.797 41.421 40.800 -0.292 0.000 0.948 288 D HN 0.034 8.314 8.370 -0.062 0.053 0.472 289 Y N -3.040 117.232 120.300 -0.046 0.000 2.446 289 Y HA 0.297 nan 4.550 nan 0.000 0.345 289 Y C -1.011 174.841 175.900 -0.080 0.000 0.984 289 Y CA -1.136 56.945 58.100 -0.032 0.000 1.058 289 Y CB 2.808 41.262 38.460 -0.009 0.000 1.220 289 Y HN -0.820 7.522 8.280 0.103 0.000 0.455 290 R N 1.964 122.484 120.500 0.033 0.000 2.343 290 R HA 0.382 nan 4.340 nan 0.000 0.320 290 R C -1.833 174.288 176.300 -0.298 0.000 0.956 290 R CA -1.092 54.898 56.100 -0.183 0.000 0.836 290 R CB 1.680 31.832 30.300 -0.247 0.000 1.151 290 R HN 0.848 9.175 8.270 0.094 0.000 0.450 291 V N 4.232 123.974 119.914 -0.286 0.000 2.350 291 V HA 0.343 nan 4.120 nan 0.000 0.276 291 V C -0.649 175.254 176.094 -0.318 0.000 1.028 291 V CA -0.869 61.327 62.300 -0.174 0.000 0.860 291 V CB -0.039 31.790 31.823 0.011 0.000 0.990 291 V HN 0.447 8.499 8.190 -0.230 0.000 0.453 292 H N 6.304 125.295 119.070 -0.131 0.000 2.499 292 H HA 0.367 nan 4.556 nan 0.000 0.340 292 H C -1.093 174.262 175.328 0.044 0.000 1.148 292 H CA -1.913 54.100 56.048 -0.060 0.000 1.215 292 H CB 3.171 32.876 29.762 -0.094 0.000 1.529 292 H HN 0.927 9.054 8.280 -0.075 0.108 0.510 293 I N 2.519 123.191 120.570 0.171 0.000 2.359 293 I HA 0.542 nan 4.170 nan 0.000 0.294 293 I C -0.609 175.575 176.117 0.111 0.000 0.987 293 I CA -0.478 60.900 61.300 0.130 0.000 1.225 293 I CB 1.212 39.297 38.000 0.140 0.000 1.366 293 I HN 0.268 8.567 8.210 0.148 0.000 0.466 294 I N 2.706 123.302 120.570 0.042 0.000 2.934 294 I HA 0.696 nan 4.170 nan 0.000 0.306 294 I C -2.430 173.488 176.117 -0.332 0.000 1.110 294 I CA -2.256 58.959 61.300 -0.142 0.000 1.019 294 I CB 3.282 41.157 38.000 -0.208 0.000 1.227 294 I HN 0.816 9.057 8.210 0.052 0.000 0.434 295 S N -0.734 114.649 115.700 -0.528 0.000 2.632 295 S HA 0.451 nan 4.470 nan 0.000 0.289 295 S C -1.578 172.371 174.600 -1.085 0.000 1.115 295 S CA -1.620 56.289 58.200 -0.485 0.000 0.889 295 S CB 3.155 66.434 63.200 0.131 0.000 1.116 295 S HN 0.135 8.325 8.310 -0.450 -0.150 0.486 296 F N -2.625 117.219 119.950 -0.176 0.000 2.664 296 F HA 0.414 nan 4.527 nan 0.000 0.317 296 F C -0.814 174.834 175.800 -0.255 0.000 1.108 296 F CA -1.099 56.680 58.000 -0.368 0.000 0.957 296 F CB 4.415 43.323 39.000 -0.154 0.000 1.365 296 F HN -0.080 8.236 8.300 0.026 0.000 0.475 297 K N 2.222 122.626 120.400 0.006 0.000 2.220 297 K HA -0.177 nan 4.320 nan 0.000 0.283 297 K C -1.346 175.389 176.600 0.226 0.000 1.098 297 K CA 0.334 56.738 56.287 0.195 0.000 0.928 297 K CB -0.203 32.407 32.500 0.185 0.000 1.214 297 K HN 0.095 8.335 8.250 -0.017 0.000 0.442 298 D N 4.683 125.208 120.400 0.209 0.000 2.738 298 D HA 0.224 nan 4.640 nan 0.000 0.218 298 D C -1.420 174.869 176.300 -0.018 0.000 1.345 298 D CA -2.765 51.300 54.000 0.108 0.000 0.943 298 D CB 2.761 43.647 40.800 0.143 0.000 1.514 298 D HN -0.534 7.982 8.370 0.243 0.000 0.585 299 P HA -0.062 nan 4.420 nan 0.000 0.231 299 P C -0.920 176.390 177.300 0.017 0.000 1.168 299 P CA 0.811 63.724 63.100 -0.312 0.000 0.779 299 P CB 0.800 32.181 31.700 -0.532 0.000 0.844 300 N N -0.658 118.086 118.700 0.073 0.000 2.703 300 N HA 0.266 nan 4.740 nan 0.000 0.283 300 N C -2.808 172.781 175.510 0.131 0.000 1.851 300 N CA -2.710 50.423 53.050 0.138 0.000 0.826 300 N CB 0.638 39.183 38.487 0.097 0.000 1.239 300 N HN -0.388 8.248 8.380 0.045 -0.230 0.495 301 P HA 0.067 nan 4.420 nan 0.000 0.279 301 P C -1.854 175.424 177.300 -0.037 0.000 1.239 301 P CA -0.287 62.845 63.100 0.053 0.000 0.789 301 P CB 1.202 32.939 31.700 0.062 0.000 0.933 302 M N 4.034 123.585 119.600 -0.083 0.000 2.380 302 M HA 0.015 nan 4.480 nan 0.000 0.202 302 M C -2.243 173.866 176.300 -0.318 0.000 0.975 302 M CA 0.588 55.724 55.300 -0.274 0.000 0.971 302 M CB 1.031 33.441 32.600 -0.318 0.000 2.685 302 M HN -0.019 8.249 8.290 -0.036 0.000 0.431 303 H N -0.619 118.449 119.070 -0.004 0.000 4.932 303 H HA -0.142 nan 4.556 nan 0.000 0.318 303 H C -1.442 173.894 175.328 0.014 0.000 0.672 303 H CA 0.010 56.071 56.048 0.021 0.000 0.810 303 H CB -0.413 29.371 29.762 0.037 0.000 1.235 303 H HN 0.089 8.696 8.280 0.001 -0.327 0.336 304 I N 1.140 121.811 120.570 0.169 0.000 3.854 304 I HA 0.066 nan 4.170 nan 0.000 0.312 304 I C -0.229 175.925 176.117 0.061 0.000 1.273 304 I CA -0.171 61.171 61.300 0.069 0.000 1.298 304 I CB 1.830 39.907 38.000 0.128 0.000 1.071 304 I HN 0.517 8.851 8.210 0.207 0.000 0.428 305 D N 1.336 121.816 120.400 0.134 0.000 2.392 305 D HA -0.213 nan 4.640 nan 0.000 0.228 305 D C -0.702 175.638 176.300 0.066 0.000 1.003 305 D CA 1.310 55.370 54.000 0.100 0.000 0.917 305 D CB -1.117 39.822 40.800 0.231 0.000 