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 1mv8_1_D DATA FIRST_RESID 1 DATA SEQUENCE MRISIFGLGY VGAVCAGCLS ARGHEVIGVD VSSTKIDLIN QGKSPIVEPG DATA SEQUENCE LEALLQQGRQ TGRLSGTTDF KKAVLDSDVS FICVGTPSKK NGDLDLGYIE DATA SEQUENCE TVCREIGFAI REKSERHTVV VRSTVLPGTV NNVVIPLIED CSGKKAGVDF DATA SEQUENCE GVGTNPEFLR ESTAIKDYDF PPMTVIGELD KQTGDLLEEI YRELDAPIIR DATA SEQUENCE KTVEVAEMIK YTCNVWHAAK VTFANEIGNI AKAVGVDGRE VMDVICQDHK DATA SEQUENCE LNLSRYYMRP GFAFGGSCLP KDVRALTYRA SQLDVEHPML GSLMRSNSNQ DATA SEQUENCE VQKAFDLITS HDTRKVGLLG LSFKAGTDDL RESPLVELAE MLIGKGYELR DATA SEQUENCE IFDRNVEYAR VHGANKEYIE SKIPHVSSLL VSDLDEVVAS SDVLVLGNGD DATA SEQUENCE ELFVDLVNKT PSGKKLVDLV GFMPHTTTAQ AEGICW 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.400 176.300 0.167 0.000 1.140 1 M CA 0.000 55.438 55.300 0.229 0.000 0.988 1 M CB 0.000 32.691 32.600 0.152 0.000 1.302 2 R N 1.851 122.400 120.500 0.082 0.000 2.210 2 R HA 0.690 5.029 4.340 -0.001 0.000 0.338 2 R C -1.090 175.236 176.300 0.045 0.000 1.062 2 R CA -0.039 56.101 56.100 0.065 0.000 0.902 2 R CB 0.333 30.666 30.300 0.054 0.000 1.050 2 R HN 0.469 nan 8.270 nan 0.000 0.461 3 I N 1.840 122.446 120.570 0.059 0.000 2.465 3 I HA 0.205 4.375 4.170 -0.001 0.000 0.291 3 I C -0.001 176.174 176.117 0.097 0.000 1.014 3 I CA -0.676 60.665 61.300 0.068 0.000 1.093 3 I CB 2.280 40.332 38.000 0.087 0.000 1.267 3 I HN 0.581 nan 8.210 nan 0.000 0.431 4 S N 6.556 122.333 115.700 0.129 0.000 2.509 4 S HA 0.766 5.235 4.470 -0.001 0.000 0.297 4 S C -0.626 174.081 174.600 0.178 0.000 1.118 4 S CA -0.729 57.534 58.200 0.105 0.000 1.074 4 S CB 1.785 65.053 63.200 0.113 0.000 1.038 4 S HN 0.452 nan 8.310 nan 0.000 0.498 5 I N 2.368 122.980 120.570 0.069 0.000 2.410 5 I HA 0.350 4.519 4.170 -0.001 0.000 0.286 5 I C -1.307 174.820 176.117 0.016 0.000 1.009 5 I CA -0.587 60.804 61.300 0.152 0.000 1.111 5 I CB 1.213 39.272 38.000 0.099 0.000 1.262 5 I HN 0.568 nan 8.210 nan 0.000 0.443 6 F N 4.401 124.421 119.950 0.117 0.000 2.390 6 F HA 0.598 5.125 4.527 -0.001 0.000 0.361 6 F C 0.944 176.781 175.800 0.061 0.000 1.124 6 F CA -0.454 57.596 58.000 0.083 0.000 1.149 6 F CB 1.284 40.330 39.000 0.077 0.000 1.160 6 F HN 0.613 nan 8.300 nan 0.000 0.501 7 G N 4.447 113.330 108.800 0.138 0.000 3.445 7 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.686 7 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.686 7 G C -0.882 174.036 174.900 0.029 0.000 1.113 7 G CA -1.087 44.059 45.100 0.076 0.000 0.974 7 G HN 0.671 nan 8.290 nan 0.000 0.492 8 L N 2.934 124.153 121.223 -0.007 0.000 3.047 8 L HA 0.473 4.813 4.340 -0.001 0.000 0.242 8 L C 1.498 178.332 176.870 -0.060 0.000 1.315 8 L CA 0.074 54.893 54.840 -0.034 0.000 1.042 8 L CB 0.101 42.132 42.059 -0.046 0.000 1.420 8 L HN 0.723 nan 8.230 nan 0.000 0.517 9 G N -1.194 107.582 108.800 -0.039 0.000 2.630 9 G HA2 0.087 4.047 3.960 -0.001 0.000 0.223 9 G HA3 0.087 4.047 3.960 -0.001 0.000 0.223 9 G C 0.348 175.200 174.900 -0.080 0.000 1.434 9 G CA -0.135 44.933 45.100 -0.053 0.000 1.057 9 G HN 0.110 nan 8.290 nan 0.000 0.570 10 Y N -0.999 119.291 120.300 -0.016 0.000 2.207 10 Y HA -0.137 4.412 4.550 -0.001 0.000 0.287 10 Y C 2.951 178.848 175.900 -0.004 0.000 1.156 10 Y CA 1.477 59.572 58.100 -0.008 0.000 1.182 10 Y CB -0.350 38.108 38.460 -0.004 0.000 0.979 10 Y HN 0.048 nan 8.280 nan 0.000 0.521 11 V N -1.290 118.702 119.914 0.130 0.000 2.374 11 V HA -0.098 4.021 4.120 -0.001 0.000 0.241 11 V C 2.491 178.602 176.094 0.028 0.000 1.034 11 V CA 1.675 64.019 62.300 0.073 0.000 1.037 11 V CB -1.249 30.606 31.823 0.054 0.000 0.682 11 V HN 0.472 nan 8.190 nan 0.000 0.463 12 G N -0.105 108.706 108.800 0.019 0.000 2.440 12 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.218 12 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.218 12 G C 1.746 176.627 174.900 -0.033 0.000 1.154 12 G CA 1.146 46.246 45.100 0.001 0.000 0.767 12 G HN 0.585 nan 8.290 nan 0.000 0.552 13 A N 0.009 122.798 122.820 -0.051 0.000 1.933 13 A HA 0.105 4.424 4.320 -0.001 0.000 0.218 13 A C 2.605 180.142 177.584 -0.080 0.000 1.175 13 A CA 1.784 53.776 52.037 -0.075 0.000 0.628 13 A CB -0.529 18.407 19.000 -0.107 0.000 0.814 13 A HN 0.256 nan 8.150 nan 0.000 0.444 14 V N -0.809 119.067 119.914 -0.064 0.000 2.307 14 V HA -0.311 3.809 4.120 -0.001 0.000 0.245 14 V C 2.663 178.668 176.094 -0.148 0.000 1.045 14 V CA 2.015 64.270 62.300 -0.076 0.000 1.024 14 V CB -1.142 30.676 31.823 -0.010 0.000 0.651 14 V HN 0.708 nan 8.190 nan 0.000 0.449 15 C N 0.366 119.603 119.300 -0.105 0.000 2.401 15 C HA -0.172 4.288 4.460 -0.001 0.000 0.276 15 C C 3.107 177.980 174.990 -0.195 0.000 1.233 15 C CA 0.901 59.824 59.018 -0.159 0.000 1.753 15 C CB -1.449 26.228 27.740 -0.104 0.000 2.029 15 C HN 0.645 nan 8.230 nan 0.000 0.478 16 A N 0.801 123.548 122.820 -0.122 0.000 1.883 16 A HA 0.022 4.342 4.320 -0.001 0.000 0.217 16 A C 2.430 179.948 177.584 -0.110 0.000 1.186 16 A CA 2.264 54.247 52.037 -0.091 0.000 0.624 16 A CB -1.353 17.609 19.000 -0.063 0.000 0.822 16 A HN 0.554 nan 8.150 nan 0.000 0.444 17 G N -0.995 107.728 108.800 -0.129 0.000 2.421 17 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.216 17 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.216 17 G C 1.608 176.402 174.900 -0.176 0.000 1.171 17 G CA 1.336 46.360 45.100 -0.127 0.000 0.775 17 G HN 0.534 nan 8.290 nan 0.000 0.543 18 C N 0.149 119.260 119.300 -0.316 0.000 2.429 18 C HA 0.098 4.558 4.460 -0.001 0.000 0.277 18 C C 2.920 177.727 174.990 -0.306 0.000 1.262 18 C CA 0.482 59.214 59.018 -0.476 0.000 1.733 18 C CB -1.089 25.934 27.740 -1.194 0.000 2.010 18 C HN 0.416 nan 8.230 nan 0.000 0.483 19 L N 1.611 122.697 121.223 -0.228 0.000 2.056 19 L HA -0.126 4.214 4.340 -0.001 0.000 0.207 19 L C 2.804 179.729 176.870 0.092 0.000 1.078 19 L CA 1.949 56.790 54.840 0.003 0.000 0.749 19 L CB -0.637 41.401 42.059 -0.036 0.000 0.901 19 L HN 0.473 nan 8.230 nan 0.000 0.433 20 S N 0.006 115.710 115.700 0.007 0.000 2.382 20 S HA -0.146 4.324 4.470 -0.001 0.000 0.228 20 S C 2.136 176.728 174.600 -0.014 0.000 1.027 20 S CA 0.791 58.999 58.200 0.013 0.000 0.991 20 S CB -0.487 62.706 63.200 -0.012 0.000 0.823 20 S HN 0.339 nan 8.310 nan 0.000 0.469 21 A N 2.119 124.915 122.820 -0.040 0.000 2.019 21 A HA 0.051 4.370 4.320 -0.001 0.000 0.219 21 A C 2.265 179.825 177.584 -0.039 0.000 1.164 21 A CA 1.037 53.047 52.037 -0.045 0.000 0.644 21 A CB -0.478 18.485 19.000 -0.062 0.000 0.805 21 A HN 0.584 nan 8.150 nan 0.000 0.449 22 R N -1.495 118.990 120.500 -0.025 0.000 2.310 22 R HA 0.238 4.577 4.340 -0.001 0.000 0.202 22 R C 1.217 177.411 176.300 -0.176 0.000 0.933 22 R CA 0.548 56.618 56.100 -0.050 0.000 1.054 22 R CB 0.024 30.344 30.300 0.034 0.000 0.985 22 R HN 0.650 nan 8.270 nan 0.000 0.489 23 G N 0.087 108.799 108.800 -0.148 0.000 2.201 23 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.212 23 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.212 23 G C -0.060 174.723 174.900 -0.195 0.000 0.994 23 G CA -0.521 44.471 45.100 -0.180 0.000 0.644 23 G HN 0.348 nan 8.290 nan 0.000 0.508 24 H N 1.286 120.350 119.070 -0.009 0.000 2.690 24 H HA 0.545 5.100 4.556 -0.001 0.000 0.365 24 H C 0.746 176.073 175.328 -0.001 0.000 1.142 24 H CA 0.711 56.759 56.048 -0.000 0.000 1.417 24 H CB 0.777 30.545 29.762 0.010 0.000 1.446 24 H HN 0.660 nan 8.280 nan 0.000 0.599 25 E N 2.678 122.960 120.200 0.136 0.000 2.152 25 E HA 0.448 4.797 4.350 -0.001 0.000 0.285 25 E C -0.599 176.048 176.600 0.079 0.000 1.043 25 E CA -0.722 55.724 56.400 0.076 0.000 0.839 25 E CB 0.467 30.199 29.700 0.054 0.000 1.069 25 E HN 0.382 nan 8.360 nan 0.000 0.399 26 V N 3.756 123.703 119.914 0.054 0.000 2.448 26 V HA 0.474 4.594 4.120 -0.001 0.000 0.295 26 V C -0.049 176.053 176.094 0.014 0.000 1.025 26 V CA -0.556 61.769 62.300 0.040 0.000 0.859 26 V CB 1.372 33.212 31.823 0.029 0.000 0.988 26 V HN 0.800 nan 8.190 nan 0.000 0.431 27 I N 4.287 124.862 120.570 0.008 0.000 2.359 27 I HA 0.475 4.644 4.170 -0.001 0.000 0.284 27 I C 0.921 177.002 176.117 -0.059 0.000 1.018 27 I CA -0.225 61.061 61.300 -0.023 0.000 1.173 27 I CB 1.474 39.461 38.000 -0.022 0.000 1.326 27 I HN 0.719 nan 8.210 nan 0.000 0.462 28 G N 5.837 114.598 108.800 -0.064 0.000 2.370 28 G HA2 0.515 4.474 3.960 -0.001 0.000 0.272 28 G HA3 0.515 4.474 3.960 -0.001 0.000 0.272 28 G C -0.524 174.295 174.900 -0.135 0.000 1.208 28 G CA -0.185 44.863 45.100 -0.087 0.000 0.856 28 G HN 0.351 nan 8.290 nan 0.000 0.500 29 V N 3.135 122.919 119.914 -0.216 0.000 2.540 29 V HA 0.569 4.688 4.120 -0.001 0.000 0.302 29 V C -0.653 175.365 176.094 -0.127 0.000 1.035 29 V CA -0.763 61.383 62.300 -0.257 0.000 0.873 29 V CB 1.874 33.300 31.823 -0.662 0.000 0.992 29 V HN 0.810 nan 8.190 nan 0.000 0.428 30 D N 1.556 121.932 120.400 -0.039 0.000 2.609 30 D HA 0.324 4.963 4.640 -0.001 0.000 0.239 30 D C 0.464 176.794 176.300 0.050 0.000 1.229 30 D CA -0.288 53.722 54.000 0.017 0.000 0.808 30 D CB 3.004 43.801 40.800 -0.004 0.000 1.448 30 D HN 0.379 nan 8.370 nan 0.000 0.433 31 V N -0.184 119.771 119.914 0.069 0.000 3.129 31 V HA 0.136 4.255 4.120 -0.001 0.000 0.259 31 V C 1.016 177.140 176.094 0.050 0.000 1.116 31 V CA 0.521 62.868 62.300 0.078 0.000 1.127 31 V CB 0.005 31.886 31.823 0.096 0.000 0.742 31 V HN 0.351 nan 8.190 nan 0.000 0.474 32 S N 1.698 117.417 115.700 0.031 0.000 2.405 32 S HA 0.238 4.707 4.470 -0.001 0.000 0.291 32 S C 1.536 176.140 174.600 0.008 0.000 1.137 32 S CA 0.181 58.391 58.200 0.017 0.000 1.061 32 S CB 0.744 63.947 63.200 0.005 0.000 1.001 32 S HN 0.814 nan 8.310 nan 0.000 0.507 33 S N 4.112 119.818 115.700 0.010 0.000 2.400 33 S HA -0.139 4.330 4.470 -0.001 0.000 0.232 33 S C 1.771 176.368 174.600 -0.004 0.000 1.025 33 S CA 1.693 59.895 58.200 0.003 0.000 0.993 33 S CB -1.141 62.062 63.200 0.005 0.000 0.808 33 S HN 0.748 nan 8.310 nan 0.000 0.478 34 T N 2.506 117.058 114.554 -0.004 0.000 2.684 34 T HA -0.091 4.259 4.350 -0.001 0.000 0.267 34 T C 1.802 176.491 174.700 -0.019 0.000 1.036 34 T CA 1.723 63.817 62.100 -0.009 0.000 1.148 34 T CB -0.313 68.551 68.868 -0.007 0.000 0.863 34 T HN 0.525 nan 8.240 nan 0.000 0.436 35 K N 0.112 120.499 120.400 -0.022 0.000 2.057 35 K HA -0.009 4.311 4.320 -0.001 0.000 0.206 35 K C 2.142 178.722 176.600 -0.034 0.000 1.050 35 K CA 0.913 57.178 56.287 -0.036 0.000 0.935 35 K CB -0.244 32.232 32.500 -0.041 0.000 0.715 35 K HN 0.186 nan 8.250 nan 0.000 0.439 36 I N 2.106 122.661 120.570 -0.026 0.000 2.179 36 I HA -0.247 3.923 4.170 -0.001 0.000 0.242 36 I C 1.677 177.779 176.117 -0.025 0.000 1.088 36 I CA 1.542 62.826 61.300 -0.027 0.000 1.357 36 I CB -0.661 37.327 38.000 -0.020 0.000 1.051 36 I HN 0.091 nan 8.210 nan 0.000 0.409 37 D N 0.282 120.670 120.400 -0.021 0.000 2.104 37 D HA -0.153 4.487 4.640 -0.001 0.000 0.194 37 D C 2.440 178.726 176.300 -0.022 0.000 0.994 37 D CA 1.182 55.171 54.000 -0.019 0.000 0.830 37 D CB -0.371 40.420 40.800 -0.014 0.000 0.959 37 D HN 0.244 nan 8.370 nan 0.000 0.452 38 L N 0.243 121.450 121.223 -0.026 0.000 2.017 38 L HA -0.150 4.189 4.340 -0.001 0.000 0.208 38 L C 2.521 179.370 176.870 -0.034 0.000 1.073 38 L CA 0.805 55.627 54.840 -0.030 0.000 0.745 38 L CB -0.291 41.746 42.059 -0.037 0.000 0.894 38 L HN 0.020 nan 8.230 nan 0.000 0.432 39 I N -0.139 120.408 120.570 -0.038 0.000 2.226 39 I HA -0.288 3.881 4.170 -0.001 0.000 0.245 39 I C 2.095 178.193 176.117 -0.033 0.000 1.100 39 I CA 1.029 62.305 61.300 -0.040 0.000 1.374 39 I CB -0.355 37.618 38.000 -0.045 0.000 1.057 39 I HN 0.329 nan 8.210 nan 0.000 0.413 40 N N 0.606 119.289 118.700 -0.028 0.000 2.381 40 N HA -0.173 4.566 4.740 -0.001 0.000 0.182 40 N C 1.539 177.036 175.510 -0.021 0.000 1.025 40 N CA 1.016 54.051 53.050 -0.024 0.000 0.888 40 N CB -0.154 38.320 38.487 -0.022 0.000 0.965 40 N HN 0.518 nan 8.380 nan 0.000 0.438 41 Q N -0.626 119.161 119.800 -0.022 0.000 2.403 41 Q HA 0.200 4.540 4.340 -0.001 0.000 0.203 41 Q C 0.627 176.614 176.000 -0.021 0.000 0.932 41 Q CA 0.244 56.036 55.803 -0.019 0.000 0.945 41 Q CB 0.365 29.092 28.738 -0.018 0.000 1.045 41 Q HN 0.321 nan 8.270 nan 0.000 0.511 42 G N 0.172 108.957 108.800 -0.025 0.000 2.176 42 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.252 42 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.252 42 G C -0.012 174.871 174.900 -0.028 0.000 1.024 42 G CA 0.546 45.630 45.100 -0.026 0.000 0.755 42 G HN 0.426 nan 8.290 nan 0.000 0.507 43 K N -0.455 119.927 120.400 -0.031 0.000 2.207 43 K HA 0.893 5.212 4.320 -0.001 0.000 0.255 43 K C 0.324 176.898 176.600 -0.044 0.000 0.941 43 K CA 0.224 56.492 56.287 -0.032 0.000 0.825 43 K CB 1.752 34.236 32.500 -0.028 0.000 1.119 43 K HN 1.223 nan 8.250 nan 0.000 0.430 44 S N 2.025 117.696 115.700 -0.047 0.000 2.523 44 S HA 0.402 4.872 4.470 -0.001 0.000 0.275 44 S C -1.653 172.901 174.600 -0.077 0.000 1.281 44 S CA -1.395 56.765 58.200 -0.066 0.000 1.050 44 S CB 0.869 64.031 63.200 -0.063 0.000 0.937 44 S HN 0.521 nan 8.310 nan 0.000 0.492 45 P HA 0.198 nan 4.420 nan 0.000 0.236 45 P C 0.002 177.211 177.300 -0.151 0.000 1.177 45 P CA 0.421 63.452 63.100 -0.115 0.000 0.773 45 P CB -0.201 31.418 31.700 -0.134 0.000 0.878 46 I N -6.097 114.361 120.570 -0.186 0.000 3.042 46 I HA 0.475 4.644 4.170 -0.001 0.000 0.310 46 I C -0.807 175.262 176.117 -0.081 0.000 1.117 46 I CA -1.719 59.455 61.300 -0.210 0.000 1.003 46 I CB 2.488 40.159 38.000 -0.548 0.000 1.228 46 I HN -0.538 nan 8.210 nan 0.000 0.443 47 V N 2.736 122.651 119.914 0.002 0.000 2.389 47 V HA 0.414 4.534 4.120 -0.001 0.000 0.264 47 V C -0.351 175.781 176.094 0.063 0.000 1.049 47 V CA 0.310 62.630 62.300 0.034 0.000 0.932 47 V CB 0.205 32.060 31.823 0.054 0.000 1.011 47 V HN 0.795 nan 8.190 nan 0.000 0.475 48 E N 7.151 127.371 120.200 0.033 0.000 2.367 48 E HA 0.430 4.779 4.350 -0.001 0.000 0.292 48 E C -2.979 173.637 176.600 0.027 0.000 0.900 48 E CA -1.550 54.878 56.400 0.047 0.000 0.807 48 E CB 2.101 31.824 29.700 0.038 0.000 1.337 48 E HN 0.333 nan 8.360 nan 0.000 0.394 49 P HA 0.212 nan 4.420 nan 0.000 0.264 49 P C 0.772 178.085 177.300 0.021 0.000 1.193 49 P CA 1.239 64.355 63.100 0.026 0.000 0.763 49 P CB 0.810 32.530 31.700 0.033 0.000 0.810 50 G N 2.102 110.909 108.800 0.012 0.000 2.205 50 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.261 50 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.261 50 G C 0.663 175.558 174.900 -0.009 0.000 0.980 50 G CA 0.326 45.429 45.100 0.006 0.000 0.632 50 G HN 0.549 nan 8.290 nan 0.000 0.533 51 L N 1.110 122.325 121.223 -0.014 0.000 2.072 51 L HA 0.290 4.629 4.340 -0.001 0.000 0.205 51 L C 2.465 179.313 176.870 -0.036 0.000 1.079 51 L CA 2.990 57.810 54.840 -0.032 0.000 0.752 51 L CB -0.621 41.414 42.059 -0.040 0.000 0.906 51 L HN 0.476 nan 8.230 nan 0.000 0.436 52 E N -0.584 119.598 120.200 -0.030 0.000 2.085 52 E HA -0.263 4.087 4.350 -0.001 0.000 0.194 52 E C 2.124 178.709 176.600 -0.026 0.000 0.994 52 E CA 1.409 57.792 56.400 -0.029 0.000 0.801 52 E CB -0.200 29.486 29.700 -0.023 0.000 0.743 52 E HN 0.594 nan 8.360 nan 0.000 0.453 53 A N 0.765 123.573 122.820 -0.020 0.000 1.908 53 A HA -0.187 4.132 4.320 -0.001 0.000 0.218 53 A C 2.203 179.772 177.584 -0.024 0.000 1.181 53 A CA 1.401 53.428 52.037 -0.018 0.000 0.627 53 A CB -0.696 18.297 19.000 -0.011 0.000 0.818 53 A HN 0.328 nan 8.150 nan 0.000 0.445 54 L N -1.133 120.071 121.223 -0.032 0.000 2.056 54 L HA -0.161 4.178 