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 1qki_1_A DATA FIRST_RESID 12 DATA SEQUENCE VCGXXXXXXX XXXXXHQSDT HIFIIMGASG DLAKKKIYPT IWWLFRDGLL DATA SEQUENCE PENTFIVGYA RSRLTVADIR KQSEPFFKAT PEEKLKLEDF FARNSYVAGQ DATA SEQUENCE YDDAASYQRL NSHMNALHLG SQANRLFYLA LPPTVYEAVT KNIHESCMSQ DATA SEQUENCE IGWNRIIVEK PFGRDLQSSD RLSNHISSLF REDQIYRIDH YLGKEMVQNL DATA SEQUENCE MVLRFANRIF GPIWNRDNIA CVILTFKEPF GTEGRGGYFD EFGIIRDVMQ DATA SEQUENCE NHLLQMLCLV AMEKPASTNS DDVRDEKVKV LKCISEVQAN NVVLGQYVGN DATA SEQUENCE PDGEGEATKG YLDDPTVPRG STTATFAAVV LYVENERWDG VPFILRCGKA DATA SEQUENCE LNERKAEVRL QFHDVAGDIF HQQCKRNELV IRVQPNEAVY TKMMTKKPGM DATA SEQUENCE FFNPEESELD LTYGNRYKNV KLPDAYERLI LDVFCGSQMH FVRSDELLEA DATA SEQUENCE WRIFTPLLHQ IELEKPKPIP YIYGSRGPTE ADELMKRVGF QYEGTYKWVN 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 12 V HA 0.000 nan 4.120 nan 0.000 0.244 12 V C 0.000 176.101 176.094 0.011 0.000 1.182 12 V CA 0.000 62.303 62.300 0.005 0.000 1.235 12 V CB 0.000 31.827 31.823 0.006 0.000 1.184 13 C N 3.251 122.557 119.300 0.010 0.000 2.673 13 C HA 0.810 5.270 4.460 -0.000 0.000 0.274 13 C C 1.673 176.678 174.990 0.024 0.000 1.276 13 C CA 0.789 59.817 59.018 0.017 0.000 1.701 13 C CB -0.909 26.836 27.740 0.008 0.000 1.836 13 C HN 2.887 nan 8.230 nan 0.000 0.596 28 Q N 0.216 120.112 119.800 0.161 0.000 1.967 28 Q HA -0.024 4.316 4.340 -0.000 0.000 0.210 28 Q C 0.750 176.817 176.000 0.111 0.000 1.005 28 Q CA 2.017 57.889 55.803 0.116 0.000 0.862 28 Q CB -0.274 28.513 28.738 0.082 0.000 0.939 28 Q HN 0.280 nan 8.270 nan 0.000 0.417 29 S N 0.888 116.632 115.700 0.073 0.000 2.733 29 S HA 0.496 4.966 4.470 -0.000 0.000 0.307 29 S C -1.670 172.923 174.600 -0.012 0.000 1.127 29 S CA -0.672 57.569 58.200 0.070 0.000 1.097 29 S CB 1.026 64.261 63.200 0.060 0.000 1.003 29 S HN 0.609 nan 8.310 nan 0.000 0.477 30 D N 1.209 121.574 120.400 -0.057 0.000 2.442 30 D HA 0.507 5.147 4.640 -0.000 0.000 0.254 30 D C -0.173 175.949 176.300 -0.296 0.000 1.069 30 D CA -0.351 53.485 54.000 -0.273 0.000 1.017 30 D CB 0.740 41.241 40.800 -0.499 0.000 1.172 30 D HN 0.275 nan 8.370 nan 0.000 0.561 31 T N 0.432 114.759 114.554 -0.379 0.000 2.889 31 T HA 0.324 4.674 4.350 -0.000 0.000 0.291 31 T C -0.502 173.886 174.700 -0.522 0.000 0.995 31 T CA -0.305 61.612 62.100 -0.304 0.000 1.092 31 T CB 0.344 69.099 68.868 -0.188 0.000 0.954 31 T HN 0.225 nan 8.240 nan 0.000 0.506 32 H N 1.420 120.399 119.070 -0.152 0.000 2.717 32 H HA 0.488 5.044 4.556 -0.000 0.000 0.366 32 H C -0.690 174.603 175.328 -0.058 0.000 1.132 32 H CA -0.664 55.300 56.048 -0.141 0.000 1.180 32 H CB 1.888 31.667 29.762 0.029 0.000 1.678 32 H HN 0.411 nan 8.280 nan 0.000 0.537 33 I N 2.808 123.382 120.570 0.006 0.000 2.418 33 I HA 0.101 4.271 4.170 -0.000 0.000 0.287 33 I C -0.794 175.334 176.117 0.017 0.000 1.008 33 I CA -0.654 60.663 61.300 0.028 0.000 1.104 33 I CB 1.656 39.604 38.000 -0.086 0.000 1.264 33 I HN 0.331 nan 8.210 nan 0.000 0.438 34 F N 8.294 128.226 119.950 -0.029 0.000 2.309 34 F HA 0.512 5.039 4.527 -0.000 0.000 0.366 34 F C -0.219 175.539 175.800 -0.070 0.000 1.104 34 F CA -0.780 57.207 58.000 -0.022 0.000 1.179 34 F CB 0.326 39.412 39.000 0.144 0.000 1.437 34 F HN 0.220 nan 8.300 nan 0.000 0.528 35 I N 6.602 126.893 120.570 -0.465 0.000 2.396 35 I HA 0.112 4.282 4.170 -0.000 0.000 0.289 35 I C 0.085 175.956 176.117 -0.409 0.000 1.056 35 I CA 0.239 61.313 61.300 -0.376 0.000 1.365 35 I CB 0.510 38.220 38.000 -0.483 0.000 1.407 35 I HN 0.366 nan 8.210 nan 0.000 0.509 36 I N 7.152 127.582 120.570 -0.234 0.000 2.316 36 I HA 0.213 4.383 4.170 -0.000 0.000 0.286 36 I C -0.317 175.802 176.117 0.003 0.000 1.107 36 I CA -0.495 60.680 61.300 -0.209 0.000 1.219 36 I CB 0.126 37.954 38.000 -0.287 0.000 1.455 36 I HN 0.398 nan 8.210 nan 0.000 0.498 37 M N 3.978 123.592 119.600 0.024 0.000 2.246 37 M HA 0.196 4.676 4.480 -0.000 0.000 0.350 37 M C 1.207 177.574 176.300 0.112 0.000 1.406 37 M CA 0.258 55.598 55.300 0.068 0.000 1.089 37 M CB -0.249 32.353 32.600 0.004 0.000 1.782 37 M HN 0.839 nan 8.290 nan 0.000 0.457 38 G N 2.447 111.385 108.800 0.230 0.000 2.149 38 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.235 38 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.235 38 G C 0.893 175.938 174.900 0.241 0.000 1.018 38 G CA 0.477 45.715 45.100 0.229 0.000 0.728 38 G HN 1.013 nan 8.290 nan 0.000 0.508 39 A N 0.147 123.151 122.820 0.308 0.000 2.139 39 A HA 0.135 4.455 4.320 -0.000 0.000 0.221 39 A C 2.577 180.399 177.584 0.397 0.000 1.159 39 A CA 2.652 54.927 52.037 0.397 0.000 0.662 39 A CB -0.496 18.839 19.000 0.558 0.000 0.796 39 A HN 1.799 nan 8.150 nan 0.000 0.463 40 S N -0.729 115.168 115.700 0.328 0.000 2.478 40 S HA 0.282 4.752 4.470 -0.000 0.000 0.222 40 S C 1.241 175.943 174.600 0.169 0.000 1.008 40 S CA 0.279 58.620 58.200 0.235 0.000 0.928 40 S CB -0.717 62.621 63.200 0.229 0.000 0.781 40 S HN 0.728 nan 8.310 nan 0.000 0.518 41 G N 1.094 109.992 108.800 0.163 0.000 2.594 41 G HA2 0.229 4.189 3.960 -0.000 0.000 0.243 41 G HA3 0.229 4.189 3.960 -0.000 0.000 0.243 41 G C 0.094 175.031 174.900 0.061 0.000 1.229 41 G CA -0.200 44.961 45.100 0.101 0.000 0.843 41 G HN 0.147 nan 8.290 nan 0.000 0.578 42 D N -0.342 120.073 120.400 0.026 0.000 2.116 42 D HA -0.175 4.465 4.640 -0.000 0.000 0.193 42 D C 2.446 178.709 176.300 -0.063 0.000 0.998 42 D CA 0.994 54.987 54.000 -0.012 0.000 0.836 42 D CB -0.016 40.772 40.800 -0.020 0.000 0.951 42 D HN 0.237 nan 8.370 nan 0.000 0.449 43 L N 0.260 121.446 121.223 -0.061 0.000 2.046 43 L HA -0.080 4.259 4.340 -0.000 0.000 0.208 43 L C 2.001 178.777 176.870 -0.156 0.000 1.077 43 L CA 1.991 56.759 54.840 -0.120 0.000 0.747 43 L CB -0.927 41.090 42.059 -0.070 0.000 0.896 43 L HN 0.034 nan 8.230 nan 0.000 0.432 44 A N 0.591 123.371 122.820 -0.067 0.000 1.835 44 A HA -0.273 4.047 4.320 -0.000 0.000 0.215 44 A C 2.267 179.902 177.584 0.085 0.000 1.199 44 A CA 2.308 54.330 52.037 -0.026 0.000 0.615 44 A CB -0.790 18.276 19.000 0.110 0.000 0.838 44 A HN 0.638 nan 8.150 nan 0.000 0.444 45 K N -0.403 120.065 120.400 0.113 0.000 2.283 45 K HA -0.075 4.245 4.320 -0.000 0.000 0.202 45 K C 1.397 177.846 176.600 -0.252 0.000 1.048 45 K CA 1.701 58.020 56.287 0.054 0.000 0.948 45 K CB -0.130 32.403 32.500 0.056 0.000 0.742 45 K HN 0.426 nan 8.250 nan 0.000 0.458 46 K N -0.522 119.652 120.400 -0.377 0.000 2.354 46 K HA 0.108 4.428 4.320 -0.000 0.000 0.194 46 K C 1.259 177.470 176.600 -0.649 0.000 1.038 46 K CA 0.248 56.086 56.287 -0.749 0.000 1.052 46 K CB 0.544 32.721 32.500 -0.539 0.000 0.861 46 K HN -0.023 nan 8.250 nan 0.000 0.535 47 K N -0.099 120.019 120.400 -0.471 0.000 2.757 47 K HA 0.195 4.515 4.320 -0.000 0.000 0.201 47 K C 1.523 177.857 176.600 -0.444 0.000 1.495 47 K CA 0.036 56.028 56.287 -0.491 0.000 1.090 47 K CB 0.226 32.375 32.500 -0.585 0.000 1.796 47 K HN -0.191 nan 8.250 nan 0.000 0.523 48 I N 1.268 121.598 120.570 -0.399 0.000 2.127 48 I HA -0.255 3.915 4.170 -0.000 0.000 0.241 48 I C 1.993 177.959 176.117 -0.252 0.000 1.075 48 I CA 1.790 62.871 61.300 -0.365 0.000 1.334 48 I CB -1.096 36.613 38.000 -0.485 0.000 1.040 48 I HN 0.179 nan 8.210 nan 0.000 0.405 49 Y N 0.784 120.997 120.300 -0.145 0.000 2.114 49 Y HA -0.132 4.418 4.550 -0.000 0.000 0.284 49 Y C 0.058 175.845 175.900 -0.188 0.000 1.143 49 Y CA 1.833 59.909 58.100 -0.039 0.000 1.135 49 Y CB -2.233 36.256 38.460 0.048 0.000 0.980 49 Y HN 0.166 nan 8.280 nan 0.000 0.499 50 P HA -0.168 nan 4.420 nan 0.000 0.214 50 P C 1.665 178.106 177.300 -1.432 0.000 1.163 50 P CA 2.800 65.333 63.100 -0.945 0.000 0.889 50 P CB -0.165 30.855 31.700 -1.134 0.000 0.790 51 T N -0.154 113.850 114.554 -0.917 0.000 2.635 51 T HA -0.214 4.136 4.350 -0.000 0.000 0.267 51 T C 1.738 176.287 174.700 -0.252 0.000 1.040 51 T CA 1.414 63.263 62.100 -0.418 0.000 1.156 51 T CB -1.072 67.730 68.868 -0.109 0.000 0.863 51 T HN 0.005 nan 8.240 nan 0.000 0.430 52 I N 0.801 121.241 120.570 -0.217 0.000 2.335 52 I HA -0.141 4.029 4.170 -0.000 0.000 0.251 52 I C 2.007 178.104 176.117 -0.033 0.000 1.129 52 I CA 1.022 62.223 61.300 -0.165 0.000 1.402 52 I CB -0.417 37.447 38.000 -0.226 0.000 1.069 52 I HN 0.552 nan 8.210 nan 0.000 0.424 53 W N 0.143 121.232 121.300 -0.351 0.000 2.418 53 W HA -0.140 4.520 4.660 -0.000 0.000 0.292 53 W C 1.859 178.259 176.519 -0.198 0.000 1.213 53 W CA 0.809 57.769 57.345 -0.643 0.000 1.283 53 W CB -1.370 27.413 29.460 -1.128 0.000 1.119 53 W HN 0.170 nan 8.180 nan 0.000 0.542 54 W N 0.492 121.544 121.300 -0.413 0.000 2.363 54 W HA -0.121 4.539 4.660 -0.000 0.000 0.296 54 W C 2.104 178.543 176.519 -0.133 0.000 1.212 54 W CA 0.823 57.952 57.345 -0.360 0.000 1.260 54 W CB -1.565 27.651 29.460 -0.407 0.000 1.131 54 W HN -0.068 nan 8.180 nan 0.000 0.530 55 L N -0.866 120.425 121.223 0.112 0.000 2.141 55 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 55 L C 2.292 179.196 176.870 0.056 0.000 1.094 55 L CA 1.521 56.376 54.840 0.025 0.000 0.763 55 L CB -1.487 40.518 42.059 -0.090 0.000 0.908 55 L HN -0.115 nan 8.230 nan 0.000 0.437 56 F N 0.060 120.011 119.950 0.001 0.000 2.098 56 F HA -0.137 4.390 4.527 -0.000 0.000 0.294 56 F C 2.758 178.605 175.800 0.079 0.000 1.107 56 F CA 1.520 59.553 58.000 0.055 0.000 1.234 56 F CB -0.386 38.727 39.000 0.188 0.000 1.002 56 F HN -0.034 nan 8.300 nan 0.000 0.472 57 R N 0.513 121.074 120.500 0.102 0.000 2.112 57 R HA -0.215 4.125 4.340 -0.000 0.000 0.242 57 R C 1.501 177.754 176.300 -0.079 0.000 1.137 57 R CA 2.343 58.464 56.100 0.034 0.000 0.944 57 R CB -0.797 29.674 30.300 0.285 0.000 0.857 57 R HN 0.279 nan 8.270 nan 0.000 0.435 58 D N -0.899 119.479 120.400 -0.037 0.000 2.378 58 D HA 0.034 4.674 4.640 -0.000 0.000 0.227 58 D C 0.769 177.010 176.300 -0.099 0.000 1.012 58 D CA 1.179 55.143 54.000 -0.061 0.000 0.905 58 D CB 0.084 40.856 40.800 -0.045 0.000 0.895 58 D HN 0.615 nan 8.370 nan 0.000 0.532 59 G N 0.911 109.614 108.800 -0.162 0.000 2.225 59 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.264 59 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.264 59 G C 0.744 175.577 174.900 -0.111 0.000 1.060 59 G CA 0.026 45.023 45.100 -0.171 0.000 0.833 59 G HN 0.262 nan 8.290 nan 0.000 0.498 60 L N -0.719 120.441 121.223 -0.104 0.000 2.357 60 L HA 0.430 4.770 4.340 -0.000 0.000 0.211 60 L C 1.956 178.736 176.870 -0.151 0.000 1.075 60 L CA 0.689 55.465 54.840 -0.106 0.000 0.830 60 L CB -0.220 41.778 42.059 -0.103 0.000 0.996 60 L HN 0.414 nan 8.230 nan 0.000 0.467 61 L N 0.708 121.841 121.223 -0.150 0.000 2.439 61 L HA 0.194 4.534 4.340 -0.000 0.000 0.269 61 L C -1.771 175.047 176.870 -0.088 0.000 1.179 61 L CA -1.775 52.945 54.840 -0.201 0.000 0.828 61 L CB -0.008 41.996 42.059 -0.091 0.000 1.106 61 L HN -0.059 nan 8.230 nan 0.000 0.467 62 P HA 0.004 nan 4.420 nan 0.000 0.268 62 P C 0.452 177.776 177.300 0.040 0.000 1.208 62 P CA -0.224 62.874 63.100 -0.004 0.000 0.777 62 P CB 0.576 32.286 31.700 0.017 0.000 0.875 63 E N 0.762 120.989 120.200 0.045 0.000 2.070 63 E HA -0.171 4.179 4.350 -0.000 0.000 0.197 63 E C 0.082 176.677 176.600 -0.007 0.000 1.004 63 E CA 1.191 57.615 56.400 0.041 0.000 0.805 63 E CB -0.192 29.531 29.700 0.037 0.000 0.744 63 E HN 0.462 nan 8.360 nan 0.000 0.451 64 N N 1.718 120.396 118.700 -0.036 0.000 3.034 64 N HA 0.083 4.823 4.740 -0.000 0.000 0.265 64 N C -1.014 174.311 175.510 -0.307 0.000 1.166 64 N CA 0.296 53.221 53.050 -0.209 0.000 1.081 64 N CB 1.141 39.549 38.487 -0.131 0.000 1.378 64 N HN -0.081 nan 8.380 nan 0.000 0.520 65 T N 1.426 115.716 114.554 -0.441 0.000 2.861 65 T HA 0.567 4.917 4.350 -0.000 0.000 0.287 65 T C -0.651 173.693 174.700 -0.593 0.000 1.003 65 T CA -0.350 61.566 62.100 -0.306 0.000 0.977 65 T CB 0.896 69.752 68.868 -0.019 0.000 0.996 65 T HN 0.055 nan 8.240 nan 0.000 0.448 66 F N 1.912 121.888 119.950 0.045 0.000 2.556 66 F HA 0.653 5.180 4.527 -0.000 0.000 0.314 66 F C -0.512 175.297 175.800 0.015 0.000 1.106 66 F CA -1.452 56.531 58.000 -0.028 0.000 0.911 66 F CB 1.153 40.128 39.000 -0.043 0.000 1.190 66 F HN 0.299 nan 8.300 nan 0.000 0.448 67 I N 3.337 124.006 120.570 0.165 0.000 2.354 67 I HA 0.493 4.663 4.170 -0.000 0.000 0.292 67 I C -0.623 175.599 176.117 0.175 0.000 0.989 