0.890 305 D HN -0.326 8.157 8.370 0.187 0.000 0.532 306 A N -4.922 117.935 122.820 0.061 0.000 2.606 306 A HA 0.279 nan 4.320 nan 0.000 0.290 306 A C -0.364 177.180 177.584 -0.068 0.000 1.174 306 A CA -0.152 51.926 52.037 0.069 0.000 0.958 306 A CB 0.784 19.878 19.000 0.156 0.000 1.194 306 A HN -0.188 7.926 8.150 0.058 0.071 0.526 307 T N -0.356 114.101 114.554 -0.161 0.000 3.177 307 T HA 0.272 nan 4.350 nan 0.000 0.262 307 T C -1.417 173.111 174.700 -0.288 0.000 0.959 307 T CA 1.645 63.532 62.100 -0.354 0.000 0.996 307 T CB 3.020 71.527 68.868 -0.601 0.000 1.185 307 T HN -0.151 7.860 8.240 -0.103 0.167 0.486 308 F N 2.406 122.134 119.950 -0.370 0.000 3.090 308 F HA 0.356 nan 4.527 nan 0.000 0.381 308 F C -2.808 172.915 175.800 -0.129 0.000 1.231 308 F CA -0.692 57.163 58.000 -0.241 0.000 1.177 308 F CB 2.083 40.976 39.000 -0.179 0.000 1.598 308 F HN 0.050 8.299 8.300 -0.085 0.000 0.589 309 N N 6.948 125.515 118.700 -0.222 0.000 2.457 309 N HA 0.322 nan 4.740 nan 0.000 0.250 309 N C -1.184 174.184 175.510 -0.237 0.000 0.982 309 N CA -1.513 51.433 53.050 -0.174 0.000 0.941 309 N CB 2.496 40.902 38.487 -0.135 0.000 1.120 309 N HN 0.124 8.341 8.380 -0.271 0.000 0.505 310 I N 6.074 126.567 120.570 -0.128 0.000 2.379 310 I HA -0.095 nan 4.170 nan 0.000 0.290 310 I C -0.295 175.823 176.117 0.001 0.000 1.063 310 I CA 1.053 62.294 61.300 -0.098 0.000 1.351 310 I CB 0.038 38.135 38.000 0.160 0.000 1.410 310 I HN 0.560 8.760 8.210 -0.018 0.000 0.505 311 I N 0.757 121.240 120.570 -0.146 0.000 4.018 311 I HA 0.377 nan 4.170 nan 0.000 0.337 311 I C -0.396 175.577 176.117 -0.241 0.000 1.327 311 I CA -0.640 60.616 61.300 -0.072 0.000 1.100 311 I CB 1.371 39.356 38.000 -0.025 0.000 1.025 311 I HN 0.049 8.095 8.210 -0.274 0.000 0.396 312 G N -0.128 108.207 108.800 -0.775 0.000 2.451 312 G HA2 0.179 nan 3.960 nan 0.000 0.292 312 G HA3 0.179 nan 3.960 nan 0.000 0.292 312 G C -3.504 170.103 174.900 -2.155 0.000 1.427 312 G CA -0.389 43.848 45.100 -1.438 0.000 0.792 312 G HN -0.752 7.055 8.290 -0.806 0.000 0.498 313 P HA -0.039 nan 4.420 nan 0.000 0.264 313 P C -0.296 176.354 177.300 -1.083 0.000 1.236 313 P CA 0.541 62.743 63.100 -1.497 0.000 0.811 313 P CB -0.749 30.480 31.700 -0.785 0.000 0.840 314 G N 3.457 111.399 108.800 -1.431 0.000 2.136 314 G HA2 -0.445 nan 3.960 nan 0.000 0.242 314 G HA3 -0.445 nan 3.960 nan 0.000 0.242 314 G C -1.558 172.699 174.900 -1.072 0.000 0.989 314 G CA 0.271 44.368 45.100 -1.672 0.000 0.682 314 G HN 0.228 7.544 8.290 -1.622 0.000 0.522 315 I N -1.452 118.557 120.570 -0.936 0.000 2.498 315 I HA 0.792 nan 4.170 nan 0.000 0.290 315 I C -2.375 173.432 176.117 -0.517 0.000 1.032 315 I CA -0.918 60.050 61.300 -0.553 0.000 1.073 315 I CB 2.661 40.392 38.000 -0.448 0.000 1.251 315 I HN -0.485 6.917 8.210 -1.130 0.130 0.426 316 V N 6.439 126.116 119.914 -0.395 0.000 2.971 316 V HA 0.712 nan 4.120 nan 0.000 0.309 316 V C -2.530 173.317 176.094 -0.412 0.000 1.130 316 V CA -2.156 59.851 62.300 -0.488 0.000 0.964 316 V CB 4.583 35.930 31.823 -0.792 0.000 1.029 316 V HN 0.468 8.474 8.190 -0.307 0.000 0.427 317 L N 7.408 128.397 121.223 -0.389 0.000 2.264 317 L HA 0.729 nan 4.340 nan 0.000 0.289 317 L C -1.675 174.998 176.870 -0.328 0.000 1.044 317 L CA -1.416 53.260 54.840 -0.274 0.000 0.807 317 L CB 0.386 42.351 42.059 -0.157 0.000 1.192 317 L HN 0.696 8.578 8.230 -0.405 0.105 0.425 318 S N 4.864 120.417 115.700 -0.245 0.000 2.456 318 S HA 0.191 nan 4.470 nan 0.000 0.316 318 S C -1.276 173.197 174.600 -0.212 0.000 1.089 318 S CA -1.483 56.617 58.200 -0.167 0.000 1.101 318 S CB 1.281 64.454 63.200 -0.044 0.000 0.995 318 S HN 0.338 8.525 8.310 -0.205 0.000 0.468 319 N N 8.898 127.409 118.700 -0.315 0.000 2.434 319 N HA 0.065 nan 4.740 nan 0.000 0.268 319 N C 0.053 175.303 175.510 -0.433 0.000 1.256 319 N CA -1.654 51.039 53.050 -0.595 0.000 0.914 319 N CB 0.532 38.568 38.487 -0.752 0.000 1.088 319 N HN 0.262 8.476 8.380 -0.276 0.000 0.478 320 P HA -0.174 nan 4.420 nan 0.000 0.218 320 P C -0.281 176.960 177.300 -0.099 0.000 1.146 320 P CA 2.152 65.164 63.100 -0.148 0.000 0.813 320 P CB 0.126 31.808 31.700 -0.031 0.000 0.778 321 D N -2.327 117.963 120.400 -0.183 0.000 2.323 321 D HA 0.023 nan 4.640 nan 0.000 0.209 321 D C -0.103 176.174 176.300 -0.038 0.000 0.973 321 D CA 1.087 55.063 54.000 -0.040 0.000 0.874 321 D CB 0.351 41.179 40.800 0.046 0.000 0.930 321 D HN 0.128 8.527 8.370 -0.435 -0.289 0.521 322 R N -0.898 119.530 120.500 -0.121 0.000 2.651 322 R HA 0.454 nan 4.340 nan 0.000 0.282 322 R C -2.523 173.800 176.300 0.038 0.000 1.565 322 R CA -2.871 53.206 56.100 -0.038 0.000 1.661 322 R CB 0.832 31.052 30.300 -0.134 0.000 1.189 322 