4.340 -0.001 0.000 0.207 54 L C 2.454 179.298 176.870 -0.044 0.000 1.078 54 L CA 0.641 55.455 54.840 -0.043 0.000 0.749 54 L CB -0.593 41.429 42.059 -0.061 0.000 0.901 54 L HN 0.278 nan 8.230 nan 0.000 0.433 55 L N -0.232 120.965 121.223 -0.044 0.000 2.017 55 L HA -0.227 4.113 4.340 -0.001 0.000 0.208 55 L C 2.661 179.511 176.870 -0.033 0.000 1.073 55 L CA 1.702 56.516 54.840 -0.042 0.000 0.745 55 L CB -1.146 40.886 42.059 -0.045 0.000 0.894 55 L HN 0.295 nan 8.230 nan 0.000 0.432 56 Q N -1.012 118.771 119.800 -0.028 0.000 2.030 56 Q HA -0.280 4.059 4.340 -0.001 0.000 0.204 56 Q C 2.238 178.225 176.000 -0.021 0.000 0.986 56 Q CA 1.904 57.694 55.803 -0.022 0.000 0.843 56 Q CB -0.245 28.482 28.738 -0.019 0.000 0.904 56 Q HN 0.585 nan 8.270 nan 0.000 0.420 57 Q N -0.411 119.375 119.800 -0.022 0.000 2.096 57 Q HA -0.148 4.191 4.340 -0.001 0.000 0.204 57 Q C 2.179 178.166 176.000 -0.022 0.000 0.982 57 Q CA 1.280 57.071 55.803 -0.021 0.000 0.850 57 Q CB -0.322 28.402 28.738 -0.023 0.000 0.901 57 Q HN 0.520 nan 8.270 nan 0.000 0.422 58 G N 0.716 109.501 108.800 -0.026 0.000 2.418 58 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.217 58 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.217 58 G C 1.474 176.362 174.900 -0.019 0.000 1.158 58 G CA 0.377 45.463 45.100 -0.023 0.000 0.771 58 G HN 0.085 nan 8.290 nan 0.000 0.545 59 R N 0.074 120.562 120.500 -0.020 0.000 2.075 59 R HA 0.006 4.346 4.340 -0.001 0.000 0.232 59 R C 3.117 179.408 176.300 -0.015 0.000 1.126 59 R CA 1.673 57.762 56.100 -0.018 0.000 0.963 59 R CB -1.282 29.007 30.300 -0.019 0.000 0.858 59 R HN 0.535 nan 8.270 nan 0.000 0.435 60 Q N 0.600 120.391 119.800 -0.015 0.000 2.084 60 Q HA -0.126 4.214 4.340 -0.001 0.000 0.202 60 Q C 2.001 177.994 176.000 -0.012 0.000 0.978 60 Q CA 2.271 58.066 55.803 -0.013 0.000 0.844 60 Q CB -1.437 27.293 28.738 -0.013 0.000 0.898 60 Q HN 0.678 nan 8.270 nan 0.000 0.426 61 T N -4.372 110.174 114.554 -0.013 0.000 3.085 61 T HA 0.358 4.708 4.350 -0.001 0.000 0.263 61 T C 1.772 176.466 174.700 -0.011 0.000 1.127 61 T CA 1.091 63.184 62.100 -0.013 0.000 1.103 61 T CB -0.035 68.824 68.868 -0.015 0.000 0.921 61 T HN 1.720 nan 8.240 nan 0.000 0.510 62 G N 1.851 110.645 108.800 -0.010 0.000 2.148 62 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.254 62 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.254 62 G C 0.928 175.825 174.900 -0.005 0.000 0.981 62 G CA 0.273 45.368 45.100 -0.008 0.000 0.670 62 G HN 0.553 nan 8.290 nan 0.000 0.528 63 R N -1.214 119.283 120.500 -0.006 0.000 2.297 63 R HA 0.359 4.699 4.340 -0.001 0.000 0.197 63 R C 0.518 176.820 176.300 0.004 0.000 0.943 63 R CA 0.422 56.523 56.100 0.002 0.000 1.038 63 R CB 0.312 30.612 30.300 0.000 0.000 0.957 63 R HN 0.420 nan 8.270 nan 0.000 0.484 64 L N 0.354 121.573 121.223 -0.006 0.000 2.408 64 L HA 0.396 4.735 4.340 -0.001 0.000 0.268 64 L C -0.869 175.991 176.870 -0.016 0.000 0.986 64 L CA -0.400 54.433 54.840 -0.012 0.000 0.820 64 L CB 2.171 44.218 42.059 -0.021 0.000 1.303 64 L HN 0.021 nan 8.230 nan 0.000 0.411 65 S N 2.202 117.890 115.700 -0.019 0.000 2.570 65 S HA 0.962 5.431 4.470 -0.001 0.000 0.270 65 S C -0.627 173.954 174.600 -0.033 0.000 1.149 65 S CA -0.247 57.939 58.200 -0.024 0.000 0.837 65 S CB 1.430 64.618 63.200 -0.019 0.000 1.124 65 S HN 1.037 nan 8.310 nan 0.000 0.465 66 G N -0.240 108.539 108.800 -0.035 0.000 2.482 66 G HA2 0.727 4.687 3.960 -0.001 0.000 0.317 66 G HA3 0.727 4.687 3.960 -0.001 0.000 0.317 66 G C -0.966 173.910 174.900 -0.040 0.000 1.241 66 G CA -0.659 44.415 45.100 -0.043 0.000 0.967 66 G HN 0.949 nan 8.290 nan 0.000 0.482 67 T N -1.659 112.866 114.554 -0.049 0.000 2.802 67 T HA 0.523 4.873 4.350 -0.001 0.000 0.311 67 T C 1.048 175.730 174.700 -0.030 0.000 1.405 67 T CA 0.399 62.476 62.100 -0.039 0.000 1.016 67 T CB 1.426 70.266 68.868 -0.045 0.000 1.352 67 T HN 0.866 nan 8.240 nan 0.000 0.498 68 T N -1.082 113.467 114.554 -0.008 0.000 3.040 68 T HA 0.229 4.579 4.350 -0.001 0.000 0.250 68 T C 0.454 175.183 174.700 0.048 0.000 1.058 68 T CA 0.026 62.147 62.100 0.036 0.000 0.988 68 T CB -0.021 68.873 68.868 0.042 0.000 0.993 68 T HN 0.455 nan 8.240 nan 0.000 0.519 69 D N 1.936 122.319 120.400 -0.029 0.000 2.508 69 D HA 0.144 4.783 4.640 -0.001 0.000 0.224 69 D C 0.888 177.122 176.300 -0.109 0.000 1.171 69 D CA -1.088 52.837 54.000 -0.124 0.000 1.006 69 D CB -0.292 40.440 40.800 -0.113 0.000 1.073 69 D HN 0.434 nan 8.370 nan 0.000 0.513 70 F N 2.437 122.410 119.950 0.038 0.000 2.216 70 F HA -0.025 4.502 4.527 -0.001 0.000 0.300 70 F C 2.046 177.926 175.800 0.134 0.000 1.085 70 F CA 0.581 58.645 58.000 0.107 0.000 1.326 70 F CB -0.424 38.757 39.000 0.301 0.000 1.027 70 F HN 0.138 nan 8.300 nan 0.000 0.497 71 K N 1.069 121.233 120.400 -0.392 0.000 2.026 71 K HA -0.175 4.144 4.320 -0.001 0.000 0.208 71 K C 2.307 178.893 176.600 -0.023 0.000 1.048 71 K CA 1.438 57.660 56.287 -0.109 0.000 0.929 71 K CB -0.268 32.106 32.500 -0.209 0.000 0.713 71 K HN 0.087 nan 8.250 nan 0.000 0.439 72 K N 0.123 120.479 120.400 -0.074 0.000 2.057 72 K HA -0.056 4.264 4.320 -0.001 0.000 0.206 72 K C 2.031 178.633 176.600 0.003 0.000 1.050 72 K CA 1.279 57.546 56.287 -0.033 0.000 0.935 72 K CB -0.265 32.204 32.500 -0.052 0.000 0.715 72 K HN 0.292 nan 8.250 nan 0.000 0.439 73 A N 0.674 123.499 122.820 0.010 0.000 1.902 73 A HA -0.119 4.201 4.320 -0.001 0.000 0.217 73 A C 2.363 180.003 177.584 0.093 0.000 1.181 73 A CA 1.577 53.627 52.037 0.022 0.000 0.623 73 A CB -0.563 18.403 19.000 -0.056 0.000 0.818 73 A HN 0.113 nan 8.150 nan 0.000 0.443 74 V N -0.491 119.502 119.914 0.131 0.000 2.358 74 V HA -0.203 3.916 4.120 -0.001 0.000 0.246 74 V C 2.467 178.584 176.094 0.038 0.000 1.047 74 V CA 1.769 64.116 62.300 0.080 0.000 1.035 74 V CB -0.695 31.120 31.823 -0.012 0.000 0.658 74 V HN 0.480 nan 8.190 nan 0.000 0.452 75 L N -0.020 121.222 121.223 0.031 0.000 2.131 75 L HA -0.131 4.208 4.340 -0.001 0.000 0.210 75 L C 1.585 178.489 176.870 0.057 0.000 1.092 75 L CA 1.786 56.643 54.840 0.029 0.000 0.759 75 L CB -0.597 41.468 42.059 0.010 0.000 0.903 75 L HN 0.335 nan 8.230 nan 0.000 0.435 76 D N -1.483 118.954 120.400 0.062 0.000 2.368 76 D HA 0.144 4.783 4.640 -0.001 0.000 0.218 76 D C 0.437 176.786 176.300 0.081 0.000 1.112 76 D CA 0.254 54.289 54.000 0.058 0.000 0.834 76 D CB 0.254 41.074 40.800 0.034 0.000 0.953 76 D HN 0.311 nan 8.370 nan 0.000 0.505 77 S N -1.138 114.643 115.700 0.135 0.000 2.627 77 S HA 0.425 4.894 4.470 -0.001 0.000 0.283 77 S C 0.071 174.774 174.600 0.171 0.000 1.127 77 S CA -0.788 57.499 58.200 0.144 0.000 0.863 77 S CB 2.704 66.003 63.200 0.165 0.000 1.121 77 S HN -0.234 nan 8.310 nan 0.000 0.479 78 D N -0.136 120.278 120.400 0.022 0.000 2.423 78 D HA 0.208 4.848 4.640 -0.001 0.000 0.212 78 D C 0.057 176.094 176.300 -0.439 0.000 1.060 78 D CA 0.585 54.515 54.000 -0.118 0.000 0.872 78 D CB 1.159 41.923 40.800 -0.061 0.000 1.012 78 D HN 0.339 nan 8.370 nan 0.000 0.503 79 V N 0.480 120.193 119.914 -0.334 0.000 2.760 79 V HA 0.452 4.572 4.120 -0.001 0.000 0.309 79 V C -1.357 174.611 176.094 -0.210 0.000 1.077 79 V CA -0.401 61.651 62.300 -0.414 0.000 0.910 79 V CB 2.221 33.820 31.823 -0.374 0.000 1.008 79 V HN -0.142 nan 8.190 nan 0.000 0.424 80 S N 6.484 122.108 115.700 -0.126 0.000 2.498 80 S HA 0.676 5.145 4.470 -0.001 0.000 0.317 80 S C -0.928 173.675 174.600 0.006 0.000 1.090 80 S CA -0.223 58.074 58.200 0.161 0.000 1.089 80 S CB 1.061 64.532 63.200 0.453 0.000 0.997 80 S HN 0.558 nan 8.310 nan 0.000 0.470 81 F N 2.504 122.567 119.950 0.189 0.000 2.404 81 F HA 0.478 5.004 4.527 -0.001 0.000 0.345 81 F C 0.404 176.324 175.800 0.201 0.000 1.110 81 F CA -0.734 57.354 58.000 0.146 0.000 1.130 81 F CB 0.677 39.742 39.000 0.109 0.000 1.129 81 F HN 0.374 nan 8.300 nan 0.000 0.500 82 I N 3.779 124.537 120.570 0.313 0.000 2.304 82 I HA 0.182 4.352 4.170 -0.001 0.000 0.291 82 I C -0.423 175.813 176.117 0.198 0.000 1.018 82 I CA -0.088 61.345 61.300 0.222 0.000 1.260 82 I CB 0.857 38.911 38.000 0.090 0.000 1.390 82 I HN 0.643 nan 8.210 nan 0.000 0.475 83 C N 5.969 125.381 119.300 0.188 0.000 2.994 83 C HA 0.207 4.666 4.460 -0.001 0.000 0.250 83 C C 0.712 175.755 174.990 0.088 0.000 1.814 83 C CA -0.577 58.513 59.018 0.120 0.000 1.730 83 C CB -0.801 27.001 27.740 0.104 0.000 3.258 83 C HN 0.629 nan 8.230 nan 0.000 0.472 84 V N 0.204 120.174 119.914 0.094 0.000 3.083 84 V HA 0.821 4.940 4.120 -0.001 0.000 0.306 84 V C 0.845 176.943 176.094 0.007 0.000 1.077 84 V CA 0.150 62.478 62.300 0.046 0.000 1.073 84 V CB 0.153 32.029 31.823 0.088 0.000 1.081 84 V HN 0.426 nan 8.190 nan 0.000 0.474 85 G N 1.129 109.865 108.800 -0.107 0.000 2.491 85 G HA2 0.458 4.418 3.960 -0.001 0.000 0.238 85 G HA3 0.458 4.418 3.960 -0.001 0.000 0.238 85 G C 0.315 175.251 174.900 0.061 0.000 1.277 85 G CA 0.298 45.344 45.100 -0.089 0.000 0.851 85 G HN 1.680 nan 8.290 nan 0.000 0.573 86 T N 0.110 114.713 114.554 0.081 0.000 3.585 86 T HA 0.474 4.824 4.350 -0.001 0.000 0.252 86 T C -2.050 172.720 174.700 0.117 0.000 1.382 86 T CA -1.220 60.959 62.100 0.131 0.000 1.584 86 T CB 1.252 70.188 68.868 0.114 0.000 0.892 86 T HN 0.464 nan 8.240 nan 0.000 0.671 87 P HA 0.396 nan 4.420 nan 0.000 0.275 87 P C -0.167 177.196 177.300 0.105 0.000 1.266 87 P CA -0.349 62.815 63.100 0.107 0.000 0.793 87 P CB 0.731 32.505 31.700 0.123 0.000 1.074 88 S N -0.163 115.586 115.700 0.082 0.000 2.580 88 S HA 0.161 4.631 4.470 -0.001 0.000 0.274 88 S C 0.519 175.157 174.600 0.064 0.000 1.329 88 S CA -0.575 57.667 58.200 0.071 0.000 1.036 88 S CB 0.289 63.523 63.200 0.058 0.000 0.919 88 S HN 0.263 nan 8.310 nan 0.000 0.515 89 K N 1.597 122.028 120.400 0.052 0.000 2.132 89 K HA 0.255 4.575 4.320 -0.001 0.000 0.240 89 K C 1.808 178.427 176.600 0.033 0.000 1.036 89 K CA -0.224 56.086 56.287 0.037 0.000 0.888 89 K CB 0.047 32.563 32.500 0.026 0.000 1.071 89 K HN 0.574 nan 8.250 nan 0.000 0.502 90 K N 1.239 121.654 120.400 0.025 0.000 2.160 90 K HA -0.184 4.135 4.320 -0.001 0.000 0.206 90 K C 1.315 177.927 176.600 0.020 0.000 1.047 90 K CA 2.343 58.643 56.287 0.022 0.000 0.930 90 K CB -1.093 31.417 32.500 0.017 0.000 0.720 90 K HN 0.784 nan 8.250 nan 0.000 0.450 91 N N -1.226 117.485 118.700 0.019 0.000 2.398 91 N HA 0.172 4.912 4.740 -0.001 0.000 0.188 91 N C 1.289 176.811 175.510 0.021 0.000 1.122 91 N CA 1.066 54.126 53.050 0.017 0.000 0.866 91 N CB 0.350 38.845 38.487 0.012 0.000 0.970 91 N HN 0.721 nan 8.380 nan 0.000 0.462 92 G N -0.600 108.216 108.800 0.028 0.000 2.213 92 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.236 92 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.236 92 G C -0.228 174.696 174.900 0.039 0.000 0.991 92 G CA 0.199 45.320 45.100 0.034 0.000 0.629 92 G HN 0.613 nan 8.290 nan 0.000 0.517 93 D N 0.097 120.516 120.400 0.031 0.000 2.360 93 D HA 0.425 5.064 4.640 -0.001 0.000 0.242 93 D C 0.792 177.120 176.300 0.046 0.000 1.184 93 D CA -0.551 53.467 54.000 0.029 0.000 0.930 93 D CB 0.699 41.509 40.800 0.017 0.000 1.161 93 D HN 0.382 nan 8.370 nan 0.000 0.447 94 L N 2.229 123.483 121.223 0.051 0.000 2.410 94 L HA 0.167 4.506 4.340 -0.001 0.000 0.273 94 L C -0.373 176.535 176.870 0.063 0.000 1.144 94 L CA 0.050 54.937 54.840 0.077 0.000 0.863 94 L CB 0.524 42.634 42.059 0.086 0.000 1.140 94 L HN 0.213 nan 8.230 nan 0.000 0.463 95 D N 4.701 125.147 120.400 0.077 0.000 2.339 95 D HA 0.133 4.773 4.640 -0.001 0.000 0.241 95 D C 0.604 176.945 176.300 0.069 0.000 1.183 95 D CA 0.068 54.103 54.000 0.059 0.000 0.859 95 D CB 0.719 41.564 40.800 0.075 0.000 1.067 95 D HN 0.669 nan 8.370 nan 0.000 0.484 96 L N 3.176 124.417 121.223 0.029 0.000 2.592 96 L HA 0.213 4.552 4.340 -0.001 0.000 0.227 96 L C 2.296 179.155 176.870 -0.018 0.000 1.127 96 L CA -0.021 54.837 54.840 0.029 0.000 0.884 96 L CB 0.231 42.300 42.059 0.017 0.000 1.065 96 L HN 0.506 nan 8.230 nan 0.000 0.457 97 G N 0.204 108.940 108.800 -0.106 0.000 2.476 97 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.218 97 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.218 97 G C 1.217 175.965 174.900 -0.253 0.000 1.164 97 G CA 0.978 45.931 45.100 -0.246 0.000 0.768 97 G HN 0.291 nan 8.290 nan 0.000 0.560 98 Y N 0.449 120.750 120.300 0.002 0.000 2.220 98 Y HA 0.036 4.585 4.550 -0.001 0.000 0.291 98 Y C 2.875 178.765 175.900 -0.017 0.000 1.129 98 Y CA 0.269 58.368 58.100 -0.001 0.000 1.161 98 Y CB -0.311 38.161 38.460 0.020 0.000 0.997 98 Y HN 0.050 nan 8.280 nan 0.000 0.522 99 I N 0.594 121.244 120.570 0.133 0.000 2.163 99 I HA -0.294 3.875 4.170 -0.001 0.000 0.243 99 I C 2.051 178.163 176.117 -0.010 0.000 1.085 99 I CA 1.738 63.070 61.300 0.054 0.000 1.347 99 I CB -1.163 36.871 38.000 0.057 0.000 1.044 99 I HN 0.380 nan 8.210 nan 0.000 0.408 100 E N 0.099 120.285 120.200 -0.022 0.000 2.077 100 E HA -0.172 4.177 4.350 -0.001 0.000 0.193 100 E C 2.115 178.667 176.600 -0.080 0.000 0.989 100 E CA 1.827 58.197 56.400 -0.050 0.000 0.800 100 E CB -0.137 29.532 29.700 -0.051 0.000 0.746 100 E HN 0.439 nan 8.360 nan 0.000 0.452 101 T N 0.734 115.239 114.554 -0.081 0.000 2.708 101 T HA -0.136 4.213 4.350 -0.001 0.000 0.266 101 T C 2.081 176.678 174.700 -0.171 0.000 1.037 101 T CA 1.150 63.184 62.100 -0.110 0.000 1.146 101 T CB -0.203 68.622 68.868 -0.072 0.000 0.865 101 T HN -0.023 nan 8.240 nan 0.000 0.435 102 V N 0.864 120.687 119.914 -0.151 0.000 2.407 102 V HA -0.196 3.923 4.120 -0.001 0.000 0.248 102 V C 2.812 178.699 176.094 -0.345 0.000 1.055 102 V CA 1.323 63.452 62.300 -0.286 0.000 1.049 102 V CB -0.783 30.891 31.823 -0.248 0.000 0.662 102 V HN 0.616 nan 8.190 nan 0.000 0.455 103 C N -0.275 118.894 119.300 -0.220 0.000 2.429 103 C HA -0.137 4.322 4.460 -0.001 0.000 0.277 103 C C 2.890 177.772 174.990 -0.180 0.000 1.262 103 C CA 0.890 59.794 59.018 -0.190 0.000 1.733 103 C CB -1.153 26.523 27.740 -0.107 0.000 2.010 103 C HN 0.509 nan 8.230 nan 0.000 0.483 104 R N 0.745 121.151 120.500 -0.157 0.000 2.081 104 R HA -0.134 4.206 4.340 -0.001 0.000 0.235 104 R C 2.134 178.353 176.300 -0.135 0.000 1.131 104 R CA 1.459 57.488 56.100 -0.119 0.000 0.960 104 R CB -0.319 29.915 30.300 -0.109 0.000 0.856 104 R HN 0.663 nan 8.270 nan 0.000 0.436 105 E N 0.506 120.529 120.200 -0.296 0.000 2.031 105 E HA -0.197 4.153 4.350 -0.001 0.000 0.193 105 E C 2.049 178.576 176.600 -0.122 0.000 0.994 105 E CA 1.282 57.404 56.400 -0.464 0.000 0.800 105 E CB -0.133 28.960 29.700 -1.012 0.000 0.752 105 E HN 0.313 nan 8.360 nan 0.000 0.447 106 I N 0.857 121.290 120.570 -0.228 0.000 2.226 106 I HA -0.191 3.979 4.170 -0.001 0.000 0.245 106 I C 2.572 178.602 176.117 -0.145 0.000 1.100 106 I CA 1.144 62.337 61.300 -0.178 0.000 1.374 106 I CB -0.590 37.217 38.000 -0.323 0.000 1.057 106 I HN 0.179 nan 8.210 nan 0.000 0.413 107 G N 0.769 109.472 108.800 -0.161 0.000 2.476 107 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.218 107 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.218 107 G C 1.639 176.511 174.900 -0.046 0.000 1.164 107 G CA 0.815 45.820 45.100 -0.158 0.000 0.768 107 G HN 0.360 nan 8.290 nan 0.000 0.560 108 F N 2.371 122.280 119.950 -0.068 0.000 2.095 108 F HA -0.003 4.523 4.527 -0.001 0.000 0.298 108 F C 2.795 178.605 175.800 0.016 0.000 1.104 108 F CA 1.736 59.738 58.000 0.004 0.000 1.232 108 F CB -0.215 38.833 39.000 0.080 0.000 0.987 108 F HN 0.226 nan 8.300 nan 0.000 0.475 109 A N 0.715 123.665 