67 I CA -0.641 60.772 61.300 0.188 0.000 1.188 67 I CB 1.568 39.649 38.000 0.136 0.000 1.342 67 I HN 0.219 nan 8.210 nan 0.000 0.457 68 V N 5.936 125.942 119.914 0.153 0.000 2.349 68 V HA 0.617 4.737 4.120 -0.000 0.000 0.284 68 V C 0.636 176.822 176.094 0.153 0.000 1.014 68 V CA -0.677 61.705 62.300 0.136 0.000 0.826 68 V CB 1.113 32.957 31.823 0.035 0.000 1.009 68 V HN 0.881 nan 8.190 nan 0.000 0.431 69 G N 2.837 111.803 108.800 0.277 0.000 2.539 69 G HA2 0.477 4.437 3.960 -0.000 0.000 0.258 69 G HA3 0.477 4.437 3.960 -0.000 0.000 0.258 69 G C -1.480 173.481 174.900 0.103 0.000 1.202 69 G CA -0.117 45.182 45.100 0.331 0.000 0.851 69 G HN 0.608 nan 8.290 nan 0.000 0.556 70 Y N -0.102 120.173 120.300 -0.040 0.000 2.482 70 Y HA 0.612 5.162 4.550 -0.000 0.000 0.334 70 Y C -0.418 175.494 175.900 0.020 0.000 1.091 70 Y CA -0.643 57.337 58.100 -0.200 0.000 1.027 70 Y CB 1.632 40.033 38.460 -0.097 0.000 1.306 70 Y HN 1.064 nan 8.280 nan 0.000 0.446 71 A N 5.511 128.429 122.820 0.164 0.000 2.566 71 A HA 0.484 4.804 4.320 -0.000 0.000 0.290 71 A C 0.086 177.690 177.584 0.033 0.000 1.071 71 A CA -0.457 51.804 52.037 0.373 0.000 0.658 71 A CB 0.980 20.235 19.000 0.425 0.000 1.285 71 A HN 0.893 nan 8.150 nan 0.000 0.427 72 R N 0.388 120.867 120.500 -0.035 0.000 2.083 72 R HA -0.039 4.301 4.340 -0.000 0.000 0.237 72 R C 1.270 177.545 176.300 -0.042 0.000 1.137 72 R CA 1.904 57.896 56.100 -0.181 0.000 0.951 72 R CB -0.583 29.638 30.300 -0.132 0.000 0.851 72 R HN 0.572 nan 8.270 nan 0.000 0.434 73 S N 0.032 115.773 115.700 0.069 0.000 2.617 73 S HA 0.398 4.868 4.470 -0.000 0.000 0.259 73 S C 0.246 174.939 174.600 0.156 0.000 1.301 73 S CA 0.180 58.430 58.200 0.083 0.000 0.984 73 S CB 0.914 64.164 63.200 0.083 0.000 0.954 73 S HN 0.613 nan 8.310 nan 0.000 0.572 74 R N 2.096 122.655 120.500 0.099 0.000 2.983 74 R HA 0.471 4.811 4.340 -0.000 0.000 0.300 74 R C -0.214 176.045 176.300 -0.069 0.000 1.367 74 R CA -0.317 55.867 56.100 0.141 0.000 1.564 74 R CB -0.913 29.424 30.300 0.061 0.000 1.314 74 R HN 0.711 nan 8.270 nan 0.000 0.622 75 L N 3.135 124.175 121.223 -0.305 0.000 2.597 75 L HA 0.222 4.562 4.340 -0.000 0.000 0.261 75 L C 1.679 178.298 176.870 -0.418 0.000 1.389 75 L CA 0.982 55.583 54.840 -0.397 0.000 1.203 75 L CB -1.768 40.020 42.059 -0.453 0.000 1.401 75 L HN 1.017 nan 8.230 nan 0.000 0.443 76 T N -0.414 114.003 114.554 -0.228 0.000 1.373 76 T HA -0.237 4.113 4.350 -0.000 0.000 0.770 76 T C 0.391 174.989 174.700 -0.170 0.000 0.997 76 T CA 1.688 63.689 62.100 -0.165 0.000 4.056 76 T CB -0.870 67.911 68.868 -0.144 0.000 2.302 76 T HN 0.441 nan 8.240 nan 0.000 0.397 77 V N -0.382 119.456 119.914 -0.127 0.000 3.365 77 V HA 0.887 5.007 4.120 -0.000 0.000 0.312 77 V C 2.204 178.247 176.094 -0.084 0.000 1.124 77 V CA 0.577 62.832 62.300 -0.075 0.000 1.023 77 V CB 0.206 31.998 31.823 -0.052 0.000 1.198 77 V HN 2.401 nan 8.190 nan 0.000 0.452 78 A N 0.560 123.378 122.820 -0.004 0.000 1.862 78 A HA -0.128 4.192 4.320 -0.000 0.000 0.214 78 A C 1.954 179.517 177.584 -0.035 0.000 1.228 78 A CA 2.965 55.029 52.037 0.045 0.000 0.665 78 A CB -1.492 17.576 19.000 0.114 0.000 0.845 78 A HN 1.928 nan 8.150 nan 0.000 0.459 79 D N -1.370 118.980 120.400 -0.083 0.000 2.417 79 D HA 0.259 4.899 4.640 -0.000 0.000 0.225 79 D C 1.274 177.406 176.300 -0.280 0.000 0.983 79 D CA 2.073 55.883 54.000 -0.317 0.000 0.949 79 D CB -1.195 39.442 40.800 -0.270 0.000 0.879 79 D HN 0.843 nan 8.370 nan 0.000 0.520 80 I N -0.298 120.160 120.570 -0.186 0.000 5.336 80 I HA 0.301 4.471 4.170 -0.000 0.000 0.226 80 I C 2.460 178.482 176.117 -0.159 0.000 0.934 80 I CA 0.721 61.925 61.300 -0.161 0.000 1.596 80 I CB -0.834 37.087 38.000 -0.133 0.000 1.414 80 I HN 0.162 nan 8.210 nan 0.000 0.450 81 R N 1.278 121.684 120.500 -0.157 0.000 2.148 81 R HA 0.007 4.347 4.340 -0.000 0.000 0.227 81 R C 1.038 177.259 176.300 -0.131 0.000 1.103 81 R CA 0.505 56.523 56.100 -0.136 0.000 0.983 81 R CB -0.754 29.453 30.300 -0.154 0.000 0.874 81 R HN 0.602 nan 8.270 nan 0.000 0.451 82 K N 1.320 121.621 120.400 -0.165 0.000 3.192 82 K HA 0.095 4.415 4.320 -0.000 0.000 0.269 82 K C 0.490 177.041 176.600 -0.081 0.000 1.270 82 K CA 0.127 56.317 56.287 -0.161 0.000 1.249 82 K CB 0.361 32.738 32.500 -0.205 0.000 1.528 82 K HN 0.325 nan 8.250 nan 0.000 0.360 83 Q N -1.701 118.039 119.800 -0.099 0.000 1.466 83 Q HA 0.046 4.386 4.340 -0.000 0.000 0.156 83 Q C 1.424 177.419 176.000 -0.009 0.000 0.637 83 Q CA 0.758 56.486 55.803 -0.126 0.000 0.669 83 Q CB -0.128 28.275 28.738 -0.557 0.000 1.155 83 Q HN 0.244 nan 8.270 nan 0.000 0.356 84 S N 0.860 116.546 115.700 -0.023 0.000 2.348 84 S HA 0.013 4.483 4.470 -0.000 0.000 0.219 84 S C 1.794 176.491 174.600 0.162 0.000 1.033 84 S CA 1.510 59.727 58.200 0.027 0.000 0.974 84 S CB -0.570 62.614 63.200 -0.028 0.000 0.868 84 S HN 0.497 nan 8.310 nan 0.000 0.459 85 E N 1.838 122.110 120.200 0.119 0.000 2.006 85 E HA 0.126 4.476 4.350 -0.000 0.000 0.192 85 E C -1.315 175.435 176.600 0.249 0.000 0.993 85 E CA 1.267 57.771 56.400 0.173 0.000 0.808 85 E CB -2.032 27.715 29.700 0.077 0.000 0.764 85 E HN 0.580 nan 8.360 nan 0.000 0.449 86 P HA 0.509 nan 4.420 nan 0.000 0.280 86 P C -0.195 177.218 177.300 0.188 0.000 1.272 86 P CA 0.235 63.422 63.100 0.146 0.000 0.819 86 P CB 0.761 32.548 31.700 0.145 0.000 1.122 87 F N -4.366 115.868 119.950 0.473 0.000 3.247 87 F HA 0.227 4.754 4.527 -0.000 0.000 0.420 87 F C -0.496 175.579 175.800 0.460 0.000 1.008 87 F CA -0.684 57.485 58.000 0.282 0.000 0.631 87 F CB -1.789 37.221 39.000 0.017 0.000 1.816 87 F HN -0.112 nan 8.300 nan 0.000 0.449 88 F N 5.427 125.349 119.950 -0.047 0.000 2.473 88 F HA 0.252 4.778 4.527 -0.000 0.000 0.405 88 F C 1.140 177.140 175.800 0.332 0.000 0.988 88 F CA 0.535 58.596 58.000 0.102 0.000 1.096 88 F CB 0.003 38.894 39.000 -0.182 0.000 0.944 88 F HN 0.089 nan 8.300 nan 0.000 0.530 89 K N 0.543 121.267 120.400 0.541 0.000 3.241 89 K HA -0.141 4.179 4.320 -0.000 0.000 0.270 89 K C -0.268 176.713 176.600 0.635 0.000 1.118 89 K CA 0.704 57.281 56.287 0.482 0.000 0.792 89 K CB -1.494 31.273 32.500 0.445 0.000 1.283 89 K HN 0.692 nan 8.250 nan 0.000 0.480 90 A N 0.694 123.868 122.820 0.590 0.000 2.316 90 A HA 0.622 4.942 4.320 -0.000 0.000 0.284 90 A C 0.452 178.223 177.584 0.312 0.000 1.115 90 A CA 0.337 52.679 52.037 0.508 0.000 0.812 90 A CB 1.133 20.327 19.000 0.323 0.000 1.064 90 A HN 0.349 nan 8.150 nan 0.000 0.489 91 T N 2.034 116.748 114.554 0.267 0.000 2.824 91 T HA 0.543 4.893 4.350 -0.000 0.000 0.282 91 T C -1.897 172.878 174.700 0.125 0.000 0.993 91 T CA -1.643 60.561 62.100 0.174 0.000 0.967 91 T CB 1.180 70.148 68.868 0.166 0.000 0.960 91 T HN 0.322 nan 8.240 nan 0.000 0.441 92 P HA -0.217 nan 4.420 nan 0.000 0.210 92 P C 1.466 178.802 177.300 0.060 0.000 1.151 92 P CA 1.419 64.556 63.100 0.062 0.000 0.949 92 P CB 0.111 31.840 31.700 0.048 0.000 0.786 93 E N -0.541 119.694 120.200 0.058 0.000 2.396 93 E HA -0.184 4.166 4.350 -0.000 0.000 0.200 93 E C 1.666 178.305 176.600 0.064 0.000 1.023 93 E CA 1.751 58.183 56.400 0.053 0.000 0.857 93 E CB -1.172 28.555 29.700 0.045 0.000 0.775 93 E HN 0.442 nan 8.360 nan 0.000 0.525 94 E N 1.713 121.964 120.200 0.085 0.000 2.435 94 E HA 0.020 4.370 4.350 -0.000 0.000 0.195 94 E C 2.168 178.821 176.600 0.089 0.000 1.029 94 E CA 1.375 57.835 56.400 0.100 0.000 0.865 94 E CB -0.962 28.827 29.700 0.149 0.000 0.833 94 E HN 0.553 nan 8.360 nan 0.000 0.510 95 K N 0.464 120.908 120.400 0.073 0.000 2.184 95 K HA -0.204 4.116 4.320 -0.000 0.000 0.210 95 K C 2.261 178.908 176.600 0.078 0.000 1.048 95 K CA 1.955 58.280 56.287 0.064 0.000 0.931 95 K CB -1.358 31.170 32.500 0.047 0.000 0.718 95 K HN 0.548 nan 8.250 nan 0.000 0.465 96 L N 0.169 121.439 121.223 0.079 0.000 1.961 96 L HA -0.036 4.304 4.340 -0.000 0.000 0.210 96 L C 2.928 179.874 176.870 0.127 0.000 1.072 96 L CA 3.809 58.702 54.840 0.089 0.000 0.749 96 L CB -0.973 41.130 42.059 0.073 0.000 0.889 96 L HN 0.467 nan 8.230 nan 0.000 0.432 97 K N -0.431 120.049 120.400 0.135 0.000 2.152 97 K HA -0.174 4.146 4.320 -0.000 0.000 0.206 97 K C 2.032 178.792 176.600 0.266 0.000 1.048 97 K CA 1.863 58.272 56.287 0.204 0.000 0.933 97 K CB -1.588 31.001 32.500 0.148 0.000 0.721 97 K HN 0.471 nan 8.250 nan 0.000 0.447 98 L N 1.130 122.450 121.223 0.161 0.000 1.989 98 L HA -0.165 4.175 4.340 -0.000 0.000 0.211 98 L C 2.249 179.291 176.870 0.288 0.000 1.071 98 L CA 2.177 57.084 54.840 0.112 0.000 0.749 98 L CB -0.298 41.792 42.059 0.052 0.000 0.890 98 L HN 0.466 nan 8.230 nan 0.000 0.431 99 E N -0.452 119.900 120.200 0.254 0.000 2.110 99 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 99 E C 1.969 178.720 176.600 0.251 0.000 0.988 99 E CA 1.176 57.739 56.400 0.271 0.000 0.804 99 E CB -0.644 29.143 29.700 0.146 0.000 0.745 99 E HN 0.593 nan 8.360 nan 0.000 0.458 100 D N 0.224 120.761 120.400 0.228 0.000 2.116 100 D HA -0.188 4.452 4.640 -0.000 0.000 0.193 100 D C 1.872 178.256 176.300 0.141 0.000 0.998 100 D CA 0.723 54.856 54.000 0.222 0.000 0.836 100 D CB -0.236 40.749 40.800 0.309 0.000 0.951 100 D HN 0.131 nan 8.370 nan 0.000 0.449 101 F N 0.533 120.435 119.950 -0.079 0.000 2.069 101 F HA -0.218 4.309 4.527 -0.000 0.000 0.298 101 F C 2.106 177.644 175.800 -0.437 0.000 1.113 101 F CA 1.525 59.188 58.000 -0.562 0.000 1.214 101 F CB -0.838 37.775 39.000 -0.644 0.000 0.978 101 F HN -0.125 nan 8.300 nan 0.000 0.474 102 F N 0.636 120.510 119.950 -0.126 0.000 2.333 102 F HA -0.076 4.451 4.527 -0.000 0.000 0.300 102 F C 2.504 178.212 175.800 -0.154 0.000 1.083 102 F CA 0.937 58.827 58.000 -0.183 0.000 1.395 102 F CB -1.351 37.630 39.000 -0.030 0.000 1.056 102 F HN 0.100 nan 8.300 nan 0.000 0.529 103 A N -0.340 122.508 122.820 0.047 0.000 2.121 103 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 103 A C 2.119 179.715 177.584 0.021 0.000 1.154 103 A CA 1.166 53.232 52.037 0.048 0.000 0.679 103 A CB -0.410 18.634 19.000 0.073 0.000 0.795 103 A HN 0.198 nan 8.150 nan 0.000 0.458 104 R N 0.177 120.622 120.500 -0.093 0.000 2.210 104 R HA 0.170 4.510 4.340 -0.000 0.000 0.203 104 R C 0.457 176.741 176.300 -0.027 0.000 1.010 104 R CA 0.068 56.175 56.100 0.011 0.000 1.008 104 R CB -0.127 30.028 30.300 -0.242 0.000 0.923 104 R HN 0.504 nan 8.270 nan 0.000 0.469 105 N N 0.381 118.975 118.700 -0.175 0.000 2.467 105 N HA 0.162 4.902 4.740 -0.000 0.000 0.262 105 N C -0.442 175.114 175.510 0.076 0.000 1.234 105 N CA 0.536 53.552 53.050 -0.057 0.000 0.952 105 N CB 1.301 39.749 38.487 -0.065 0.000 1.158 105 N HN 0.145 nan 8.380 nan 0.000 0.463 106 S N 0.217 116.011 115.700 0.157 0.000 2.643 106 S HA 0.514 4.984 4.470 -0.000 0.000 0.270 106 S C -1.597 173.180 174.600 0.295 0.000 1.166 106 S CA -0.849 57.474 58.200 0.205 0.000 0.815 106 S CB 1.994 65.355 63.200 0.270 0.000 1.139 106 S HN 0.621 nan 8.310 nan 0.000 0.472 107 Y N -0.591 119.758 120.300 0.082 0.000 2.588 107 Y HA 0.763 5.313 4.550 -0.000 0.000 0.343 107 Y C -1.800 174.076 175.900 -0.040 0.000 1.065 107 Y CA -0.714 57.417 58.100 0.051 0.000 1.038 107 Y CB 1.878 40.350 38.460 0.019 0.000 1.297 107 Y HN 0.818 nan 8.280 nan 0.000 0.467 108 V N 2.968 122.391 119.914 -0.819 0.000 2.969 108 V HA 0.848 4.968 4.120 -0.000 0.000 0.304 108 V C -0.922 174.519 176.094 -1.088 0.000 1.192 108 V CA -0.469 61.433 62.300 -0.664 0.000 0.962 108 V CB 1.662 33.238 31.823 -0.412 0.000 1.045 108 V HN 0.991 nan 8.190 nan 0.000 0.428 109 A N 2.150 124.589 122.820 -0.636 0.000 2.330 109 A HA 1.087 5.407 4.320 -0.000 0.000 0.329 109 A C 0.142 177.381 177.584 -0.574 0.000 1.135 109 A CA -0.063 51.664 52.037 -0.515 0.000 0.817 109 A CB 1.890 20.819 19.000 -0.120 0.000 1.269 109 A HN 2.105 nan 8.150 nan 0.000 0.469 110 G N -0.337 108.187 108.800 -0.460 0.000 2.339 110 G HA2 0.449 4.409 3.960 -0.000 0.000 0.302 110 G HA3 0.449 4.409 3.960 -0.000 0.000 0.302 110 G C -1.896 172.895 174.900 -0.182 0.000 1.425 110 G CA -0.850 44.091 45.100 -0.265 0.000 0.899 110 G HN 0.684 nan 8.290 nan 0.000 0.619 111 Q N -0.320 119.443 119.800 -0.061 0.000 2.235 111 Q HA 0.349 4.689 4.340 -0.000 0.000 0.250 111 Q C -0.416 175.661 176.000 0.129 0.000 0.909 111 Q CA -0.503 55.243 55.803 -0.095 0.000 0.910 111 Q