R HN -0.369 7.711 8.270 -0.233 0.051 0.621 323 P HA -0.049 nan 4.420 nan 0.000 0.268 323 P C -1.431 175.911 177.300 0.069 0.000 1.205 323 P CA -0.519 62.626 63.100 0.076 0.000 0.771 323 P CB 0.745 32.472 31.700 0.045 0.000 0.858 324 C N 3.543 122.911 119.300 0.112 0.000 2.415 324 C HA 0.225 nan 4.460 nan 0.000 0.369 324 C C 1.943 176.840 174.990 -0.155 0.000 1.279 324 C CA -1.294 57.649 59.018 -0.124 0.000 1.886 324 C CB 0.114 27.827 27.740 -0.046 0.000 2.468 324 C HN 0.553 8.880 8.230 0.161 0.000 0.553 325 H N 7.588 126.575 119.070 -0.138 0.000 2.456 325 H HA -0.288 nan 4.556 nan 0.000 0.296 325 H C 1.067 176.355 175.328 -0.065 0.000 1.079 325 H CA 2.362 58.365 56.048 -0.075 0.000 1.322 325 H CB 0.095 29.806 29.762 -0.085 0.000 1.388 325 H HN 0.650 8.430 8.280 -0.653 0.108 0.538 326 Q N -2.769 117.034 119.800 0.006 0.000 2.225 326 Q HA 0.147 nan 4.340 nan 0.000 0.259 326 Q C 0.364 176.402 176.000 0.063 0.000 0.872 326 Q CA -1.106 54.690 55.803 -0.012 0.000 1.042 326 Q CB -0.913 27.776 28.738 -0.082 0.000 1.142 326 Q HN -0.597 7.582 8.270 -0.101 0.030 0.463 327 I N 1.817 122.468 120.570 0.135 0.000 2.423 327 I HA -0.485 nan 4.170 nan 0.000 0.254 327 I C -0.025 176.208 176.117 0.194 0.000 1.151 327 I CA 2.281 63.741 61.300 0.267 0.000 1.421 327 I CB 0.242 38.353 38.000 0.185 0.000 1.079 327 I HN -0.637 7.551 8.210 0.089 0.075 0.431 328 D N -0.705 119.734 120.400 0.064 0.000 2.218 328 D HA -0.274 nan 4.640 nan 0.000 0.204 328 D C 2.155 178.409 176.300 -0.076 0.000 0.976 328 D CA 3.802 57.808 54.000 0.010 0.000 0.853 328 D CB -0.211 40.586 40.800 -0.005 0.000 0.939 328 D HN 0.109 8.483 8.370 0.051 0.026 0.481 329 L N -0.356 120.741 121.223 -0.210 0.000 2.083 329 L HA -0.280 nan 4.340 nan 0.000 0.209 329 L C 1.328 177.877 176.870 -0.535 0.000 1.083 329 L CA 3.229 57.811 54.840 -0.430 0.000 0.752 329 L CB -0.222 41.430 42.059 -0.678 0.000 0.899 329 L HN -0.542 7.556 8.230 -0.180 0.024 0.433 330 F N -2.723 117.095 119.950 -0.221 0.000 2.234 330 F HA -0.286 nan 4.527 nan 0.000 0.296 330 F C 1.892 177.638 175.800 -0.090 0.000 1.089 330 F CA 3.620 61.439 58.000 -0.302 0.000 1.343 330 F CB -0.544 38.354 39.000 -0.170 0.000 1.040 330 F HN -0.752 7.299 8.300 -0.240 0.106 0.498 331 K N -0.417 120.075 120.400 0.153 0.000 2.057 331 K HA -0.360 nan 4.320 nan 0.000 0.207 331 K C 2.840 179.484 176.600 0.072 0.000 1.049 331 K CA 3.579 59.940 56.287 0.125 0.000 0.931 331 K CB -0.396 32.162 32.500 0.097 0.000 0.714 331 K HN 0.032 8.305 8.250 0.155 0.070 0.440 332 K N -1.086 119.319 120.400 0.009 0.000 2.209 332 K HA -0.218 nan 4.320 nan 0.000 0.204 332 K C 1.465 178.068 176.600 0.006 0.000 1.048 332 K CA 2.416 58.700 56.287 -0.005 0.000 0.940 332 K CB -0.330 32.143 32.500 -0.044 0.000 0.729 332 K HN 0.108 8.239 8.250 -0.019 0.107 0.451 333 A N -3.852 118.957 122.820 -0.018 0.000 2.238 333 A HA 0.097 nan 4.320 nan 0.000 0.208 333 A C 0.239 177.969 177.584 0.244 0.000 1.177 333 A CA -0.300 51.755 52.037 0.031 0.000 0.804 333 A CB -0.189 18.676 19.000 -0.225 0.000 0.823 333 A HN -0.525 7.430 8.150 -0.064 0.156 0.482 334 G N -2.188 106.748 108.800 0.226 0.000 2.160 334 G HA2 -0.284 nan 3.960 nan 0.000 0.244 334 G HA3 -0.284 nan 3.960 nan 0.000 0.244 334 G C -0.281 174.831 174.900 0.354 0.000 1.022 334 G CA -0.002 45.243 45.100 0.241 0.000 0.741 334 G HN -0.447 7.745 8.290 0.156 0.191 0.508 335 W N -0.382 120.963 121.300 0.075 0.000 2.313 335 W HA 0.177 nan 4.660 nan 0.000 0.328 335 W C 0.352 176.872 176.519 0.002 0.000 1.197 335 W CA -1.713 55.661 57.345 0.047 0.000 1.235 335 W CB 0.289 29.817 29.460 0.114 0.000 1.158 335 W HN -0.534 7.925 8.180 0.511 0.027 0.578 336 T N 5.621 120.222 114.554 0.078 0.000 2.728 336 T HA 0.191 nan 4.350 nan 0.000 0.296 336 T C -1.229 173.455 174.700 -0.026 0.000 0.940 336 T CA 0.433 62.534 62.100 0.001 0.000 1.013 336 T CB 0.188 69.006 68.868 -0.083 0.000 0.912 336 T HN 0.988 9.193 8.240 -0.059 0.000 0.484 337 I N 7.294 127.865 120.570 0.002 0.000 2.312 337 I HA 0.397 nan 4.170 nan 0.000 0.290 337 I C -0.860 175.214 176.117 -0.072 0.000 1.008 337 I CA -1.068 60.206 61.300 -0.044 0.000 1.226 337 I CB 0.620 38.629 38.000 0.016 0.000 1.371 337 I HN 0.371 8.600 8.210 0.032 0.000 0.468 338 I N 9.658 130.153 120.570 -0.124 0.000 2.354 338 I HA 0.255 nan 4.170 nan 0.000 0.292 338 I C -1.163 174.879 176.117 -0.126 0.000 0.989 338 I CA -2.214 59.010 61.300 -0.126 0.000 1.188 338 I CB 1.198 39.097 38.000 -0.168 0.000 1.342 338 I HN 0.762 8.872 8.210 -0.166 0.000 0.457 339 T N 3.836 118.334 114.554 -0.093 0.000 2.770 339 T HA 0.495 nan 4.350 nan 0.000 0.297 339 T C -1.686 172.980 174.700 -0.057 0.000 0.997 339 T CA -3.791 58.261 62.100 -0.079 