122.820 0.216 0.000 1.969 109 A HA -0.082 4.238 4.320 -0.001 0.000 0.218 109 A C 2.153 179.678 177.584 -0.099 0.000 1.169 109 A CA 1.526 53.625 52.037 0.104 0.000 0.635 109 A CB -1.370 17.768 19.000 0.229 0.000 0.810 109 A HN 0.658 nan 8.150 nan 0.000 0.445 110 I N -3.454 117.023 120.570 -0.155 0.000 3.578 110 I HA 0.101 4.271 4.170 -0.001 0.000 0.295 110 I C 2.040 178.076 176.117 -0.136 0.000 1.280 110 I CA 0.799 61.997 61.300 -0.171 0.000 1.347 110 I CB -0.264 37.611 38.000 -0.209 0.000 1.051 110 I HN 0.244 nan 8.210 nan 0.000 0.460 111 R N 1.868 122.261 120.500 -0.178 0.000 2.113 111 R HA -0.164 4.175 4.340 -0.001 0.000 0.244 111 R C 1.406 177.630 176.300 -0.126 0.000 1.142 111 R CA 2.149 58.151 56.100 -0.163 0.000 0.953 111 R CB -0.005 30.148 30.300 -0.246 0.000 0.860 111 R HN 0.441 nan 8.270 nan 0.000 0.438 112 E N 0.253 120.365 120.200 -0.148 0.000 2.476 112 E HA 0.015 4.365 4.350 -0.001 0.000 0.196 112 E C -0.358 176.204 176.600 -0.064 0.000 1.029 112 E CA 0.012 56.352 56.400 -0.100 0.000 0.896 112 E CB 0.542 30.172 29.700 -0.116 0.000 1.012 112 E HN 0.230 nan 8.360 nan 0.000 0.475 113 K N 2.115 122.479 120.400 -0.060 0.000 2.285 113 K HA 0.106 4.426 4.320 -0.001 0.000 0.286 113 K C 1.199 177.800 176.600 0.001 0.000 1.072 113 K CA 0.063 56.334 56.287 -0.026 0.000 0.913 113 K CB 0.693 33.175 32.500 -0.029 0.000 1.067 113 K HN -0.074 nan 8.250 nan 0.000 0.479 114 S N 2.886 118.591 115.700 0.009 0.000 2.395 114 S HA -0.068 4.402 4.470 -0.001 0.000 0.225 114 S C 0.107 174.729 174.600 0.036 0.000 1.027 114 S CA 0.281 58.492 58.200 0.019 0.000 0.965 114 S CB -0.104 63.103 63.200 0.012 0.000 0.812 114 S HN 0.654 nan 8.310 nan 0.000 0.482 115 E N 2.034 122.260 120.200 0.043 0.000 2.392 115 E HA 0.240 4.589 4.350 -0.001 0.000 0.264 115 E C 0.083 176.733 176.600 0.084 0.000 1.024 115 E CA -0.117 56.316 56.400 0.055 0.000 0.903 115 E CB 0.288 30.021 29.700 0.055 0.000 0.963 115 E HN 0.332 nan 8.360 nan 0.000 0.432 116 R N 2.348 122.894 120.500 0.077 0.000 2.538 116 R HA -0.013 4.326 4.340 -0.001 0.000 0.282 116 R C -0.635 175.743 176.300 0.130 0.000 1.009 116 R CA 0.154 56.315 56.100 0.100 0.000 1.063 116 R CB 0.150 30.486 30.300 0.060 0.000 0.945 116 R HN 0.573 nan 8.270 nan 0.000 0.414 117 H N 1.151 120.268 119.070 0.078 0.000 2.567 117 H HA 0.399 4.954 4.556 -0.001 0.000 0.345 117 H C -0.982 174.400 175.328 0.090 0.000 1.169 117 H CA -0.102 55.983 56.048 0.062 0.000 1.227 117 H CB 1.917 31.702 29.762 0.039 0.000 1.607 117 H HN 0.540 nan 8.280 nan 0.000 0.534 118 T N 3.146 117.493 114.554 -0.344 0.000 2.848 118 T HA 0.420 4.769 4.350 -0.001 0.000 0.285 118 T C -1.124 173.495 174.700 -0.134 0.000 0.995 118 T CA -0.698 61.315 62.100 -0.145 0.000 0.970 118 T CB 1.042 69.793 68.868 -0.194 0.000 0.976 118 T HN 0.317 nan 8.240 nan 0.000 0.441 119 V N 3.613 123.543 119.914 0.026 0.000 2.448 119 V HA 0.629 4.749 4.120 -0.001 0.000 0.295 119 V C -0.495 175.582 176.094 -0.029 0.000 1.025 119 V CA -0.722 61.591 62.300 0.021 0.000 0.859 119 V CB 1.789 33.665 31.823 0.089 0.000 0.988 119 V HN 0.716 nan 8.190 nan 0.000 0.431 120 V N 5.289 125.146 119.914 -0.095 0.000 2.483 120 V HA 0.412 4.531 4.120 -0.001 0.000 0.297 120 V C -0.262 175.882 176.094 0.084 0.000 1.027 120 V CA -0.682 61.587 62.300 -0.053 0.000 0.855 120 V CB 2.118 33.799 31.823 -0.236 0.000 0.995 120 V HN 0.604 nan 8.190 nan 0.000 0.424 121 V N 6.424 126.399 119.914 0.102 0.000 2.385 121 V HA 0.377 4.497 4.120 -0.001 0.000 0.269 121 V C 1.112 177.287 176.094 0.135 0.000 1.043 121 V CA -0.252 62.117 62.300 0.115 0.000 0.906 121 V CB 0.929 32.800 31.823 0.080 0.000 0.995 121 V HN 0.841 nan 8.190 nan 0.000 0.467 122 R N 1.641 122.236 120.500 0.157 0.000 2.254 122 R HA 0.162 4.502 4.340 -0.001 0.000 0.193 122 R C 0.777 177.093 176.300 0.025 0.000 0.929 122 R CA -0.041 56.114 56.100 0.091 0.000 1.038 122 R CB 0.339 30.701 30.300 0.104 0.000 1.009 122 R HN 0.602 nan 8.270 nan 0.000 0.512 123 S N 1.704 117.436 115.700 0.053 0.000 2.558 123 S HA 0.006 4.476 4.470 -0.001 0.000 0.288 123 S C 0.191 174.798 174.600 0.012 0.000 1.318 123 S CA 0.348 58.568 58.200 0.033 0.000 1.056 123 S CB 1.040 64.277 63.200 0.062 0.000 0.853 123 S HN 0.089 nan 8.310 nan 0.000 0.505 124 T N 3.714 118.252 114.554 -0.028 0.000 2.769 124 T HA 0.391 4.740 4.350 -0.001 0.000 0.293 124 T C 0.138 174.877 174.700 0.064 0.000 0.931 124 T CA -0.408 61.648 62.100 -0.074 0.000 1.139 124 T CB -0.371 68.356 68.868 -0.236 0.000 0.881 124 T HN 0.541 nan 8.240 nan 0.000 0.532 125 V N 2.482 122.500 119.914 0.173 0.000 2.876 125 V HA 0.638 4.757 4.120 -0.001 0.000 0.312 125 V C -0.193 176.133 176.094 0.387 0.000 1.085 125 V CA -1.467 60.987 62.300 0.257 0.000 0.945 125 V CB 1.377 33.286 31.823 0.144 0.000 1.017 125 V HN 0.704 nan 8.190 nan 0.000 0.428 126 L N 3.400 124.762 121.223 0.231 0.000 2.483 126 L HA 0.316 4.655 4.340 -0.001 0.000 0.275 126 L C -2.018 174.868 176.870 0.027 0.000 1.220 126 L CA -1.159 53.659 54.840 -0.037 0.000 0.833 126 L CB 0.376 42.324 42.059 -0.185 0.000 1.102 126 L HN 0.473 nan 8.230 nan 0.000 0.490 127 P HA -0.000 nan 4.420 nan 0.000 0.262 127 P C 0.670 177.978 177.300 0.013 0.000 1.182 127 P CA 1.008 64.123 63.100 0.024 0.000 0.761 127 P CB 0.622 32.327 31.700 0.008 0.000 0.795 128 G N 2.075 110.893 108.800 0.029 0.000 2.232 128 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.226 128 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.226 128 G C 1.236 176.153 174.900 0.029 0.000 0.996 128 G CA 0.475 45.589 45.100 0.023 0.000 0.626 128 G HN 0.446 nan 8.290 nan 0.000 0.509 129 T N 0.835 115.412 114.554 0.039 0.000 2.708 129 T HA -0.052 4.298 4.350 -0.001 0.000 0.266 129 T C 2.479 177.206 174.700 0.045 0.000 1.037 129 T CA 1.901 64.027 62.100 0.043 0.000 1.146 129 T CB -0.232 68.672 68.868 0.061 0.000 0.865 129 T HN 0.287 nan 8.240 nan 0.000 0.435 130 V N 2.504 122.449 119.914 0.052 0.000 2.343 130 V HA -0.152 3.967 4.120 -0.001 0.000 0.247 130 V C 2.371 178.494 176.094 0.047 0.000 1.051 130 V CA 1.467 63.798 62.300 0.053 0.000 1.036 130 V CB -0.522 31.336 31.823 0.057 0.000 0.654 130 V HN 0.466 nan 8.190 nan 0.000 0.451 131 N N 0.580 119.303 118.700 0.039 0.000 2.270 131 N HA -0.070 4.669 4.740 -0.001 0.000 0.181 131 N C 1.402 176.929 175.510 0.029 0.000 1.016 131 N CA 1.076 54.145 53.050 0.031 0.000 0.870 131 N CB -0.262 38.239 38.487 0.025 0.000 0.979 131 N HN 0.494 nan 8.380 nan 0.000 0.431 132 N N -0.500 118.217 118.700 0.027 0.000 2.250 132 N HA 0.107 4.846 4.740 -0.001 0.000 0.190 132 N C 1.167 176.690 175.510 0.022 0.000 1.116 132 N CA 0.175 53.238 53.050 0.022 0.000 0.881 132 N CB 1.188 39.684 38.487 0.016 0.000 1.006 132 N HN 0.030 nan 8.380 nan 0.000 0.491 133 V N -0.679 119.251 119.914 0.026 0.000 3.161 133 V HA 0.083 4.202 4.120 -0.001 0.000 0.221 133 V C 2.089 178.198 176.094 0.025 0.000 1.296 133 V CA 0.220 62.533 62.300 0.021 0.000 1.306 133 V CB -0.027 31.807 31.823 0.019 0.000 1.171 133 V HN -0.178 nan 8.190 nan 0.000 0.513 134 V N 0.810 120.744 119.914 0.033 0.000 2.255 134 V HA -0.272 3.847 4.120 -0.001 0.000 0.247 134 V C 2.221 178.355 176.094 0.067 0.000 1.051 134 V CA 2.644 64.966 62.300 0.037 0.000 1.018 134 V CB -0.479 31.373 31.823 0.049 0.000 0.641 134 V HN 0.424 nan 8.190 nan 0.000 0.445 135 I N -0.028 120.597 120.570 0.092 0.000 2.142 135 I HA -0.148 4.021 4.170 -0.001 0.000 0.240 135 I C -0.069 176.123 176.117 0.126 0.000 1.078 135 I CA 1.716 63.102 61.300 0.143 0.000 1.343 135 I CB -1.461 36.598 38.000 0.098 0.000 1.046 135 I HN 0.352 nan 8.210 nan 0.000 0.405 136 P HA -0.179 nan 4.420 nan 0.000 0.216 136 P C 1.940 179.268 177.300 0.046 0.000 1.153 136 P CA 1.579 64.713 63.100 0.057 0.000 0.858 136 P CB -0.023 31.698 31.700 0.035 0.000 0.789 137 L N -1.466 119.774 121.223 0.028 0.000 2.056 137 L HA -0.142 4.197 4.340 -0.001 0.000 0.207 137 L C 2.491 179.353 176.870 -0.014 0.000 1.078 137 L CA 1.368 56.208 54.840 0.001 0.000 0.749 137 L CB -0.734 41.313 42.059 -0.021 0.000 0.901 137 L HN -0.078 nan 8.230 nan 0.000 0.433 138 I N -0.506 120.053 120.570 -0.018 0.000 2.252 138 I HA -0.244 3.926 4.170 -0.001 0.000 0.245 138 I C 2.418 178.498 176.117 -0.062 0.000 1.102 138 I CA 1.223 62.450 61.300 -0.122 0.000 1.385 138 I CB -0.343 37.501 38.000 -0.260 0.000 1.064 138 I HN 0.311 nan 8.210 nan 0.000 0.414 139 E N 0.939 121.208 120.200 0.116 0.000 2.051 139 E HA -0.235 4.114 4.350 -0.001 0.000 0.192 139 E C 1.702 178.346 176.600 0.073 0.000 0.991 139 E CA 1.443 57.942 56.400 0.166 0.000 0.799 139 E CB -0.112 29.695 29.700 0.180 0.000 0.748 139 E HN 0.449 nan 8.360 nan 0.000 0.449 140 D N 0.110 120.537 120.400 0.046 0.000 2.144 140 D HA -0.118 4.522 4.640 -0.001 0.000 0.199 140 D C 1.898 178.210 176.300 0.021 0.000 0.984 140 D CA 0.799 54.817 54.000 0.030 0.000 0.834 140 D CB -0.331 40.483 40.800 0.023 0.000 0.955 140 D HN 0.207 nan 8.370 nan 0.000 0.465 141 C N 0.219 119.524 119.300 0.008 0.000 2.464 141 C HA 0.022 4.481 4.460 -0.001 0.000 0.278 141 C C 2.726 177.707 174.990 -0.016 0.000 1.375 141 C CA 1.013 60.040 59.018 0.016 0.000 1.761 141 C CB -0.741 27.012 27.740 0.021 0.000 1.944 141 C HN 0.402 nan 8.230 nan 0.000 0.509 142 S N -0.488 115.187 115.700 -0.041 0.000 2.497 142 S HA 0.314 4.783 4.470 -0.001 0.000 0.218 142 S C 1.566 176.157 174.600 -0.016 0.000 1.023 142 S CA 1.051 59.212 58.200 -0.064 0.000 0.913 142 S CB -0.253 62.872 63.200 -0.124 0.000 0.800 142 S HN 0.998 nan 8.310 nan 0.000 0.505 143 G N 1.320 110.132 108.800 0.020 0.000 2.179 143 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.257 143 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.257 143 G C -0.142 174.796 174.900 0.063 0.000 1.010 143 G CA 0.652 45.771 45.100 0.032 0.000 0.736 143 G HN 0.649 nan 8.290 nan 0.000 0.513 144 K N -0.946 119.529 120.400 0.124 0.000 2.433 144 K HA 0.680 5.000 4.320 -0.001 0.000 0.252 144 K C -0.478 176.290 176.600 0.279 0.000 1.015 144 K CA -1.162 55.245 56.287 0.199 0.000 0.860 144 K CB 1.407 34.074 32.500 0.278 0.000 1.359 144 K HN -0.061 nan 8.250 nan 0.000 0.452 145 K N 0.918 121.400 120.400 0.137 0.000 2.221 145 K HA 0.448 4.767 4.320 -0.001 0.000 0.258 145 K C -0.633 175.652 176.600 -0.524 0.000 0.944 145 K CA -0.662 55.594 56.287 -0.051 0.000 0.823 145 K CB 1.889 34.351 32.500 -0.064 0.000 1.113 145 K HN 0.802 nan 8.250 nan 0.000 0.431 146 A N 1.034 123.434 122.820 -0.701 0.000 2.498 146 A HA 0.448 4.768 4.320 -0.001 0.000 0.239 146 A C 1.322 178.552 177.584 -0.590 0.000 1.068 146 A CA 1.189 52.553 52.037 -1.123 0.000 0.766 146 A CB -0.438 18.269 19.000 -0.487 0.000 1.003 146 A HN 0.901 nan 8.150 nan 0.000 0.497 147 G N 0.706 109.189 108.800 -0.528 0.000 3.444 147 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.222 147 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.222 147 G C 1.202 175.981 174.900 -0.202 0.000 1.358 147 G CA 0.981 45.926 45.100 -0.259 0.000 0.880 147 G HN 1.331 nan 8.290 nan 0.000 0.555 148 V N 1.173 120.965 119.914 -0.203 0.000 2.255 148 V HA -0.020 4.099 4.120 -0.001 0.000 0.243 148 V C 2.369 178.408 176.094 -0.091 0.000 1.038 148 V CA 2.816 65.045 62.300 -0.119 0.000 1.008 148 V CB -0.421 31.346 31.823 -0.092 0.000 0.645 148 V HN 0.530 nan 8.190 nan 0.000 0.449 149 D N -0.862 119.470 120.400 -0.112 0.000 2.323 149 D HA 0.142 4.782 4.640 -0.001 0.000 0.218 149 D C 0.349 176.721 176.300 0.121 0.000 0.973 149 D CA 0.563 54.574 54.000 0.018 0.000 0.890 149 D CB 0.443 41.301 40.800 0.097 0.000 1.011 149 D HN 0.551 nan 8.370 nan 0.000 0.499 150 F N -0.245 119.715 119.950 0.017 0.000 2.565 150 F HA 0.710 5.237 4.527 -0.001 0.000 0.313 150 F C 0.227 176.033 175.800 0.008 0.000 1.091 150 F CA -1.640 56.377 58.000 0.027 0.000 0.915 150 F CB 1.146 40.177 39.000 0.051 0.000 1.208 150 F HN -0.214 nan 8.300 nan 0.000 0.453 151 G N 1.450 110.330 108.800 0.132 0.000 2.483 151 G HA2 0.517 4.477 3.960 -0.001 0.000 0.248 151 G HA3 0.517 4.477 3.960 -0.001 0.000 0.248 151 G C -1.420 173.542 174.900 0.103 0.000 1.248 151 G CA -0.585 44.533 45.100 0.030 0.000 0.838 151 G HN 0.748 nan 8.290 nan 0.000 0.566 152 V N 0.942 120.870 119.914 0.023 0.000 2.733 152 V HA 0.874 4.994 4.120 -0.001 0.000 0.306 152 V C 0.448 176.557 176.094 0.026 0.000 1.084 152 V CA -0.019 62.320 62.300 0.064 0.000 0.905 152 V CB 1.660 33.530 31.823 0.079 0.000 1.010 152 V HN 1.268 nan 8.190 nan 0.000 0.424 153 G N 1.787 110.607 108.800 0.033 0.000 2.682 153 G HA2 0.690 4.650 3.960 -0.001 0.000 0.290 153 G HA3 0.690 4.650 3.960 -0.001 0.000 0.290 153 G C -1.256 173.677 174.900 0.055 0.000 1.425 153 G CA -0.471 44.652 45.100 0.037 0.000 0.807 153 G HN 0.522 nan 8.290 nan 0.000 0.482 154 T N 0.541 115.135 114.554 0.066 0.000 2.856 154 T HA 0.568 4.917 4.350 -0.001 0.000 0.283 154 T C -0.333 174.420 174.700 0.088 0.000 1.008 154 T CA -0.674 61.471 62.100 0.075 0.000 0.997 154 T CB 1.249 70.156 68.868 0.065 0.000 0.992 154 T HN 0.549 nan 8.240 nan 0.000 0.454 155 N N 3.407 122.164 118.700 0.096 0.000 2.710 155 N HA 0.239 4.978 4.740 -0.001 0.000 0.244 155 N C -3.052 172.439 175.510 -0.031 0.000 1.321 155 N CA -1.386 51.717 53.050 0.089 0.000 0.758 155 N CB 1.346 39.987 38.487 0.257 0.000 1.284 155 N HN 0.216 nan 8.380 nan 0.000 0.530 156 P HA -0.010 nan 4.420 nan 0.000 0.267 156 P C -0.834 176.092 177.300 -0.623 0.000 1.201 156 P CA 0.440 63.325 63.100 -0.358 0.000 0.775 156 P CB 0.536 31.988 31.700 -0.414 0.000 0.854 157 E N 0.793 120.627 120.200 -0.610 0.000 2.207 157 E HA 0.499 4.848 4.350 -0.001 0.000 0.270 157 E C -1.089 175.098 176.600 -0.688 0.000 0.927 157 E CA -0.445 55.622 56.400 -0.555 0.000 0.799 157 E CB 0.597 30.165 29.700 -0.220 0.000 1.172 157 E HN 0.216 nan 8.360 nan 0.000 0.404 158 F N 1.001 120.937 119.950 -0.023 0.000 2.735 158 F HA 0.317 4.844 4.527 -0.001 0.000 0.308 158 F C -0.258 175.564 175.800 0.037 0.000 1.112 158 F CA -0.652 57.358 58.000 0.017 0.000 1.235 158 F CB 0.128 39.138 39.000 0.017 0.000 1.027 158 F HN 0.267 nan 8.300 nan 0.000 0.528 159 L N 1.638 122.939 121.223 0.129 0.000 2.456 159 L HA 0.258 4.597 4.340 -0.001 0.000 0.272 159 L C 0.448 177.386 176.870 0.113 0.000 1.189 159 L CA 0.100 55.013 54.840 0.122 0.000 0.846 159 L CB 0.339 42.463 42.059 0.108 0.000 1.111 159 L HN 0.105 nan 8.230 nan 0.000 0.475 160 R N 2.122 122.685 120.500 0.104 0.000 2.393 160 R HA 0.306 4.646 4.340 -0.001 0.000 0.310 160 R C -0.574 175.771 176.300 0.076 0.000 0.968 160 R CA -0.767 55.380 56.100 0.078 0.000 0.867 160 R CB 1.386 31.722 30.300 0.060 0.000 1.124 160 R HN 0.551 nan 8.270 nan 0.000 0.450 161 E N 1.154 121.389 120.200 0.060 0.000 2.414 161 E HA -0.086 4.264 4.350 -0.001 0.000 0.263 161 E C 0.315 176.954 176.600 0.065 0.000 1.000 161 E CA 0.963 57.408 56.400 0.075 0.000 0.914 161 E CB 0.635 30.342 29.700 0.011 0.000 0.948 161 E HN 0.870 nan 8.360 nan 0.000 0.444 162 S N 0.635 116.387 115.700 0.087 0.000 2.044 162 S HA -0.218 4.252 4.470 -0.001 0.000 0.248 162 S C 0.725 175.363 174.600 0.063 0.000 1.146 162 S CA 1.244 59.485 58.200 0.068 0.000 1.370 162 S CB -1.742 61.487 63.200 0.047 0.000 1.698 162 S HN 0.747 nan 8.310 nan 0.000 0.578 163 T N -1.768 112.828 114.554 0.070 0.000 3.393 163 T HA 0.830 5.179 4.350 -0.001 0.000 0.298 163 T C 1.383 176.142 174.700 0.098 0.000 1.004 163 T CA 0.734 62.880 62.100 0.076 0.000 0.956 163 T CB 0.536 69.444 68.868 0.067 0.000 1.182 163 T HN 1.207 nan 8.240 nan 0.000 0.497 164 A