CB 1.135 29.879 28.738 0.011 0.000 1.223 111 Q HN 0.590 nan 8.270 nan 0.000 0.432 112 Y N 1.853 122.341 120.300 0.313 0.000 3.057 112 Y HA 0.024 4.574 4.550 -0.000 0.000 0.389 112 Y C 0.805 176.916 175.900 0.352 0.000 1.049 112 Y CA 0.086 58.428 58.100 0.404 0.000 1.876 112 Y CB -0.381 38.229 38.460 0.250 0.000 1.918 112 Y HN 0.598 nan 8.280 nan 0.000 0.446 113 D N -2.228 118.429 120.400 0.427 0.000 1.861 113 D HA -0.077 4.563 4.640 -0.000 0.000 0.637 113 D C -0.459 175.899 176.300 0.096 0.000 0.769 113 D CA 0.014 54.116 54.000 0.170 0.000 1.136 113 D CB -0.363 40.522 40.800 0.142 0.000 1.415 113 D HN 0.372 nan 8.370 nan 0.000 0.465 114 D N 1.756 122.258 120.400 0.170 0.000 2.317 114 D HA 0.391 5.030 4.640 -0.000 0.000 0.234 114 D C 1.174 177.572 176.300 0.163 0.000 1.112 114 D CA -0.149 53.925 54.000 0.123 0.000 0.840 114 D CB 2.208 43.073 40.800 0.108 0.000 1.078 114 D HN 0.091 nan 8.370 nan 0.000 0.486 115 A N 3.433 126.301 122.820 0.080 0.000 2.054 115 A HA -0.196 4.124 4.320 -0.000 0.000 0.223 115 A C 2.177 179.850 177.584 0.149 0.000 1.169 115 A CA 2.197 54.286 52.037 0.088 0.000 0.655 115 A CB -0.649 18.373 19.000 0.037 0.000 0.812 115 A HN 0.775 nan 8.150 nan 0.000 0.462 116 A N -0.551 122.344 122.820 0.125 0.000 1.865 116 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 116 A C 2.481 180.148 177.584 0.139 0.000 1.191 116 A CA 2.233 54.334 52.037 0.108 0.000 0.623 116 A CB -1.049 17.996 19.000 0.074 0.000 0.826 116 A HN 0.511 nan 8.150 nan 0.000 0.444 117 S N -1.121 114.687 115.700 0.179 0.000 2.353 117 S HA -0.186 4.284 4.470 -0.000 0.000 0.222 117 S C 1.858 176.594 174.600 0.227 0.000 1.035 117 S CA 1.755 60.053 58.200 0.165 0.000 1.025 117 S CB -0.692 62.612 63.200 0.172 0.000 0.902 117 S HN 0.620 nan 8.310 nan 0.000 0.440 118 Y N 1.793 122.203 120.300 0.183 0.000 2.256 118 Y HA -0.151 4.399 4.550 -0.000 0.000 0.288 118 Y C 2.730 178.714 175.900 0.139 0.000 1.155 118 Y CA 1.118 59.332 58.100 0.191 0.000 1.203 118 Y CB -0.607 37.927 38.460 0.124 0.000 0.980 118 Y HN 0.194 nan 8.280 nan 0.000 0.530 119 Q N 1.021 120.972 119.800 0.252 0.000 2.050 119 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 119 Q C 2.250 178.323 176.000 0.122 0.000 0.980 119 Q CA 2.187 58.083 55.803 0.155 0.000 0.840 119 Q CB -0.240 28.565 28.738 0.112 0.000 0.898 119 Q HN 0.618 nan 8.270 nan 0.000 0.424 120 R N -0.453 120.110 120.500 0.105 0.000 2.189 120 R HA -0.047 4.293 4.340 -0.000 0.000 0.218 120 R C 2.044 178.407 176.300 0.105 0.000 1.074 120 R CA 1.078 57.224 56.100 0.076 0.000 0.991 120 R CB -0.653 29.666 30.300 0.032 0.000 0.883 120 R HN 0.280 nan 8.270 nan 0.000 0.457 121 L N 2.163 123.468 121.223 0.137 0.000 1.994 121 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 121 L C 2.113 179.078 176.870 0.158 0.000 1.071 121 L CA 2.115 57.061 54.840 0.176 0.000 0.745 121 L CB -0.918 41.291 42.059 0.251 0.000 0.892 121 L HN 0.232 nan 8.230 nan 0.000 0.431 122 N N -0.537 118.254 118.700 0.152 0.000 2.061 122 N HA -0.209 4.531 4.740 -0.000 0.000 0.193 122 N C 1.801 177.356 175.510 0.074 0.000 1.030 122 N CA 1.976 55.094 53.050 0.114 0.000 0.856 122 N CB -0.443 38.111 38.487 0.113 0.000 1.023 122 N HN 0.519 nan 8.380 nan 0.000 0.424 123 S N -0.484 115.266 115.700 0.084 0.000 2.359 123 S HA -0.227 4.243 4.470 -0.000 0.000 0.223 123 S C 1.777 176.428 174.600 0.085 0.000 1.039 123 S CA 1.559 59.800 58.200 0.068 0.000 1.042 123 S CB -0.912 62.327 63.200 0.066 0.000 0.915 123 S HN 0.642 nan 8.310 nan 0.000 0.439 124 H N 1.567 120.636 119.070 -0.002 0.000 2.390 124 H HA 0.000 4.556 4.556 -0.000 0.000 0.298 124 H C 1.869 177.176 175.328 -0.034 0.000 1.106 124 H CA 1.856 57.890 56.048 -0.024 0.000 1.297 124 H CB -0.455 29.289 29.762 -0.030 0.000 1.375 124 H HN 0.373 nan 8.280 nan 0.000 0.509 125 M N -0.450 119.043 119.600 -0.179 0.000 2.132 125 M HA -0.128 4.352 4.480 -0.000 0.000 0.263 125 M C 1.953 178.167 176.300 -0.144 0.000 1.065 125 M CA 1.335 56.492 55.300 -0.239 0.000 1.122 125 M CB -0.097 32.428 32.600 -0.124 0.000 1.365 125 M HN 0.291 nan 8.290 nan 0.000 0.411 126 N N 0.631 119.292 118.700 -0.065 0.000 2.381 126 N HA -0.044 4.696 4.740 -0.000 0.000 0.182 126 N C 1.658 177.145 175.510 -0.037 0.000 1.025 126 N CA 1.263 54.288 53.050 -0.042 0.000 0.888 126 N CB -0.071 38.408 38.487 -0.014 0.000 0.965 126 N HN 0.309 nan 8.380 nan 0.000 0.438 127 A N 1.046 123.849 122.820 -0.029 0.000 1.969 127 A HA -0.031 4.289 4.320 -0.000 0.000 0.218 127 A C 1.005 178.559 177.584 -0.050 0.000 1.169 127 A CA 0.534 52.568 52.037 -0.005 0.000 0.635 127 A CB -0.323 18.721 19.000 0.072 0.000 0.810 127 A HN 0.093 nan 8.150 nan 0.000 0.445 128 L N -0.293 120.848 121.223 -0.136 0.000 2.483 128 L HA 0.030 4.370 4.340 -0.000 0.000 0.275 128 L C 1.126 177.948 176.870 -0.080 0.000 1.220 128 L CA 0.173 54.877 54.840 -0.226 0.000 0.833 128 L CB -0.262 41.553 42.059 -0.407 0.000 1.102 128 L HN 0.476 nan 8.230 nan 0.000 0.490 129 H N 4.386 123.355 119.070 -0.168 0.000 3.286 129 H HA 0.014 4.570 4.556 -0.000 0.000 0.245 129 H C 0.326 175.677 175.328 0.039 0.000 0.932 129 H CA 0.049 56.085 56.048 -0.020 0.000 1.407 129 H CB -0.084 29.712 29.762 0.058 0.000 1.540 129 H HN 0.597 nan 8.280 nan 0.000 0.516 130 L N 3.665 124.829 121.223 -0.098 0.000 4.192 130 L HA -0.235 4.105 4.340 -0.000 0.000 0.403 130 L C 1.898 178.701 176.870 -0.111 0.000 1.163 130 L CA 0.379 55.120 54.840 -0.166 0.000 0.937 130 L CB -1.473 40.385 42.059 -0.336 0.000 2.134 130 L HN 0.822 nan 8.230 nan 0.000 0.754 131 G N 0.276 109.031 108.800 -0.075 0.000 2.503 131 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.221 131 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.221 131 G C 1.427 176.275 174.900 -0.087 0.000 1.131 131 G CA 1.210 46.262 45.100 -0.081 0.000 0.756 131 G HN 0.684 nan 8.290 nan 0.000 0.572 132 S N -0.530 115.126 115.700 -0.073 0.000 2.515 132 S HA 0.029 4.499 4.470 -0.000 0.000 0.231 132 S C 1.986 176.532 174.600 -0.089 0.000 0.987 132 S CA 1.031 59.191 58.200 -0.066 0.000 0.936 132 S CB 0.053 63.226 63.200 -0.045 0.000 0.766 132 S HN 0.400 nan 8.310 nan 0.000 0.528 133 Q N 1.055 120.784 119.800 -0.118 0.000 2.349 133 Q HA 0.422 4.762 4.340 -0.000 0.000 0.209 133 Q C 1.102 176.969 176.000 -0.222 0.000 0.920 133 Q CA 0.606 56.320 55.803 -0.148 0.000 0.901 133 Q CB -0.415 28.230 28.738 -0.154 0.000 1.021 133 Q HN 0.643 nan 8.270 nan 0.000 0.519 134 A N 2.145 124.824 122.820 -0.236 0.000 2.547 134 A HA 0.041 4.361 4.320 -0.000 0.000 0.233 134 A C -0.075 177.256 177.584 -0.422 0.000 1.067 134 A CA -0.025 51.814 52.037 -0.330 0.000 0.763 134 A CB -0.243 18.622 19.000 -0.224 0.000 1.007 134 A HN 0.328 nan 8.150 nan 0.000 0.506 135 N N 0.196 118.491 118.700 -0.676 0.000 2.529 135 N HA 0.443 5.183 4.740 -0.000 0.000 0.278 135 N C -0.443 174.668 175.510 -0.665 0.000 1.146 135 N CA -0.198 52.267 53.050 -0.976 0.000 0.980 135 N CB 0.766 38.123 38.487 -1.885 0.000 1.124 135 N HN 0.612 nan 8.380 nan 0.000 0.458 136 R N 1.560 121.778 120.500 -0.470 0.000 2.494 136 R HA 0.488 4.828 4.340 -0.000 0.000 0.305 136 R C -1.166 175.052 176.300 -0.136 0.000 0.959 136 R CA -0.726 55.193 56.100 -0.303 0.000 0.864 136 R CB 1.653 31.855 30.300 -0.162 0.000 1.159 136 R HN 0.377 nan 8.270 nan 0.000 0.446 137 L N 4.042 125.098 121.223 -0.279 0.000 2.377 137 L HA 0.480 4.820 4.340 -0.000 0.000 0.270 137 L C -1.488 175.161 176.870 -0.369 0.000 0.991 137 L CA -0.672 54.102 54.840 -0.111 0.000 0.851 137 L CB 0.724 42.749 42.059 -0.057 0.000 1.218 137 L HN 0.541 nan 8.230 nan 0.000 0.420 138 F N 4.529 124.399 119.950 -0.133 0.000 2.350 138 F HA 0.264 4.791 4.527 -0.000 0.000 0.365 138 F C -0.283 175.402 175.800 -0.192 0.000 1.122 138 F CA -0.402 57.498 58.000 -0.166 0.000 1.139 138 F CB 0.513 39.449 39.000 -0.107 0.000 1.220 138 F HN 0.325 nan 8.300 nan 0.000 0.499 139 Y N 4.656 124.810 120.300 -0.242 0.000 2.367 139 Y HA 0.441 4.991 4.550 -0.000 0.000 0.342 139 Y C -0.331 175.515 175.900 -0.090 0.000 0.979 139 Y CA -1.254 56.740 58.100 -0.176 0.000 1.161 139 Y CB 0.721 38.999 38.460 -0.303 0.000 1.155 139 Y HN 0.396 nan 8.280 nan 0.000 0.503 140 L N 7.078 128.381 121.223 0.132 0.000 2.375 140 L HA 0.354 4.694 4.340 -0.000 0.000 0.276 140 L C 0.520 177.587 176.870 0.329 0.000 1.162 140 L CA -0.406 54.524 54.840 0.151 0.000 0.991 140 L CB 0.087 42.113 42.059 -0.056 0.000 1.315 140 L HN 0.794 nan 8.230 nan 0.000 0.431 141 A N 5.260 128.266 122.820 0.310 0.000 3.258 141 A HA 0.556 4.876 4.320 -0.000 0.000 0.275 141 A C -0.087 177.580 177.584 0.138 0.000 1.452 141 A CA -0.226 51.950 52.037 0.231 0.000 1.120 141 A CB -0.432 18.603 19.000 0.058 0.000 1.107 141 A HN 0.590 nan 8.150 nan 0.000 0.651 142 L N -3.590 117.725 121.223 0.154 0.000 2.403 142 L HA 0.770 5.110 4.340 -0.000 0.000 0.253 142 L C -2.923 173.934 176.870 -0.021 0.000 1.045 142 L CA -2.477 52.384 54.840 0.035 0.000 0.845 142 L CB 0.716 42.710 42.059 -0.109 0.000 1.447 142 L HN -0.094 nan 8.230 nan 0.000 0.411 143 P HA 0.144 nan 4.420 nan 0.000 0.264 143 P C -2.247 174.743 177.300 -0.516 0.000 1.193 143 P CA -0.827 62.150 63.100 -0.205 0.000 0.763 143 P CB 0.349 31.991 31.700 -0.097 0.000 0.810 144 P HA -0.228 nan 4.420 nan 0.000 0.218 144 P C 1.405 178.400 177.300 -0.508 0.000 1.147 144 P CA 1.901 64.328 63.100 -1.121 0.000 0.827 144 P CB -0.396 31.075 31.700 -0.381 0.000 0.778 145 T N -1.534 112.873 114.554 -0.245 0.000 2.652 145 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 145 T C 1.769 176.436 174.700 -0.056 0.000 1.039 145 T CA 1.666 63.712 62.100 -0.090 0.000 1.153 145 T CB -1.394 67.453 68.868 -0.034 0.000 0.863 145 T HN -0.040 nan 8.240 nan 0.000 0.428 146 V N 0.390 120.260 119.914 -0.074 0.000 2.759 146 V HA -0.151 3.969 4.120 -0.000 0.000 0.256 146 V C 2.281 178.441 176.094 0.110 0.000 1.080 146 V CA 1.024 63.330 62.300 0.009 0.000 1.101 146 V CB -1.228 30.561 31.823 -0.057 0.000 0.698 146 V HN 0.349 nan 8.190 nan 0.000 0.477 147 Y N 1.267 121.565 120.300 -0.003 0.000 2.062 147 Y HA -0.350 4.200 4.550 -0.000 0.000 0.276 147 Y C 2.662 178.590 175.900 0.048 0.000 1.189 147 Y CA 1.823 59.932 58.100 0.015 0.000 1.130 147 Y CB -1.121 37.357 38.460 0.029 0.000 0.959 147 Y HN 0.394 nan 8.280 nan 0.000 0.499 148 E N -0.355 119.952 120.200 0.179 0.000 2.086 148 E HA -0.274 4.076 4.350 -0.000 0.000 0.200 148 E C 2.301 178.932 176.600 0.052 0.000 1.012 148 E CA 1.642 58.023 56.400 -0.032 0.000 0.812 148 E CB -0.233 29.327 29.700 -0.232 0.000 0.743 148 E HN 0.398 nan 8.360 nan 0.000 0.453 149 A N 0.119 122.974 122.820 0.059 0.000 1.832 149 A HA -0.125 4.195 4.320 -0.000 0.000 0.214 149 A C 2.455 180.083 177.584 0.074 0.000 1.200 149 A CA 1.531 53.603 52.037 0.059 0.000 0.610 149 A CB -0.943 18.102 19.000 0.076 0.000 0.842 149 A HN 0.207 nan 8.150 nan 0.000 0.444 150 V N 0.301 120.294 119.914 0.133 0.000 2.250 150 V HA -0.336 3.784 4.120 -0.000 0.000 0.253 150 V C 2.745 178.899 176.094 0.100 0.000 1.065 150 V CA 2.744 65.140 62.300 0.161 0.000 1.039 150 V CB -1.638 30.272 31.823 0.146 0.000 0.647 150 V HN 0.643 nan 8.190 nan 0.000 0.446 151 T N -0.393 114.231 114.554 0.117 0.000 2.720 151 T HA -0.286 4.064 4.350 -0.000 0.000 0.268 151 T C 1.903 176.723 174.700 0.200 0.000 1.037 151 T CA 2.030 64.211 62.100 0.135 0.000 1.144 151 T CB -0.275 68.673 68.868 0.133 0.000 0.864 151 T HN 0.585 nan 8.240 nan 0.000 0.444 152 K N 1.108 121.617 120.400 0.182 0.000 1.991 152 K HA -0.189 4.131 4.320 -0.000 0.000 0.212 152 K C 2.157 178.757 176.600 -0.001 0.000 1.049 152 K CA 1.674 58.022 56.287 0.102 0.000 0.932 152 K CB -0.219 32.349 32.500 0.114 0.000 0.717 152 K HN 0.192 nan 8.250 nan 0.000 0.441 153 N N 1.250 119.864 118.700 -0.142 0.000 2.025 153 N HA -0.183 4.557 4.740 -0.000 0.000 0.194 153 N C 2.081 177.512 175.510 -0.132 0.000 1.044 153 N CA 1.765 54.616 53.050 -0.332 0.000 0.851 153 N CB -0.458 37.348 38.487 -1.135 0.000 1.036 153 N HN 0.291 nan 8.380 nan 0.000 0.422 154 I N 1.018 121.570 120.570 -0.031 0.000 2.236 154 I HA -0.316 3.854 4.170 -0.000 0.000 0.249 154 I C 2.471 178.546 176.117 -0.071 0.000 1.102 154 I CA 1.270 62.547 61.300 -0.039 0.000 1.365 154 I CB -0.451 37.424 38.000 -0.208 0.000 1.051 154 I HN 0.333 nan 8.210 nan 