0.000 0.949 339 T CB 0.454 69.294 68.868 -0.047 0.000 0.941 339 T HN 0.280 8.473 8.240 -0.078 0.000 0.457 340 P HA 0.347 nan 4.420 nan 0.000 0.270 340 P C -2.365 175.013 177.300 0.130 0.000 1.223 340 P CA -1.607 61.501 63.100 0.014 0.000 0.785 340 P CB -0.656 31.091 31.700 0.080 0.000 0.923 341 P HA 0.071 nan 4.420 nan 0.000 0.276 341 P C -0.915 176.468 177.300 0.138 0.000 1.261 341 P CA -0.657 62.500 63.100 0.095 0.000 0.800 341 P CB 0.658 32.370 31.700 0.020 0.000 1.066 342 T N -4.215 110.373 114.554 0.058 0.000 2.900 342 T HA 0.053 nan 4.350 nan 0.000 0.307 342 T C -1.086 173.433 174.700 -0.301 0.000 1.065 342 T CA -2.150 59.849 62.100 -0.168 0.000 1.105 342 T CB -0.798 68.009 68.868 -0.101 0.000 0.979 342 T HN -0.188 8.087 8.240 0.059 0.000 0.544 343 P HA 0.134 nan 4.420 nan 0.000 0.272 343 P C -0.433 176.723 177.300 -0.240 0.000 1.223 343 P CA -0.740 62.133 63.100 -0.379 0.000 0.784 343 P CB 0.629 32.020 31.700 -0.515 0.000 0.923 344 I N -5.541 114.934 120.570 -0.158 0.000 4.018 344 I HA 0.220 nan 4.170 nan 0.000 0.337 344 I C 0.124 176.174 176.117 -0.111 0.000 1.327 344 I CA -1.091 60.140 61.300 -0.115 0.000 1.100 344 I CB 0.853 38.805 38.000 -0.080 0.000 1.025 344 I HN 0.030 8.673 8.210 -0.139 -0.516 0.396 345 I N 4.295 124.787 120.570 -0.130 0.000 2.826 345 I HA -0.100 nan 4.170 nan 0.000 0.295 345 I C -2.204 173.859 176.117 -0.090 0.000 1.213 345 I CA -1.418 59.811 61.300 -0.119 0.000 1.436 345 I CB 1.178 39.103 38.000 -0.124 0.000 1.348 345 I HN -0.787 7.391 8.210 -0.153 -0.060 0.570 346 P HA -0.032 nan 4.420 nan 0.000 0.267 346 P C -0.204 177.086 177.300 -0.016 0.000 1.200 346 P CA 0.296 63.374 63.100 -0.036 0.000 0.772 346 P CB 0.504 32.193 31.700 -0.019 0.000 0.855 347 D N 0.642 121.029 120.400 -0.023 0.000 2.348 347 D HA -0.235 nan 4.640 nan 0.000 0.216 347 D C 0.431 176.722 176.300 -0.015 0.000 0.970 347 D CA 3.036 57.022 54.000 -0.024 0.000 0.889 347 D CB -0.148 40.635 40.800 -0.028 0.000 0.912 347 D HN 0.484 8.838 8.370 -0.026 0.000 0.524 348 D N -5.483 114.918 120.400 0.001 0.000 2.348 348 D HA -0.160 nan 4.640 nan 0.000 0.211 348 D C 0.037 176.342 176.300 0.008 0.000 0.998 348 D CA 0.299 54.300 54.000 0.001 0.000 0.873 348 D CB -0.160 40.643 40.800 0.005 0.000 0.925 348 D HN -0.012 8.309 8.370 0.005 0.052 0.524 349 H N 2.604 121.628 119.070 -0.076 0.000 2.690 349 H HA 0.204 nan 4.556 nan 0.000 0.314 349 H C -1.612 173.610 175.328 -0.177 0.000 1.069 349 H CA -2.087 53.895 56.048 -0.110 0.000 1.436 349 H CB 1.384 31.082 29.762 -0.107 0.000 1.462 349 H HN -0.646 7.545 8.280 0.101 0.149 0.511 350 P HA -0.032 nan 4.420 nan 0.000 0.270 350 P C -1.406 175.224 177.300 -1.116 0.000 1.242 350 P CA -0.154 62.388 63.100 -0.931 0.000 0.768 350 P CB 0.249 31.135 31.700 -1.356 0.000 0.820 351 L N 4.131 124.936 121.223 -0.696 0.000 2.435 351 L HA 0.209 nan 4.340 nan 0.000 0.253 351 L C 0.197 176.707 176.870 -0.601 0.000 1.087 351 L CA -0.791 53.764 54.840 -0.476 0.000 0.950 351 L CB -0.312 41.636 42.059 -0.184 0.000 1.304 351 L HN 0.081 8.091 8.230 -0.366 0.000 0.453 352 W N 2.628 123.603 121.300 -0.542 0.000 2.374 352 W HA -0.183 nan 4.660 nan 0.000 0.288 352 W C 0.178 176.730 176.519 0.056 0.000 1.218 352 W CA 2.517 59.571 57.345 -0.485 0.000 1.245 352 W CB 0.145 29.503 29.460 -0.170 0.000 1.126 352 W HN -0.270 7.466 8.180 -0.740 0.000 0.545 353 M N -6.056 113.742 119.600 0.330 0.000 2.313 353 M HA 0.173 nan 4.480 nan 0.000 0.273 353 M C -0.885 175.585 176.300 0.284 0.000 1.049 353 M CA -0.286 55.242 55.300 0.379 0.000 1.004 353 M CB 1.040 33.862 32.600 0.370 0.000 1.461 353 M HN -0.631 7.783 8.290 0.207 0.000 0.514 354 S N -1.943 113.879 115.700 0.203 0.000 2.843 354 S HA 0.151 nan 4.470 nan 0.000 0.301 354 S C -1.305 173.368 174.600 0.121 0.000 1.206 354 S CA -1.487 56.834 58.200 0.202 0.000 0.875 354 S CB 1.954 65.254 63.200 0.165 0.000 1.248 354 S HN -0.892 7.492 8.310 0.124 0.000 0.555 355 S N -0.737 115.066 115.700 0.171 0.000 2.738 355 S HA 0.234 nan 4.470 nan 0.000 0.284 355 S C 1.002 175.641 174.600 0.065 0.000 1.146 355 S CA -1.040 57.234 58.200 0.124 0.000 0.997 355 S CB 2.556 65.961 63.200 0.342 0.000 1.081 355 S HN 0.093 8.537 8.310 0.223 0.000 0.553 356 K N 1.036 121.427 120.400 -0.015 0.000 2.365 356 K HA -0.104 nan 4.320 nan 0.000 0.199 356 K C 2.019 178.521 176.600 -0.163 0.000 1.045 356 K CA 2.100 58.304 56.287 -0.139 0.000 0.962 356 K CB -0.167 32.166 32.500 -0.278 0.000 0.759 356 K HN 0.359 8.608 8.250 -0.002 0.000 0.469 357 W N -1.108 120.222 121.300 0.050 0.000 3.109 357 W HA -0.196 nan 4.660 nan 0.000 0.242 357 W C 0.958 177.512 176.519 0.058 0.000 1.318 357 W CA 1.043 58.419 57.345 0.052 0.000 1.491 357 W CB -0.605 28.887 29.460 0.053 0.000 1.120 357 W HN -0.387 7.878 8.180 0.233 0.055 0.715 358 L N -1.059 120.283 121.223 0.199 0.000 2.353 358 L HA -0.472 nan 4.340 nan 0.000 0.220 358 L C 1.772 178.740 176.870 0.162 0.000 1.133 358 L CA 2.343 57.280 54.840 0.163 0.000 0.798 358 L CB -1.108 41.006 42.059 0.092 0.000 0.922 358 L HN -0.472 7.721 8.230 0.123 0.110 0.445 359 S N 0.789 116.576 115.700 0.145 0.000 2.400 359 S HA -0.324 nan 4.470 nan 0.000 0.232 359 S C 1.323 176.075 174.600 0.253 0.000 1.025 359 S CA 2.627 60.922 58.200 0.159 0.000 0.993 359 S CB -0.053 63.187 63.200 0.066 0.000 0.808 359 S HN -0.577 7.737 8.310 0.098 0.055 0.478 360 M N -4.885 114.898 119.600 0.305 0.000 2.495 360 M HA 0.197 nan 4.480 nan 0.000 0.237 360 M C 0.056 176.487 176.300 0.218 0.000 1.131 360 M CA 0.191 55.656 55.300 0.274 0.000 1.032 360 M CB 0.614 33.363 32.600 0.249 0.000 1.513 360 M HN -0.633 7.852 8.290 0.361 0.022 0.488 361 N N 3.536 122.376 118.700 0.233 0.000 3.111 361 N HA 0.061 nan 4.740 nan 0.000 0.302 361 N C -1.236 174.452 175.510 0.296 0.000 1.317 361 N CA -0.534 52.649 53.050 0.222 0.000 1.151 361 N CB -0.127 38.492 38.487 0.221 0.000 1.456 361 N HN -0.377 7.943 8.380 0.246 0.208 0.547 362 V N -3.884 116.181 119.914 0.251 0.000 3.003 362 V HA 0.364 nan 4.120 nan 0.000 0.305 362 V C -1.302 174.906 176.094 0.190 0.000 1.078 362 V CA -1.316 61.122 62.300 0.230 0.000 1.083 362 V CB 0.629 32.504 31.823 0.086 0.000 1.039 362 V HN -0.344 7.863 8.190 0.207 0.108 0.481 363 L N 3.519 124.821 121.223 0.132 0.000 2.333 363 L HA 0.536 nan 4.340 nan 0.000 0.280 363 L C -1.312 175.559 176.870 0.001 0.000 1.004 363 L CA -0.892 54.038 54.840 0.151 0.000 0.820 363 L CB 3.733 45.903 42.059 0.186 0.000 1.247 363 L HN -0.406 7.836 8.230 0.021 0.000 0.416 364 M N 5.000 124.626 119.600 0.043 0.000 2.108 364 M HA 0.344 nan 4.480 nan 0.000 0.354 364 M C 0.559 176.865 176.300 0.010 0.000 1.229 364 M CA -1.415 53.884 55.300 -0.002 0.000 1.081 364 M CB -0.691 31.950 32.600 0.068 0.000 1.606 364 M HN 0.781 9.143 8.290 0.119 0.000 0.467 365 L N 3.135 124.337 121.223 -0.034 0.000 2.240 365 L HA -0.138 nan 4.340 nan 0.000 0.211 365 L C -0.282 176.591 176.870 0.005 0.000 1.106 365 L CA 2.185 57.012 54.840 -0.022 0.000 0.793 365 L CB -0.289 41.739 42.059 -0.051 0.000 0.927 365 L HN 0.786 8.873 8.230 -0.078 0.097 0.446 366 D N -4.416 115.994 120.400 0.016 0.000 2.879 366 D HA 0.022 nan 4.640 nan 0.000 0.346 366 D C 0.879 177.218 176.300 0.064 0.000 1.390 366 D CA -0.534 53.499 54.000 0.056 0.000 0.838 366 D CB -0.113 40.709 40.800 0.037 0.000 1.416 366 D HN -0.569 7.775 8.370 -0.008 0.022 0.493 367 E N -1.522 118.728 120.200 0.083 0.000 2.118 367 E HA -0.276 nan 4.350 nan 0.000 0.195 367 E C 0.828 177.413 176.600 -0.024 0.000 0.992 367 E CA 3.008 59.423 56.400 0.026 0.000 0.804 367 E CB 0.041 29.740 29.700 -0.002 0.000 0.741 367 E HN 0.256 8.676 8.360 0.101 0.000 0.458 368 K N -4.905 115.483 120.400 -0.020 0.000 2.358 368 K HA 0.184 nan 4.320 nan 0.000 0.197 368 K C -1.141 175.424 176.600 -0.058 0.000 1.025 368 K CA -0.948 55.318 56.287 -0.035 0.000 1.104 368 K CB 0.793 33.278 32.500 -0.024 0.000 0.855 368 K HN -0.247 8.212 8.250 -0.004 -0.212 0.531 369 R N -1.793 118.664 120.500 -0.073 0.000 2.513 369 R HA 0.586 nan 4.340 nan 0.000 0.301 369 R C -2.327 173.873 176.300 -0.167 0.000 0.968 369 R CA -0.752 55.282 56.100 -0.109 0.000 0.872 369 R CB 3.038 33.290 30.300 -0.081 0.000 1.177 369 R HN -0.382 7.879 8.270 -0.051 -0.022 0.444 370 V N 4.616 124.369 119.914 -0.269 0.000 2.735 370 V HA 0.742 nan 4.120 nan 0.000 0.310 370 V C -2.399 173.464 176.094 -0.385 0.000 1.061 370 V CA -2.743 59.327 62.300 -0.384 0.000 0.913 370 V CB 4.241 35.609 31.823 -0.758 0.000 1.005 370 V HN 0.711 8.744 8.190 -0.262 0.000 0.428 371 M N 9.654 129.013 119.600 -0.402 0.000 2.080 371 M HA 0.595 nan 4.480 nan 0.000 0.350 371 M C -2.434 173.421 176.300 -0.741 0.000 1.173 371 M CA -0.107 54.839 55.300 -0.590 0.000 1.052 371 M CB 1.273 33.474 32.600 -0.664 0.000 1.577 371 M HN 0.606 8.697 8.290 -0.331 0.000 0.455 372 V N 5.557 125.133 119.914 -0.562 0.000 3.001 372 V HA 0.494 nan 4.120 nan 0.000 0.314 372 V C -2.752 173.353 176.094 0.017 0.000 1.099 372 V CA -3.334 58.846 62.300 -0.200 0.000 0.989 372 V CB 4.274 36.046 31.823 -0.085 0.000 1.040 372 V HN 0.468 8.375 8.190 -0.471 0.000 0.434 373 D N 3.303 123.919 120.400 0.359 0.000 2.417 373 D HA -0.057 nan 4.640 nan 0.000 0.250 373 D C 0.905 177.280 176.300 0.125 0.000 1.166 373 D CA 1.202 55.395 54.000 0.321 0.000 0.881 373 D CB 1.335 42.264 40.800 0.216 0.000 1.164 373 D HN 0.284 8.885 8.370 0.386 0.000 0.467 374 A N 8.786 131.657 122.820 0.086 0.000 1.986 