N 1.704 124.584 122.820 0.099 0.000 1.898 164 A HA 0.184 4.503 4.320 -0.001 0.000 0.216 164 A C 2.051 179.717 177.584 0.136 0.000 1.181 164 A CA 1.056 53.163 52.037 0.117 0.000 0.620 164 A CB -0.647 18.418 19.000 0.109 0.000 0.819 164 A HN 0.604 nan 8.150 nan 0.000 0.442 165 I N -0.030 120.602 120.570 0.103 0.000 2.179 165 I HA -0.247 3.923 4.170 -0.001 0.000 0.242 165 I C 3.120 179.330 176.117 0.155 0.000 1.088 165 I CA 1.712 63.070 61.300 0.097 0.000 1.357 165 I CB -0.399 37.628 38.000 0.045 0.000 1.051 165 I HN 0.424 nan 8.210 nan 0.000 0.409 166 K N 0.270 120.769 120.400 0.166 0.000 2.063 166 K HA -0.234 4.085 4.320 -0.001 0.000 0.208 166 K C 1.663 178.423 176.600 0.266 0.000 1.048 166 K CA 2.150 58.586 56.287 0.249 0.000 0.928 166 K CB -1.064 31.561 32.500 0.209 0.000 0.713 166 K HN 0.334 nan 8.250 nan 0.000 0.442 167 D N -1.295 119.224 120.400 0.198 0.000 2.178 167 D HA -0.084 4.556 4.640 -0.001 0.000 0.202 167 D C 1.742 178.134 176.300 0.154 0.000 0.974 167 D CA 1.059 55.163 54.000 0.173 0.000 0.841 167 D CB -0.298 40.589 40.800 0.144 0.000 0.953 167 D HN 0.594 nan 8.370 nan 0.000 0.478 168 Y N 1.829 122.159 120.300 0.050 0.000 2.200 168 Y HA -0.157 4.392 4.550 -0.001 0.000 0.290 168 Y C 1.641 177.514 175.900 -0.044 0.000 1.137 168 Y CA 1.444 59.552 58.100 0.013 0.000 1.163 168 Y CB -0.012 38.451 38.460 0.004 0.000 0.988 168 Y HN -0.168 nan 8.280 nan 0.000 0.518 169 D N -0.604 119.883 120.400 0.145 0.000 2.178 169 D HA -0.116 4.523 4.640 -0.001 0.000 0.202 169 D C -0.102 175.819 176.300 -0.632 0.000 0.974 169 D CA 1.416 55.264 54.000 -0.253 0.000 0.841 169 D CB -0.140 40.394 40.800 -0.443 0.000 0.953 169 D HN 0.272 nan 8.370 nan 0.000 0.478 170 F N 0.848 120.841 119.950 0.071 0.000 2.584 170 F HA 0.292 4.818 4.527 -0.001 0.000 0.328 170 F C -2.155 173.653 175.800 0.014 0.000 1.407 170 F CA -2.010 56.011 58.000 0.035 0.000 1.145 170 F CB 1.125 40.146 39.000 0.036 0.000 1.440 170 F HN -0.235 nan 8.300 nan 0.000 0.580 171 P HA 0.256 nan 4.420 nan 0.000 0.276 171 P C -2.092 175.229 177.300 0.037 0.000 1.252 171 P CA -1.290 61.838 63.100 0.047 0.000 0.802 171 P CB 1.191 32.868 31.700 -0.037 0.000 1.035 172 P HA 0.047 nan 4.420 nan 0.000 0.222 172 P C 0.501 177.761 177.300 -0.068 0.000 1.153 172 P CA 1.447 64.519 63.100 -0.047 0.000 0.798 172 P CB 0.091 31.724 31.700 -0.112 0.000 0.796 173 M N -4.855 114.699 119.600 -0.076 0.000 2.755 173 M HA 0.400 4.879 4.480 -0.001 0.000 0.276 173 M C -1.948 174.343 176.300 -0.015 0.000 1.129 173 M CA -0.622 54.641 55.300 -0.061 0.000 0.832 173 M CB 1.560 34.102 32.600 -0.098 0.000 1.700 173 M HN -0.496 nan 8.290 nan 0.000 0.518 174 T N 1.860 116.388 114.554 -0.044 0.000 2.770 174 T HA 0.642 4.991 4.350 -0.001 0.000 0.283 174 T C -0.790 173.912 174.700 0.003 0.000 0.988 174 T CA -0.492 61.542 62.100 -0.110 0.000 0.957 174 T CB 1.580 70.289 68.868 -0.266 0.000 0.930 174 T HN 0.465 nan 8.240 nan 0.000 0.443 175 V N 5.411 125.373 119.914 0.080 0.000 2.417 175 V HA 0.529 4.649 4.120 -0.001 0.000 0.291 175 V C -0.217 175.914 176.094 0.062 0.000 1.024 175 V CA -0.745 61.618 62.300 0.105 0.000 0.861 175 V CB 1.380 33.337 31.823 0.223 0.000 0.985 175 V HN 0.792 nan 8.190 nan 0.000 0.436 176 I N 3.744 124.355 120.570 0.068 0.000 2.436 176 I HA 0.563 4.733 4.170 -0.001 0.000 0.289 176 I C 0.668 176.825 176.117 0.067 0.000 1.010 176 I CA -0.365 60.982 61.300 0.078 0.000 1.098 176 I CB 1.963 40.017 38.000 0.091 0.000 1.266 176 I HN 0.711 nan 8.210 nan 0.000 0.434 177 G N 4.742 113.582 108.800 0.066 0.000 2.329 177 G HA2 0.423 4.383 3.960 -0.001 0.000 0.309 177 G HA3 0.423 4.383 3.960 -0.001 0.000 0.309 177 G C -0.797 174.132 174.900 0.049 0.000 1.110 177 G CA -0.259 44.876 45.100 0.057 0.000 0.923 177 G HN 0.666 nan 8.290 nan 0.000 0.430 178 E N 2.432 122.655 120.200 0.039 0.000 2.171 178 E HA 0.451 4.801 4.350 -0.001 0.000 0.271 178 E C 0.022 176.632 176.600 0.017 0.000 0.916 178 E CA -0.781 55.636 56.400 0.028 0.000 0.774 178 E CB 1.746 31.463 29.700 0.027 0.000 1.128 178 E HN 0.330 nan 8.360 nan 0.000 0.403 179 L N 4.425 125.651 121.223 0.004 0.000 2.546 179 L HA 0.249 4.588 4.340 -0.001 0.000 0.185 179 L C -0.172 176.685 176.870 -0.022 0.000 1.247 179 L CA 0.503 55.336 54.840 -0.012 0.000 0.848 179 L CB 0.117 42.160 42.059 -0.026 0.000 1.133 179 L HN 0.676 nan 8.230 nan 0.000 0.504 180 D N 0.057 120.437 120.400 -0.034 0.000 2.256 180 D HA 0.017 4.657 4.640 -0.001 0.000 0.250 180 D C 0.407 176.696 176.300 -0.017 0.000 1.093 180 D CA -0.321 53.657 54.000 -0.035 0.000 0.882 180 D CB 1.678 42.445 40.800 -0.056 0.000 1.185 180 D HN 0.255 nan 8.370 nan 0.000 0.437 181 K N 1.480 121.873 120.400 -0.012 0.000 2.103 181 K HA -0.284 4.035 4.320 -0.001 0.000 0.207 181 K C 2.478 179.077 176.600 -0.003 0.000 1.048 181 K CA 2.049 58.334 56.287 -0.002 0.000 0.930 181 K CB -0.258 32.242 32.500 -0.001 0.000 0.716 181 K HN 0.572 nan 8.250 nan 0.000 0.444 182 Q N 0.203 119.997 119.800 -0.010 0.000 2.077 182 Q HA -0.204 4.136 4.340 -0.001 0.000 0.206 182 Q C 2.108 178.100 176.000 -0.013 0.000 0.989 182 Q CA 2.529 58.325 55.803 -0.011 0.000 0.853 182 Q CB -1.610 27.118 28.738 -0.017 0.000 0.907 182 Q HN 0.532 nan 8.270 nan 0.000 0.418 183 T N -0.253 114.291 114.554 -0.017 0.000 2.777 183 T HA 0.014 4.363 4.350 -0.001 0.000 0.266 183 T C 2.098 176.798 174.700 -0.000 0.000 1.040 183 T CA 1.227 63.314 62.100 -0.021 0.000 1.141 183 T CB -0.674 68.181 68.868 -0.023 0.000 0.868 183 T HN 0.755 nan 8.240 nan 0.000 0.444 184 G N 1.638 110.446 108.800 0.014 0.000 2.440 184 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.218 184 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.218 184 G C 1.292 176.216 174.900 0.041 0.000 1.154 184 G CA 0.995 46.117 45.100 0.036 0.000 0.767 184 G HN 0.380 nan 8.290 nan 0.000 0.552 185 D N 0.096 120.510 120.400 0.025 0.000 2.117 185 D HA -0.096 4.543 4.640 -0.001 0.000 0.197 185 D C 2.393 178.706 176.300 0.023 0.000 0.987 185 D CA 0.466 54.481 54.000 0.025 0.000 0.829 185 D CB -0.352 40.457 40.800 0.015 0.000 0.961 185 D HN 0.328 nan 8.370 nan 0.000 0.460 186 L N 0.213 121.439 121.223 0.005 0.000 2.017 186 L HA -0.158 4.182 4.340 -0.001 0.000 0.208 186 L C 2.236 179.102 176.870 -0.007 0.000 1.073 186 L CA 1.087 55.920 54.840 -0.012 0.000 0.745 186 L CB -0.161 41.870 42.059 -0.045 0.000 0.894 186 L HN 0.013 nan 8.230 nan 0.000 0.432 187 L N -0.300 120.937 121.223 0.024 0.000 2.046 187 L HA -0.228 4.112 4.340 -0.001 0.000 0.208 187 L C 2.599 179.550 176.870 0.135 0.000 1.077 187 L CA 1.517 56.408 54.840 0.084 0.000 0.747 187 L CB -0.634 41.539 42.059 0.190 0.000 0.896 187 L HN 0.331 nan 8.230 nan 0.000 0.432 188 E N -0.209 120.068 120.200 0.129 0.000 2.085 188 E HA -0.297 4.053 4.350 -0.001 0.000 0.194 188 E C 2.038 178.699 176.600 0.100 0.000 0.994 188 E CA 1.469 57.950 56.400 0.135 0.000 0.801 188 E CB -0.041 29.713 29.700 0.089 0.000 0.743 188 E HN 0.357 nan 8.360 nan 0.000 0.453 189 E N 1.212 121.444 120.200 0.055 0.000 2.077 189 E HA -0.145 4.205 4.350 -0.001 0.000 0.193 189 E C 1.865 178.483 176.600 0.030 0.000 0.989 189 E CA 0.901 57.327 56.400 0.043 0.000 0.800 189 E CB -0.216 29.504 29.700 0.033 0.000 0.746 189 E HN 0.246 nan 8.360 nan 0.000 0.452 190 I N -0.430 120.109 120.570 -0.052 0.000 2.264 190 I HA -0.262 3.908 4.170 -0.001 0.000 0.248 190 I C 1.151 177.162 176.117 -0.177 0.000 1.111 190 I CA 1.138 62.332 61.300 -0.177 0.000 1.382 190 I CB -0.120 37.599 38.000 -0.468 0.000 1.060 190 I HN 0.177 nan 8.210 nan 0.000 0.418 191 Y N -0.449 119.900 120.300 0.080 0.000 2.458 191 Y HA 0.169 4.718 4.550 -0.001 0.000 0.256 191 Y C 2.124 178.043 175.900 0.032 0.000 1.159 191 Y CA -0.302 57.822 58.100 0.040 0.000 1.261 191 Y CB -0.440 38.026 38.460 0.010 0.000 1.119 191 Y HN 0.007 nan 8.280 nan 0.000 0.524 192 R N 1.329 121.925 120.500 0.159 0.000 2.105 192 R HA -0.205 4.135 4.340 -0.001 0.000 0.239 192 R C 2.100 178.452 176.300 0.086 0.000 1.135 192 R CA 1.887 58.051 56.100 0.107 0.000 0.967 192 R CB 0.010 30.356 30.300 0.076 0.000 0.861 192 R HN 0.426 nan 8.270 nan 0.000 0.442 193 E N 0.838 121.089 120.200 0.085 0.000 2.478 193 E HA 0.051 4.400 4.350 -0.001 0.000 0.198 193 E C 0.733 177.363 176.600 0.049 0.000 1.046 193 E CA 0.548 56.984 56.400 0.060 0.000 0.870 193 E CB -0.334 29.396 29.700 0.051 0.000 0.818 193 E HN 0.350 nan 8.360 nan 0.000 0.527 194 L N 1.278 122.538 121.223 0.061 0.000 2.380 194 L HA 0.217 4.556 4.340 -0.001 0.000 0.273 194 L C 0.191 177.083 176.870 0.036 0.000 1.138 194 L CA -0.577 54.276 54.840 0.022 0.000 0.832 194 L CB 1.309 43.375 42.059 0.011 0.000 1.124 194 L HN 0.109 nan 8.230 nan 0.000 0.454 195 D N 3.158 123.589 120.400 0.052 0.000 2.608 195 D HA 0.480 5.119 4.640 -0.001 0.000 0.224 195 D C -0.496 175.846 176.300 0.070 0.000 1.123 195 D CA 0.213 54.262 54.000 0.081 0.000 1.030 195 D CB 0.141 41.025 40.800 0.141 0.000 1.093 195 D HN 0.604 nan 8.370 nan 0.000 0.497 196 A N 2.652 125.495 122.820 0.038 0.000 2.597 196 A HA 0.595 4.914 4.320 -0.001 0.000 0.292 196 A C -2.760 174.828 177.584 0.008 0.000 1.057 196 A CA -1.158 50.890 52.037 0.018 0.000 0.674 196 A CB 0.861 19.863 19.000 0.004 0.000 1.278 196 A HN 0.231 nan 8.150 nan 0.000 0.416 197 P HA 0.524 nan 4.420 nan 0.000 0.272 197 P C -0.864 176.435 177.300 -0.003 0.000 1.223 197 P CA 0.113 63.211 63.100 -0.002 0.000 0.784 197 P CB 0.410 32.102 31.700 -0.013 0.000 0.923 198 I N 2.495 123.071 120.570 0.011 0.000 2.362 198 I HA 0.374 4.543 4.170 -0.001 0.000 0.289 198 I C 0.113 176.242 176.117 0.020 0.000 0.994 198 I CA -0.641 60.671 61.300 0.020 0.000 1.158 198 I CB 1.067 39.095 38.000 0.046 0.000 1.315 198 I HN 0.113 nan 8.210 nan 0.000 0.451 199 I N 6.649 127.232 120.570 0.022 0.000 2.382 199 I HA 0.415 4.585 4.170 -0.001 0.000 0.286 199 I C -0.213 175.925 176.117 0.036 0.000 1.002 199 I CA -0.557 60.756 61.300 0.022 0.000 1.135 199 I CB 1.382 39.392 38.000 0.016 0.000 1.288 199 I HN 0.458 nan 8.210 nan 0.000 0.448 200 R N 6.085 126.604 120.500 0.033 0.000 2.338 200 R HA 0.615 4.955 4.340 -0.001 0.000 0.317 200 R C -0.692 175.628 176.300 0.033 0.000 0.968 200 R CA -0.862 55.261 56.100 0.038 0.000 0.849 200 R CB 1.745 32.067 30.300 0.037 0.000 1.128 200 R HN 0.400 nan 8.270 nan 0.000 0.448 201 K N 0.610 121.033 120.400 0.039 0.000 2.430 201 K HA 0.324 4.644 4.320 -0.001 0.000 0.268 201 K C -0.214 176.410 176.600 0.040 0.000 1.043 201 K CA -0.722 55.588 56.287 0.037 0.000 0.899 201 K CB 1.456 33.981 32.500 0.041 0.000 1.472 201 K HN 0.670 nan 8.250 nan 0.000 0.451 202 T N -2.170 112.408 114.554 0.039 0.000 2.813 202 T HA 0.124 4.473 4.350 -0.001 0.000 0.297 202 T C 1.614 176.341 174.700 0.045 0.000 1.036 202 T CA -0.566 61.557 62.100 0.038 0.000 1.044 202 T CB 0.453 69.343 68.868 0.038 0.000 0.993 202 T HN 0.150 nan 8.240 nan 0.000 0.535 203 V N 1.575 121.514 119.914 0.042 0.000 2.252 203 V HA -0.182 3.937 4.120 -0.001 0.000 0.249 203 V C 2.905 179.033 176.094 0.057 0.000 1.056 203 V CA 2.195 64.524 62.300 0.049 0.000 1.022 203 V CB -0.903 30.946 31.823 0.043 0.000 0.641 203 V HN 0.943 nan 8.190 nan 0.000 0.445 204 E N -0.359 119.872 120.200 0.052 0.000 2.110 204 E HA -0.163 4.186 4.350 -0.001 0.000 0.193 204 E C 2.265 178.904 176.600 0.065 0.000 0.988 204 E CA 1.427 57.860 56.400 0.056 0.000 0.804 204 E CB -0.200 29.527 29.700 0.045 0.000 0.745 204 E HN 0.489 nan 8.360 nan 0.000 0.458 205 V N 1.510 121.461 119.914 0.061 0.000 2.343 205 V HA -0.264 3.855 4.120 -0.001 0.000 0.247 205 V C 2.401 178.542 176.094 0.078 0.000 1.051 205 V CA 1.819 64.158 62.300 0.064 0.000 1.036 205 V CB -0.710 31.145 31.823 0.053 0.000 0.654 205 V HN 0.281 nan 8.190 nan 0.000 0.451 206 A N -0.325 122.542 122.820 0.077 0.000 1.902 206 A HA -0.267 4.052 4.320 -0.001 0.000 0.217 206 A C 2.155 179.804 177.584 0.107 0.000 1.181 206 A CA 2.015 54.105 52.037 0.090 0.000 0.623 206 A CB -0.509 18.537 19.000 0.076 0.000 0.818 206 A HN 0.627 nan 8.150 nan 0.000 0.443 207 E N -1.412 118.855 120.200 0.111 0.000 2.058 207 E HA -0.257 4.093 4.350 -0.001 0.000 0.194 207 E C 1.994 178.730 176.600 0.227 0.000 0.997 207 E CA 1.673 58.168 56.400 0.159 0.000 0.801 207 E CB -0.255 29.529 29.700 0.140 0.000 0.746 207 E HN 0.587 nan 8.360 nan 0.000 0.450 208 M N 0.613 120.312 119.600 0.165 0.000 2.159 208 M HA -0.104 4.375 4.480 -0.001 0.000 0.263 208 M C 1.889 178.292 176.300 0.172 0.000 1.063 208 M CA 1.353 56.752 55.300 0.165 0.000 1.110 208 M CB -0.087 32.572 32.600 0.098 0.000 1.374 208 M HN 0.063 nan 8.290 nan 0.000 0.411 209 I N -0.300 120.353 120.570 0.139 0.000 2.163 209 I HA -0.339 3.830 4.170 -0.001 0.000 0.243 209 I C 2.315 178.532 176.117 0.166 0.000 1.085 209 I CA 1.406 62.784 61.300 0.129 0.000 1.347 209 I CB -0.528 37.548 38.000 0.126 0.000 1.044 209 I HN 0.261 nan 8.210 nan 0.000 0.408 210 K N 0.770 121.275 120.400 0.174 0.000 2.032 210 K HA -0.223 4.097 4.320 -0.001 0.000 0.209 210 K C 2.017 178.626 176.600 0.015 0.000 1.048 210 K CA 1.940 58.296 56.287 0.115 0.000 0.927 210 K CB -0.761 31.718 32.500 -0.034 0.000 0.712 210 K HN 0.247 nan 8.250 nan 0.000 0.441 211 Y N 0.787 121.125 120.300 0.064 0.000 2.165 211 Y HA -0.215 4.334 4.550 -0.001 0.000 0.286 211 Y C 2.393 178.318 175.900 0.042 0.000 1.155 211 Y CA 2.106 60.235 58.100 0.048 0.000 1.164 211 Y CB -0.638 37.849 38.460 0.045 0.000 0.978 211 Y HN 0.132 nan 8.280 nan 0.000 0.513 212 T N -1.158 113.510 114.554 0.190 0.000 2.746 212 T HA -0.219 4.130 4.350 -0.001 0.000 0.267 212 T C 2.115 176.860 174.700 0.074 0.000 1.039 212 T CA 1.468 63.641 62.100 0.121 0.000 1.142 212 T CB -0.839 68.075 68.868 0.077 0.000 0.866 212 T HN 0.418 nan 8.240 nan 0.000 0.444 213 C N 1.723 121.032 119.300 0.016 0.000 2.413 213 C HA -0.074 4.386 4.460 -0.001 0.000 0.277 213 C C 2.823 177.529 174.990 -0.473 0.000 1.228 213 C CA 0.569 59.505 59.018 -0.137 0.000 1.731 213 C CB -1.258 26.446 27.740 -0.059 0.000 2.042 213 C HN 0.546 nan 8.230 nan 0.000 0.468 214 N N 0.740 119.284 118.700 -0.260 0.000 2.142 214 N HA -0.083 4.656 4.740 -0.001 0.000 0.186 214 N C 1.625 177.101 175.510 -0.056 0.000 1.023 214 N CA 1.086 54.007 53.050 -0.214 0.000 0.852 214 N CB -0.498 37.938 38.487 -0.085 0.000 0.998 214 N HN 0.343 nan 8.380 nan 0.000 0.424 215 V N 0.293 120.237 119.914 0.050 0.000 2.515 215 V HA -0.168 3.951 4.120 -0.001 0.000 0.250 215 V C 2.017 178.221 176.094 0.182 0.000 1.058 215 V CA 1.019 63.394 62.300 0.124 0.000 1.064 215 V CB -0.545 31.374 31.823 0.160 0.000 0.675 215 V HN 0.498 nan 8.190 nan 0.000 0.461 216 W N 0.992 122.275 121.300 -0.029 0.000 2.355 216 W HA -0.227 4.432 4.660 -0.000 0.000 0.309 216 W C 2.461 179.054 176.519 0.124 0.000 1.206 216 W CA 2.011 59.372 57.345 0.026 0.000 1.284 216 W CB -0.368 29.098 29.460 0.010 0.000 1.145 216 W HN 0.421 nan 8.180 nan 0.000 0.502 217 H N 0.008 119.069 119.070 -0.015 0.000 2.352 217 H HA -0.168 4.387 4.556 -0.001 0.000 0.299 217 H C 2.492 177.735 175.328 -0.140 0.000 1.097 217 H CA 1.315 57.276 56.048 -0.145 0.000 1.311 217 H CB -0.425 29.325 29.762 -0.020 0.000 1.377 217 H HN 0.189 nan 8.280 nan 0.000 0.504 218 A N 1.322 124.183 122.820 0.069 0.000 1.902 218 A HA -0.125 4.195 4.320 -0.001 0.000 0.217 218 A C 2.586 180.167 177.584 -0.005 0.000 1.181 218 A CA 1.369 53.426 52.037 0.034 0.000 0.623 218 A CB -0.872 18.163 19.000 0.058 0.000 0.818 218 A HN 0.474 nan 8.150 nan 0.000 0.443 219 A N -0.208 122.598 122.820 -0.023 0.000 