0.000 0.420 155 H N 1.230 120.228 119.070 -0.120 0.000 2.389 155 H HA -0.108 4.448 4.556 -0.000 0.000 0.299 155 H C 1.937 177.147 175.328 -0.196 0.000 1.081 155 H CA 1.695 57.572 56.048 -0.284 0.000 1.345 155 H CB 0.299 29.827 29.762 -0.389 0.000 1.393 155 H HN 0.463 nan 8.280 nan 0.000 0.520 156 E N 0.065 120.264 120.200 -0.003 0.000 2.011 156 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 156 E C 2.402 178.973 176.600 -0.049 0.000 0.980 156 E CA 1.446 57.835 56.400 -0.018 0.000 0.814 156 E CB 0.073 29.775 29.700 0.003 0.000 0.775 156 E HN 0.440 nan 8.360 nan 0.000 0.454 157 S N -0.545 115.150 115.700 -0.007 0.000 2.501 157 S HA 0.018 4.488 4.470 -0.000 0.000 0.220 157 S C 1.775 176.415 174.600 0.068 0.000 0.997 157 S CA 0.096 58.319 58.200 0.038 0.000 0.919 157 S CB 0.139 63.392 63.200 0.088 0.000 0.778 157 S HN 0.222 nan 8.310 nan 0.000 0.523 158 C N 1.106 120.445 119.300 0.066 0.000 3.038 158 C HA 0.518 4.978 4.460 -0.000 0.000 0.279 158 C C 0.549 175.609 174.990 0.115 0.000 1.276 158 C CA -0.778 58.320 59.018 0.134 0.000 1.697 158 C CB -1.491 26.396 27.740 0.245 0.000 2.032 158 C HN 0.490 nan 8.230 nan 0.000 0.636 159 M N 1.515 121.099 119.600 -0.025 0.000 2.239 159 M HA 0.133 4.613 4.480 -0.000 0.000 0.348 159 M C 0.583 176.883 176.300 0.000 0.000 1.239 159 M CA 0.599 55.872 55.300 -0.044 0.000 1.114 159 M CB 0.505 32.973 32.600 -0.219 0.000 1.641 159 M HN 0.155 nan 8.290 nan 0.000 0.453 160 S N 2.488 118.206 115.700 0.031 0.000 2.523 160 S HA 0.144 4.614 4.470 -0.000 0.000 0.275 160 S C 0.970 175.550 174.600 -0.033 0.000 1.281 160 S CA -0.619 57.576 58.200 -0.008 0.000 1.050 160 S CB 0.593 63.771 63.200 -0.037 0.000 0.937 160 S HN 0.731 nan 8.310 nan 0.000 0.492 161 Q N 2.320 122.097 119.800 -0.039 0.000 2.224 161 Q HA 0.094 4.434 4.340 -0.000 0.000 0.203 161 Q C 0.073 176.052 176.000 -0.034 0.000 0.970 161 Q CA 1.054 56.834 55.803 -0.039 0.000 0.865 161 Q CB 0.075 28.793 28.738 -0.034 0.000 0.922 161 Q HN 0.559 nan 8.270 nan 0.000 0.445 162 I N -0.557 119.986 120.570 -0.045 0.000 2.608 162 I HA 0.472 4.642 4.170 -0.000 0.000 0.295 162 I C 0.457 176.526 176.117 -0.081 0.000 1.049 162 I CA 0.009 61.282 61.300 -0.044 0.000 1.063 162 I CB 1.379 39.352 38.000 -0.046 0.000 1.248 162 I HN 0.244 nan 8.210 nan 0.000 0.424 163 G N 5.668 114.433 108.800 -0.058 0.000 2.746 163 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.685 163 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.685 163 G C -0.650 174.218 174.900 -0.054 0.000 1.350 163 G CA -0.501 44.515 45.100 -0.140 0.000 0.837 163 G HN 0.759 nan 8.290 nan 0.000 0.564 164 W N 0.026 121.330 121.300 0.006 0.000 2.129 164 W HA 0.655 5.315 4.660 -0.000 0.000 0.349 164 W C -0.218 176.316 176.519 0.025 0.000 1.279 164 W CA -0.651 56.704 57.345 0.016 0.000 1.306 164 W CB 0.419 29.890 29.460 0.018 0.000 1.140 164 W HN 0.566 nan 8.180 nan 0.000 0.613 165 N N 1.432 120.428 118.700 0.493 0.000 2.461 165 N HA 0.390 5.130 4.740 -0.000 0.000 0.284 165 N C -1.296 174.465 175.510 0.418 0.000 1.049 165 N CA -0.767 52.548 53.050 0.442 0.000 0.889 165 N CB 2.011 40.688 38.487 0.316 0.000 1.365 165 N HN 0.207 nan 8.380 nan 0.000 0.499 166 R N 1.770 122.497 120.500 0.377 0.000 2.561 166 R HA 0.541 4.881 4.340 -0.000 0.000 0.297 166 R C -1.135 175.174 176.300 0.015 0.000 0.969 166 R CA -0.735 55.387 56.100 0.037 0.000 0.879 166 R CB 2.397 32.453 30.300 -0.407 0.000 1.178 166 R HN 0.449 nan 8.270 nan 0.000 0.445 167 I N 4.015 124.512 120.570 -0.122 0.000 2.441 167 I HA 0.441 4.611 4.170 -0.000 0.000 0.295 167 I C -0.912 175.063 176.117 -0.236 0.000 0.994 167 I CA -0.934 60.250 61.300 -0.193 0.000 1.144 167 I CB 1.239 38.957 38.000 -0.470 0.000 1.314 167 I HN 0.583 nan 8.210 nan 0.000 0.445 168 I N 7.927 128.333 120.570 -0.273 0.000 2.330 168 I HA 0.270 4.440 4.170 -0.000 0.000 0.289 168 I C -0.618 175.275 176.117 -0.373 0.000 1.001 168 I CA -0.808 60.293 61.300 -0.330 0.000 1.193 168 I CB 1.598 39.235 38.000 -0.605 0.000 1.345 168 I HN 0.211 nan 8.210 nan 0.000 0.461 169 V N 6.046 125.809 119.914 -0.253 0.000 2.348 169 V HA 0.125 4.245 4.120 -0.000 0.000 0.270 169 V C 1.014 177.052 176.094 -0.093 0.000 1.037 169 V CA -0.372 61.760 62.300 -0.279 0.000 0.872 169 V CB 1.164 32.813 31.823 -0.290 0.000 1.002 169 V HN 0.748 nan 8.190 nan 0.000 0.464 170 E N 4.489 124.706 120.200 0.029 0.000 2.031 170 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 170 E C 0.504 177.223 176.600 0.197 0.000 0.994 170 E CA 1.621 58.142 56.400 0.201 0.000 0.800 170 E CB 0.176 30.081 29.700 0.342 0.000 0.752 170 E HN 0.697 nan 8.360 nan 0.000 0.447 171 K N -0.194 120.367 120.400 0.268 0.000 2.483 171 K HA 0.248 4.568 4.320 -0.000 0.000 0.256 171 K C -2.230 174.489 176.600 0.197 0.000 0.961 171 K CA -1.657 54.765 56.287 0.225 0.000 0.873 171 K CB 2.132 34.784 32.500 0.254 0.000 1.107 171 K HN -0.028 nan 8.250 nan 0.000 0.432 172 P HA -0.001 nan 4.420 nan 0.000 0.217 172 P C -0.329 176.941 177.300 -0.050 0.000 1.153 172 P CA 0.472 63.487 63.100 -0.142 0.000 0.843 172 P CB 0.253 31.670 31.700 -0.472 0.000 0.794 173 F N 0.338 120.347 119.950 0.099 0.000 2.456 173 F HA 0.455 4.982 4.527 -0.000 0.000 0.358 173 F C 1.583 177.522 175.800 0.231 0.000 1.095 173 F CA -0.276 57.784 58.000 0.100 0.000 1.216 173 F CB -0.178 38.753 39.000 -0.115 0.000 1.125 173 F HN -0.103 nan 8.300 nan 0.000 0.549 174 G N 2.732 111.851 108.800 0.532 0.000 3.008 174 G HA2 0.302 4.262 3.960 -0.000 0.000 0.181 174 G HA3 0.302 4.262 3.960 -0.000 0.000 0.181 174 G C 0.751 175.865 174.900 0.358 0.000 1.309 174 G CA -0.580 44.765 45.100 0.408 0.000 1.009 174 G HN 0.524 nan 8.290 nan 0.000 0.584 175 R N -0.781 119.808 120.500 0.148 0.000 2.062 175 R HA 0.068 4.408 4.340 -0.000 0.000 0.226 175 R C -0.039 176.256 176.300 -0.009 0.000 1.125 175 R CA 0.962 57.002 56.100 -0.100 0.000 0.966 175 R CB -0.039 30.163 30.300 -0.165 0.000 0.861 175 R HN 0.509 nan 8.270 nan 0.000 0.433 176 D N -0.670 119.733 120.400 0.005 0.000 2.449 176 D HA 0.040 4.680 4.640 -0.000 0.000 0.250 176 D C 0.640 176.740 176.300 -0.332 0.000 1.050 176 D CA -0.423 53.508 54.000 -0.115 0.000 1.024 176 D CB 1.602 42.320 40.800 -0.135 0.000 1.218 176 D HN -0.046 nan 8.370 nan 0.000 0.566 177 L N 0.461 121.273 121.223 -0.685 0.000 2.162 177 L HA -0.047 4.293 4.340 -0.000 0.000 0.205 177 L C 2.020 178.535 176.870 -0.591 0.000 1.086 177 L CA 1.495 55.610 54.840 -1.208 0.000 0.778 177 L CB -0.443 40.960 42.059 -1.093 0.000 0.928 177 L HN 0.333 nan 8.230 nan 0.000 0.446 178 Q N -0.052 119.537 119.800 -0.350 0.000 2.030 178 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 178 Q C 2.200 178.116 176.000 -0.140 0.000 0.986 178 Q CA 2.466 58.144 55.803 -0.210 0.000 0.843 178 Q CB -0.111 28.536 28.738 -0.151 0.000 0.904 178 Q HN 0.787 nan 8.270 nan 0.000 0.420 179 S N -0.117 115.518 115.700 -0.108 0.000 2.343 179 S HA -0.103 4.367 4.470 -0.000 0.000 0.219 179 S C 2.274 176.889 174.600 0.025 0.000 1.033 179 S CA 1.387 59.568 58.200 -0.032 0.000 1.014 179 S CB -0.677 62.517 63.200 -0.011 0.000 0.915 179 S HN 0.225 nan 8.310 nan 0.000 0.435 180 S N 1.990 117.731 115.700 0.068 0.000 2.380 180 S HA -0.206 4.264 4.470 -0.000 0.000 0.229 180 S C 1.697 176.393 174.600 0.161 0.000 1.043 180 S CA 1.843 60.175 58.200 0.219 0.000 1.038 180 S CB -0.797 62.716 63.200 0.522 0.000 0.872 180 S HN 0.651 nan 8.310 nan 0.000 0.456 181 D N 0.360 120.782 120.400 0.038 0.000 2.078 181 D HA -0.118 4.522 4.640 -0.000 0.000 0.193 181 D C 2.172 178.496 176.300 0.040 0.000 0.990 181 D CA 1.351 55.366 54.000 0.026 0.000 0.827 181 D CB -0.145 40.608 40.800 -0.078 0.000 0.975 181 D HN 0.295 nan 8.370 nan 0.000 0.451 182 R N 0.161 120.669 120.500 0.013 0.000 2.113 182 R HA -0.168 4.172 4.340 -0.000 0.000 0.244 182 R C 2.400 178.746 176.300 0.076 0.000 1.142 182 R CA 1.328 57.444 56.100 0.027 0.000 0.953 182 R CB -0.626 29.674 30.300 0.000 0.000 0.860 182 R HN 0.300 nan 8.270 nan 0.000 0.438 183 L N -0.023 121.255 121.223 0.091 0.000 1.994 183 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 183 L C 2.514 179.481 176.870 0.162 0.000 1.071 183 L CA 1.957 56.883 54.840 0.143 0.000 0.745 183 L CB -0.547 41.607 42.059 0.158 0.000 0.892 183 L HN 0.394 nan 8.230 nan 0.000 0.431 184 S N -0.050 115.726 115.700 0.127 0.000 2.402 184 S HA -0.214 4.256 4.470 -0.000 0.000 0.233 184 S C 1.633 176.273 174.600 0.067 0.000 1.030 184 S CA 1.804 60.057 58.200 0.089 0.000 1.003 184 S CB -0.320 62.938 63.200 0.096 0.000 0.813 184 S HN 0.530 nan 8.310 nan 0.000 0.477 185 N N -0.165 118.581 118.700 0.078 0.000 2.333 185 N HA -0.064 4.676 4.740 -0.000 0.000 0.178 185 N C 1.580 177.128 175.510 0.062 0.000 1.018 185 N CA 1.171 54.254 53.050 0.055 0.000 0.882 185 N CB -0.589 37.925 38.487 0.046 0.000 0.984 185 N HN 0.717 nan 8.380 nan 0.000 0.434 186 H N 1.756 120.835 119.070 0.014 0.000 2.352 186 H HA 0.046 4.602 4.556 -0.000 0.000 0.299 186 H C 2.035 177.375 175.328 0.021 0.000 1.097 186 H CA 1.517 57.571 56.048 0.009 0.000 1.311 186 H CB -0.301 29.471 29.762 0.017 0.000 1.377 186 H HN 0.091 nan 8.280 nan 0.000 0.504 187 I N -0.099 120.389 120.570 -0.137 0.000 2.252 187 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 187 I C 2.173 178.263 176.117 -0.045 0.000 1.102 187 I CA 1.370 62.577 61.300 -0.156 0.000 1.385 187 I CB -0.347 37.602 38.000 -0.086 0.000 1.064 187 I HN 0.247 nan 8.210 nan 0.000 0.414 188 S N 0.517 116.201 115.700 -0.026 0.000 2.500 188 S HA -0.104 4.366 4.470 -0.000 0.000 0.239 188 S C 1.969 176.557 174.600 -0.019 0.000 0.989 188 S CA 1.341 59.541 58.200 0.000 0.000 0.951 188 S CB -0.296 62.905 63.200 0.002 0.000 0.759 188 S HN 0.606 nan 8.310 nan 0.000 0.523 189 S N 0.666 116.323 115.700 -0.072 0.000 2.503 189 S HA 0.263 4.733 4.470 -0.000 0.000 0.217 189 S C 1.488 175.979 174.600 -0.181 0.000 0.999 189 S CA -0.058 58.081 58.200 -0.102 0.000 0.914 189 S CB -0.223 62.920 63.200 -0.096 0.000 0.782 189 S HN 0.411 nan 8.310 nan 0.000 0.520 190 L N -1.095 119.996 121.223 -0.219 0.000 2.269 190 L HA 0.443 4.783 4.340 -0.000 0.000 0.200 190 L C -0.020 176.677 176.870 -0.288 0.000 1.069 190 L CA 0.403 54.962 54.840 -0.468 0.000 0.804 190 L CB -0.154 41.587 42.059 -0.530 0.000 0.987 190 L HN 0.212 nan 8.230 nan 0.000 0.468 191 F N 0.365 120.266 119.950 -0.080 0.000 2.470 191 F HA 0.456 4.983 4.527 -0.000 0.000 0.329 191 F C 0.549 176.332 175.800 -0.027 0.000 1.072 191 F CA -1.105 56.891 58.000 -0.007 0.000 0.989 191 F CB 0.940 39.926 39.000 -0.024 0.000 1.193 191 F HN -0.071 nan 8.300 nan 0.000 0.481 192 R N 0.314 120.919 120.500 0.175 0.000 2.536 192 R HA 0.415 4.755 4.340 -0.000 0.000 0.279 192 R C 0.527 176.873 176.300 0.077 0.000 1.001 192 R CA -0.620 55.532 56.100 0.087 0.000 1.027 192 R CB 0.985 31.316 30.300 0.051 0.000 1.096 192 R HN 0.630 nan 8.270 nan 0.000 0.502 193 E N 1.313 121.529 120.200 0.026 0.000 2.164 193 E HA -0.269 4.081 4.350 -0.000 0.000 0.206 193 E C 0.716 177.294 176.600 -0.035 0.000 1.032 193 E CA 2.397 58.789 56.400 -0.015 0.000 0.832 193 E CB -0.145 29.535 29.700 -0.034 0.000 0.742 193 E HN 0.805 nan 8.360 nan 0.000 0.460 194 D N -0.905 119.489 120.400 -0.011 0.000 2.332 194 D HA -0.117 4.523 4.640 -0.000 0.000 0.244 194 D C 0.697 177.050 176.300 0.089 0.000 1.136 194 D CA 0.356 54.347 54.000 -0.014 0.000 0.884 194 D CB 0.046 40.837 40.800 -0.015 0.000 0.906 194 D HN 0.413 nan 8.370 nan 0.000 0.520 195 Q N -0.134 119.742 119.800 0.128 0.000 2.179 195 Q HA 0.282 4.622 4.340 -0.000 0.000 0.244 195 Q C 0.388 176.487 176.000 0.166 0.000 0.808 195 Q CA -0.083 55.833 55.803 0.188 0.000 0.955 195 Q CB 1.518 30.413 28.738 0.261 0.000 1.141 195 Q HN 0.280 nan 8.270 nan 0.000 0.485 196 I N 1.520 122.144 120.570 0.089 0.000 2.304 196 I HA 0.185 4.355 4.170 -0.000 0.000 0.291 196 I C -1.060 175.064 176.117 0.012 0.000 1.018 196 I CA -0.626 60.670 61.300 -0.006 0.000 1.260 196 I CB 0.437 38.383 38.000 -0.089 0.000 1.390 196 I HN -0.022 nan 8.210 nan 0.000 0.475 197 Y N 5.864 126.008 120.300 -0.260 0.000 2.842 197 Y HA 0.392 4.942 4.550 -0.000 0.000 0.334 197 Y C 0.224 176.154 175.900 0.050 0.000 1.019 197 Y CA -0.914 57.014 58.100 -0.287 0.000 1.258 197 Y CB 0.488 38.584 38.460 -0.606 0.000 1.106 