374 A HA -0.279 nan 4.320 nan 0.000 0.220 374 A C 1.235 178.824 177.584 0.009 0.000 1.171 374 A CA 2.662 54.715 52.037 0.026 0.000 0.640 374 A CB -0.054 18.951 19.000 0.009 0.000 0.811 374 A HN 0.594 8.708 8.150 0.126 0.112 0.451 375 N N -4.488 114.212 118.700 -0.001 0.000 2.416 375 N HA -0.070 nan 4.740 nan 0.000 0.177 375 N C 0.098 175.598 175.510 -0.017 0.000 1.036 375 N CA 1.366 54.401 53.050 -0.026 0.000 0.901 375 N CB 0.584 39.034 38.487 -0.061 0.000 0.976 375 N HN -0.379 8.248 8.380 0.008 -0.242 0.444 376 E N 1.403 121.609 120.200 0.010 0.000 1.979 376 E HA 0.142 nan 4.350 nan 0.000 0.285 376 E C 0.033 176.650 176.600 0.028 0.000 1.188 376 E CA -0.823 55.586 56.400 0.014 0.000 1.214 376 E CB -1.717 28.009 29.700 0.043 0.000 1.210 376 E HN -0.525 7.710 8.360 0.032 0.144 0.477 377 V N 3.365 123.284 119.914 0.009 0.000 2.287 377 V HA -0.293 nan 4.120 nan 0.000 0.248 377 V C -0.501 175.602 176.094 0.016 0.000 1.053 377 V CA 6.239 68.547 62.300 0.013 0.000 1.027 377 V CB -2.750 29.073 31.823 -0.001 0.000 0.646 377 V HN -0.448 7.696 8.190 -0.006 0.042 0.447 378 P HA -0.275 nan 4.420 nan 0.000 0.215 378 P C 1.656 178.953 177.300 -0.005 0.000 1.157 378 P CA 3.588 66.685 63.100 -0.005 0.000 0.874 378 P CB -0.362 31.329 31.700 -0.015 0.000 0.790 379 I N -3.742 116.838 120.570 0.016 0.000 2.546 379 I HA -0.422 nan 4.170 nan 0.000 0.255 379 I C 1.203 177.373 176.117 0.088 0.000 1.163 379 I CA 2.193 63.497 61.300 0.006 0.000 1.457 379 I CB -0.228 37.817 38.000 0.075 0.000 1.092 379 I HN -0.666 7.560 8.210 0.025 0.000 0.434 380 Q N 0.225 120.109 119.800 0.140 0.000 2.050 380 Q HA -0.405 nan 4.340 nan 0.000 0.202 380 Q C 2.433 178.510 176.000 0.128 0.000 0.980 380 Q CA 3.636 59.550 55.803 0.186 0.000 0.840 380 Q CB -0.249 28.546 28.738 0.096 0.000 0.898 380 Q HN -0.487 7.718 8.270 0.095 0.122 0.424 381 K N -0.779 119.651 120.400 0.051 0.000 2.063 381 K HA -0.310 nan 4.320 nan 0.000 0.208 381 K C 2.255 178.853 176.600 -0.004 0.000 1.048 381 K CA 2.370 58.669 56.287 0.020 0.000 0.928 381 K CB -0.714 31.786 32.500 0.000 0.000 0.713 381 K HN -0.077 8.197 8.250 0.039 0.000 0.442 382 M N -0.399 119.164 119.600 -0.063 0.000 2.080 382 M HA -0.373 nan 4.480 nan 0.000 0.260 382 M C 2.244 178.442 176.300 -0.169 0.000 1.068 382 M CA 3.870 59.072 55.300 -0.163 0.000 1.109 382 M CB -0.060 32.359 32.600 -0.301 0.000 1.342 382 M HN -0.668 7.500 8.290 -0.058 0.087 0.405 383 F N -2.456 117.479 119.950 -0.025 0.000 2.146 383 F HA -0.393 nan 4.527 nan 0.000 0.298 383 F C 2.238 178.016 175.800 -0.036 0.000 1.096 383 F CA 3.717 61.696 58.000 -0.036 0.000 1.275 383 F CB -0.698 38.280 39.000 -0.036 0.000 1.008 383 F HN -0.509 7.752 8.300 -0.065 0.000 0.480 384 E N -0.465 119.828 120.200 0.156 0.000 2.085 384 E HA -0.381 nan 4.350 nan 0.000 0.194 384 E C 2.957 179.578 176.600 0.036 0.000 0.994 384 E CA 3.310 59.756 56.400 0.076 0.000 0.801 384 E CB -0.426 29.305 29.700 0.052 0.000 0.743 384 E HN -0.015 8.445 8.360 0.167 0.000 0.453 385 K N -1.001 119.407 120.400 0.014 0.000 2.362 385 K HA -0.199 nan 4.320 nan 0.000 0.200 385 K C 1.128 177.723 176.600 -0.008 0.000 1.046 385 K CA 2.255 58.539 56.287 -0.005 0.000 0.952 385 K CB -0.131 32.356 32.500 -0.021 0.000 0.753 385 K HN -0.171 8.085 8.250 0.010 0.000 0.466 386 L N -3.088 118.136 121.223 0.002 0.000 2.592 386 L HA 0.064 nan 4.340 nan 0.000 0.227 386 L C -0.218 176.659 176.870 0.011 0.000 1.127 386 L CA -0.270 54.570 54.840 -0.001 0.000 0.884 386 L CB 0.495 42.554 42.059 0.000 0.000 1.065 386 L HN -0.662 7.411 8.230 0.019 0.168 0.457 387 G N -1.950 106.863 108.800 0.020 0.000 2.137 387 G HA2 -0.389 nan 3.960 nan 0.000 0.237 387 G HA3 -0.389 nan 3.960 nan 0.000 0.237 387 G C -0.486 174.423 174.900 0.016 0.000 1.002 387 G CA 0.153 45.259 45.100 0.011 0.000 0.702 387 G HN -0.451 7.664 8.290 0.026 0.191 0.515 388 I N 0.583 121.181 120.570 0.047 0.000 2.321 388 I HA -0.018 nan 4.170 nan 0.000 0.291 388 I C -0.610 175.506 176.117 -0.002 0.000 0.998 388 I CA -0.728 60.587 61.300 0.025 0.000 1.227 388 I CB 0.788 38.835 38.000 0.078 0.000 1.368 388 I HN -0.281 7.946 8.210 0.079 0.031 0.466 389 T N 10.251 124.781 114.554 -0.040 0.000 2.817 389 T HA 0.041 nan 4.350 nan 0.000 0.295 389 T C -0.240 174.399 174.700 -0.101 0.000 0.958 389 T CA 0.930 62.998 62.100 -0.053 0.000 1.157 389 T CB 0.030 68.866 68.868 -0.053 0.000 0.898 389 T HN 0.503 8.718 8.240 -0.041 0.000 0.536 390 T N 3.157 117.661 114.554 -0.083 0.000 2.767 390 T HA 0.609 nan 4.350 nan 0.000 0.288 390 T C -0.396 174.229 174.700 -0.125 0.000 0.963 390 T CA -1.973 60.051 62.100 -0.126 0.000 1.019 390 T CB 0.383 69.216 68.868 -0.058 0.000 0.923 390 T HN 0.198 8.410 8.240 -0.046 0.000 0.468 391 I N 6.648 127.110 120.570 -0.179 0.000 2.347 391 I HA 0.231 nan 4.170 nan 0.000 0.283 391 I C -0.929 175.068 176.117 -0.200 0.000 1.058 391 I CA -0.750 60.450 61.300 -0.168 0.000 1.202 391 I CB 0.554 38.444 38.000 -0.184 0.000 1.386 391 I HN 0.943 9.010 8.210 -0.237 0.000 0.475 392 K N 6.966 127.289 120.400 -0.128 0.000 2.297 392 K HA 0.284 nan 4.320 nan 0.000 0.286 392 K C -1.208 175.349 176.600 -0.072 0.000 1.053 392 K CA 0.059 56.288 56.287 -0.096 0.000 0.940 392 K CB 0.296 32.770 32.500 -0.044 0.000 1.019 392 K HN 0.196 8.388 8.250 -0.096 0.000 0.475 393 V N 3.687 123.583 119.914 -0.031 0.000 2.789 393 V HA 0.220 nan 4.120 nan 0.000 0.311 393 V C -1.489 174.699 176.094 0.156 0.000 1.073 393 V CA -1.849 60.484 62.300 0.057 0.000 0.921 393 V CB 4.087 35.963 31.823 0.089 0.000 1.009 393 V HN 0.436 8.608 8.190 -0.029 0.000 0.426 394 N N 4.925 123.659 118.700 0.057 0.000 2.419 394 N HA 0.332 nan 4.740 nan 0.000 0.264 394 N C -0.453 175.023 175.510 -0.058 0.000 1.031 394 N CA -0.005 53.047 53.050 0.004 0.000 0.951 394 N CB 0.636 39.098 38.487 -0.041 0.000 1.101 394 N HN 0.278 8.670 8.380 0.020 0.000 0.488 395 I N -0.520 119.975 120.570 -0.125 0.000 3.376 395 I HA 0.418 nan 4.170 nan 0.000 0.326 395 I C 0.040 176.017 176.117 -0.234 0.000 1.538 395 I CA -1.901 59.241 61.300 -0.263 0.000 0.989 395 I CB 0.520 38.222 38.000 -0.496 0.000 1.413 395 I HN -0.365 7.976 8.210 -0.095 -0.189 0.547 396 R N 3.282 123.665 120.500 -0.194 0.000 2.119 396 R HA -0.425 nan 4.340 nan 0.000 0.246 396 R C 1.183 177.409 176.300 -0.122 0.000 1.146 396 R CA 3.547 59.502 56.100 -0.243 0.000 0.962 396 R CB -0.519 29.591 30.300 -0.317 0.000 0.863 396 R HN -0.109 8.312 8.270 -0.171 -0.254 0.442 397 N N -1.667 116.986 118.700 -0.078 0.000 2.300 397 N HA -0.134 nan 4.740 nan 0.000 0.179 397 N C 2.337 177.921 175.510 0.124 0.000 1.016 397 N CA 2.570 55.646 53.050 0.043 0.000 0.876 397 N CB 0.287 38.646 38.487 -0.213 0.000 0.979 397 N HN -0.402 8.301 8.380 -0.142 -0.407 0.432 398 A N 1.170 123.959 122.820 -0.051 0.000 2.015 398 A HA -0.213 nan 4.320 nan 0.000 0.219 398 A C 1.868 179.568 177.584 0.194 0.000 1.163 398 A CA 2.743 54.748 52.037 -0.054 0.000 0.646 398 A CB -0.668 17.926 19.000 -0.677 0.000 0.806 398 A HN 0.335 8.698 8.150 -0.160 -0.309 0.448 399 N N -1.353 117.398 118.700 0.084 0.000 2.205 399 N HA -0.314 nan 4.740 nan 0.000 0.186 399 N C 2.397 177.979 175.510 0.120 0.000 1.015 399 N CA 2.617 55.737 53.050 0.116 0.000 0.862 399 N CB -0.088 38.423 38.487 0.041 0.000 0.986 399 N HN 0.161 8.414 8.380 -0.012 0.119 0.429 400 S N 1.411 117.171 115.700 0.100 0.000 2.419 400 S HA -0.257 nan 4.470 nan 0.000 0.233 400 S C 0.585 175.203 174.600 0.030 0.000 1.016 400 S CA 3.497 61.601 58.200 -0.160 0.000 0.974 400 S CB -0.166 62.731 63.200 -0.504 0.000 0.786 400 S HN -0.371 7.905 8.310 0.194 0.150 0.492 401 L N -4.525 116.775 121.223 0.128 0.000 2.551 401 L HA -0.226 nan 4.340 nan 0.000 0.228 401 L C 0.607 177.558 176.870 0.134 0.000 1.153 401 L CA 0.771 55.655 54.840 0.074 0.000 0.851 401 L CB -0.025 42.053 42.059 0.031 0.000 0.959 401 L HN -0.712 7.505 8.230 0.200 0.133 0.451 402 G N -3.853 105.030 108.800 0.138 0.000 2.205 402 G HA2 -0.131 nan 3.960 nan 0.000 0.180 402 G HA3 -0.131 nan 3.960 nan 0.000 0.180 402 G C -0.952 174.012 174.900 0.108 0.000 1.004 402 G CA -0.385 44.798 45.100 0.139 0.000 0.670 402 G HN -0.334 7.856 8.290 0.144 0.187 0.496 403 G N -1.197 107.684 108.800 0.134 0.000 2.690 403 G HA2 0.321 nan 3.960 nan 0.000 0.293 403 G HA3 0.321 nan 3.960 nan 0.000 0.293 403 G C -1.732 173.347 174.900 0.299 0.000 1.399 403 G CA -0.656 44.530 45.100 0.143 0.000 0.890 403 G HN -0.956 7.475 8.290 0.235 0.000 0.485 404 G N -0.986 107.930 108.800 0.193 0.000 2.773 404 G HA2 0.644 nan 3.960 nan 0.000 0.186 404 G HA3 0.644 nan 3.960 nan 0.000 0.186 404 G C 0.074 174.988 174.900 0.023 0.000 1.411 404 G CA -1.546 43.550 45.100 -0.007 0.000 1.054 404 G HN -0.199 8.390 8.290 0.179 -0.192 0.579 405 F N -0.197 119.883 119.950 0.217 0.000 2.206 405 F HA -0.154 nan 4.527 nan 0.000 0.298 405 F C 2.166 178.100 175.800 0.224 0.000 1.090 405 F CA 4.085 62.199 58.000 0.190 0.000 1.323 405 F CB 0.167 39.229 39.000 0.103 0.000 1.028 405 F HN -0.467 7.848 8.300 0.026 0.000 0.492 406 H N 0.314 119.553 119.070 0.283 0.000 2.389 406 H HA -0.308 nan 4.556 nan 0.000 0.299 406 H C 2.247 177.650 175.328 0.125 0.000 1.081 406 H CA 4.645 60.803 56.048 0.183 0.000 1.345 406 H CB 0.644 30.498 29.762 0.153 0.000 1.393 406 H HN -0.212 8.427 8.280 0.476 -0.073 0.520 407 C N -1.018 118.367 119.300 0.142 0.000 2.457 407 C HA -0.214 nan 4.460 nan 0.000 0.278 407 C C 1.933 176.862 