1.933 219 A HA -0.155 4.164 4.320 -0.001 0.000 0.218 219 A C 2.107 179.600 177.584 -0.152 0.000 1.175 219 A CA 1.808 53.822 52.037 -0.038 0.000 0.628 219 A CB -0.408 18.618 19.000 0.042 0.000 0.814 219 A HN 0.554 nan 8.150 nan 0.000 0.444 220 K N -0.485 119.688 120.400 -0.379 0.000 2.026 220 K HA -0.083 4.237 4.320 -0.001 0.000 0.208 220 K C 1.905 178.441 176.600 -0.107 0.000 1.048 220 K CA 1.485 57.546 56.287 -0.377 0.000 0.929 220 K CB -0.436 31.739 32.500 -0.543 0.000 0.713 220 K HN 0.286 nan 8.250 nan 0.000 0.439 221 V N 1.381 121.244 119.914 -0.086 0.000 2.287 221 V HA -0.268 3.852 4.120 -0.001 0.000 0.248 221 V C 2.179 178.274 176.094 0.001 0.000 1.053 221 V CA 2.203 64.484 62.300 -0.032 0.000 1.027 221 V CB -0.693 31.115 31.823 -0.025 0.000 0.646 221 V HN 0.428 nan 8.190 nan 0.000 0.447 222 T N -0.033 114.530 114.554 0.015 0.000 2.746 222 T HA -0.209 4.140 4.350 -0.001 0.000 0.267 222 T C 1.665 176.393 174.700 0.047 0.000 1.039 222 T CA 1.989 64.107 62.100 0.030 0.000 1.142 222 T CB -0.424 68.470 68.868 0.043 0.000 0.866 222 T HN 0.454 nan 8.240 nan 0.000 0.444 223 F N 2.250 122.163 119.950 -0.060 0.000 2.069 223 F HA -0.058 4.469 4.527 -0.000 0.000 0.298 223 F C 2.498 178.268 175.800 -0.051 0.000 1.113 223 F CA 1.204 59.172 58.000 -0.053 0.000 1.214 223 F CB -0.687 38.265 39.000 -0.079 0.000 0.978 223 F HN 0.144 nan 8.300 nan 0.000 0.474 224 A N 0.494 123.366 122.820 0.088 0.000 1.908 224 A HA -0.247 4.072 4.320 -0.001 0.000 0.218 224 A C 2.040 179.566 177.584 -0.098 0.000 1.181 224 A CA 2.076 54.108 52.037 -0.008 0.000 0.627 224 A CB -1.009 18.013 19.000 0.037 0.000 0.818 224 A HN 0.535 nan 8.150 nan 0.000 0.445 225 N N -0.014 118.643 118.700 -0.071 0.000 2.084 225 N HA -0.123 4.616 4.740 -0.001 0.000 0.190 225 N C 1.682 177.132 175.510 -0.100 0.000 1.030 225 N CA 1.589 54.598 53.050 -0.068 0.000 0.849 225 N CB -0.453 38.011 38.487 -0.038 0.000 1.012 225 N HN 0.664 nan 8.380 nan 0.000 0.423 226 E N 0.294 120.414 120.200 -0.134 0.000 2.072 226 E HA -0.085 4.264 4.350 -0.001 0.000 0.191 226 E C 1.821 178.295 176.600 -0.209 0.000 0.985 226 E CA 0.529 56.845 56.400 -0.140 0.000 0.801 226 E CB 0.018 29.647 29.700 -0.118 0.000 0.750 226 E HN 0.236 nan 8.360 nan 0.000 0.452 227 I N 0.987 121.345 120.570 -0.352 0.000 2.179 227 I HA -0.170 3.999 4.170 -0.001 0.000 0.242 227 I C 2.580 178.585 176.117 -0.186 0.000 1.088 227 I CA 1.480 62.578 61.300 -0.337 0.000 1.357 227 I CB -1.643 36.059 38.000 -0.497 0.000 1.051 227 I HN 0.142 nan 8.210 nan 0.000 0.409 228 G N 1.411 110.122 108.800 -0.149 0.000 2.476 228 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.218 228 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.218 228 G C 1.474 176.328 174.900 -0.076 0.000 1.164 228 G CA 0.873 45.918 45.100 -0.091 0.000 0.768 228 G HN 0.353 nan 8.290 nan 0.000 0.560 229 N N 0.699 119.353 118.700 -0.078 0.000 2.120 229 N HA -0.052 4.688 4.740 -0.001 0.000 0.188 229 N C 2.246 177.720 175.510 -0.060 0.000 1.024 229 N CA 0.923 53.939 53.050 -0.057 0.000 0.852 229 N CB -0.323 38.137 38.487 -0.044 0.000 1.003 229 N HN 0.390 nan 8.380 nan 0.000 0.424 230 I N 1.079 121.600 120.570 -0.083 0.000 2.226 230 I HA -0.229 3.941 4.170 -0.001 0.000 0.245 230 I C 2.337 178.413 176.117 -0.069 0.000 1.100 230 I CA 0.975 62.224 61.300 -0.085 0.000 1.374 230 I CB -0.349 37.578 38.000 -0.121 0.000 1.057 230 I HN 0.056 nan 8.210 nan 0.000 0.413 231 A N 0.926 123.703 122.820 -0.072 0.000 1.865 231 A HA -0.302 4.018 4.320 -0.001 0.000 0.217 231 A C 2.410 179.969 177.584 -0.042 0.000 1.191 231 A CA 2.216 54.220 52.037 -0.055 0.000 0.623 231 A CB -0.658 18.308 19.000 -0.056 0.000 0.826 231 A HN 0.379 nan 8.150 nan 0.000 0.444 232 K N -0.396 119.979 120.400 -0.040 0.000 2.063 232 K HA -0.118 4.201 4.320 -0.001 0.000 0.208 232 K C 2.061 178.645 176.600 -0.027 0.000 1.048 232 K CA 1.345 57.614 56.287 -0.031 0.000 0.928 232 K CB -0.329 32.154 32.500 -0.029 0.000 0.713 232 K HN 0.381 nan 8.250 nan 0.000 0.442 233 A N 0.457 123.259 122.820 -0.031 0.000 2.015 233 A HA -0.046 4.274 4.320 -0.001 0.000 0.219 233 A C 2.052 179.621 177.584 -0.024 0.000 1.163 233 A CA 1.139 53.160 52.037 -0.026 0.000 0.646 233 A CB -0.183 18.799 19.000 -0.029 0.000 0.806 233 A HN 0.187 nan 8.150 nan 0.000 0.448 234 V N -1.062 118.835 119.914 -0.028 0.000 3.041 234 V HA 0.195 4.314 4.120 -0.001 0.000 0.260 234 V C 1.748 177.830 176.094 -0.019 0.000 1.105 234 V CA 1.289 63.575 62.300 -0.024 0.000 1.125 234 V CB -0.551 31.255 31.823 -0.029 0.000 0.730 234 V HN 1.089 nan 8.190 nan 0.000 0.479 235 G N 0.476 109.265 108.800 -0.020 0.000 2.135 235 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.183 235 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.183 235 G C 0.032 174.922 174.900 -0.017 0.000 1.004 235 G CA 0.192 45.282 45.100 -0.016 0.000 0.677 235 G HN 1.060 nan 8.290 nan 0.000 0.512 236 V N -3.447 116.455 119.914 -0.020 0.000 3.155 236 V HA 0.872 4.992 4.120 -0.001 0.000 0.313 236 V C -0.417 175.664 176.094 -0.022 0.000 1.162 236 V CA -1.080 61.209 62.300 -0.019 0.000 1.048 236 V CB 2.184 33.995 31.823 -0.020 0.000 1.092 236 V HN 0.093 nan 8.190 nan 0.000 0.447 237 D N 1.046 121.435 120.400 -0.019 0.000 2.365 237 D HA 0.347 4.986 4.640 -0.001 0.000 0.237 237 D C 1.291 177.577 176.300 -0.023 0.000 1.190 237 D CA 0.790 54.778 54.000 -0.020 0.000 0.867 237 D CB 1.363 42.154 40.800 -0.015 0.000 1.050 237 D HN 0.890 nan 8.370 nan 0.000 0.491 238 G N 4.178 112.960 108.800 -0.029 0.000 2.475 238 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.220 238 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.220 238 G C 1.555 176.438 174.900 -0.027 0.000 1.125 238 G CA 0.447 45.525 45.100 -0.036 0.000 0.755 238 G HN 0.499 nan 8.290 nan 0.000 0.565 239 R N 0.006 120.493 120.500 -0.021 0.000 2.092 239 R HA 0.017 4.356 4.340 -0.001 0.000 0.231 239 R C 2.413 178.706 176.300 -0.011 0.000 1.119 239 R CA 1.204 57.295 56.100 -0.014 0.000 0.970 239 R CB -0.266 30.026 30.300 -0.013 0.000 0.864 239 R HN 0.527 nan 8.270 nan 0.000 0.440 240 E N 0.735 120.928 120.200 -0.012 0.000 2.072 240 E HA -0.150 4.200 4.350 -0.001 0.000 0.191 240 E C 1.832 178.427 176.600 -0.009 0.000 0.985 240 E CA 1.125 57.519 56.400 -0.010 0.000 0.801 240 E CB 0.205 29.899 29.700 -0.011 0.000 0.750 240 E HN 0.085 nan 8.360 nan 0.000 0.452 241 V N 1.094 121.001 119.914 -0.011 0.000 2.261 241 V HA -0.283 3.836 4.120 -0.001 0.000 0.246 241 V C 2.488 178.585 176.094 0.004 0.000 1.047 241 V CA 1.664 63.959 62.300 -0.007 0.000 1.015 241 V CB -0.412 31.401 31.823 -0.017 0.000 0.642 241 V HN 0.419 nan 8.190 nan 0.000 0.446 242 M N -0.411 119.193 119.600 0.006 0.000 2.213 242 M HA -0.137 4.342 4.480 -0.001 0.000 0.263 242 M C 1.930 178.237 176.300 0.012 0.000 1.062 242 M CA 1.429 56.744 55.300 0.024 0.000 1.105 242 M CB -1.432 31.183 32.600 0.026 0.000 1.385 242 M HN 0.351 nan 8.290 nan 0.000 0.417 243 D N 0.280 120.680 120.400 0.001 0.000 2.123 243 D HA -0.110 4.529 4.640 -0.001 0.000 0.196 243 D C 2.259 178.551 176.300 -0.012 0.000 0.992 243 D CA 1.092 55.089 54.000 -0.005 0.000 0.833 243 D CB -0.189 40.608 40.800 -0.005 0.000 0.954 243 D HN 0.149 nan 8.370 nan 0.000 0.455 244 V N 0.777 120.685 119.914 -0.010 0.000 2.358 244 V HA -0.206 3.913 4.120 -0.001 0.000 0.246 244 V C 2.355 178.434 176.094 -0.025 0.000 1.047 244 V CA 0.858 63.148 62.300 -0.017 0.000 1.035 244 V CB -0.283 31.534 31.823 -0.010 0.000 0.658 244 V HN 0.104 nan 8.190 nan 0.000 0.452 245 I N -0.164 120.401 120.570 -0.007 0.000 2.248 245 I HA -0.251 3.919 4.170 -0.001 0.000 0.248 245 I C 2.271 178.360 176.117 -0.046 0.000 1.107 245 I CA 1.466 62.764 61.300 -0.004 0.000 1.373 245 I CB -0.812 37.215 38.000 0.045 0.000 1.055 245 I HN 0.318 nan 8.210 nan 0.000 0.418 246 C N -0.251 119.018 119.300 -0.051 0.000 2.522 246 C HA -0.027 4.432 4.460 -0.001 0.000 0.271 246 C C 2.397 177.260 174.990 -0.213 0.000 1.425 246 C CA 0.121 59.084 59.018 -0.091 0.000 1.751 246 C CB -1.387 26.335 27.740 -0.030 0.000 1.775 246 C HN 0.519 nan 8.230 nan 0.000 0.557 247 Q N 0.326 120.018 119.800 -0.180 0.000 2.451 247 Q HA -0.028 4.311 4.340 -0.001 0.000 0.206 247 Q C 0.190 175.995 176.000 -0.326 0.000 0.947 247 Q CA 0.519 56.194 55.803 -0.213 0.000 0.937 247 Q CB 0.028 28.717 28.738 -0.081 0.000 1.025 247 Q HN 0.570 nan 8.270 nan 0.000 0.511 248 D N -0.143 120.078 120.400 -0.299 0.000 2.456 248 D HA 0.004 4.644 4.640 -0.001 0.000 0.219 248 D C 0.208 176.363 176.300 -0.243 0.000 1.126 248 D CA -0.174 53.706 54.000 -0.200 0.000 0.890 248 D CB 0.413 41.168 40.800 -0.075 0.000 1.025 248 D HN 0.074 nan 8.370 nan 0.000 0.511 249 H N 2.784 121.868 119.070 0.023 0.000 2.526 249 H HA 0.147 4.703 4.556 -0.001 0.000 0.274 249 H C 0.967 176.307 175.328 0.019 0.000 0.999 249 H CA 0.200 56.263 56.048 0.024 0.000 1.157 249 H CB 0.717 30.487 29.762 0.013 0.000 1.407 249 H HN 0.448 nan 8.280 nan 0.000 0.568 250 K N 0.027 120.476 120.400 0.082 0.000 2.141 250 K HA 0.134 4.453 4.320 -0.001 0.000 0.202 250 K C 1.596 178.215 176.600 0.032 0.000 1.045 250 K CA 0.541 56.848 56.287 0.034 0.000 0.971 250 K CB 0.754 33.251 32.500 -0.005 0.000 0.795 250 K HN 0.110 nan 8.250 nan 0.000 0.459 251 L N -0.017 121.249 121.223 0.071 0.000 2.588 251 L HA 0.084 4.423 4.340 -0.001 0.000 0.194 251 L C 1.735 178.747 176.870 0.237 0.000 1.070 251 L CA 0.067 55.013 54.840 0.176 0.000 0.852 251 L CB -0.305 41.883 42.059 0.215 0.000 1.199 251 L HN -0.001 nan 8.230 nan 0.000 0.486 252 N N 1.072 119.855 118.700 0.137 0.000 2.039 252 N HA -0.077 4.662 4.740 -0.001 0.000 0.193 252 N C 1.350 176.928 175.510 0.115 0.000 1.044 252 N CA 1.414 54.521 53.050 0.096 0.000 0.847 252 N CB -0.113 38.385 38.487 0.019 0.000 1.030 252 N HN 0.200 nan 8.380 nan 0.000 0.422 253 L N 0.793 122.079 121.223 0.104 0.000 2.912 253 L HA 0.249 4.589 4.340 -0.001 0.000 0.240 253 L C 0.450 177.428 176.870 0.180 0.000 1.262 253 L CA -0.315 54.622 54.840 0.161 0.000 1.058 253 L CB -0.135 42.037 42.059 0.189 0.000 1.383 253 L HN 0.086 nan 8.230 nan 0.000 0.512 254 S N -1.012 114.780 115.700 0.154 0.000 2.786 254 S HA 0.365 4.835 4.470 -0.001 0.000 0.307 254 S C 1.074 175.731 174.600 0.095 0.000 1.121 254 S CA -0.878 57.392 58.200 0.117 0.000 0.975 254 S CB 1.301 64.563 63.200 0.103 0.000 1.220 254 S HN 0.405 nan 8.310 nan 0.000 0.550 255 R N -0.959 119.571 120.500 0.051 0.000 2.280 255 R HA 0.073 4.412 4.340 -0.001 0.000 0.207 255 R C 0.010 176.316 176.300 0.010 0.000 1.043 255 R CA 0.070 56.171 56.100 0.002 0.000 1.006 255 R CB -0.740 29.543 30.300 -0.029 0.000 0.885 255 R HN 0.581 nan 8.270 nan 0.000 0.467 256 Y N 1.364 121.612 120.300 -0.088 0.000 2.702 256 Y HA -0.157 4.392 4.550 -0.001 0.000 0.336 256 Y C 0.009 175.833 175.900 -0.127 0.000 1.235 256 Y CA 0.724 58.693 58.100 -0.219 0.000 1.492 256 Y CB 0.176 38.423 38.460 -0.355 0.000 1.308 256 Y HN 0.230 nan 8.280 nan 0.000 0.589 257 Y N 0.460 120.420 120.300 -0.567 0.000 4.884 257 Y HA -0.332 4.218 4.550 -0.001 0.000 0.276 257 Y C 1.060 176.828 175.900 -0.221 0.000 0.915 257 Y CA 0.680 58.559 58.100 -0.367 0.000 1.768 257 Y CB -1.607 36.747 38.460 -0.178 0.000 1.172 257 Y HN 0.578 nan 8.280 nan 0.000 0.470 258 M N 0.425 119.963 119.600 -0.104 0.000 2.493 258 M HA 0.180 4.659 4.480 -0.001 0.000 0.244 258 M C 0.243 176.468 176.300 -0.126 0.000 1.182 258 M CA 0.607 55.824 55.300 -0.139 0.000 0.981 258 M CB -0.124 32.354 32.600 -0.203 0.000 1.551 258 M HN 0.086 nan 8.290 nan 0.000 0.476 259 R N 1.507 121.944 120.500 -0.105 0.000 2.265 259 R HA 0.418 4.757 4.340 -0.001 0.000 0.319 259 R C -2.186 174.123 176.300 0.015 0.000 1.006 259 R CA -1.518 54.537 56.100 -0.074 0.000 0.880 259 R CB 0.203 30.437 30.300 -0.110 0.000 1.077 259 R HN 0.015 nan 8.270 nan 0.000 0.454 260 P HA 0.210 nan 4.420 nan 0.000 0.268 260 P C 0.008 177.490 177.300 0.304 0.000 1.205 260 P CA -0.112 63.096 63.100 0.179 0.000 0.771 260 P CB 1.257 33.095 31.700 0.230 0.000 0.858 261 G N 0.796 109.764 108.800 0.280 0.000 2.623 261 G HA2 0.211 4.171 3.960 -0.001 0.000 0.085 261 G HA3 0.211 4.171 3.960 -0.001 0.000 0.085 261 G C -1.551 173.543 174.900 0.323 0.000 1.116 261 G CA -0.313 44.987 45.100 0.335 0.000 1.200 261 G HN 0.394 nan 8.290 nan 0.000 0.556 262 F N 2.010 122.033 119.950 0.121 0.000 2.410 262 F HA 0.818 5.345 4.527 -0.001 0.000 0.324 262 F C 1.013 176.867 175.800 0.090 0.000 1.093 262 F CA -0.819 57.235 58.000 0.089 0.000 1.028 262 F CB 1.353 40.412 39.000 0.099 0.000 1.309 262 F HN 0.741 nan 8.300 nan 0.000 0.499 263 A N 2.082 124.539 122.820 -0.605 0.000 2.547 263 A HA 0.281 4.601 4.320 -0.001 0.000 0.233 263 A C -0.549 176.895 177.584 -0.234 0.000 1.067 263 A CA -0.138 51.572 52.037 -0.545 0.000 0.763 263 A CB -0.869 17.613 19.000 -0.863 0.000 1.007 263 A HN 0.601 nan 8.150 nan 0.000 0.506 264 F N 0.310 120.222 119.950 -0.062 0.000 2.380 264 F HA 0.762 5.288 4.527 -0.001 0.000 0.325 264 F C 0.648 176.467 175.800 0.031 0.000 1.136 264 F CA -0.373 57.652 58.000 0.042 0.000 1.171 264 F CB 0.482 39.518 39.000 0.059 0.000 1.230 264 F HN 0.794 nan 8.300 nan 0.000 0.554 265 G N -0.906 108.119 108.800 0.374 0.000 2.664 265 G HA2 0.648 4.608 3.960 -0.001 0.000 0.303 265 G HA3 0.648 4.608 3.960 -0.001 0.000 0.303 265 G C -0.532 174.396 174.900 0.047 0.000 1.243 265 G CA -0.231 44.981 45.100 0.186 0.000 0.826 265 G HN 1.832 nan 8.290 nan 0.000 0.498 266 G N -1.484 107.112 108.800 -0.340 0.000 2.710 266 G HA2 0.281 4.240 3.960 -0.001 0.000 0.668 266 G HA3 0.281 4.240 3.960 -0.001 0.000 0.668 266 G C 0.993 175.580 174.900 -0.521 0.000 1.320 266 G CA 0.607 45.014 45.100 -1.156 0.000 0.860 266 G HN 2.046 nan 8.290 nan 0.000 0.538 267 S N -1.824 113.560 115.700 -0.527 0.000 2.561 267 S HA 0.172 4.641 4.470 -0.001 0.000 0.225 267 S C 1.592 176.110 174.600 -0.137 0.000 0.977 267 S CA 1.811 59.862 58.200 -0.249 0.000 0.926 267 S CB -0.070 63.010 63.200 -0.201 0.000 0.769 267 S HN 1.220 nan 8.310 nan 0.000 0.533 268 C N -0.267 118.964 119.300 -0.115 0.000 2.904 268 C HA 0.435 4.895 4.460 -0.001 0.000 0.524 268 C C 2.318 177.297 174.990 -0.019 0.000 1.313 268 C CA -0.389 58.602 59.018 -0.045 0.000 2.614 268 C CB -1.066 26.662 27.740 -0.020 0.000 3.335 268 C HN 0.467 nan 8.230 nan 0.000 0.519 269 L N 1.938 123.157 121.223 -0.006 0.000 1.989 269 L HA -0.085 4.254 4.340 -0.001 0.000 0.211 269 L C -0.559 176.347 176.870 0.059 0.000 1.071 269 L CA 2.070 56.886 54.840 -0.041 0.000 0.749 269 L CB -2.110 39.849 42.059 -0.167 0.000 0.890 269 L HN 0.224 nan 8.230 nan 0.000 0.431 270 P HA -0.213 nan 4.420 nan 0.000 0.215 270 P C 1.347 178.706 177.300 0.099 0.000 1.157 270 P CA 1.551 64.787 63.100 0.227 0.000 0.868 270 P CB -0.124 31.667 31.700 0.152 0.000 0.788 271 K N -0.686 119.739 120.400 0.040 0.000 2.097 271 K HA -0.142 4.178 4.320 -0.001 0.000 0.205 271 K C 1.303 177.910 176.600 0.012 0.000 1.050 271 K CA 1.750 58.046 56.287 0.014 0.000 0.938 271 K CB -0.851 31.642 32.500 -0.012 0.000 0.718 271 K HN -0.002 nan 8.250 nan 0.000 0.442 272 D N 1.213 121.617 120.400 0.007 0.000 2.149 272 D HA -0.080 4.560 4.640 -0.001 0.000 0.201 272 D C 2.138 178.442 176.300 0.006 0.000 0.972 272 D CA 0.857 54.855 54.000 -0.002 0.000 0.835 272 D CB -0.152 40.638 40.800 -0.016 0.000 0.966 272 D HN 0.059 nan 8.370 nan 0.000 0.476 273 V N 1.158 121.084 119.914 0.021 0.000 2.295 273 V HA -0.238 3.882 4.120 -0.001 0.000 0.246 273 V C 2.496 178.625 176.094 