197 Y HN 0.415 nan 8.280 nan 0.000 0.545 198 R N 2.880 123.486 120.500 0.177 0.000 2.347 198 R HA 0.323 4.663 4.340 -0.000 0.000 0.304 198 R C -0.287 176.117 176.300 0.175 0.000 1.072 198 R CA -0.419 55.744 56.100 0.106 0.000 0.980 198 R CB 0.948 31.227 30.300 -0.033 0.000 0.986 198 R HN 0.402 nan 8.270 nan 0.000 0.448 199 I N 2.073 122.685 120.570 0.069 0.000 2.612 199 I HA 0.097 4.267 4.170 -0.000 0.000 0.295 199 I C 0.285 176.383 176.117 -0.033 0.000 1.011 199 I CA 0.265 61.556 61.300 -0.015 0.000 1.326 199 I CB 1.148 39.187 38.000 0.064 0.000 1.427 199 I HN 0.655 nan 8.210 nan 0.000 0.537 200 D N 3.904 124.263 120.400 -0.069 0.000 2.668 200 D HA -0.012 4.628 4.640 -0.000 0.000 0.234 200 D C 1.203 177.495 176.300 -0.014 0.000 1.349 200 D CA -0.282 53.748 54.000 0.051 0.000 0.889 200 D CB 0.371 41.185 40.800 0.023 0.000 1.520 200 D HN 0.654 nan 8.370 nan 0.000 0.521 201 H N 1.335 120.351 119.070 -0.090 0.000 2.496 201 H HA -0.212 4.344 4.556 -0.000 0.000 0.296 201 H C 0.379 175.599 175.328 -0.181 0.000 1.107 201 H CA 1.116 57.011 56.048 -0.254 0.000 1.263 201 H CB -0.139 29.422 29.762 -0.334 0.000 1.369 201 H HN 0.379 nan 8.280 nan 0.000 0.541 202 Y N 1.045 120.958 120.300 -0.645 0.000 2.352 202 Y HA -0.002 4.548 4.550 -0.000 0.000 0.292 202 Y C 2.748 178.448 175.900 -0.334 0.000 1.136 202 Y CA 0.639 58.407 58.100 -0.553 0.000 1.227 202 Y CB -0.175 37.953 38.460 -0.552 0.000 0.991 202 Y HN 0.155 nan 8.280 nan 0.000 0.545 203 L N -1.429 119.682 121.223 -0.186 0.000 2.549 203 L HA -0.082 4.258 4.340 -0.000 0.000 0.229 203 L C 2.094 178.701 176.870 -0.438 0.000 1.158 203 L CA 1.053 55.741 54.840 -0.253 0.000 0.842 203 L CB -0.473 41.462 42.059 -0.207 0.000 0.952 203 L HN 0.239 nan 8.230 nan 0.000 0.452 204 G N -0.757 107.815 108.800 -0.381 0.000 3.159 204 G HA2 0.056 4.016 3.960 -0.000 0.000 0.232 204 G HA3 0.056 4.016 3.960 -0.000 0.000 0.232 204 G C 0.427 175.161 174.900 -0.277 0.000 1.116 204 G CA -0.355 44.533 45.100 -0.353 0.000 0.767 204 G HN 0.147 nan 8.290 nan 0.000 0.547 205 K N 1.046 121.258 120.400 -0.314 0.000 2.276 205 K HA 0.202 4.522 4.320 -0.000 0.000 0.283 205 K C 0.809 177.282 176.600 -0.211 0.000 1.044 205 K CA -0.364 55.754 56.287 -0.282 0.000 0.944 205 K CB 2.107 34.356 32.500 -0.419 0.000 1.012 205 K HN 0.027 nan 8.250 nan 0.000 0.472 206 E N 2.811 122.919 120.200 -0.155 0.000 2.110 206 E HA -0.300 4.050 4.350 -0.000 0.000 0.225 206 E C 1.525 178.059 176.600 -0.110 0.000 1.063 206 E CA 2.204 58.543 56.400 -0.102 0.000 0.906 206 E CB -0.117 29.542 29.700 -0.069 0.000 0.795 206 E HN 0.593 nan 8.360 nan 0.000 0.479 207 M N -0.702 118.799 119.600 -0.164 0.000 2.202 207 M HA -0.103 4.377 4.480 -0.000 0.000 0.262 207 M C 2.051 178.288 176.300 -0.105 0.000 1.063 207 M CA 0.984 56.190 55.300 -0.157 0.000 1.097 207 M CB -0.205 32.277 32.600 -0.197 0.000 1.382 207 M HN 0.153 nan 8.290 nan 0.000 0.413 208 V N -0.718 119.124 119.914 -0.120 0.000 2.358 208 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 208 V C 2.173 178.220 176.094 -0.078 0.000 1.047 208 V CA 1.709 63.953 62.300 -0.093 0.000 1.035 208 V CB -0.782 30.970 31.823 -0.118 0.000 0.658 208 V HN 0.503 nan 8.190 nan 0.000 0.452 209 Q N -0.152 119.586 119.800 -0.104 0.000 2.079 209 Q HA -0.177 4.163 4.340 -0.000 0.000 0.200 209 Q C 2.367 178.372 176.000 0.009 0.000 0.974 209 Q CA 1.367 57.137 55.803 -0.055 0.000 0.840 209 Q CB -0.334 28.363 28.738 -0.069 0.000 0.898 209 Q HN 0.599 nan 8.270 nan 0.000 0.430 210 N N 0.905 119.606 118.700 0.002 0.000 2.192 210 N HA -0.185 4.555 4.740 -0.000 0.000 0.188 210 N C 1.722 177.242 175.510 0.017 0.000 1.013 210 N CA 0.883 53.953 53.050 0.033 0.000 0.863 210 N CB -0.069 38.447 38.487 0.049 0.000 0.990 210 N HN 0.249 nan 8.380 nan 0.000 0.430 211 L N 0.547 121.764 121.223 -0.010 0.000 2.010 211 L HA -0.266 4.074 4.340 -0.000 0.000 0.219 211 L C 2.725 179.544 176.870 -0.083 0.000 1.077 211 L CA 1.757 56.572 54.840 -0.041 0.000 0.773 211 L CB -0.464 41.583 42.059 -0.019 0.000 0.892 211 L HN 0.282 nan 8.230 nan 0.000 0.436 212 M N -0.739 118.864 119.600 0.006 0.000 2.149 212 M HA -0.199 4.281 4.480 -0.000 0.000 0.261 212 M C 2.067 178.419 176.300 0.088 0.000 1.064 212 M CA 1.629 56.987 55.300 0.095 0.000 1.102 212 M CB 0.031 32.751 32.600 0.200 0.000 1.369 212 M HN 0.043 nan 8.290 nan 0.000 0.408 213 V N 0.478 120.431 119.914 0.064 0.000 2.323 213 V HA -0.252 3.868 4.120 -0.000 0.000 0.244 213 V C 2.305 178.418 176.094 0.031 0.000 1.041 213 V CA 1.560 63.905 62.300 0.074 0.000 1.025 213 V CB -0.690 31.180 31.823 0.079 0.000 0.656 213 V HN 0.521 nan 8.190 nan 0.000 0.451 214 L N -0.465 120.758 121.223 -0.001 0.000 2.043 214 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 214 L C 2.839 179.655 176.870 -0.090 0.000 1.075 214 L CA 1.882 56.735 54.840 0.022 0.000 0.752 214 L CB -0.542 41.500 42.059 -0.029 0.000 0.891 214 L HN 0.276 nan 8.230 nan 0.000 0.432 215 R N -0.844 119.399 120.500 -0.430 0.000 2.057 215 R HA -0.065 4.275 4.340 -0.000 0.000 0.229 215 R C 1.985 177.898 176.300 -0.646 0.000 1.136 215 R CA 1.255 56.840 56.100 -0.859 0.000 0.952 215 R CB -0.266 29.102 30.300 -1.554 0.000 0.848 215 R HN 0.202 nan 8.270 nan 0.000 0.430 216 F N -0.428 119.456 119.950 -0.111 0.000 2.765 216 F HA 0.267 4.794 4.527 -0.000 0.000 0.302 216 F C 1.611 177.402 175.800 -0.015 0.000 1.111 216 F CA -0.007 57.958 58.000 -0.057 0.000 1.359 216 F CB 0.263 39.231 39.000 -0.053 0.000 1.097 216 F HN 0.023 nan 8.300 nan 0.000 0.577 217 A N -1.067 121.827 122.820 0.123 0.000 2.431 217 A HA 0.278 4.598 4.320 -0.000 0.000 0.239 217 A C 0.475 178.099 177.584 0.067 0.000 1.230 217 A CA -0.146 51.949 52.037 0.096 0.000 0.928 217 A CB -0.110 18.942 19.000 0.087 0.000 1.006 217 A HN 0.068 nan 8.150 nan 0.000 0.520 218 N N -0.596 118.142 118.700 0.063 0.000 2.269 218 N HA 0.348 5.088 4.740 -0.000 0.000 0.304 218 N C 0.334 175.852 175.510 0.014 0.000 1.072 218 N CA -0.437 52.630 53.050 0.029 0.000 0.802 218 N CB 1.862 40.378 38.487 0.049 0.000 1.348 218 N HN 0.265 nan 8.380 nan 0.000 0.484 219 R N 1.234 121.715 120.500 -0.031 0.000 2.156 219 R HA 0.191 4.531 4.340 -0.000 0.000 0.207 219 R C 1.888 178.153 176.300 -0.059 0.000 1.040 219 R CA 0.490 56.578 56.100 -0.020 0.000 1.013 219 R CB -0.031 30.256 30.300 -0.021 0.000 0.931 219 R HN 0.711 nan 8.270 nan 0.000 0.465 220 I N -1.829 118.626 120.570 -0.192 0.000 2.850 220 I HA -0.076 4.094 4.170 -0.000 0.000 0.266 220 I C 0.323 176.280 176.117 -0.267 0.000 1.257 220 I CA 1.155 62.266 61.300 -0.314 0.000 1.465 220 I CB -0.067 37.611 38.000 -0.538 0.000 1.091 220 I HN 0.007 nan 8.210 nan 0.000 0.467 221 F N 1.281 121.285 119.950 0.090 0.000 2.728 221 F HA 0.459 4.986 4.527 0.000 0.000 0.314 221 F C 2.289 178.200 175.800 0.186 0.000 1.094 221 F CA -0.284 57.831 58.000 0.192 0.000 1.217 221 F CB -0.448 38.661 39.000 0.182 0.000 1.056 221 F HN -0.011 nan 8.300 nan 0.000 0.577 222 G N 2.671 111.610 108.800 0.230 0.000 2.637 222 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.215 222 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.215 222 G C -0.435 174.579 174.900 0.191 0.000 1.289 222 G CA 0.815 46.011 45.100 0.159 0.000 0.816 222 G HN 0.167 nan 8.290 nan 0.000 0.580 223 P HA -0.014 nan 4.420 nan 0.000 0.229 223 P C 1.323 178.698 177.300 0.126 0.000 1.150 223 P CA 0.912 64.076 63.100 0.106 0.000 0.765 223 P CB -0.060 31.677 31.700 0.062 0.000 0.783 224 I N -3.102 117.591 120.570 0.206 0.000 3.265 224 I HA 0.072 4.242 4.170 -0.000 0.000 0.282 224 I C 1.485 177.771 176.117 0.283 0.000 1.207 224 I CA 0.014 61.436 61.300 0.204 0.000 1.449 224 I CB -0.371 37.729 38.000 0.165 0.000 1.121 224 I HN -0.059 nan 8.210 nan 0.000 0.442 225 W N 7.195 128.558 121.300 0.106 0.000 1.282 225 W HA 0.074 4.734 4.660 -0.000 0.000 0.527 225 W C -0.046 176.329 176.519 -0.241 0.000 0.616 225 W CA 0.767 58.132 57.345 0.033 0.000 2.357 225 W CB -0.475 29.017 29.460 0.054 0.000 1.453 225 W HN 0.409 nan 8.180 nan 0.000 0.188 226 N N 0.419 119.003 118.700 -0.194 0.000 3.043 226 N HA 0.046 4.786 4.740 -0.000 0.000 0.243 226 N C 0.807 176.188 175.510 -0.214 0.000 1.347 226 N CA -0.730 52.087 53.050 -0.387 0.000 0.896 226 N CB 0.308 38.675 38.487 -0.201 0.000 1.501 226 N HN 0.237 nan 8.380 nan 0.000 0.504 227 R N -0.269 120.112 120.500 -0.198 0.000 2.226 227 R HA -0.164 4.176 4.340 -0.000 0.000 0.246 227 R C -0.030 176.313 176.300 0.072 0.000 1.161 227 R CA 1.747 57.841 56.100 -0.010 0.000 0.997 227 R CB -0.552 29.751 30.300 0.006 0.000 0.870 227 R HN 0.447 nan 8.270 nan 0.000 0.465 228 D N 0.265 120.684 120.400 0.033 0.000 2.224 228 D HA -0.048 4.592 4.640 -0.000 0.000 0.205 228 D C 1.065 177.457 176.300 0.154 0.000 0.965 228 D CA 0.869 54.899 54.000 0.051 0.000 0.852 228 D CB -0.015 40.792 40.800 0.013 0.000 0.947 228 D HN 0.462 nan 8.370 nan 0.000 0.494 229 N N -0.238 118.581 118.700 0.198 0.000 2.516 229 N HA 0.103 4.843 4.740 -0.000 0.000 0.197 229 N C 0.647 176.351 175.510 0.323 0.000 1.064 229 N CA -0.034 53.193 53.050 0.295 0.000 0.866 229 N CB 1.583 40.199 38.487 0.215 0.000 1.255 229 N HN 0.124 nan 8.380 nan 0.000 0.447 230 I N 1.487 122.125 120.570 0.112 0.000 2.441 230 I HA 0.138 4.308 4.170 -0.000 0.000 0.287 230 I C 1.208 177.060 176.117 -0.442 0.000 1.049 230 I CA -0.294 60.886 61.300 -0.198 0.000 1.381 230 I CB 1.602 39.461 38.000 -0.235 0.000 1.409 230 I HN 0.031 nan 8.210 nan 0.000 0.523 231 A N 5.820 128.236 122.820 -0.673 0.000 1.997 231 A HA 0.183 4.503 4.320 -0.000 0.000 0.212 231 A C 0.684 178.082 177.584 -0.310 0.000 1.178 231 A CA 0.734 52.366 52.037 -0.675 0.000 0.698 231 A CB -0.067 18.577 19.000 -0.595 0.000 0.842 231 A HN 0.898 nan 8.150 nan 0.000 0.458 232 C N -3.938 115.165 119.300 -0.329 0.000 3.253 232 C HA 0.632 5.092 4.460 -0.000 0.000 0.342 232 C C -1.311 173.410 174.990 -0.449 0.000 1.306 232 C CA -0.940 57.883 59.018 -0.325 0.000 1.207 232 C CB 0.745 28.384 27.740 -0.168 0.000 1.479 232 C HN 0.304 nan 8.230 nan 0.000 0.469 233 V N 1.753 121.327 119.914 -0.567 0.000 2.588 233 V HA 0.656 4.776 4.120 -0.000 0.000 0.304 233 V C -0.415 175.445 176.094 -0.389 0.000 1.042 233 V CA -0.305 61.658 62.300 -0.562 0.000 0.877 233 V CB 1.735 33.047 31.823 -0.853 0.000 0.996 233 V HN 0.812 nan 8.190 nan 0.000 0.425 234 I N 5.559 125.934 120.570 -0.324 0.000 2.418 234 I HA 0.466 4.636 4.170 -0.000 0.000 0.287 234 I C -0.836 175.164 176.117 -0.196 0.000 1.008 234 I CA -0.424 60.707 61.300 -0.281 0.000 1.104 234 I CB 1.748 39.512 38.000 -0.393 0.000 1.264 234 I HN 0.320 nan 8.210 nan 0.000 0.438 235 L N 6.262 127.402 121.223 -0.138 0.000 2.295 235 L HA 0.501 4.841 4.340 -0.000 0.000 0.281 235 L C -0.274 176.539 176.870 -0.095 0.000 1.018 235 L CA -0.345 54.440 54.840 -0.092 0.000 0.841 235 L CB 1.238 43.264 42.059 -0.056 0.000 1.218 235 L HN 0.556 nan 8.230 nan 0.000 0.424 236 T N 2.107 116.612 114.554 -0.082 0.000 2.902 236 T HA 0.569 4.919 4.350 -0.000 0.000 0.283 236 T C -0.887 173.828 174.700 0.024 0.000 1.009 236 T CA -0.332 61.728 62.100 -0.066 0.000 1.051 236 T CB 1.924 70.731 68.868 -0.102 0.000 0.999 236 T HN 0.309 nan 8.240 nan 0.000 0.474 237 F N 2.380 122.238 119.950 -0.152 0.000 2.831 237 F HA 0.471 4.998 4.527 -0.000 0.000 0.346 237 F C -1.009 174.702 175.800 -0.148 0.000 1.224 237 F CA -0.731 57.184 58.000 -0.141 0.000 1.048 237 F CB 0.939 39.833 39.000 -0.176 0.000 1.339 237 F HN 0.363 nan 8.300 nan 0.000 0.514 238 K N 4.983 125.121 120.400 -0.437 0.000 2.324 238 K HA 0.499 4.819 4.320 -0.000 0.000 0.253 238 K C -1.175 175.149 176.600 -0.459 0.000 0.932 238 K CA -0.881 55.208 56.287 -0.330 0.000 0.799 238 K CB 2.615 34.993 32.500 -0.204 0.000 1.154 238 K HN 0.520 nan 8.250 nan 0.000 0.425 239 E N 3.440 123.381 120.200 -0.431 0.000 2.199 239 E HA 0.145 4.495 4.350 -0.000 0.000 0.265 239 E C -1.937 174.315 176.600 -0.579 0.000 0.882 239 E CA -2.021 54.007 56.400 -0.620 0.000 0.759 239 E CB 2.017 31.165 29.700 -0.920 0.000 1.148 239 E HN 0.316 nan 8.360 nan 0.000 0.412 240 P HA -0.105 nan 4.420 nan 0.000 0.222 240 P C 0.221 177.410 177.300 -0.184 0.000 1.153 240 P CA 0.828 63.811 63.100 -0.195 0.000 0.798 240 P CB -0.015 31.688 31.700 0.006 0.000 0.796 241 F N -0.301 119.586 119.950 -0.105 0.000 2.377 241 F HA 0.764 5.291 4.527 -0.000 0.000 0.328 241 F C 0.901 176.548 175.800 -0.255 0.000 1.094 241 F CA -1.268 56.690 58.000 -0.069 0.000 1.093 241 F CB -0.120 38.889 39.000 0.014 0.000 1.214 241 F HN -0.168 nan 8.300 nan 0.000 0.518 242 G N -0.262 108.512 108.800 -0.043 0.000 2.509 242 G HA2 0.342 4.302 3.960 -0.000 0.000 0.269 242 G HA3 0.342 4.302 3.960 -0.000 0.000 0.269 242 G C -0.683 174.265 174.900 0.080 0.000 1.416 242 G CA -0.553 44.355 45.100 -0.320 0.000 1.052 242 G HN 0.862 nan 8.290 nan 0.000 0.542 243 T N 1.136 115.769 114.554 0.131 0.000 2.978 243 T HA 0.154 4.504 4.350 -0.000 0.000 0.278 243 T C 0.106 174.962 174.700 0.260 0.000 0.945 243 T CA -0.329 61.888 62.100 0.196 0.000 1.070 243 T CB -0.466 68.561 68.868 0.265 0.000 0.948 243 T HN 0.272 nan 8.240 nan 0.000 0.617 244 E N 3.905 124.241 120.200 0.228 0.000 2.070 244 E HA 0.079 4.429 4.350 -0.000 0.000 0.249 244 E C 1.637 178.327 176.600 0.149 0.000 1.247 244 E CA 0.899 57.401 56.400 0.170 0.000 1.009 244 E CB -0.670 29.079 29.700 0.081 0.000 1.093 244 E HN 1.041 nan 8.360 nan 0.000 0.443 245 G N 4.375 113.272 108.800 0.162 0.000 2.746 245 G HA2 -0.448 3.512 3.960 -0.000 0.000 0.236 245 G HA3 -0.448 3.512 3.960 -0.000 0.000 0.236 245 G C 0.817 175.803 174.900 0.144 0.000 1.172 245 G CA 0.560 45.739 45.100 0.132 0.000 0.736 245 G HN 0.553 nan 8.290 nan 0.000 0.519 246 R N 1.898 122.499 120.500 0.167 0.000 3.385 246 R HA 0.391 4.731 4.340 -0.000 0.000 0.236 246 R C 2.087 178.555 176.300 0.281 0.000 1.663 246 R CA 0.530 56.751 56.100 0.201 0.000 1.444 246 R CB -0.411 30.008 30.300 0.198 0.000 1.218 246 R HN 0.417 nan 8.270 nan 0.000 0.575 247 G N 1.193 110.148 108.800 0.258 0.000 2.450 247 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.220 247 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.220 247 G C 1.427 176.522 174.900 0.324 0.000 1.130 247 G CA 0.714 46.014 45.100 0.334 0.000 0.760 247 G HN 0.505 nan 8.290 nan 0.000 0.557 248 G N -0.075 108.862 108.800 0.230 0.000 2.442 248 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.219 248 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.219 248 G C 1.615 176.691 174.900 0.293 0.000 1.141 248 G CA 1.227 46.452 45.100 0.208 0.000 0.763 248 G HN 0.454 nan 8.290 nan 0.000 0.554 249 Y N 0.557 120.989 120.300 0.219 0.000 2.184 249 Y HA 0.026 4.576 4.550 -0.000 0.000 0.290 249 Y C 2.292 178.393 175.900 0.335 0.000 1.129 249 Y CA 1.117 59.362 58.100 0.243 0.000 1.144 249 Y CB -0.708 37.872 38.460 0.201 0.000 0.995 249 Y HN 0.168 nan 8.280 nan 0.000 0.513 250 F N 1.440 121.441 119.950 0.085 0.000 2.126 250 F HA -0.211 4.315 4.527 -0.000 0.000 0.299 250 F C 2.124 178.008 175.800 0.139 0.000 1.096 250 F CA 2.248 60.261 58.000 0.023 0.000 1.255 250 F CB -0.895 38.200 39.000 0.159 0.000 0.997 250 F HN 0.205 nan 8.300 nan 0.000 0.479 251 D N 0.112 120.608 120.400 0.159 0.000 2.239 251 D HA -0.236 4.404 4.640 -0.000 0.000 0.202 251 D C 1.940 178.185 176.300 -0.092 0.000 0.993 251 D CA 1.652 55.694 54.000 0.070 0.000 0.874 251 D CB -0.216 40.703 40.800 0.197 0.000 0.922 251 D HN 0.559 nan 8.370 nan 0.000 0.464 252 E N -1.788 118.366 120.200 -0.076 0.000 2.274 252 E HA -0.084 4.266 4.350 -0.000 0.000 0.194 252 E C 1.152 177.488 176.600 -0.439 0.000 0.996 252 E CA 0.460 56.741 56.400 -0.199 0.000 0.840 252 E CB 0.099 29.692 29.700 -0.178 0.000 0.772 252 E HN 0.429 nan 8.360 nan 0.000 0.491 253 F N -0.296 119.407 119.950 -0.412 0.000 2.480 253 F HA 0.284 4.811 4.527 -0.000 0.000 0.280 253 F C 1.257 176.774 175.800 -0.472 0.000 1.002 253 F CA 0.749 58.507 58.000 -0.403 0.000 1.325 253 F CB 0.004 38.759 39.000 -0.408 0.000 1.134 253 F HN -0.051 nan 8.300 nan 0.000 0.646 254 G N 0.850 109.277 108.800 -0.622 0.000 2.705 254 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.686 254 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.686 254 G C 0.354 175.063 174.900 -0.319 0.000 1.285 254 G CA -0.278 44.488 45.100 -0.556 0.000 0.800 254 G HN 0.251 nan 8.290 nan 0.000 0.611 255 I N 1.379 121.948 120.570 -0.002 0.000 2.315 255 I HA -0.172 3.998 4.170 -0.000 0.000 0.251 255 I C 2.644 178.681 176.117 -0.133 0.000 1.125 255 I CA 1.704 63.066 61.300 0.104 0.000 1.392 255 I CB -0.222 37.845 38.000 0.113 0.000 1.065 255 I HN 0.591 nan 8.210 nan 0.000 0.424 256 I N 0.234 120.683 120.570 -0.201 0.000 2.090 256 I HA -0.293 3.877 4.170 -0.000 0.000 0.236 256 I C 2.583 178.426 176.117 -0.457 0.000 1.064 256 I CA 1.618 62.712 61.300 -0.344 0.000 1.324 256 I CB -1.458 36.351 38.000 -0.317 0.000 1.044 256 I HN 0.254 nan 8.210 nan 0.000 0.399 257 R N 0.415 120.699 120.500 -0.360 0.000 2.120 257 R HA -0.208 4.132 4.340 -0.000 0.000 0.234 257 R C 1.939 178.052 176.300 -0.312 0.000 1.123 257 R CA 1.668 57.551 56.100 -0.361 0.000 0.975 257 R CB -0.339 29.885 30.300 -0.126 0.000 0.866 257 R HN 0.404 nan 8.270 nan 0.000 0.446 258 D N -0.569 119.697 120.400 -0.223 0.000 2.123 258 D HA -0.078 4.562 4.640 -0.000 0.000 0.200 258 D C 1.432 177.518 176.300 -0.356 0.000 0.976 258 D CA 1.015 54.894 54.000 -0.203 0.000 0.831 258 D CB 0.453 41.270 40.800 0.028 0.000 0.974 258 D HN -0.025 nan 8.370 nan 0.000 0.469 259 V N -0.568 119.081 119.914 -0.443 0.000 3.103 259 V HA 0.123 4.243 4.120 -0.000 0.000 0.229 259 V C 2.044 177.749 176.094 -0.647 0.000 1.304 259 V CA 0.410 62.320 62.300 -0.649 0.000 1.298 259 V CB -0.116 31.244 31.823 -0.772 0.000 1.093 259 V HN 0.130 nan 8.190 nan 0.000 0.489 260 M N 0.302 119.575 119.600 -0.546 0.000 2.059 260 M HA -0.258 4.222 4.480 -0.000 0.000 0.259 260 M C 2.321 178.260 176.300 -0.602 0.000 1.072 260 M CA 2.310 57.308 55.300 -0.505 0.000 1.117 260 M CB -0.277 32.050 32.600 -0.455 0.000 1.320 260 M HN 0.375 nan 8.290 nan 0.000 0.408 261 Q N 0.266 119.529 119.800 -0.894 0.000 2.268 261 Q HA -0.244 4.096 4.340 -0.000 0.000 0.210 261 Q C 1.039 176.613 176.000 -0.710 0.000 0.988 261 Q CA 2.280 57.446 55.803 -1.061 0.000 0.883 261 Q CB -0.191 27.797 28.738 -1.249 0.000 0.911 261 Q HN 0.882 nan 8.270 nan 0.000 0.430 262 N N -2.490 115.840 118.700 -0.617 0.000 2.652 262 N HA -0.052 4.688 4.740 -0.000 0.000 0.226 262 N C 1.626 176.952 175.510 -0.306 0.000 1.023 262 N CA 0.061 52.887 53.050 -0.374 0.000 1.126 262 N CB -0.527 37.785 38.487 -0.292 0.000 1.476 262 N HN 0.054 nan 8.380 nan 0.000 0.537 263 H N 0.880 119.752 119.070 -0.331 0.000 2.253 263 H HA -0.028 4.528 4.556 -0.000 0.000 0.296 263 H C 2.235 177.387 175.328 -0.294 0.000 1.067 263 H CA 1.048 56.861 56.048 -0.393 0.000 1.245 263 H CB -0.730 28.568 29.762 -0.773 0.000 1.364 263 H HN 0.113 nan 8.280 nan 0.000 0.494 264 L N 0.274 121.375 121.223 -0.204 0.000 1.997 264 L HA -0.192 4.148 4.340 -0.000 0.000 0.216 264 L C 2.745 179.549 176.870 -0.110 0.000 1.074 264 L CA 1.135 55.886 54.840 -0.149 0.000 0.763 264 L CB -1.124 40.827 42.059 -0.180 0.000 0.890 264 L HN 0.156 nan 8.230 nan 0.000 0.434 265 L N -1.000 120.151 121.223 -0.121 0.000 2.043 265 L HA -0.265 4.075 4.340 -0.000 0.000 0.212 265 L C 2.606 179.431 176.870 -0.074 0.000 1.075 265 L CA 1.776 56.568 54.840 -0.081 0.000 0.752 265 L CB -0.723 41.308 42.059 -0.047 0.000 0.891 265 L HN 0.378 nan 8.230 nan 0.000 0.432 266 Q N -1.080 118.688 119.800 -0.053 0.000 2.061 266 Q HA -0.220 4.120 4.340 -0.000 0.000 0.204 266 Q C 2.238 178.222 176.000 -0.025 0.000 0.984 266 Q CA 2.149 57.937 55.803 -0.025 0.000 0.846 266 Q CB -0.395 28.343 28.738 0.001 0.000 0.902 266 Q HN 0.597 nan 8.270 nan 0.000 0.421 267 M N 0.163 119.748 119.600 -0.025 0.000 2.149 267 M HA -0.166 4.314 4.480 -0.000 0.000 0.261 267 M C 2.345 178.628 176.300 -0.028 0.000 1.064 267 M CA 1.076 56.369 55.300 -0.011 0.000 1.102 267 M CB -0.472 32.126 32.600 -0.003 0.000 1.369 267 M HN 0.181 nan 8.290 nan 0.000 0.408 268 L N -0.032 121.145 121.223 -0.077 0.000 2.017 268 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 268 L C 2.498 179.255 176.870 -0.187 0.000 1.073 268 L CA 1.555 56.294 54.840 -0.169 0.000 0.745 268 L CB -0.266 41.629 42.059 -0.273 0.000 0.894 268 L HN 0.355 nan 8.230 nan 0.000 0.432 269 C N -0.002 119.224 119.300 -0.123 0.000 2.413 269 C HA -0.214 4.246 4.460 -0.000 0.000 0.278 269 C C 2.648 177.640 174.990 0.004 0.000 1.224 269 C CA 1.172 60.148 59.018 -0.071 0.000 1.732 269 C CB -1.103 26.618 27.740 -0.032 0.000 2.050 269 C HN 0.573 nan 8.230 nan 0.000 0.463 270 L N 0.353 121.592 121.223 0.026 0.000 2.127 270 L HA -0.136 4.204 4.340 -0.000 0.000 0.211 270 L C 2.364 179.296 176.870 0.105 0.000 1.089 270 L CA 1.155 56.038 54.840 0.072 0.000 0.757 270 L CB -0.529 41.560 42.059 0.051 0.000 0.899 270 L HN 0.244 nan 8.230 nan 0.000 0.434 271 V N -0.807 119.173 119.914 0.109 0.000 2.719 271 V HA -0.060 4.060 4.120 -0.000 0.000 0.252 271 V C 2.246 178.580 176.094 0.401 0.000 1.065 271 V CA 1.527 63.980 62.300 0.256 0.000 1.086 271 V CB -0.239 31.707 31.823 0.206 0.000 0.700 271 V HN 0.456 nan 8.190 nan 0.000 0.467 272 A N -0.021 122.895 122.820 0.160 0.000 2.288 272 A HA 0.363 4.683 4.320 -0.000 0.000 0.216 272 A C 1.264 179.126 177.584 0.463 0.000 1.199 272 A CA -0.091 52.083 52.037 0.229 0.000 0.891 272 A CB -0.157 18.535 19.000 -0.512 0.000 0.923 272 A HN 0.566 nan 8.150 nan 0.000 0.500 273 M N -0.232 119.542 119.600 0.291 0.000 2.250 273 M HA 0.384 4.864 4.480 -0.000 0.000 0.325 273 M C -0.061 176.460 176.300 0.369 0.000 1.084 273 M CA 0.159 55.622 55.300 0.272 0.000 1.161 273 M CB 0.095 32.809 32.600 0.191 0.000 1.481 273 M HN 0.045 nan 8.290 nan 0.000 0.449 274 E N 1.839 122.191 120.200 0.254 0.000 2.342 274 E HA 0.244 4.594 4.350 -0.000 0.000 0.257 274 E C -0.937 175.705 176.600 0.071 0.000 1.150 274 E CA -0.297 56.230 56.400 0.212 0.000 0.926 274 E CB 0.893 30.665 29.700 0.119 0.000 1.074 274 E HN 0.618 nan 8.360 nan 0.000 0.449 275 K N 2.725 123.089 120.400 -0.061 0.000 2.416 275 K HA 0.109 4.429 4.320 -0.000 0.000 0.283 275 K C -2.076 174.300 176.600 -0.375 0.000 1.037 275 K CA -1.274 54.645 56.287 -0.614 0.000 0.995 275 K CB 0.301 32.550 32.500 -0.418 0.000 0.938 275 K HN 0.313 nan 8.250 nan 0.000 0.475 276 P HA 0.045 nan 4.420 nan 0.000 0.276 276 P C -0.279 176.913 177.300 -0.179 0.000 1.252 276 P CA -0.227 62.738 63.100 -0.225 0.000 0.802 276 P CB 1.223 32.803 31.700 -0.201 0.000 1.035 277 A N 1.248 124.001 122.820 -0.111 0.000 2.019 277 A HA 0.025 4.345 4.320 -0.000 0.000 0.219 277 A C 1.071 178.606 177.584 -0.082 0.000 1.164 277 A CA 1.850 53.837 52.037 -0.084 0.000 0.644 277 A CB -0.789 18.176 19.000 -0.057 0.000 0.805 277 A HN 0.818 nan 8.150 nan 0.000 0.449 278 S N -4.202 111.444 115.700 -0.090 0.000 2.669 278 S HA 0.299 4.769 4.470 -0.000 0.000 0.266 278 S C 0.187 174.741 174.600 -0.076 0.000 1.149 278 S CA 0.261 58.416 58.200 -0.075 0.000 0.842 278 S CB 0.253 63.422 63.200 -0.052 0.000 1.160 278 S HN 0.522 nan 8.310 nan 0.000 0.487 279 T N -0.534 113.987 114.554 -0.055 0.000 3.219 279 T HA 0.269 4.618 4.350 -0.000 0.000 0.249 279 T C 0.125 174.797 174.700 -0.046 0.000 1.099 279 T CA -0.272 61.801 62.100 -0.045 0.000 0.988 279 T CB -1.001 67.852 68.868 -0.024 0.000 0.999 279 T HN 0.479 nan 8.240 nan 0.000 0.550 280 N N 2.465 121.135 118.700 -0.049 0.000 2.483 280 N HA 0.193 4.933 4.740 -0.000 0.000 0.264 280 N C 1.225 176.701 175.510 -0.056 0.000 1.197 280 N CA -0.048 52.971 53.050 -0.050 0.000 0.927 280 N CB 1.043 39.503 38.487 -0.046 0.000 1.065 280 N HN 0.119 nan 8.380 nan 0.000 0.461 281 S N 1.711 117.370 115.700 -0.068 0.000 2.407 281 S HA -0.234 4.236 4.470 -0.000 0.000 0.244 281 S C 1.046 175.609 174.600 -0.061 0.000 1.077 281 S CA 1.549 59.704 58.200 -0.075 0.000 1.159 281 S CB -0.155 62.984 63.200 -0.102 0.000 1.045 281 S HN 0.626 nan 8.310 nan 0.000 0.438 282 D N 0.744 121.108 120.400 -0.060 0.000 2.144 282 D HA -0.052 4.587 4.640 -0.000 0.000 0.200 282 D C 1.556 177.832 176.300 -0.041 0.000 0.978 282 D CA 0.911 54.881 54.000 -0.050 0.000 0.833 282 D CB -0.499 40.272 40.800 -0.049 0.000 0.961 282 D HN 0.288 nan 8.370 nan 0.000 0.470 283 D N 0.121 120.494 120.400 -0.044 0.000 2.178 283 D HA -0.095 4.545 4.640 -0.000 0.000 0.201 283 D C 2.220 178.492 176.300 -0.048 0.000 0.980 283 D CA 0.319 54.291 54.000 -0.046 0.000 0.842 283 D CB 0.003 40.772 40.800 -0.053 0.000 0.948 