174.990 -0.102 0.000 1.309 407 C CA 4.419 63.422 59.018 -0.026 0.000 1.735 407 C CB -1.282 26.442 27.740 -0.025 0.000 1.992 407 C HN -0.434 8.158 8.230 0.240 -0.218 0.493 408 W N -2.063 119.210 121.300 -0.045 0.000 3.077 408 W HA -0.162 nan 4.660 nan 0.000 0.245 408 W C -1.135 175.377 176.519 -0.012 0.000 1.316 408 W CA 1.808 59.125 57.345 -0.047 0.000 1.537 408 W CB -0.224 29.201 29.460 -0.059 0.000 1.131 408 W HN -0.222 8.150 8.180 0.320 0.000 0.695 409 T N -8.278 106.353 114.554 0.129 0.000 2.864 409 T HA 0.596 nan 4.350 nan 0.000 0.289 409 T C -2.674 172.003 174.700 -0.038 0.000 1.082 409 T CA -2.487 59.661 62.100 0.079 0.000 1.009 409 T CB 3.425 72.352 68.868 0.098 0.000 1.234 409 T HN -0.708 7.501 8.240 0.075 0.076 0.526 410 C N 2.311 121.600 119.300 -0.019 0.000 2.620 410 C HA 0.393 nan 4.460 nan 0.000 0.356 410 C C -2.093 172.877 174.990 -0.034 0.000 1.082 410 C CA -1.188 57.791 59.018 -0.065 0.000 1.293 410 C CB 1.859 29.558 27.740 -0.068 0.000 1.836 410 C HN 0.283 8.532 8.230 0.032 0.000 0.453 411 D N 7.922 128.290 120.400 -0.053 0.000 2.358 411 D HA -0.018 nan 4.640 nan 0.000 0.258 411 D C -0.085 176.168 176.300 -0.079 0.000 1.223 411 D CA 0.239 54.212 54.000 -0.044 0.000 0.886 411 D CB -0.072 40.705 40.800 -0.039 0.000 1.120 411 D HN -0.072 8.252 8.370 -0.078 0.000 0.482 412 V N 2.958 122.822 119.914 -0.083 0.000 2.599 412 V HA -0.040 nan 4.120 nan 0.000 0.245 412 V C -0.679 175.296 176.094 -0.199 0.000 1.046 412 V CA 2.200 64.399 62.300 -0.168 0.000 1.065 412 V CB 0.798 32.506 31.823 -0.191 0.000 0.703 412 V HN 0.084 8.246 8.190 -0.047 0.000 0.464 413 R N -2.156 118.261 120.500 -0.138 0.000 2.533 413 R HA 0.493 nan 4.340 nan 0.000 0.288 413 R C -2.541 173.710 176.300 -0.082 0.000 1.039 413 R CA -0.530 55.494 56.100 -0.127 0.000 0.909 413 R CB 3.146 33.379 30.300 -0.113 0.000 1.195 413 R HN -0.536 7.677 8.270 -0.096 0.000 0.438 414 R N 4.607 125.057 120.500 -0.083 0.000 2.621 414 R HA 0.542 nan 4.340 nan 0.000 0.292 414 R C -1.669 174.620 176.300 -0.018 0.000 0.969 414 R CA -1.544 54.526 56.100 -0.050 0.000 0.887 414 R CB 3.472 33.728 30.300 -0.074 0.000 1.180 414 R HN 0.669 8.871 8.270 -0.113 0.000 0.450 415 R N 4.405 124.910 120.500 0.007 0.000 2.345 415 R HA -0.134 nan 4.340 nan 0.000 0.331 415 R C -0.884 175.454 176.300 0.065 0.000 1.067 415 R CA 0.954 57.074 56.100 0.033 0.000 0.962 415 R CB -0.237 30.082 30.300 0.030 0.000 0.987 415 R HN 0.685 8.847 8.270 0.004 0.110 0.451 416 G N 3.862 112.724 108.800 0.104 0.000 2.320 416 G HA2 -0.056 nan 3.960 nan 0.000 0.296 416 G HA3 -0.056 nan 3.960 nan 0.000 0.296 416 G C -2.434 172.592 174.900 0.210 0.000 1.306 416 G CA 0.328 45.514 45.100 0.143 0.000 0.836 416 G HN -0.434 7.921 8.290 0.107 0.000 0.517 417 T N -3.427 111.203 114.554 0.126 0.000 2.942 417 T HA 0.203 nan 4.350 nan 0.000 0.289 417 T C -0.821 173.653 174.700 -0.377 0.000 1.044 417 T CA -1.765 60.300 62.100 -0.058 0.000 1.023 417 T CB 2.596 71.428 68.868 -0.059 0.000 1.123 417 T HN 0.067 8.378 8.240 0.119 0.000 0.512 418 L N 1.459 122.147 121.223 -0.893 0.000 2.410 418 L HA 0.095 nan 4.340 nan 0.000 0.273 418 L C -0.824 175.825 176.870 -0.369 0.000 1.144 418 L CA 0.541 54.855 54.840 -0.877 0.000 0.863 418 L CB 0.309 41.833 42.059 -0.892 0.000 1.140 418 L HN 0.110 7.852 8.230 -0.813 0.000 0.463 419 Q N 4.939 124.582 119.800 -0.261 0.000 2.615 419 Q HA 0.252 nan 4.340 nan 0.000 0.298 419 Q C -2.178 173.531 176.000 -0.485 0.000 1.023 419 Q CA -1.322 54.270 55.803 -0.350 0.000 0.768 419 Q CB 4.052 32.558 28.738 -0.386 0.000 1.500 419 Q HN 0.038 8.211 8.270 -0.161 0.000 0.441 420 S N -0.438 114.964 115.700 -0.496 0.000 2.472 420 S HA 0.320 nan 4.470 nan 0.000 0.303 420 S C -0.984 173.364 174.600 -0.420 0.000 1.099 420 S CA -1.204 56.808 58.200 -0.313 0.000 1.077 420 S CB 0.344 63.485 63.200 -0.098 0.000 1.031 420 S HN 0.198 8.267 8.310 -0.401 0.000 0.487 421 Y N 4.008 124.522 120.300 0.357 0.000 2.588 421 Y HA 0.189 nan 4.550 nan 0.000 0.247 421 Y C -0.685 175.597 175.900 0.637 0.000 1.157 421 Y CA -0.620 57.731 58.100 0.419 0.000 1.215 421 Y CB 0.850 39.554 38.460 0.407 0.000 1.245 421 Y HN 0.887 9.346 8.280 0.299 0.000 0.534 422 L N -0.055 121.496 121.223 0.547 0.000 2.818 422 L HA 0.085 nan 4.340 nan 0.000 0.243 422 L C -0.978 176.015 176.870 0.204 0.000 1.185 422 L CA -0.154 54.910 54.840 0.373 0.000 0.988 422 L CB -0.141 42.050 42.059 0.220 0.000 1.292 422 L HN -0.444 7.960 8.230 0.385 0.057 0.519 423 D N 0.000 120.525 120.400 0.208 0.000 6.856 423 D HA 0.000 nan 4.640 nan 0.000 0.175 423 D CA 0.000 54.072 54.000 0.121 0.000 0.868 423 D CB 0.000 40.854 40.800 0.091 0.000 0.688 423 D HN 0.000 8.428 8.370 0.267 0.102 0.683