0.059 0.000 1.049 273 V CA 1.578 63.904 62.300 0.043 0.000 1.024 273 V CB -0.337 31.541 31.823 0.091 0.000 0.648 273 V HN 0.138 nan 8.190 nan 0.000 0.447 274 R N -0.115 120.428 120.500 0.072 0.000 2.091 274 R HA -0.150 4.189 4.340 -0.001 0.000 0.238 274 R C 2.425 178.776 176.300 0.085 0.000 1.136 274 R CA 1.569 57.719 56.100 0.083 0.000 0.959 274 R CB -0.596 29.743 30.300 0.065 0.000 0.856 274 R HN 0.551 nan 8.270 nan 0.000 0.437 275 A N 1.046 123.892 122.820 0.043 0.000 1.873 275 A HA -0.144 4.175 4.320 -0.001 0.000 0.215 275 A C 2.081 179.695 177.584 0.050 0.000 1.186 275 A CA 0.987 53.047 52.037 0.037 0.000 0.616 275 A CB -0.450 18.549 19.000 -0.002 0.000 0.823 275 A HN 0.231 nan 8.150 nan 0.000 0.442 276 L N 0.485 121.711 121.223 0.006 0.000 2.093 276 L HA -0.120 4.220 4.340 -0.001 0.000 0.208 276 L C 2.735 179.543 176.870 -0.103 0.000 1.085 276 L CA 2.806 57.622 54.840 -0.041 0.000 0.755 276 L CB -0.753 41.271 42.059 -0.058 0.000 0.904 276 L HN 0.579 nan 8.230 nan 0.000 0.435 277 T N -3.899 110.598 114.554 -0.095 0.000 2.857 277 T HA -0.243 4.107 4.350 -0.001 0.000 0.266 277 T C 1.907 176.542 174.700 -0.109 0.000 1.048 277 T CA 1.335 63.295 62.100 -0.234 0.000 1.139 277 T CB -1.001 67.845 68.868 -0.037 0.000 0.874 277 T HN 0.401 nan 8.240 nan 0.000 0.455 278 Y N 2.253 122.517 120.300 -0.060 0.000 2.145 278 Y HA -0.073 4.477 4.550 -0.000 0.000 0.286 278 Y C 2.902 178.779 175.900 -0.038 0.000 1.145 278 Y CA 1.728 59.816 58.100 -0.020 0.000 1.148 278 Y CB -0.250 38.205 38.460 -0.009 0.000 0.981 278 Y HN 0.055 nan 8.280 nan 0.000 0.507 279 R N 0.702 121.274 120.500 0.120 0.000 2.081 279 R HA -0.132 4.207 4.340 -0.001 0.000 0.235 279 R C 2.312 178.575 176.300 -0.061 0.000 1.131 279 R CA 1.601 57.727 56.100 0.042 0.000 0.960 279 R CB -1.120 29.196 30.300 0.026 0.000 0.856 279 R HN 0.407 nan 8.270 nan 0.000 0.436 280 A N -0.502 122.233 122.820 -0.142 0.000 1.892 280 A HA -0.191 4.128 4.320 -0.001 0.000 0.218 280 A C 2.280 179.819 177.584 -0.074 0.000 1.188 280 A CA 2.179 54.111 52.037 -0.176 0.000 0.631 280 A CB -0.926 17.806 19.000 -0.447 0.000 0.822 280 A HN 0.441 nan 8.150 nan 0.000 0.447 281 S N -0.404 115.259 115.700 -0.061 0.000 2.359 281 S HA -0.230 4.239 4.470 -0.001 0.000 0.224 281 S C 2.096 176.636 174.600 -0.100 0.000 1.035 281 S CA 1.611 59.795 58.200 -0.026 0.000 1.018 281 S CB -0.397 62.739 63.200 -0.108 0.000 0.876 281 S HN 0.701 nan 8.310 nan 0.000 0.448 282 Q N 0.291 119.999 119.800 -0.153 0.000 2.181 282 Q HA -0.026 4.314 4.340 -0.001 0.000 0.205 282 Q C 1.492 177.464 176.000 -0.047 0.000 0.980 282 Q CA 0.939 56.683 55.803 -0.098 0.000 0.862 282 Q CB -0.303 28.406 28.738 -0.048 0.000 0.905 282 Q HN 0.487 nan 8.270 nan 0.000 0.429 283 L N 0.661 121.860 121.223 -0.039 0.000 2.629 283 L HA 0.017 4.357 4.340 -0.001 0.000 0.230 283 L C -0.444 176.415 176.870 -0.018 0.000 1.151 283 L CA -0.171 54.654 54.840 -0.025 0.000 0.924 283 L CB 0.109 42.152 42.059 -0.027 0.000 1.137 283 L HN 0.161 nan 8.230 nan 0.000 0.457 284 D N -0.360 120.030 120.400 -0.017 0.000 2.837 284 D HA -0.140 4.499 4.640 -0.001 0.000 0.230 284 D C -0.160 176.144 176.300 0.008 0.000 1.152 284 D CA 0.496 54.491 54.000 -0.008 0.000 0.736 284 D CB -1.465 39.327 40.800 -0.013 0.000 1.084 284 D HN 0.075 nan 8.370 nan 0.000 0.429 285 V N 1.045 120.977 119.914 0.030 0.000 2.318 285 V HA 0.110 4.229 4.120 -0.001 0.000 0.271 285 V C 0.950 177.139 176.094 0.158 0.000 1.030 285 V CA -0.519 61.812 62.300 0.053 0.000 0.844 285 V CB 1.299 33.133 31.823 0.019 0.000 1.015 285 V HN -0.002 nan 8.190 nan 0.000 0.460 286 E N 4.664 124.907 120.200 0.072 0.000 2.398 286 E HA 0.177 4.526 4.350 -0.001 0.000 0.263 286 E C -0.073 176.564 176.600 0.061 0.000 1.046 286 E CA 0.072 56.473 56.400 0.002 0.000 0.908 286 E CB 0.373 30.041 29.700 -0.054 0.000 0.963 286 E HN 0.871 nan 8.360 nan 0.000 0.431 287 H N 1.129 120.179 119.070 -0.033 0.000 2.696 287 H HA 0.181 4.737 4.556 -0.001 0.000 0.221 287 H C -2.656 172.665 175.328 -0.013 0.000 1.399 287 H CA -1.881 54.147 56.048 -0.033 0.000 1.408 287 H CB 0.232 29.968 29.762 -0.043 0.000 1.853 287 H HN 0.260 nan 8.280 nan 0.000 0.546 288 P HA -0.206 nan 4.420 nan 0.000 0.215 288 P C 2.019 179.329 177.300 0.017 0.000 1.157 288 P CA 1.404 64.469 63.100 -0.059 0.000 0.874 288 P CB 0.327 32.007 31.700 -0.034 0.000 0.790 289 M N -1.159 118.474 119.600 0.055 0.000 2.077 289 M HA -0.112 4.368 4.480 -0.001 0.000 0.261 289 M C 1.941 178.318 176.300 0.128 0.000 1.070 289 M CA 1.831 57.186 55.300 0.091 0.000 1.125 289 M CB -0.649 32.011 32.600 0.101 0.000 1.339 289 M HN -0.160 nan 8.290 nan 0.000 0.409 290 L N -0.418 120.893 121.223 0.147 0.000 2.127 290 L HA -0.128 4.212 4.340 -0.001 0.000 0.211 290 L C 2.371 179.368 176.870 0.211 0.000 1.089 290 L CA 1.214 56.154 54.840 0.167 0.000 0.757 290 L CB -1.248 40.871 42.059 0.100 0.000 0.899 290 L HN 0.503 nan 8.230 nan 0.000 0.434 291 G N -0.941 108.011 108.800 0.253 0.000 2.848 291 G HA2 -0.126 3.834 3.960 -0.001 0.000 0.208 291 G HA3 -0.126 3.834 3.960 -0.001 0.000 0.208 291 G C 1.604 176.564 174.900 0.101 0.000 1.152 291 G CA 0.751 45.967 45.100 0.194 0.000 0.789 291 G HN 0.493 nan 8.290 nan 0.000 0.531 292 S N -0.288 115.471 115.700 0.099 0.000 2.503 292 S HA 0.182 4.651 4.470 -0.001 0.000 0.215 292 S C 2.123 176.785 174.600 0.103 0.000 1.003 292 S CA -0.198 58.050 58.200 0.080 0.000 0.910 292 S CB -0.114 63.129 63.200 0.071 0.000 0.790 292 S HN 0.240 nan 8.310 nan 0.000 0.514 293 L N 0.658 121.967 121.223 0.145 0.000 2.012 293 L HA -0.077 4.262 4.340 -0.001 0.000 0.210 293 L C 2.803 179.779 176.870 0.176 0.000 1.073 293 L CA 1.258 56.218 54.840 0.200 0.000 0.748 293 L CB -0.704 41.509 42.059 0.256 0.000 0.891 293 L HN 0.316 nan 8.230 nan 0.000 0.431 294 M N -0.497 119.188 119.600 0.142 0.000 2.175 294 M HA -0.161 4.318 4.480 -0.001 0.000 0.264 294 M C 2.369 178.659 176.300 -0.016 0.000 1.063 294 M CA 1.501 56.833 55.300 0.053 0.000 1.119 294 M CB -1.257 31.383 32.600 0.066 0.000 1.377 294 M HN 0.148 nan 8.290 nan 0.000 0.415 295 R N 0.338 120.847 120.500 0.015 0.000 2.075 295 R HA -0.040 4.299 4.340 -0.001 0.000 0.232 295 R C 2.412 178.703 176.300 -0.015 0.000 1.126 295 R CA 2.085 58.183 56.100 -0.004 0.000 0.963 295 R CB -1.006 29.301 30.300 0.012 0.000 0.858 295 R HN 0.295 nan 8.270 nan 0.000 0.435 296 S N 0.027 115.733 115.700 0.009 0.000 2.370 296 S HA -0.178 4.291 4.470 -0.001 0.000 0.226 296 S C 1.790 176.362 174.600 -0.047 0.000 1.033 296 S CA 1.756 59.962 58.200 0.009 0.000 1.011 296 S CB -0.522 62.712 63.200 0.056 0.000 0.852 296 S HN 0.548 nan 8.310 nan 0.000 0.457 297 N N 0.701 119.334 118.700 -0.112 0.000 2.084 297 N HA -0.032 4.708 4.740 -0.001 0.000 0.190 297 N C 1.838 177.184 175.510 -0.274 0.000 1.030 297 N CA 1.914 54.783 53.050 -0.301 0.000 0.849 297 N CB -0.450 37.662 38.487 -0.624 0.000 1.012 297 N HN 0.321 nan 8.380 nan 0.000 0.423 298 S N 0.246 115.830 115.700 -0.194 0.000 2.382 298 S HA -0.059 4.411 4.470 -0.001 0.000 0.228 298 S C 1.536 176.081 174.600 -0.092 0.000 1.027 298 S CA 0.807 58.920 58.200 -0.144 0.000 0.991 298 S CB -0.427 62.715 63.200 -0.097 0.000 0.823 298 S HN 0.431 nan 8.310 nan 0.000 0.469 299 N N 1.359 120.021 118.700 -0.063 0.000 2.166 299 N HA -0.106 4.634 4.740 -0.001 0.000 0.186 299 N C 1.781 177.288 175.510 -0.006 0.000 1.019 299 N CA 0.910 53.947 53.050 -0.023 0.000 0.856 299 N CB -0.469 38.014 38.487 -0.007 0.000 0.993 299 N HN 0.326 nan 8.380 nan 0.000 0.426 300 Q N 0.450 120.225 119.800 -0.042 0.000 2.167 300 Q HA 0.039 4.378 4.340 -0.001 0.000 0.202 300 Q C 1.813 177.861 176.000 0.080 0.000 0.970 300 Q CA 0.703 56.506 55.803 0.001 0.000 0.855 300 Q CB -0.064 28.634 28.738 -0.067 0.000 0.911 300 Q HN 0.139 nan 8.270 nan 0.000 0.438 301 V N 0.166 120.053 119.914 -0.046 0.000 2.307 301 V HA -0.243 3.876 4.120 -0.001 0.000 0.245 301 V C 2.236 178.450 176.094 0.200 0.000 1.045 301 V CA 1.911 64.272 62.300 0.101 0.000 1.024 301 V CB -0.641 31.153 31.823 -0.049 0.000 0.651 301 V HN 0.372 nan 8.190 nan 0.000 0.449 302 Q N 0.714 120.570 119.800 0.094 0.000 2.096 302 Q HA -0.242 4.098 4.340 -0.001 0.000 0.204 302 Q C 2.194 178.301 176.000 0.178 0.000 0.982 302 Q CA 2.112 57.984 55.803 0.115 0.000 0.850 302 Q CB -0.416 28.349 28.738 0.045 0.000 0.901 302 Q HN 0.605 nan 8.270 nan 0.000 0.422 303 K N -0.919 119.563 120.400 0.135 0.000 2.032 303 K HA -0.151 4.168 4.320 -0.001 0.000 0.209 303 K C 1.907 178.570 176.600 0.105 0.000 1.048 303 K CA 1.321 57.670 56.287 0.103 0.000 0.927 303 K CB -0.359 32.187 32.500 0.077 0.000 0.712 303 K HN 0.272 nan 8.250 nan 0.000 0.441 304 A N 0.688 123.612 122.820 0.172 0.000 1.908 304 A HA -0.189 4.130 4.320 -0.001 0.000 0.218 304 A C 2.020 179.639 177.584 0.058 0.000 1.181 304 A CA 1.519 53.603 52.037 0.079 0.000 0.627 304 A CB -0.878 18.162 19.000 0.068 0.000 0.818 304 A HN 0.529 nan 8.150 nan 0.000 0.445 305 F N 1.405 121.358 119.950 0.006 0.000 2.095 305 F HA -0.227 4.300 4.527 -0.001 0.000 0.298 305 F C 1.772 177.537 175.800 -0.060 0.000 1.104 305 F CA 2.271 60.246 58.000 -0.041 0.000 1.232 305 F CB -0.248 38.744 39.000 -0.013 0.000 0.987 305 F HN 0.250 nan 8.300 nan 0.000 0.475 306 D N 0.558 120.980 120.400 0.036 0.000 2.149 306 D HA -0.181 4.458 4.640 -0.001 0.000 0.198 306 D C 2.451 178.659 176.300 -0.152 0.000 0.990 306 D CA 1.489 55.453 54.000 -0.061 0.000 0.839 306 D CB -0.522 40.303 40.800 0.041 0.000 0.948 306 D HN 0.351 nan 8.370 nan 0.000 0.460 307 L N 0.196 121.351 121.223 -0.113 0.000 2.056 307 L HA -0.097 4.243 4.340 -0.001 0.000 0.207 307 L C 2.479 179.299 176.870 -0.084 0.000 1.078 307 L CA 0.644 55.424 54.840 -0.101 0.000 0.749 307 L CB -0.247 41.770 42.059 -0.071 0.000 0.901 307 L HN 0.006 nan 8.230 nan 0.000 0.433 308 I N -0.179 120.297 120.570 -0.157 0.000 2.179 308 I HA -0.270 3.899 4.170 -0.001 0.000 0.242 308 I C 2.483 178.477 176.117 -0.205 0.000 1.088 308 I CA 1.932 63.130 61.300 -0.169 0.000 1.357 308 I CB -0.524 37.293 38.000 -0.305 0.000 1.051 308 I HN 0.383 nan 8.210 nan 0.000 0.409 309 T N -2.290 112.000 114.554 -0.441 0.000 3.160 309 T HA -0.019 4.330 4.350 -0.001 0.000 0.257 309 T C 1.715 176.322 174.700 -0.155 0.000 1.147 309 T CA 0.721 62.613 62.100 -0.346 0.000 1.064 309 T CB -0.435 68.089 68.868 -0.575 0.000 0.949 309 T HN 0.427 nan 8.240 nan 0.000 0.526 310 S N 0.001 115.563 115.700 -0.230 0.000 2.522 310 S HA 0.038 4.508 4.470 -0.001 0.000 0.227 310 S C 0.385 174.744 174.600 -0.402 0.000 0.986 310 S CA -0.383 57.629 58.200 -0.312 0.000 0.929 310 S CB -0.633 62.322 63.200 -0.407 0.000 0.769 310 S HN 0.730 nan 8.310 nan 0.000 0.529 311 H N 1.089 120.129 119.070 -0.050 0.000 2.505 311 H HA 0.505 5.060 4.556 -0.001 0.000 0.355 311 H C -0.378 174.951 175.328 0.002 0.000 1.179 311 H CA -0.422 55.610 56.048 -0.027 0.000 1.343 311 H CB 0.572 30.312 29.762 -0.036 0.000 1.501 311 H HN 0.116 nan 8.280 nan 0.000 0.569 312 D N 0.817 121.277 120.400 0.100 0.000 3.057 312 D HA 0.099 4.739 4.640 -0.001 0.000 0.246 312 D C -0.678 175.657 176.300 0.058 0.000 1.238 312 D CA -0.044 53.990 54.000 0.056 0.000 0.949 312 D CB -0.194 40.622 40.800 0.027 0.000 1.086 312 D HN 0.463 nan 8.370 nan 0.000 0.487 313 T N -0.676 113.934 114.554 0.093 0.000 2.894 313 T HA 0.336 4.685 4.350 -0.001 0.000 0.309 313 T C 0.394 175.167 174.700 0.122 0.000 1.208 313 T CA -0.663 61.479 62.100 0.071 0.000 1.016 313 T CB 1.192 70.094 68.868 0.056 0.000 1.192 313 T HN -0.035 nan 8.240 nan 0.000 0.491 314 R N 1.575 122.103 120.500 0.047 0.000 2.334 314 R HA 0.214 4.553 4.340 -0.001 0.000 0.212 314 R C -0.085 176.309 176.300 0.157 0.000 0.897 314 R CA 0.139 56.263 56.100 0.040 0.000 1.056 314 R CB 0.168 30.372 30.300 -0.159 0.000 1.046 314 R HN 0.479 nan 8.270 nan 0.000 0.513 315 K N 1.466 121.922 120.400 0.094 0.000 2.250 315 K HA 0.273 4.593 4.320 -0.001 0.000 0.280 315 K C -0.693 175.938 176.600 0.051 0.000 1.098 315 K CA -0.087 56.238 56.287 0.063 0.000 0.916 315 K CB 1.655 34.169 32.500 0.023 0.000 1.209 315 K HN -0.249 nan 8.250 nan 0.000 0.461 316 V N 1.906 121.858 119.914 0.062 0.000 2.495 316 V HA 0.520 4.640 4.120 -0.001 0.000 0.298 316 V C 0.381 176.469 176.094 -0.010 0.000 1.031 316 V CA -0.998 61.306 62.300 0.007 0.000 0.871 316 V CB 1.904 33.721 31.823 -0.010 0.000 0.988 316 V HN 0.837 nan 8.190 nan 0.000 0.432 317 G N 3.931 112.702 108.800 -0.049 0.000 2.437 317 G HA2 0.577 4.536 3.960 -0.001 0.000 0.315 317 G HA3 0.577 4.536 3.960 -0.001 0.000 0.315 317 G C -1.249 173.599 174.900 -0.087 0.000 1.210 317 G CA -0.454 44.613 45.100 -0.056 0.000 0.943 317 G HN 0.539 nan 8.290 nan 0.000 0.471 318 L N 3.677 124.869 121.223 -0.052 0.000 2.257 318 L HA 0.522 4.862 4.340 -0.001 0.000 0.290 318 L C -0.325 176.508 176.870 -0.061 0.000 1.044 318 L CA -0.671 54.133 54.840 -0.061 0.000 0.810 318 L CB 0.947 43.001 42.059 -0.008 0.000 1.193 318 L HN 0.373 nan 8.230 nan 0.000 0.425 319 L N 6.573 127.679 121.223 -0.195 0.000 2.272 319 L HA 0.717 5.056 4.340 -0.001 0.000 0.284 319 L C 0.465 177.317 176.870 -0.031 0.000 1.045 319 L CA -0.474 54.149 54.840 -0.362 0.000 0.842 319 L CB 0.457 41.785 42.059 -1.218 0.000 1.224 319 L HN 0.882 nan 8.230 nan 0.000 0.430 320 G N 2.366 111.334 108.800 0.281 0.000 3.069 320 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.686 320 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.686 320 G C -0.718 174.297 174.900 0.193 0.000 1.161 320 G CA -0.444 44.853 45.100 0.329 0.000 0.804 320 G HN 0.474 nan 8.290 nan 0.000 0.608 321 L N 1.914 123.239 121.223 0.170 0.000 2.746 321 L HA 0.486 4.825 4.340 -0.001 0.000 0.230 321 L C 1.888 178.862 176.870 0.173 0.000 1.034 321 L CA 1.830 56.757 54.840 0.145 0.000 0.922 321 L CB -0.094 42.026 42.059 0.102 0.000 1.496 321 L HN 1.439 nan 8.230 nan 0.000 0.498 322 S N -0.243 115.557 115.700 0.167 0.000 2.587 322 S HA 0.014 4.483 4.470 -0.001 0.000 0.260 322 S C 1.246 175.999 174.600 0.253 0.000 1.353 322 S CA 0.261 58.586 58.200 0.209 0.000 0.995 322 S CB -0.057 63.242 63.200 0.165 0.000 0.912 322 S HN 0.350 nan 8.310 nan 0.000 0.568 323 F N -0.216 119.807 119.950 0.122 0.000 2.502 323 F HA 0.414 4.940 4.527 -0.001 0.000 0.298 323 F C 0.460 176.354 175.800 0.156 0.000 1.111 323 F CA 0.017 58.102 58.000 0.142 0.000 1.445 323 F CB -0.372 38.704 39.000 0.126 0.000 1.081 323 F HN 0.442 nan 8.300 nan 0.000 0.558 324 K N 0.345 120.460 120.400 -0.476 0.000 2.527 324 K HA 0.647 4.966 4.320 -0.001 0.000 0.260 324 K C -0.755 175.741 176.600 -0.174 0.000 0.937 324 K CA -0.773 55.266 56.287 -0.413 0.000 0.826 324 K CB 2.153 34.215 32.500 -0.729 0.000 1.359 324 K HN 0.036 nan 8.250 nan 0.000 0.434 325 A N 0.456 123.228 122.820 -0.079 0.000 2.520 325 A HA 0.432 4.751 4.320 -0.001 0.000 0.235 325 A C 1.169 178.704 177.584 -0.082 0.000 1.065 325 A CA 1.291 53.298 52.037 -0.050 0.000 0.764 325 A CB -0.672 18.304 19.000 -0.040 0.000 1.002 325 A HN 1.021 nan 8.150 nan 0.000 0.502 326 G N 0.069 108.830 108.800 -0.065 0.000 2.179 326 G HA2 -0.097 3.862 3.960 -0.001 0.000 0.260 326 G HA3 -0.097 3.862 3.960 -0.001 0.000 0.260 326 G C 0.442 175.310 174.900 -0.052 0.000 0.977 326 G CA 1.105 46.165 45.100 -0.067 0.000 0.641 326 G HN 1.928 nan 8.290 nan 0.000 0.533 327 T N -0.733 113.797 114.554 -0.039 0.000 2.896 327 T HA 0.534 4.884 4.350 -0.001 0.000 0.297 327 T C 0.467 175.200 174.700 0.054 0.000 1.108 327 T CA 0.450 62.558 62.100 0.013 0.000 1.004 