283 D HN 0.083 nan 8.370 nan 0.000 0.472 284 V N 0.514 120.402 119.914 -0.043 0.000 2.273 284 V HA -0.162 3.958 4.120 -0.000 0.000 0.242 284 V C 2.367 178.455 176.094 -0.011 0.000 1.035 284 V CA 1.363 63.645 62.300 -0.030 0.000 1.013 284 V CB -0.343 31.470 31.823 -0.016 0.000 0.652 284 V HN 0.053 nan 8.190 nan 0.000 0.452 285 R N 0.278 120.771 120.500 -0.011 0.000 2.139 285 R HA -0.191 4.149 4.340 -0.000 0.000 0.243 285 R C 2.007 178.304 176.300 -0.005 0.000 1.145 285 R CA 1.801 57.898 56.100 -0.005 0.000 0.976 285 R CB -0.485 29.806 30.300 -0.015 0.000 0.866 285 R HN 0.541 nan 8.270 nan 0.000 0.449 286 D N 0.406 120.798 120.400 -0.012 0.000 2.097 286 D HA -0.149 4.491 4.640 -0.000 0.000 0.195 286 D C 1.806 178.106 176.300 0.001 0.000 0.989 286 D CA 1.060 55.055 54.000 -0.008 0.000 0.827 286 D CB -0.129 40.661 40.800 -0.015 0.000 0.966 286 D HN 0.132 nan 8.370 nan 0.000 0.456 287 E N 0.821 121.021 120.200 -0.001 0.000 2.153 287 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 287 E C 1.969 178.590 176.600 0.034 0.000 0.988 287 E CA 0.608 57.017 56.400 0.015 0.000 0.811 287 E CB -0.070 29.632 29.700 0.002 0.000 0.746 287 E HN 0.367 nan 8.360 nan 0.000 0.466 288 K N 0.321 120.737 120.400 0.026 0.000 1.973 288 K HA -0.078 4.242 4.320 -0.000 0.000 0.210 288 K C 2.172 178.779 176.600 0.012 0.000 1.045 288 K CA 1.209 57.510 56.287 0.024 0.000 0.937 288 K CB -0.451 32.061 32.500 0.020 0.000 0.721 288 K HN 0.011 nan 8.250 nan 0.000 0.438 289 V N 2.011 121.931 119.914 0.010 0.000 2.594 289 V HA -0.250 3.870 4.120 -0.000 0.000 0.253 289 V C 2.162 178.262 176.094 0.010 0.000 1.069 289 V CA 1.779 64.084 62.300 0.008 0.000 1.082 289 V CB -0.329 31.501 31.823 0.011 0.000 0.680 289 V HN 0.302 nan 8.190 nan 0.000 0.469 290 K N -0.484 119.927 120.400 0.017 0.000 2.063 290 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 290 K C 1.940 178.557 176.600 0.028 0.000 1.048 290 K CA 2.111 58.413 56.287 0.025 0.000 0.928 290 K CB -0.188 32.332 32.500 0.034 0.000 0.713 290 K HN 0.492 nan 8.250 nan 0.000 0.442 291 V N 1.863 121.792 119.914 0.025 0.000 2.237 291 V HA -0.278 3.842 4.120 -0.000 0.000 0.245 291 V C 2.380 178.453 176.094 -0.035 0.000 1.046 291 V CA 1.787 64.091 62.300 0.006 0.000 1.007 291 V CB -0.527 31.279 31.823 -0.029 0.000 0.638 291 V HN 0.325 nan 8.190 nan 0.000 0.445 292 L N -0.262 120.934 121.223 -0.045 0.000 2.051 292 L HA -0.279 4.061 4.340 -0.000 0.000 0.214 292 L C 2.533 179.381 176.870 -0.037 0.000 1.076 292 L CA 1.848 56.654 54.840 -0.056 0.000 0.758 292 L CB -0.792 41.249 42.059 -0.032 0.000 0.890 292 L HN 0.328 nan 8.230 nan 0.000 0.433 293 K N -0.809 119.584 120.400 -0.012 0.000 2.442 293 K HA -0.106 4.214 4.320 -0.000 0.000 0.198 293 K C 1.505 178.105 176.600 0.001 0.000 1.044 293 K CA 0.822 57.108 56.287 -0.001 0.000 0.948 293 K CB -0.200 32.306 32.500 0.010 0.000 0.762 293 K HN 0.421 nan 8.250 nan 0.000 0.472 294 C N 0.722 120.023 119.300 0.001 0.000 2.884 294 C HA 0.335 4.795 4.460 -0.000 0.000 0.287 294 C C 0.558 175.551 174.990 0.006 0.000 1.310 294 C CA -0.727 58.302 59.018 0.019 0.000 1.725 294 C CB -0.729 27.042 27.740 0.051 0.000 2.060 294 C HN 0.214 nan 8.230 nan 0.000 0.618 295 I N 2.311 122.860 120.570 -0.036 0.000 2.321 295 I HA 0.203 4.373 4.170 -0.000 0.000 0.291 295 I C 0.498 176.576 176.117 -0.066 0.000 0.998 295 I CA 0.329 61.590 61.300 -0.064 0.000 1.227 295 I CB 1.172 39.089 38.000 -0.139 0.000 1.368 295 I HN 0.220 nan 8.210 nan 0.000 0.466 296 S N 4.560 120.236 115.700 -0.041 0.000 2.603 296 S HA 0.244 4.714 4.470 -0.000 0.000 0.268 296 S C -0.068 174.468 174.600 -0.107 0.000 1.317 296 S CA -0.971 57.200 58.200 -0.047 0.000 1.012 296 S CB 0.638 63.834 63.200 -0.006 0.000 0.926 296 S HN 0.517 nan 8.310 nan 0.000 0.539 297 E N 0.669 120.810 120.200 -0.099 0.000 2.452 297 E HA 0.088 4.438 4.350 -0.000 0.000 0.261 297 E C -0.416 176.091 176.600 -0.156 0.000 0.987 297 E CA -0.253 56.067 56.400 -0.134 0.000 0.926 297 E CB 0.307 29.958 29.700 -0.082 0.000 0.934 297 E HN 0.396 nan 8.360 nan 0.000 0.452 298 V N 4.339 124.117 119.914 -0.226 0.000 2.617 298 V HA -0.125 3.995 4.120 -0.000 0.000 0.304 298 V C 0.494 176.510 176.094 -0.129 0.000 1.040 298 V CA 0.503 62.674 62.300 -0.216 0.000 1.149 298 V CB 0.409 32.075 31.823 -0.262 0.000 0.914 298 V HN 0.572 nan 8.190 nan 0.000 0.487 299 Q N 3.164 122.890 119.800 -0.122 0.000 2.243 299 Q HA 0.438 4.778 4.340 -0.000 0.000 0.252 299 Q C 1.072 177.035 176.000 -0.062 0.000 0.909 299 Q CA 0.118 55.874 55.803 -0.078 0.000 0.922 299 Q CB 1.611 30.307 28.738 -0.071 0.000 1.215 299 Q HN 0.828 nan 8.270 nan 0.000 0.427 300 A N 3.088 125.885 122.820 -0.038 0.000 2.131 300 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 300 A C 1.558 179.128 177.584 -0.024 0.000 1.158 300 A CA 1.753 53.773 52.037 -0.027 0.000 0.665 300 A CB -0.225 18.764 19.000 -0.018 0.000 0.795 300 A HN 0.747 nan 8.150 nan 0.000 0.460 301 N N 0.272 118.956 118.700 -0.026 0.000 2.457 301 N HA -0.051 4.689 4.740 -0.000 0.000 0.180 301 N C 0.302 175.796 175.510 -0.025 0.000 1.050 301 N CA 0.824 53.864 53.050 -0.018 0.000 0.906 301 N CB -0.067 38.414 38.487 -0.010 0.000 0.968 301 N HN 0.368 nan 8.380 nan 0.000 0.445 302 N N -0.050 118.620 118.700 -0.051 0.000 2.389 302 N HA 0.144 4.883 4.740 -0.000 0.000 0.260 302 N C -1.266 174.207 175.510 -0.062 0.000 1.191 302 N CA 0.028 53.038 53.050 -0.068 0.000 0.885 302 N CB 1.251 39.657 38.487 -0.135 0.000 1.162 302 N HN -0.063 nan 8.380 nan 0.000 0.512 303 V N 0.555 120.447 119.914 -0.036 0.000 2.656 303 V HA 0.494 4.614 4.120 -0.000 0.000 0.307 303 V C -0.191 175.905 176.094 0.003 0.000 1.051 303 V CA -0.811 61.474 62.300 -0.026 0.000 0.893 303 V CB 2.815 34.625 31.823 -0.022 0.000 0.999 303 V HN -0.227 nan 8.190 nan 0.000 0.426 304 V N 5.766 125.691 119.914 0.018 0.000 2.525 304 V HA 0.518 4.638 4.120 -0.000 0.000 0.299 304 V C -0.510 175.660 176.094 0.127 0.000 1.034 304 V CA -0.340 62.006 62.300 0.078 0.000 0.863 304 V CB 1.759 33.651 31.823 0.115 0.000 0.999 304 V HN 0.657 nan 8.190 nan 0.000 0.423 305 L N 4.063 125.365 121.223 0.132 0.000 2.334 305 L HA 0.989 5.329 4.340 -0.000 0.000 0.273 305 L C 0.542 177.551 176.870 0.232 0.000 1.013 305 L CA -0.389 54.553 54.840 0.171 0.000 0.816 305 L CB 2.084 44.200 42.059 0.095 0.000 1.278 305 L HN 0.739 nan 8.230 nan 0.000 0.431 306 G N 0.936 109.934 108.800 0.330 0.000 2.690 306 G HA2 0.564 4.524 3.960 -0.000 0.000 0.293 306 G HA3 0.564 4.524 3.960 -0.000 0.000 0.293 306 G C -2.106 173.048 174.900 0.424 0.000 1.399 306 G CA -0.319 44.980 45.100 0.332 0.000 0.890 306 G HN 0.469 nan 8.290 nan 0.000 0.485 307 Q N -0.030 119.973 119.800 0.340 0.000 2.305 307 Q HA 0.474 4.814 4.340 -0.000 0.000 0.271 307 Q C -1.390 174.488 176.000 -0.204 0.000 1.046 307 Q CA -0.996 54.888 55.803 0.135 0.000 0.798 307 Q CB 2.196 30.974 28.738 0.066 0.000 1.286 307 Q HN 0.753 nan 8.270 nan 0.000 0.435 308 Y N 1.475 121.392 120.300 -0.638 0.000 2.336 308 Y HA 0.594 5.144 4.550 -0.000 0.000 0.331 308 Y C -1.176 174.539 175.900 -0.309 0.000 1.211 308 Y CA -0.592 56.947 58.100 -0.934 0.000 1.346 308 Y CB 0.713 38.633 38.460 -0.899 0.000 1.271 308 Y HN 0.232 nan 8.280 nan 0.000 0.538 309 V N 3.963 123.718 119.914 -0.265 0.000 2.628 309 V HA 0.614 4.734 4.120 -0.000 0.000 0.306 309 V C 0.773 176.879 176.094 0.019 0.000 1.045 309 V CA -0.699 61.510 62.300 -0.151 0.000 0.905 309 V CB 1.532 33.303 31.823 -0.086 0.000 0.997 309 V HN 1.207 nan 8.190 nan 0.000 0.436 310 G N 1.738 110.550 108.800 0.020 0.000 2.559 310 G HA2 0.150 4.110 3.960 -0.000 0.000 0.235 310 G HA3 0.150 4.110 3.960 -0.000 0.000 0.235 310 G C -0.151 174.782 174.900 0.056 0.000 1.266 310 G CA -0.049 45.099 45.100 0.082 0.000 0.847 310 G HN 0.694 nan 8.290 nan 0.000 0.583 311 N N 1.421 120.135 118.700 0.023 0.000 2.444 311 N HA 0.323 5.063 4.740 -0.000 0.000 0.262 311 N C -0.935 174.563 175.510 -0.021 0.000 0.974 311 N CA -2.489 50.570 53.050 0.015 0.000 0.933 311 N CB 2.222 40.728 38.487 0.032 0.000 1.137 311 N HN 0.104 nan 8.380 nan 0.000 0.498 312 P HA -0.062 nan 4.420 nan 0.000 0.218 312 P C -0.224 177.069 177.300 -0.012 0.000 1.149 312 P CA 1.210 64.304 63.100 -0.011 0.000 0.817 312 P CB 0.454 32.153 31.700 -0.002 0.000 0.785 313 D N -0.486 119.911 120.400 -0.005 0.000 2.349 313 D HA 0.091 4.731 4.640 -0.000 0.000 0.224 313 D C 1.599 177.892 176.300 -0.012 0.000 1.029 313 D CA 0.386 54.384 54.000 -0.003 0.000 0.879 313 D CB -0.284 40.520 40.800 0.007 0.000 0.906 313 D HN 0.171 nan 8.370 nan 0.000 0.528 314 G N 0.464 109.245 108.800 -0.030 0.000 2.504 314 G HA2 0.421 4.381 3.960 -0.000 0.000 0.257 314 G HA3 0.421 4.381 3.960 -0.000 0.000 0.257 314 G C -0.220 174.649 174.900 -0.053 0.000 1.451 314 G CA -0.486 44.583 45.100 -0.051 0.000 1.059 314 G HN 0.246 nan 8.290 nan 0.000 0.550 315 E N -2.714 117.444 120.200 -0.070 0.000 2.390 315 E HA 0.506 4.856 4.350 -0.000 0.000 0.280 315 E C 0.249 176.812 176.600 -0.063 0.000 0.992 315 E CA -0.524 55.846 56.400 -0.050 0.000 0.790 315 E CB 1.032 30.717 29.700 -0.025 0.000 1.248 315 E HN 1.647 nan 8.360 nan 0.000 0.447 316 G N 2.386 111.160 108.800 -0.042 0.000 2.556 316 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.283 316 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.283 316 G C 0.729 175.597 174.900 -0.053 0.000 1.177 316 G CA 0.460 45.542 45.100 -0.030 0.000 0.978 316 G HN 0.635 nan 8.290 nan 0.000 0.554 317 E N 0.774 120.950 120.200 -0.039 0.000 2.204 317 E HA -0.059 4.291 4.350 -0.000 0.000 0.195 317 E C 2.882 179.327 176.600 -0.258 0.000 0.990 317 E CA 1.530 57.911 56.400 -0.030 0.000 0.821 317 E CB -0.588 29.169 29.700 0.094 0.000 0.750 317 E HN 0.915 nan 8.360 nan 0.000 0.477 318 A N 1.217 123.758 122.820 -0.464 0.000 2.178 318 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 318 A C 2.311 179.592 177.584 -0.505 0.000 1.157 318 A CA 1.946 53.441 52.037 -0.905 0.000 0.689 318 A CB -0.629 18.063 19.000 -0.513 0.000 0.787 318 A HN 0.373 nan 8.150 nan 0.000 0.465 319 T N -3.799 110.611 114.554 -0.240 0.000 3.040 319 T HA 0.352 4.702 4.350 -0.000 0.000 0.252 319 T C 0.990 175.657 174.700 -0.054 0.000 1.064 319 T CA 0.865 62.898 62.100 -0.112 0.000 1.110 319 T CB -0.420 68.408 68.868 -0.067 0.000 0.921 319 T HN 0.532 nan 8.240 nan 0.000 0.480 320 K N 1.820 122.201 120.400 -0.032 0.000 2.316 320 K HA 0.687 5.007 4.320 -0.000 0.000 0.289 320 K C 0.713 177.373 176.600 0.099 0.000 1.070 320 K CA -0.203 56.102 56.287 0.030 0.000 0.928 320 K CB -0.011 32.521 32.500 0.053 0.000 1.039 320 K HN 0.554 nan 8.250 nan 0.000 0.480 321 G N 0.052 108.849 108.800 -0.005 0.000 2.588 321 G HA2 0.306 4.266 3.960 -0.000 0.000 0.278 321 G HA3 0.306 4.266 3.960 -0.000 0.000 0.278 321 G C 0.682 175.374 174.900 -0.347 0.000 1.307 321 G CA -0.098 44.892 45.100 -0.183 0.000 1.016 321 G HN 0.730 nan 8.290 nan 0.000 0.503 322 Y N -0.151 119.576 120.300 -0.955 0.000 2.070 322 Y HA -0.105 4.445 4.550 -0.000 0.000 0.280 322 Y C 2.696 178.482 175.900 -0.190 0.000 1.148 322 Y CA 1.717 59.453 58.100 -0.606 0.000 1.125 322 Y CB -0.443 37.706 38.460 -0.517 0.000 0.975 322 Y HN 0.191 nan 8.280 nan 0.000 0.492 323 L N 0.107 121.198 121.223 -0.221 0.000 2.353 323 L HA -0.192 4.148 4.340 -0.000 0.000 0.220 323 L C 1.394 178.169 176.870 -0.158 0.000 1.133 323 L CA 1.122 55.829 54.840 -0.222 0.000 0.798 323 L CB -0.553 41.443 42.059 -0.105 0.000 0.922 323 L HN 0.212 nan 8.230 nan 0.000 0.445 324 D N -0.412 119.916 120.400 -0.121 0.000 2.378 324 D HA -0.090 4.550 4.640 -0.000 0.000 0.227 324 D C 0.697 176.966 176.300 -0.051 0.000 1.012 324 D CA 0.649 54.609 54.000 -0.066 0.000 0.905 324 D CB -0.109 40.667 40.800 -0.039 0.000 0.895 324 D HN 0.244 nan 8.370 nan 0.000 0.532 325 D N 0.617 120.966 120.400 -0.085 0.000 2.336 325 D HA 0.045 4.685 4.640 -0.000 0.000 0.249 325 D C -1.663 174.600 176.300 -0.061 0.000 1.213 325 D CA -1.921 52.050 54.000 -0.050 0.000 0.870 325 D CB 2.039 42.804 40.800 -0.060 0.000 1.076 325 D HN -0.109 nan 8.370 nan 0.000 0.483 326 P HA -0.127 nan 4.420 nan 0.000 0.216 326 P C 1.136 178.430 177.300 -0.010 0.000 1.150 326 P CA 1.321 64.412 63.100 -0.016 0.000 0.843 326 P CB 0.193 31.895 31.700 0.003 0.000 0.787 327 