327 T CB 1.571 70.459 68.868 0.034 0.000 1.159 327 T HN 0.222 nan 8.240 nan 0.000 0.499 328 D N 1.023 121.478 120.400 0.092 0.000 2.369 328 D HA 0.073 4.712 4.640 -0.001 0.000 0.211 328 D C 0.154 176.540 176.300 0.143 0.000 1.077 328 D CA -0.250 53.817 54.000 0.113 0.000 0.842 328 D CB 0.013 40.885 40.800 0.119 0.000 0.947 328 D HN 0.414 nan 8.370 nan 0.000 0.509 329 D N 1.022 121.536 120.400 0.191 0.000 2.412 329 D HA 0.014 4.654 4.640 -0.001 0.000 0.257 329 D C 0.940 177.382 176.300 0.237 0.000 1.217 329 D CA -0.023 54.096 54.000 0.199 0.000 0.897 329 D CB 0.870 41.840 40.800 0.283 0.000 1.132 329 D HN 0.117 nan 8.370 nan 0.000 0.493 330 L N 3.362 124.652 121.223 0.110 0.000 2.607 330 L HA 0.188 4.528 4.340 -0.001 0.000 0.228 330 L C 1.133 178.042 176.870 0.065 0.000 1.123 330 L CA -0.181 54.745 54.840 0.143 0.000 0.890 330 L CB 0.063 42.254 42.059 0.218 0.000 1.103 330 L HN 0.125 nan 8.230 nan 0.000 0.468 331 R N 1.681 122.139 120.500 -0.070 0.000 2.458 331 R HA -0.015 4.325 4.340 -0.001 0.000 0.303 331 R C 0.125 176.365 176.300 -0.100 0.000 1.013 331 R CA 0.114 56.142 56.100 -0.121 0.000 1.026 331 R CB -0.087 30.099 30.300 -0.189 0.000 0.948 331 R HN 0.176 nan 8.270 nan 0.000 0.417 332 E N 0.354 120.539 120.200 -0.024 0.000 2.294 332 E HA -0.250 4.100 4.350 -0.001 0.000 0.228 332 E C -0.575 176.035 176.600 0.017 0.000 1.253 332 E CA 0.626 57.021 56.400 -0.009 0.000 0.716 332 E CB -0.735 28.942 29.700 -0.039 0.000 1.184 332 E HN 0.513 nan 8.360 nan 0.000 0.374 333 S N 0.347 116.099 115.700 0.087 0.000 2.510 333 S HA 0.194 4.663 4.470 -0.001 0.000 0.279 333 S C -1.283 173.407 174.600 0.150 0.000 1.284 333 S CA -1.409 56.900 58.200 0.181 0.000 1.059 333 S CB 0.959 64.299 63.200 0.233 0.000 0.901 333 S HN -0.054 nan 8.310 nan 0.000 0.491 334 P HA -0.016 nan 4.420 nan 0.000 0.222 334 P C 1.083 178.568 177.300 0.307 0.000 1.147 334 P CA 0.832 63.990 63.100 0.096 0.000 0.790 334 P CB 0.054 31.670 31.700 -0.141 0.000 0.780 335 L N -1.628 119.798 121.223 0.338 0.000 2.109 335 L HA -0.083 4.257 4.340 -0.001 0.000 0.207 335 L C 2.335 179.316 176.870 0.186 0.000 1.086 335 L CA 0.922 55.933 54.840 0.285 0.000 0.760 335 L CB -1.008 41.195 42.059 0.240 0.000 0.910 335 L HN -0.155 nan 8.230 nan 0.000 0.437 336 V N 0.124 120.136 119.914 0.164 0.000 2.343 336 V HA -0.292 3.827 4.120 -0.001 0.000 0.247 336 V C 2.509 178.669 176.094 0.109 0.000 1.051 336 V CA 2.002 64.373 62.300 0.117 0.000 1.036 336 V CB -0.421 31.474 31.823 0.120 0.000 0.654 336 V HN 0.503 nan 8.190 nan 0.000 0.451 337 E N -0.123 120.145 120.200 0.113 0.000 2.058 337 E HA -0.284 4.065 4.350 -0.001 0.000 0.194 337 E C 2.189 178.850 176.600 0.100 0.000 0.997 337 E CA 1.680 58.131 56.400 0.085 0.000 0.801 337 E CB -0.157 29.573 29.700 0.049 0.000 0.746 337 E HN 0.419 nan 8.360 nan 0.000 0.450 338 L N 0.847 122.166 121.223 0.160 0.000 2.046 338 L HA -0.102 4.237 4.340 -0.001 0.000 0.208 338 L C 2.285 179.240 176.870 0.142 0.000 1.077 338 L CA 2.185 57.135 54.840 0.183 0.000 0.747 338 L CB -0.859 41.343 42.059 0.238 0.000 0.896 338 L HN 0.200 nan 8.230 nan 0.000 0.432 339 A N -0.710 122.178 122.820 0.114 0.000 1.892 339 A HA -0.273 4.047 4.320 -0.001 0.000 0.218 339 A C 2.173 179.819 177.584 0.103 0.000 1.188 339 A CA 2.067 54.158 52.037 0.090 0.000 0.631 339 A CB -0.717 18.318 19.000 0.059 0.000 0.822 339 A HN 0.620 nan 8.150 nan 0.000 0.447 340 E N -0.817 119.443 120.200 0.101 0.000 2.110 340 E HA -0.178 4.171 4.350 -0.001 0.000 0.193 340 E C 2.100 178.759 176.600 0.098 0.000 0.988 340 E CA 1.403 57.877 56.400 0.122 0.000 0.804 340 E CB -0.278 29.502 29.700 0.133 0.000 0.745 340 E HN 0.680 nan 8.360 nan 0.000 0.458 341 M N 0.378 120.012 119.600 0.058 0.000 2.117 341 M HA -0.188 4.291 4.480 -0.001 0.000 0.262 341 M C 2.266 178.666 176.300 0.168 0.000 1.065 341 M CA 1.383 56.669 55.300 -0.025 0.000 1.114 341 M CB -0.222 32.241 32.600 -0.228 0.000 1.361 341 M HN 0.121 nan 8.290 nan 0.000 0.408 342 L N -0.193 121.180 121.223 0.250 0.000 2.017 342 L HA -0.207 4.132 4.340 -0.001 0.000 0.208 342 L C 2.343 179.401 176.870 0.313 0.000 1.073 342 L CA 1.234 56.241 54.840 0.278 0.000 0.745 342 L CB -0.549 41.575 42.059 0.109 0.000 0.894 342 L HN 0.287 nan 8.230 nan 0.000 0.432 343 I N -0.174 120.524 120.570 0.213 0.000 2.226 343 I HA -0.227 3.942 4.170 -0.001 0.000 0.245 343 I C 2.567 178.786 176.117 0.170 0.000 1.100 343 I CA 1.494 62.905 61.300 0.186 0.000 1.374 343 I CB -0.815 37.285 38.000 0.167 0.000 1.057 343 I HN 0.290 nan 8.210 nan 0.000 0.413 344 G N 0.639 109.531 108.800 0.153 0.000 2.448 344 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.219 344 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.219 344 G C 1.584 176.568 174.900 0.140 0.000 1.127 344 G CA 0.488 45.655 45.100 0.111 0.000 0.766 344 G HN 0.365 nan 8.290 nan 0.000 0.552 345 K N -0.262 120.287 120.400 0.247 0.000 2.387 345 K HA 0.312 4.631 4.320 -0.001 0.000 0.198 345 K C 1.358 178.066 176.600 0.179 0.000 1.022 345 K CA 0.328 56.788 56.287 0.289 0.000 1.128 345 K CB 0.572 33.397 32.500 0.542 0.000 0.853 345 K HN 0.269 nan 8.250 nan 0.000 0.523 346 G N 1.048 109.933 108.800 0.142 0.000 2.132 346 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.234 346 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.234 346 G C -0.299 174.562 174.900 -0.065 0.000 0.989 346 G CA -0.325 44.783 45.100 0.012 0.000 0.676 346 G HN 0.221 nan 8.290 nan 0.000 0.522 347 Y N 0.461 120.796 120.300 0.059 0.000 2.379 347 Y HA 0.397 4.946 4.550 -0.001 0.000 0.337 347 Y C 1.115 177.035 175.900 0.034 0.000 1.238 347 Y CA 0.218 58.343 58.100 0.041 0.000 1.405 347 Y CB 0.688 39.175 38.460 0.044 0.000 1.310 347 Y HN 0.237 nan 8.280 nan 0.000 0.569 348 E N 3.285 123.569 120.200 0.141 0.000 1.936 348 E HA 0.256 4.605 4.350 -0.001 0.000 0.267 348 E C -1.632 175.028 176.600 0.100 0.000 1.076 348 E CA -0.601 55.851 56.400 0.087 0.000 0.870 348 E CB 0.127 29.854 29.700 0.044 0.000 1.093 348 E HN 0.422 nan 8.360 nan 0.000 0.411 349 L N 4.574 125.855 121.223 0.096 0.000 2.289 349 L HA 0.445 4.785 4.340 -0.001 0.000 0.285 349 L C -0.767 176.133 176.870 0.051 0.000 1.049 349 L CA -0.205 54.680 54.840 0.076 0.000 0.804 349 L CB 1.106 43.215 42.059 0.084 0.000 1.195 349 L HN 0.439 nan 8.230 nan 0.000 0.428 350 R N 5.603 126.127 120.500 0.039 0.000 2.599 350 R HA 0.706 5.046 4.340 -0.001 0.000 0.295 350 R C -1.264 175.062 176.300 0.044 0.000 0.963 350 R CA -0.671 55.453 56.100 0.040 0.000 0.883 350 R CB 1.951 32.271 30.300 0.035 0.000 1.171 350 R HN 0.584 nan 8.270 nan 0.000 0.450 351 I N 2.491 123.098 120.570 0.061 0.000 2.509 351 I HA 0.388 4.557 4.170 -0.001 0.000 0.293 351 I C -1.055 175.145 176.117 0.139 0.000 1.020 351 I CA -0.855 60.491 61.300 0.077 0.000 1.088 351 I CB 1.852 39.882 38.000 0.049 0.000 1.267 351 I HN 0.462 nan 8.210 nan 0.000 0.430 352 F N 5.822 125.783 119.950 0.019 0.000 2.477 352 F HA 0.530 5.056 4.527 -0.001 0.000 0.335 352 F C -0.937 174.940 175.800 0.128 0.000 1.130 352 F CA -0.211 57.827 58.000 0.064 0.000 0.948 352 F CB 1.079 40.115 39.000 0.059 0.000 1.154 352 F HN 0.372 nan 8.300 nan 0.000 0.439 353 D N 6.232 126.315 120.400 -0.528 0.000 2.470 353 D HA 0.144 4.784 4.640 -0.001 0.000 0.233 353 D C 0.527 176.521 176.300 -0.511 0.000 1.372 353 D CA -0.373 53.417 54.000 -0.350 0.000 0.994 353 D CB 1.217 41.989 40.800 -0.047 0.000 1.377 353 D HN 0.838 nan 8.370 nan 0.000 0.586 354 R N 2.631 122.784 120.500 -0.578 0.000 2.148 354 R HA -0.035 4.305 4.340 -0.001 0.000 0.227 354 R C 0.896 177.154 176.300 -0.071 0.000 1.103 354 R CA 0.763 56.682 56.100 -0.301 0.000 0.983 354 R CB -0.084 30.159 30.300 -0.095 0.000 0.874 354 R HN 0.170 nan 8.270 nan 0.000 0.451 355 N N 1.057 119.731 118.700 -0.044 0.000 2.135 355 N HA -0.081 4.658 4.740 -0.001 0.000 0.186 355 N C 1.952 177.514 175.510 0.088 0.000 1.027 355 N CA 1.483 54.550 53.050 0.029 0.000 0.849 355 N CB -0.180 38.315 38.487 0.013 0.000 1.002 355 N HN 0.076 nan 8.380 nan 0.000 0.425 356 V N 1.698 121.639 119.914 0.046 0.000 2.343 356 V HA -0.185 3.934 4.120 -0.001 0.000 0.247 356 V C 2.420 178.547 176.094 0.054 0.000 1.051 356 V CA 1.543 63.881 62.300 0.063 0.000 1.036 356 V CB -0.533 31.320 31.823 0.049 0.000 0.654 356 V HN 0.225 nan 8.190 nan 0.000 0.451 357 E N -0.231 119.974 120.200 0.008 0.000 2.058 357 E HA -0.276 4.073 4.350 -0.001 0.000 0.194 357 E C 2.074 178.719 176.600 0.076 0.000 0.997 357 E CA 1.824 58.228 56.400 0.008 0.000 0.801 357 E CB -0.482 29.186 29.700 -0.052 0.000 0.746 357 E HN 0.676 nan 8.360 nan 0.000 0.450 358 Y N 0.190 120.499 120.300 0.016 0.000 2.165 358 Y HA -0.211 4.338 4.550 -0.001 0.000 0.286 358 Y C 2.050 178.021 175.900 0.118 0.000 1.155 358 Y CA 1.893 60.050 58.100 0.095 0.000 1.164 358 Y CB -0.558 37.948 38.460 0.077 0.000 0.978 358 Y HN 0.137 nan 8.280 nan 0.000 0.513 359 A N 0.510 123.453 122.820 0.204 0.000 2.070 359 A HA -0.173 4.146 4.320 -0.001 0.000 0.220 359 A C 2.231 179.827 177.584 0.019 0.000 1.159 359 A CA 1.433 53.544 52.037 0.122 0.000 0.656 359 A CB -0.571 18.515 19.000 0.143 0.000 0.800 359 A HN 0.521 nan 8.150 nan 0.000 0.453 360 R N -0.867 119.629 120.500 -0.006 0.000 2.189 360 R HA -0.072 4.267 4.340 -0.001 0.000 0.223 360 R C 1.908 178.141 176.300 -0.112 0.000 1.092 360 R CA 1.556 57.634 56.100 -0.038 0.000 0.989 360 R CB -0.276 30.006 30.300 -0.030 0.000 0.876 360 R HN 0.597 nan 8.270 nan 0.000 0.457 361 V N -1.197 118.585 119.914 -0.220 0.000 3.455 361 V HA 0.137 4.256 4.120 -0.001 0.000 0.250 361 V C 0.209 175.957 176.094 -0.577 0.000 1.230 361 V CA 0.299 62.358 62.300 -0.402 0.000 1.105 361 V CB 0.327 31.857 31.823 -0.490 0.000 0.850 361 V HN 0.120 nan 8.190 nan 0.000 0.461 362 H N 0.729 119.609 119.070 -0.318 0.000 2.547 362 H HA 0.733 5.288 4.556 -0.001 0.000 0.342 362 H C 0.352 175.622 175.328 -0.097 0.000 1.048 362 H CA 0.270 56.160 56.048 -0.263 0.000 1.204 362 H CB 1.525 30.986 29.762 -0.501 0.000 1.493 362 H HN 0.623 nan 8.280 nan 0.000 0.511 363 G N 0.531 109.380 108.800 0.081 0.000 2.384 363 G HA2 0.100 4.059 3.960 -0.001 0.000 0.668 363 G HA3 0.100 4.059 3.960 -0.001 0.000 0.668 363 G C -0.443 174.488 174.900 0.050 0.000 1.280 363 G CA -0.221 44.929 45.100 0.084 0.000 0.992 363 G HN 0.672 nan 8.290 nan 0.000 0.512 364 A N -0.666 122.186 122.820 0.053 0.000 2.535 364 A HA 0.464 4.783 4.320 -0.001 0.000 0.273 364 A C 1.013 178.625 177.584 0.046 0.000 1.267 364 A CA 0.613 52.675 52.037 0.041 0.000 0.940 364 A CB -0.085 18.937 19.000 0.035 0.000 1.101 364 A HN 0.516 nan 8.150 nan 0.000 0.521 365 N N 0.051 118.787 118.700 0.059 0.000 2.238 365 N HA 0.096 4.836 4.740 -0.001 0.000 0.222 365 N C 0.864 176.441 175.510 0.112 0.000 1.133 365 N CA 0.060 53.160 53.050 0.083 0.000 0.854 365 N CB 0.456 38.988 38.487 0.074 0.000 1.041 365 N HN 0.470 nan 8.380 nan 0.000 0.510 366 K N 1.297 121.739 120.400 0.071 0.000 2.057 366 K HA -0.142 4.177 4.320 -0.001 0.000 0.207 366 K C 2.119 178.759 176.600 0.065 0.000 1.049 366 K CA 1.708 58.027 56.287 0.053 0.000 0.931 366 K CB 0.068 32.576 32.500 0.014 0.000 0.714 366 K HN 0.342 nan 8.250 nan 0.000 0.440 367 E N 0.842 121.086 120.200 0.074 0.000 2.153 367 E HA -0.226 4.123 4.350 -0.001 0.000 0.194 367 E C 1.631 178.289 176.600 0.095 0.000 0.988 367 E CA 1.432 57.873 56.400 0.069 0.000 0.811 367 E CB -0.869 nan 29.700 nan 0.000 0.746 367 E HN 0.491 nan 8.360 nan 0.000 0.466 368 Y N 0.406 120.717 120.300 0.018 0.000 2.130 368 Y HA 0.012 4.562 4.550 -0.001 0.000 0.287 368 Y C 2.298 178.213 175.900 0.025 0.000 1.124 368 Y CA 1.806 59.920 58.100 0.024 0.000 1.118 368 Y CB -0.128 38.347 38.460 0.026 0.000 0.994 368 Y HN 0.179 nan 8.280 nan 0.000 0.497 369 I N 0.663 121.310 120.570 0.128 0.000 2.335 369 I HA -0.262 3.908 4.170 -0.001 0.000 0.251 369 I C 2.439 178.531 176.117 -0.043 0.000 1.129 369 I CA 1.796 63.116 61.300 0.033 0.000 1.402 369 I CB -0.778 37.277 38.000 0.091 0.000 1.069 369 I HN 0.487 nan 8.210 nan 0.000 0.424 370 E N -0.373 119.812 120.200 -0.025 0.000 2.452 370 E HA 0.057 4.406 4.350 -0.001 0.000 0.197 370 E C 1.989 178.569 176.600 -0.033 0.000 1.022 370 E CA 0.938 57.323 56.400 -0.025 0.000 0.890 370 E CB 0.139 29.833 29.700 -0.009 0.000 0.918 370 E HN 0.438 nan 8.360 nan 0.000 0.496 371 S N -1.646 114.021 115.700 -0.055 0.000 2.727 371 S HA 0.236 4.705 4.470 -0.001 0.000 0.249 371 S C 2.292 176.843 174.600 -0.082 0.000 1.079 371 S CA 0.526 58.698 58.200 -0.047 0.000 0.912 371 S CB 0.812 63.999 63.200 -0.022 0.000 0.861 371 S HN 0.595 nan 8.310 nan 0.000 0.484 372 K N 1.813 122.097 120.400 -0.192 0.000 2.044 372 K HA 0.255 4.574 4.320 -0.001 0.000 0.204 372 K C 1.204 177.667 176.600 -0.228 0.000 1.049 372 K CA 1.456 57.570 56.287 -0.288 0.000 0.945 372 K CB -0.949 31.154 32.500 -0.662 0.000 0.724 372 K HN 0.650 nan 8.250 nan 0.000 0.440 373 I N -3.072 117.323 120.570 -0.293 0.000 2.998 373 I HA 0.306 4.475 4.170 -0.001 0.000 0.338 373 I C -2.127 173.912 176.117 -0.129 0.000 1.413 373 I CA -1.736 59.474 61.300 -0.149 0.000 0.880 373 I CB 1.752 39.585 38.000 -0.278 0.000 2.051 373 I HN -0.105 nan 8.210 nan 0.000 0.561 374 P HA -0.212 nan 4.420 nan 0.000 0.218 374 P C 1.380 178.704 177.300 0.039 0.000 1.149 374 P CA 1.689 64.804 63.100 0.025 0.000 0.817 374 P CB -0.306 31.423 31.700 0.049 0.000 0.785 375 H N -1.002 118.053 119.070 -0.025 0.000 2.491 375 H HA 0.047 4.603 4.556 -0.001 0.000 0.290 375 H C 1.509 176.842 175.328 0.008 0.000 1.050 375 H CA 0.731 56.776 56.048 -0.005 0.000 1.309 375 H CB -1.314 28.447 29.762 -0.003 0.000 1.392 375 H HN 0.019 nan 8.280 nan 0.000 0.554 376 V N 1.201 120.808 119.914 -0.512 0.000 2.581 376 V HA -0.132 3.988 4.120 -0.001 0.000 0.240 376 V C 2.839 178.850 176.094 -0.137 0.000 1.054 376 V CA 1.297 63.410 62.300 -0.312 0.000 1.076 376 V CB -0.072 31.529 31.823 -0.372 0.000 0.748 376 V HN 0.588 nan 8.190 nan 0.000 0.474 377 S N 1.539 117.163 115.700 -0.127 0.000 2.399 377 S HA -0.189 4.280 4.470 -0.001 0.000 0.231 377 S C 2.066 176.648 174.600 -0.029 0.000 1.022 377 S CA 1.665 59.831 58.200 -0.056 0.000 0.983 377 S CB -0.712 62.460 63.200 -0.047 0.000 0.803 377 S HN 0.695 nan 8.310 nan 0.000 0.480 378 S N 1.036 116.721 115.700 -0.025 0.000 2.507 378 S HA 0.110 4.580 4.470 -0.001 0.000 0.235 378 S C 1.377 175.980 174.600 0.005 0.000 0.988 378 S CA 0.401 58.599 58.200 -0.003 0.000 0.944 378 S CB -0.484 62.721 63.200 0.009 0.000 0.762 378 S HN 0.367 nan 8.310 nan 0.000 0.526 379 L N 0.848 122.071 121.223 0.001 0.000 2.592 379 L HA 0.490 4.829 4.340 -0.001 0.000 0.227 379 L C 0.508 177.391 176.870 0.022 0.000 1.127 379 L CA 0.044 54.893 54.840 0.016 0.000 0.884 379 L CB -0.911 41.158 42.059 0.017 0.000 1.065 379 L HN 0.358 nan 8.230 nan 0.000 0.457 380 L N -0.249 120.982 121.223 0.013 0.000 2.453 380 L HA 0.136 4.475 4.340 -0.001 0.000 0.272 380 L C -0.321 176.570 176.870 0.035 0.000 1.182 380 L CA 0.052 54.902 54.840 0.017 0.000 0.858 380 L CB 0.770 42.826 42.059 -0.006 0.000 1.120 380 L HN -0.245 nan 8.230 nan 0.000 0.474 381 V N 2.133 122.088 119.914 0.067 0.000 2.487 381 V HA 0.119 4.238 4.120 -0.001 0.000 0.298 381 V C 0.745 176.930 176.094 0.152 0.000 1.028 381 V CA -0.204 62.157 62.300 0.100 0.000 0.860 381 V CB 1.800 33.691 31.823 0.113 0.000 0.991 381 V HN 0.955 nan 8.190 nan 0.000 0.427 382 S N 1.618 117.391 115.700 0.121 0.000 2.447 382 S HA -0.049 4.420 4.470 -0.001 0.000 0.233 382 S C 0.608 175.379 174.600 0.285 0.000 1.006 382 S CA 0.735 59.017 58.200 0.136 0.000 0.957 382 S CB 0.017 63.270 63.200 0.089 0.000 0.773 382 S HN 0.785 nan 8.310 nan 0.000 0.507 383 D N 0.799 121.355 120.400 0.261 0.000 2.392 383 D HA 0.222 4.861 4.640 -0.001 0.000 0.228 383 D C 0.775 177.161 176.300 0.143 0.000 1.074 383 D CA -0.530 53.595 54.000 0.208 0.000 0.838 383 D CB 1.556 42.418 40.800 0.104 0.000 1.067 383 D HN 0.118 nan 8.370 nan 0.000 0.511 384 L N 4.819 126.010 121.223 -0.052 0.000 2.013 384 L HA -0.165 4.175 4.340 -0.001 0.000 0.212 384 L C 1.404 178.145 176.870 -0.214 0.000 1.073 384 L CA 1.967 56.524 54.840 -0.473 0.000 0.753 384 L CB -0.371 41.167 42.059 -0.868 0.000 0.890 384 L HN 0.403 nan 8.230 nan 0.000 0.432 385 D N -0.648 119.679 120.400 -0.122 0.000 2.149 385 D HA -0.230 4.409 4.640 -0.001 0.000 0.198 385 D C 2.055 178.324 176.300 -0.052 0.000 0.990 385 D CA 1.405 55.357 54.000 -0.080 0.000 0.839 385 D CB 0.029 40.802 40.800 -0.046 0.000 0.948 385 D HN 0.508 nan 8.370 nan 0.000 0.460 386 E N 0.819 121.006 120.200 -0.022 0.000 2.072 386 E HA -0.101 4.249 4.350 -0.001 0.000 0.191 386 E C 2.045 178.640 176.600 -0.009 0.000 0.985 386 E CA 0.590 56.988 56.400 -0.002 0.000 0.801 386 E CB -0.252 29.464 29.700 0.026 0.000 0.750 386 E HN 0.018 nan 8.360 nan 0.000 0.452 387 V N -0.039 119.870 119.914 -0.009 0.000 2.343 387 V HA -0.237 3.883 4.120 -0.001 0.000 0.247 387 V C 2.419 178.478 176.094 -0.057 0.000 1.051 387 V CA 1.603 63.894 62.300 -0.015 0.000 1.036 387 V CB -0.419 31.406 31.823 0.003 0.000 0.654 387 V HN 0.195 nan 8.190 nan 0.000 0.451 388 V N 0.219 120.079 119.914 -0.091 0.000 2.295 388 V HA -0.249 3.871 4.120 -0.001 0.000 0.246 388 V C 2.704 178.757 176.094 -0.069 0.000 1.049 388 V CA 2.033 64.273 62.300 -0.100 0.000 1.024 388 V CB -1.127 30.624 31.823 -0.119 0.000 0.648 388 V HN 0.559 nan 8.190 nan 0.000 0.447 389 A N -0.585 122.204 122.820 -0.052 0.000 1.877 389 A HA -0.199 4.121 4.320 -0.001 0.000 0.216 389 A C 2.364 179.930 177.584 -0.029 0.000 1.186 389 A CA 2.357 54.372 52.037 -0.037 0.000 0.620 389 A CB -0.587 18.397 19.000 -0.027 0.000 0.822 389 A HN 0.507 nan 8.150 nan 0.000 0.443 390 S N -0.365 115.321 115.700 -0.024 0.000 2.558 390 S HA 0.176 4.645 4.470 -0.001 0.000 0.217 390 S C 0.559 175.149 174.600 -0.016 0.000 0.975 390 S CA 0.100 58.291 58.200 -0.014 0.000 0.912 390 S CB -0.002 63.196 63.200 -0.004 0.000 0.776 390 S HN 0.457 nan 8.310 nan 0.000 0.526 391 S N 1.361 117.044 115.700 -0.029 0.000 2.593 391 S HA 0.343 4.812 4.470 -0.001 0.000 0.297 391 S C 0.115 174.689 174.600 -0.044 0.000 1.112 391 S CA -0.774 57.407 58.200 -0.032 0.000 1.043 391 S CB 1.362 64.534 63.200 -0.046 0.000 1.054 391 S HN 0.142 nan 8.310 nan 0.000 0.516 392 D N 0.570 120.946 120.400 -0.039 0.000 2.323 392 D HA 0.115 4.755 4.640 -0.001 0.000 0.218 392 D C 0.085 176.330 176.300 -0.092 0.000 0.973 392 D CA 0.825 54.793 54.000 -0.053 0.000 0.890 392 D CB 0.308 41.089 40.800 -0.031 0.000 1.011 392 D HN 0.221 nan 8.370 nan 0.000 0.499 393 V N 2.002 121.859 119.914 -0.095 0.000 2.448 393 V HA 0.344 4.464 4.120 -0.001 0.000 0.295 393 V C -0.271 175.741 176.094 -0.137 0.000 1.025 393 V CA -0.616 61.595 62.300 -0.148 0.000 0.859 393 V CB 2.055 33.788 31.823 -0.148 0.000 0.988 393 V HN -0.053 nan 8.190 nan 0.000 0.431 394 L N 5.524 126.651 121.223 -0.160 0.000 2.313 394 L HA 0.609 4.948 4.340 -0.001 0.000 0.283 394 L C -0.573 176.184 176.870 -0.187 0.000 1.013 394 L CA -0.701 54.034 54.840 -0.174 0.000 0.816 394 L CB 2.005 43.948 42.059 -0.193 0.000 1.236 394 L HN 0.351 nan 8.230 nan 0.000 0.419 395 V N 4.808 124.607 119.914 -0.192 0.000 2.347 395 V HA 0.266 4.386 4.120 -0.001 0.000 0.280 395 V C 0.076 176.042 176.094 -0.214 0.000 1.021 395 V CA -0.598 61.592 62.300 -0.184 0.000 0.847 395 V CB 1.532 33.256 31.823 -0.166 0.000 0.990 395 V HN 0.413 nan 8.190 nan 0.000 0.444 396 L N 5.245 126.370 121.223 -0.164 0.000 2.334 396 L HA 0.353 4.693 4.340 -0.001 0.000 0.286 396 L C 1.363 178.263 176.870 0.050 0.000 1.108 396 L CA 0.626 55.399 54.840 -0.110 0.000 0.875 396 L CB 0.056 42.124 42.059 0.016 0.000 1.246 396 L HN 0.771 nan 8.230 nan 0.000 0.439 397 G N 3.668 112.502 108.800 0.056 0.000 2.545 397 G HA2 -0.038 3.922 3.960 -0.001 0.000 0.212 397 G HA3 -0.038 3.922 3.960 -0.001 0.000 0.212 397 G C 0.573 175.615 174.900 0.237 0.000 1.144 397 G CA 0.172 45.320 45.100 0.080 0.000 0.813 397 G HN 0.641 nan 8.290 nan 0.000 0.531 398 N N -1.825 117.105 118.700 0.383 0.000 2.902 398 N HA 0.443 5.182 4.740 -0.001 0.000 0.268 398 N C 0.309 176.082 175.510 0.440 0.000 1.450 398 N CA -0.246 53.009 53.050 0.342 0.000 0.819 398 N CB 0.707 39.335 38.487 0.234 0.000 1.540 398 N HN -0.062 nan 8.380 nan 0.000 0.545 399 G N -0.808 108.120 108.800 0.214 0.000 3.530 399 G HA2 0.042 4.002 3.960 -0.001 0.000 0.269 399 G HA3 0.042 4.002 3.960 -0.001 0.000 0.269 399 G C -0.497 174.457 174.900 0.090 0.000 1.314 399 G CA -0.232 44.944 45.100 0.126 0.000 1.441 399 G HN 0.627 nan 8.290 nan 0.000 0.595 400 D N 0.433 120.831 120.400 -0.003 0.000 2.348 400 D HA 0.057 4.697 4.640 -0.001 0.000 0.253 400 D C 1.178 177.328 176.300 -0.251 0.000 1.161 400 D CA -0.126 53.661 54.000 -0.355 0.000 0.876 400 D CB 0.969 41.197 40.800 -0.954 0.000 1.160 400 D HN 0.342 nan 8.370 nan 0.000 0.459 401 E N 2.707 122.840 120.200 -0.113 0.000 2.333 401 E HA -0.128 4.222 4.350 -0.001 0.000 0.198 401 E C 1.776 178.342 176.600 -0.056 0.000 1.007 401 E CA 0.357 56.754 56.400 -0.005 0.000 0.845 401 E CB 0.240 29.931 29.700 -0.015 0.000 0.766 401 E HN 0.589 nan 8.360 nan 0.000 0.507 402 L N -0.001 121.099 121.223 -0.205 0.000 2.265 402 L HA -0.142 4.197 4.340 -0.001 0.000 0.215 402 L C 1.587 178.445 176.870 -0.021 0.000 1.117 402 L CA 0.573 55.331 54.840 -0.138 0.000 0.782 402 L CB -0.211 41.765 42.059 -0.138 0.000 0.914 402 L HN 0.149 nan 8.230 nan 0.000 0.441 403 F N -1.532 118.339 119.950 -0.132 0.000 2.710 403 F HA 0.005 4.531 4.527 -0.001 0.000 0.298 403 F C 2.197 177.764 175.800 -0.388 0.000 1.137 403 F CA -0.187 57.587 58.000 -0.376 0.000 1.444 403 F CB -1.360 37.210 39.000 -0.716 0.000 1.111 403 F HN -0.196 nan 8.300 nan 0.000 0.580 404 V N 0.506 120.439 119.914 0.031 0.000 2.287 404 V HA -0.334 3.786 4.120 -0.001 0.000 0.248 404 V C 2.293 178.408 176.094 0.035 0.000 1.053 404 V CA 2.364 64.732 62.300 0.113 0.000 1.027 404 V CB -0.631 31.293 31.823 0.169 0.000 0.646 404 V HN 0.231 nan 8.190 nan 0.000 0.447 405 D N -0.306 120.101 120.400 0.012 0.000 2.123 405 D HA -0.205 4.434 4.640 -0.001 0.000 0.196 405 D C 2.136 178.420 176.300 -0.026 0.000 0.992 405 D CA 1.338 55.336 54.000 -0.005 0.000 0.833 405 D CB -0.193 40.599 40.800 -0.013 0.000 0.954 405 D HN 0.348 nan 8.370 nan 0.000 0.455 406 L N -0.124 121.066 121.223 -0.055 0.000 2.042 406 L HA -0.161 4.178 4.340 -0.001 0.000 0.210 406 L C 2.211 179.039 176.870 -0.070 0.000 1.076 406 L CA 1.169 55.958 54.840 -0.085 0.000 0.749 406 L CB -0.240 41.731 42.059 -0.146 0.000 0.893 406 L HN 0.094 nan 8.230 nan 0.000 0.432 407 V N 0.195 120.071 119.914 -0.063 0.000 2.453 407 V HA -0.226 3.894 4.120 -0.001 0.000 0.247 407 V C 2.103 178.209 176.094 0.020 0.000 1.048 407 V CA 1.756 64.047 62.300 -0.015 0.000 1.049 407 V CB -0.726 31.116 31.823 0.032 0.000 0.672 407 V HN 0.509 nan 8.190 nan 0.000 0.457 408 N N 0.703 119.418 118.700 0.024 0.000 2.270 408 N HA 0.002 4.741 4.740 -0.001 0.000 0.181 408 N C 1.014 176.532 175.510 0.013 0.000 1.016 408 N CA 1.442 54.510 53.050 0.029 0.000 0.870 408 N CB -0.196 38.309 38.487 0.030 0.000 0.979 408 N HN 0.608 nan 8.380 nan 0.000 0.431 409 K N 0.596 120.994 120.400 -0.002 0.000 2.827 409 K HA 0.387 4.707 4.320 -0.001 0.000 0.186 409 K C -0.508 176.077 176.600 -0.023 0.000 1.093 409 K CA -0.571 55.710 56.287 -0.010 0.000 0.993 409 K CB -0.525 31.968 32.500 -0.011 0.000 1.199 409 K HN -0.033 nan 8.250 nan 0.000 0.598 410 T N 4.334 118.874 114.554 -0.024 0.000 2.761 410 T HA 0.373 4.722 4.350 -0.001 0.000 0.296 410 T C -2.057 172.621 174.700 -0.037 0.000 0.934 410 T CA -0.866 61.211 62.100 -0.038 0.000 1.091 410 T CB 0.739 69.586 68.868 -0.036 0.000 0.896 410 T HN 0.454 nan 8.240 nan 0.000 0.515 411 P HA 0.125 nan 4.420 nan 0.000 0.267 411 P C 0.001 177.278 177.300 -0.038 0.000 1.200 411 P CA -0.368 62.709 63.100 -0.039 0.000 0.772 411 P CB 0.306 31.979 31.700 -0.045 0.000 0.855 412 S N 0.822 116.503 115.700 -0.030 0.000 2.576 412 S HA 0.353 4.822 4.470 -0.001 0.000 0.272 412 S C 1.342 175.922 174.600 -0.033 0.000 1.352 412 S CA 0.088 58.271 58.200 -0.028 0.000 1.021 412 S CB -0.074 63.113 63.200 -0.022 0.000 0.887 412 S HN 1.029 nan 8.310 nan 0.000 0.542 413 G N 0.280 109.060 108.800 -0.033 0.000 2.148 413 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.254 413 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.254 413 G C -0.120 174.750 174.900 -0.050 0.000 0.981 413 G CA 0.297 45.376 45.100 -0.035 0.000 0.670 413 G HN 0.681 nan 8.290 nan 0.000 0.528 414 K N -0.077 120.286 120.400 -0.061 0.000 2.166 414 K HA 0.687 5.006 4.320 -0.001 0.000 0.245 414 K C -0.085 176.450 176.600 -0.109 0.000 0.967 414 K CA -0.749 55.487 56.287 -0.085 0.000 0.863 414 K CB 1.518 33.965 32.500 -0.088 0.000 1.107 414 K HN 0.038 nan 8.250 nan 0.000 0.436 415 K N 2.065 122.370 120.400 -0.160 0.000 2.292 415 K HA 0.465 4.784 4.320 -0.001 0.000 0.257 415 K C -0.152 176.323 176.600 -0.209 0.000 0.940 415 K CA -0.569 55.583 56.287 -0.225 0.000 0.811 415 K CB 1.479 33.719 32.500 -0.432 0.000 1.120 415 K HN 0.464 nan 8.250 nan 0.000 0.428 416 L N 2.238 123.368 121.223 -0.155 0.000 2.325 416 L HA 0.489 4.829 4.340 -0.001 0.000 0.279 416 L C -0.201 176.598 176.870 -0.117 0.000 1.054 416 L CA -1.236 53.530 54.840 -0.124 0.000 0.804 416 L CB 1.598 43.618 42.059 -0.064 0.000 1.200 416 L HN 0.132 nan 8.230 nan 0.000 0.436 417 V N 1.527 121.371 119.914 -0.118 0.000 2.349 417 V HA 0.185 4.304 4.120 -0.001 0.000 0.284 417 V C -0.623 175.426 176.094 -0.074 0.000 1.014 417 V CA -0.545 61.692 62.300 -0.105 0.000 0.826 417 V CB 1.604 33.350 31.823 -0.127 0.000 1.009 417 V HN 0.619 nan 8.190 nan 0.000 0.431 418 D N 4.492 124.885 120.400 -0.012 0.000 2.396 418 D HA 0.349 4.988 4.640 -0.001 0.000 0.225 418 D C 0.665 177.019 176.300 0.090 0.000 1.121 418 D CA -0.176 53.913 54.000 0.149 0.000 0.853 418 D CB 1.392 42.422 40.800 0.383 0.000 1.043 418 D HN 0.435 nan 8.370 nan 0.000 0.500 419 L N 2.887 124.155 121.223 0.075 0.000 2.607 419 L HA 0.130 4.469 4.340 -0.001 0.000 0.228 419 L C 1.292 178.317 176.870 0.259 0.000 1.123 419 L CA -0.075 54.771 54.840 0.010 0.000 0.890 419 L CB 0.435 42.317 42.059 -0.296 0.000 1.103 419 L HN 0.314 nan 8.230 nan 0.000 0.468 420 V N -1.027 119.127 119.914 0.401 0.000 3.137 420 V HA 0.354 4.473 4.120 -0.001 0.000 0.236 420 V C 1.277 177.466 176.094 0.158 0.000 1.260 420 V CA 0.904 63.375 62.300 0.284 0.000 1.244 420 V CB 0.989 32.949 31.823 0.229 0.000 1.016 420 V HN 0.457 nan 8.190 nan 0.000 0.477 421 G N -0.451 108.474 108.800 0.209 0.000 2.157 421 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.118 421 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.118 421 G C 0.322 175.079 174.900 -0.237 0.000 1.032 421 G CA 0.055 44.975 45.100 -0.299 0.000 0.697 421 G HN 0.266 nan 8.290 nan 0.000 0.495 422 F N 0.889 120.856 119.950 0.028 0.000 2.234 422 F HA 0.282 4.808 4.527 -0.001 0.000 0.299 422 F C 2.255 178.048 175.800 -0.012 0.000 1.087 422 F CA 0.938 58.948 58.000 0.018 0.000 1.340 422 F CB -0.109 38.941 39.000 0.084 0.000 1.031 422 F HN 0.190 nan 8.300 nan 0.000 0.500 423 M N 1.431 121.156 119.600 0.208 0.000 2.248 423 M HA -0.008 4.471 4.480 -0.001 0.000 0.345 423 M C -1.219 175.065 176.300 -0.026 0.000 1.243 423 M CA -1.109 54.276 55.300 0.142 0.000 1.090 423 M CB 0.116 32.886 32.600 0.283 0.000 1.683 423 M HN -0.182 nan 8.290 nan 0.000 0.450 424 P HA -0.035 nan 4.420 nan 0.000 0.222 424 P C -0.123 176.924 177.300 -0.423 0.000 1.153 424 P CA 1.451 64.450 63.100 -0.168 0.000 0.798 424 P CB 0.273 31.969 31.700 -0.007 0.000 0.796 425 H N -2.436 116.634 119.070 0.000 0.000 3.476 425 H HA 0.288 4.844 4.556 -0.001 0.000 0.317 425 H C 0.262 175.652 175.328 0.102 0.000 1.674 425 H CA -0.369 55.691 56.048 0.021 0.000 1.247 425 H CB 0.450 30.233 29.762 0.034 0.000 1.740 425 H HN -0.161 nan 8.280 nan 0.000 0.667 426 T N -0.705 114.024 114.554 0.292 0.000 2.732 426 T HA 0.138 4.488 4.350 -0.001 0.000 0.287 426 T C 0.425 175.278 174.700 0.255 0.000 0.993 426 T CA -0.635 61.647 62.100 0.302 0.000 0.966 426 T CB 0.164 69.158 68.868 0.210 0.000 1.047 426 T HN 0.381 nan 8.240 nan 0.000 0.527 427 T N 2.357 117.033 114.554 0.203 0.000 2.934 427 T HA 0.390 4.740 4.350 -0.001 0.000 0.306 427 T C 0.762 175.512 174.700 0.083 0.000 1.042 427 T CA 0.146 62.314 62.100 0.114 0.000 1.145 427 T CB -0.115 68.778 68.868 0.043 0.000 0.982 427 T HN 0.977 nan 8.240 nan 0.000 0.544 428 T N -0.637 113.958 114.554 0.068 0.000 2.858 428 T HA 0.691 5.040 4.350 -0.001 0.000 0.285 428 T C 1.554 176.274 174.700 0.034 0.000 1.052 428 T CA -0.430 61.696 62.100 0.044 0.000 1.009 428 T CB 1.278 70.170 68.868 0.039 0.000 1.241 428 T HN 0.379 nan 8.240 nan 0.000 0.542 429 A N -0.180 122.655 122.820 0.025 0.000 2.076 429 A HA 0.150 4.470 4.320 -0.001 0.000 0.220 429 A C 2.535 180.128 177.584 0.015 0.000 1.160 429 A CA 2.327 54.378 52.037 0.025 0.000 0.653 429 A CB -1.559 17.451 19.000 0.017 0.000 0.801 429 A HN 1.169 nan 8.150 nan 0.000 0.455 430 Q N -1.595 118.208 119.800 0.006 0.000 2.376 430 Q HA 0.650 4.990 4.340 -0.001 0.000 0.206 430 Q C 0.763 176.747 176.000 -0.028 0.000 0.921 430 Q CA 1.160 56.953 55.803 -0.017 0.000 0.911 430 Q CB -0.323 28.408 28.738 -0.012 0.000 1.032 430 Q HN 1.576 nan 8.270 nan 0.000 0.510 431 A N -0.132 122.690 122.820 0.004 0.000 2.488 431 A HA 0.641 4.960 4.320 -0.001 0.000 0.295 431 A C -1.317 176.288 177.584 0.035 0.000 1.045 431 A CA -0.341 51.703 52.037 0.013 0.000 0.703 431 A CB 1.524 20.553 19.000 0.048 0.000 1.271 431 A HN 0.282 nan 8.150 nan 0.000 0.400 432 E N 1.631 121.832 120.200 0.002 0.000 2.248 432 E HA 0.619 4.968 4.350 -0.001 0.000 0.267 432 E C 0.092 176.603 176.600 -0.149 0.000 0.877 432 E CA -0.560 55.815 56.400 -0.042 0.000 0.759 432 E CB 1.887 31.569 29.700 -0.031 0.000 1.182 432 E HN 0.929 nan 8.360 nan 0.000 0.418 433 G N 3.025 111.590 108.800 -0.391 0.000 2.412 433 G HA2 0.241 4.200 3.960 -0.001 0.000 0.318 433 G HA3 0.241 4.200 3.960 -0.001 0.000 0.318 433 G C 0.472 174.764 174.900 -1.013 0.000 1.146 433 G CA -0.616 43.816 45.100 -1.113 0.000 0.882 433 G HN 0.764 nan 8.290 nan 0.000 0.501 434 I N -0.313 119.623 120.570 -1.057 0.000 2.546 434 I HA -0.030 4.139 4.170 -0.001 0.000 0.255 434 I C 0.824 176.637 176.117 -0.507 0.000 1.163 434 I CA 0.816 61.772 61.300 -0.574 0.000 1.457 434 I CB 0.293 38.106 38.000 -0.313 0.000 1.092 434 I HN 0.350 nan 8.210 nan 0.000 0.434 435 C N 0.472 119.298 119.300 -0.790 0.000 3.101 435 C HA 0.353 4.812 4.460 -0.001 0.000 0.253 435 C C -0.610 174.496 174.990 0.193 0.000 1.754 435 C CA -0.827 58.109 59.018 -0.136 0.000 1.756 435 C CB -1.743 26.105 27.740 0.181 0.000 3.227 435 C HN 0.685 nan 8.230 nan 0.000 0.483 436 W N 0.000 121.318 121.300 0.029 0.000 2.388 436 W HA 0.000 4.659 4.660 -0.001 0.000 0.303 436 W CA 0.000 57.362 57.345 0.029 0.000 1.226 436 W CB 0.000 29.476 29.460 0.026 0.000 1.126 436 W HN 0.000 nan 8.180 nan 0.000 0.535