T N -1.611 112.948 114.554 0.008 0.000 2.929 327 T HA -0.057 4.293 4.350 -0.000 0.000 0.271 327 T C 0.955 175.663 174.700 0.014 0.000 1.085 327 T CA 0.444 62.563 62.100 0.031 0.000 1.125 327 T CB -0.613 68.298 68.868 0.073 0.000 0.874 327 T HN -0.003 nan 8.240 nan 0.000 0.494 328 V N 3.149 123.032 119.914 -0.050 0.000 2.439 328 V HA 0.345 4.465 4.120 -0.000 0.000 0.282 328 V C -2.471 173.572 176.094 -0.084 0.000 1.039 328 V CA -2.783 59.458 62.300 -0.099 0.000 0.913 328 V CB 1.165 32.792 31.823 -0.325 0.000 0.983 328 V HN 0.062 nan 8.190 nan 0.000 0.460 329 P HA 0.130 nan 4.420 nan 0.000 0.256 329 P C 0.934 178.212 177.300 -0.038 0.000 1.173 329 P CA 0.815 63.901 63.100 -0.023 0.000 0.768 329 P CB 0.354 32.053 31.700 -0.002 0.000 0.758 330 R N 3.897 124.376 120.500 -0.034 0.000 2.198 330 R HA -0.165 4.175 4.340 -0.000 0.000 0.258 330 R C 1.744 178.032 176.300 -0.021 0.000 1.173 330 R CA 2.231 58.311 56.100 -0.034 0.000 0.991 330 R CB -1.859 28.427 30.300 -0.023 0.000 0.879 330 R HN 0.649 nan 8.270 nan 0.000 0.460 331 G N -0.373 108.423 108.800 -0.008 0.000 4.098 331 G HA2 0.358 4.318 3.960 -0.000 0.000 0.300 331 G HA3 0.358 4.318 3.960 -0.000 0.000 0.300 331 G C 0.062 174.975 174.900 0.021 0.000 1.187 331 G CA 0.530 45.633 45.100 0.005 0.000 0.964 331 G HN 0.574 nan 8.290 nan 0.000 0.559 332 S N 0.023 115.743 115.700 0.033 0.000 2.576 332 S HA 0.365 4.835 4.470 -0.000 0.000 0.276 332 S C 1.483 176.148 174.600 0.107 0.000 1.339 332 S CA 0.597 58.844 58.200 0.079 0.000 1.039 332 S CB 0.789 64.065 63.200 0.126 0.000 0.902 332 S HN 0.408 nan 8.310 nan 0.000 0.516 333 T N 0.292 114.905 114.554 0.098 0.000 3.145 333 T HA 0.231 4.581 4.350 -0.000 0.000 0.281 333 T C 0.275 175.026 174.700 0.085 0.000 1.003 333 T CA -0.404 61.745 62.100 0.083 0.000 0.901 333 T CB -0.205 68.689 68.868 0.043 0.000 1.112 333 T HN 0.497 nan 8.240 nan 0.000 0.535 334 T N 3.528 118.155 114.554 0.123 0.000 2.888 334 T HA 0.525 4.875 4.350 -0.000 0.000 0.301 334 T C 0.551 175.279 174.700 0.047 0.000 1.001 334 T CA -0.153 61.989 62.100 0.070 0.000 1.147 334 T CB 0.470 69.394 68.868 0.093 0.000 0.931 334 T HN 0.594 nan 8.240 nan 0.000 0.541 335 A N 2.955 125.794 122.820 0.032 0.000 2.331 335 A HA 0.493 4.813 4.320 -0.000 0.000 0.283 335 A C 1.387 179.059 177.584 0.147 0.000 1.142 335 A CA -0.549 51.540 52.037 0.087 0.000 0.812 335 A CB 0.283 19.337 19.000 0.089 0.000 1.074 335 A HN 0.923 nan 8.150 nan 0.000 0.497 336 T N -0.870 113.807 114.554 0.206 0.000 3.069 336 T HA 0.363 4.713 4.350 -0.000 0.000 0.252 336 T C -0.171 174.700 174.700 0.285 0.000 1.053 336 T CA 0.171 62.418 62.100 0.244 0.000 0.964 336 T CB -0.370 68.591 68.868 0.155 0.000 1.005 336 T HN 0.668 nan 8.240 nan 0.000 0.532 337 F N 1.130 121.140 119.950 0.099 0.000 2.601 337 F HA 0.729 5.256 4.527 -0.000 0.000 0.309 337 F C -1.748 174.025 175.800 -0.046 0.000 1.089 337 F CA -1.156 56.822 58.000 -0.038 0.000 0.940 337 F CB 1.603 40.466 39.000 -0.229 0.000 1.273 337 F HN 0.190 nan 8.300 nan 0.000 0.450 338 A N 3.387 125.716 122.820 -0.817 0.000 2.540 338 A HA 0.863 5.183 4.320 -0.000 0.000 0.297 338 A C -2.009 175.130 177.584 -0.742 0.000 1.056 338 A CA -0.204 51.512 52.037 -0.536 0.000 0.700 338 A CB 1.099 19.948 19.000 -0.251 0.000 1.280 338 A HN 1.746 nan 8.150 nan 0.000 0.398 339 A N 1.624 124.186 122.820 -0.430 0.000 2.332 339 A HA 0.714 5.034 4.320 -0.000 0.000 0.300 339 A C -0.900 176.591 177.584 -0.156 0.000 1.153 339 A CA -0.438 51.418 52.037 -0.302 0.000 0.764 339 A CB 0.913 19.810 19.000 -0.171 0.000 1.174 339 A HN 1.463 nan 8.150 nan 0.000 0.467 340 V N 2.428 122.257 119.914 -0.142 0.000 2.769 340 V HA 0.568 4.688 4.120 -0.000 0.000 0.312 340 V C -0.337 175.689 176.094 -0.112 0.000 1.061 340 V CA -0.666 61.574 62.300 -0.100 0.000 0.931 340 V CB 2.006 33.799 31.823 -0.050 0.000 1.010 340 V HN 0.634 nan 8.190 nan 0.000 0.433 341 V N 4.958 124.786 119.914 -0.144 0.000 2.417 341 V HA 0.576 4.696 4.120 -0.000 0.000 0.291 341 V C -0.601 175.308 176.094 -0.308 0.000 1.024 341 V CA -0.435 61.751 62.300 -0.190 0.000 0.861 341 V CB 1.463 33.163 31.823 -0.206 0.000 0.985 341 V HN 0.568 nan 8.190 nan 0.000 0.436 342 L N 4.777 125.858 121.223 -0.236 0.000 2.341 342 L HA 0.696 5.036 4.340 -0.000 0.000 0.267 342 L C -1.114 175.723 176.870 -0.056 0.000 1.009 342 L CA -0.495 54.197 54.840 -0.248 0.000 0.819 342 L CB 2.017 43.972 42.059 -0.173 0.000 1.323 342 L HN 0.445 nan 8.230 nan 0.000 0.425 343 Y N 0.529 120.836 120.300 0.011 0.000 2.477 343 Y HA 0.616 5.166 4.550 -0.000 0.000 0.347 343 Y C -0.418 175.494 175.900 0.021 0.000 0.981 343 Y CA -1.478 56.671 58.100 0.082 0.000 1.033 343 Y CB 2.093 40.594 38.460 0.069 0.000 1.245 343 Y HN 0.100 nan 8.280 nan 0.000 0.455 344 V N 3.015 123.085 119.914 0.259 0.000 2.328 344 V HA 0.301 4.421 4.120 -0.000 0.000 0.278 344 V C -0.392 175.825 176.094 0.206 0.000 1.021 344 V CA -0.984 61.398 62.300 0.136 0.000 0.838 344 V CB 1.036 32.890 31.823 0.052 0.000 0.999 344 V HN 0.657 nan 8.190 nan 0.000 0.447 345 E N 5.061 125.346 120.200 0.142 0.000 1.856 345 E HA 0.294 4.644 4.350 -0.000 0.000 0.263 345 E C -0.159 176.511 176.600 0.117 0.000 1.137 345 E CA -0.176 56.298 56.400 0.123 0.000 1.007 345 E CB 0.091 29.844 29.700 0.089 0.000 1.117 345 E HN 0.852 nan 8.360 nan 0.000 0.438 346 N N -0.592 118.198 118.700 0.150 0.000 2.708 346 N HA 0.020 4.760 4.740 -0.000 0.000 0.257 346 N C 0.402 175.974 175.510 0.103 0.000 1.373 346 N CA -0.872 52.253 53.050 0.125 0.000 0.843 346 N CB 0.741 39.319 38.487 0.151 0.000 1.503 346 N HN 0.084 nan 8.380 nan 0.000 0.504 347 E N -0.195 120.042 120.200 0.062 0.000 2.253 347 E HA -0.306 4.044 4.350 -0.000 0.000 0.202 347 E C 1.351 177.945 176.600 -0.010 0.000 1.014 347 E CA 1.544 57.959 56.400 0.027 0.000 0.823 347 E CB 0.175 29.886 29.700 0.018 0.000 0.736 347 E HN 0.567 nan 8.360 nan 0.000 0.478 348 R N -1.110 119.370 120.500 -0.033 0.000 2.075 348 R HA -0.047 4.293 4.340 -0.000 0.000 0.220 348 R C 0.948 177.058 176.300 -0.317 0.000 1.118 348 R CA 1.210 57.171 56.100 -0.231 0.000 0.986 348 R CB -0.055 30.028 30.300 -0.362 0.000 0.884 348 R HN 0.203 nan 8.270 nan 0.000 0.439 349 W N 1.051 122.425 121.300 0.123 0.000 3.132 349 W HA 0.231 4.891 4.660 -0.000 0.000 0.364 349 W C -0.293 176.277 176.519 0.085 0.000 1.129 349 W CA -0.946 56.484 57.345 0.142 0.000 1.815 349 W CB 0.329 29.951 29.460 0.270 0.000 1.099 349 W HN -0.018 nan 8.180 nan 0.000 0.605 350 D N 0.692 121.214 120.400 0.203 0.000 2.570 350 D HA 0.194 4.834 4.640 -0.000 0.000 0.243 350 D C 1.400 177.723 176.300 0.038 0.000 1.171 350 D CA 2.286 56.350 54.000 0.108 0.000 0.879 350 D CB 0.437 41.274 40.800 0.062 0.000 1.143 350 D HN 0.340 nan 8.370 nan 0.000 0.511 351 G N 2.271 111.035 108.800 -0.060 0.000 2.258 351 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.233 351 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.233 351 G C 0.363 175.110 174.900 -0.256 0.000 1.006 351 G CA 0.110 45.092 45.100 -0.196 0.000 0.620 351 G HN 0.608 nan 8.290 nan 0.000 0.511 352 V N 4.148 124.025 119.914 -0.061 0.000 2.508 352 V HA 0.440 4.560 4.120 -0.000 0.000 0.281 352 V C -1.336 174.725 176.094 -0.056 0.000 1.041 352 V CA -0.852 61.423 62.300 -0.041 0.000 1.016 352 V CB 1.287 33.183 31.823 0.120 0.000 0.984 352 V HN 0.315 nan 8.190 nan 0.000 0.478 353 P HA 0.322 nan 4.420 nan 0.000 0.287 353 P C -1.103 176.154 177.300 -0.071 0.000 1.281 353 P CA -0.338 62.933 63.100 0.285 0.000 0.781 353 P CB 0.639 32.524 31.700 0.308 0.000 0.903 354 F N 3.455 123.440 119.950 0.059 0.000 2.361 354 F HA 0.381 4.908 4.527 -0.000 0.000 0.364 354 F C 0.898 176.623 175.800 -0.125 0.000 1.120 354 F CA -0.537 57.401 58.000 -0.104 0.000 1.102 354 F CB 0.780 39.687 39.000 -0.156 0.000 1.183 354 F HN 0.102 nan 8.300 nan 0.000 0.476 355 I N 5.659 126.193 120.570 -0.060 0.000 2.297 355 I HA 0.213 4.383 4.170 -0.000 0.000 0.291 355 I C -0.607 175.441 176.117 -0.114 0.000 1.033 355 I CA -0.325 60.911 61.300 -0.107 0.000 1.253 355 I CB 0.630 38.519 38.000 -0.184 0.000 1.396 355 I HN 0.338 nan 8.210 nan 0.000 0.476 356 L N 8.041 129.201 121.223 -0.104 0.000 2.262 356 L HA 0.533 4.873 4.340 -0.000 0.000 0.288 356 L C 0.075 176.834 176.870 -0.184 0.000 1.035 356 L CA -0.607 54.160 54.840 -0.122 0.000 0.820 356 L CB 0.701 42.705 42.059 -0.092 0.000 1.204 356 L HN 0.673 nan 8.230 nan 0.000 0.424 357 R N 3.276 123.653 120.500 -0.206 0.000 2.561 357 R HA 0.818 5.158 4.340 -0.000 0.000 0.297 357 R C -0.995 175.142 176.300 -0.272 0.000 0.969 357 R CA -0.576 55.346 56.100 -0.297 0.000 0.879 357 R CB 1.769 31.921 30.300 -0.246 0.000 1.178 357 R HN 0.705 nan 8.270 nan 0.000 0.445 358 C N -0.196 118.856 119.300 -0.412 0.000 3.239 358 C HA 1.021 5.481 4.460 -0.000 0.000 0.317 358 C C -0.224 174.579 174.990 -0.312 0.000 1.310 358 C CA -0.213 58.670 59.018 -0.226 0.000 1.371 358 C CB 1.238 28.881 27.740 -0.161 0.000 1.714 358 C HN 1.231 nan 8.230 nan 0.000 0.473 359 G N 1.269 110.035 108.800 -0.055 0.000 2.411 359 G HA2 0.537 4.497 3.960 -0.000 0.000 0.295 359 G HA3 0.537 4.497 3.960 -0.000 0.000 0.295 359 G C -2.128 172.747 174.900 -0.043 0.000 1.542 359 G CA -0.807 44.309 45.100 0.027 0.000 0.814 359 G HN 0.943 nan 8.290 nan 0.000 0.557 360 K N -0.184 120.153 120.400 -0.106 0.000 2.139 360 K HA 0.671 4.991 4.320 -0.000 0.000 0.243 360 K C 0.737 177.070 176.600 -0.446 0.000 0.983 360 K CA 0.158 56.230 56.287 -0.359 0.000 0.890 360 K CB 1.776 33.989 32.500 -0.480 0.000 1.090 360 K HN 1.882 nan 8.250 nan 0.000 0.445 361 A N 0.872 123.265 122.820 -0.712 0.000 2.791 361 A HA -0.176 4.144 4.320 -0.000 0.000 0.292 361 A C -0.235 177.036 177.584 -0.522 0.000 1.487 361 A CA 0.633 52.072 52.037 -0.998 0.000 0.760 361 A CB -2.284 15.712 19.000 -1.673 0.000 1.031 361 A HN 0.513 nan 8.150 nan 0.000 0.503 362 L N -0.824 120.213 121.223 -0.311 0.000 2.578 362 L HA 0.386 4.726 4.340 -0.000 0.000 0.259 362 L C 2.008 178.824 176.870 -0.090 0.000 1.082 362 L CA -0.359 54.395 54.840 -0.142 0.000 0.843 362 L CB 0.073 42.055 42.059 -0.129 0.000 1.535 362 L HN 0.594 nan 8.230 nan 0.000 0.510 363 N N -0.200 118.472 118.700 -0.047 0.000 2.494 363 N HA -0.074 4.666 4.740 -0.000 0.000 0.182 363 N C -0.086 175.413 175.510 -0.018 0.000 1.076 363 N CA 0.404 53.449 53.050 -0.009 0.000 0.908 363 N CB 0.223 38.710 38.487 -0.000 0.000 0.967 363 N HN 0.796 nan 8.380 nan 0.000 0.449 364 E N -1.106 119.059 120.200 -0.057 0.000 2.394 364 E HA 0.370 4.720 4.350 -0.000 0.000 0.266 364 E C -1.353 175.183 176.600 -0.107 0.000 1.065 364 E CA -1.112 55.255 56.400 -0.056 0.000 0.885 364 E CB 1.337 31.009 29.700 -0.046 0.000 1.659 364 E HN -0.008 nan 8.360 nan 0.000 0.462 365 R N 0.923 121.364 120.500 -0.098 0.000 2.473 365 R HA 0.409 4.749 4.340 -0.000 0.000 0.303 365 R C -1.588 174.624 176.300 -0.147 0.000 1.002 365 R CA -0.441 55.570 56.100 -0.148 0.000 0.884 365 R CB 1.027 31.282 30.300 -0.075 0.000 1.173 365 R HN 0.699 nan 8.270 nan 0.000 0.464 366 K N 1.910 122.182 120.400 -0.213 0.000 2.597 366 K HA 0.707 5.027 4.320 -0.000 0.000 0.282 366 K C -2.230 174.238 176.600 -0.221 0.000 0.975 366 K CA -0.997 55.186 56.287 -0.173 0.000 0.867 366 K CB 1.943 34.375 32.500 -0.114 0.000 1.465 366 K HN 0.413 nan 8.250 nan 0.000 0.417 367 A N 1.717 124.454 122.820 -0.137 0.000 2.402 367 A HA 0.590 4.910 4.320 -0.000 0.000 0.291 367 A C -1.433 176.127 177.584 -0.041 0.000 1.051 367 A CA -0.465 51.533 52.037 -0.064 0.000 0.716 367 A CB 1.206 20.244 19.000 0.065 0.000 1.223 367 A HN 0.877 nan 8.150 nan 0.000 0.425 368 E N 0.991 121.161 120.200 -0.049 0.000 2.412 368 E HA 0.679 5.029 4.350 -0.000 0.000 0.279 368 E C -1.818 174.730 176.600 -0.086 0.000 0.984 368 E CA -0.911 55.444 56.400 -0.075 0.000 0.788 368 E CB 1.910 31.549 29.700 -0.101 0.000 1.277 368 E HN 0.337 nan 8.360 nan 0.000 0.455 369 V N 1.377 121.229 119.914 -0.104 0.000 2.459 369 V HA 0.615 4.735 4.120 -0.000 0.000 0.295 369 V C -0.190 175.801 176.094 -0.172 0.000 1.029 369 V CA -0.671 61.561 62.300 -0.113 0.000 0.874 369 V CB 1.381 33.163 31.823 -0.069 0.000 0.985 369 V HN 0.709 nan 8.190 nan 0.000 0.438 370 R N 4.699 125.073 120.500 -0.210 0.000 2.574 370 R HA 0.709 5.049 4.340 -0.000 0.000 0.288 370 R C -2.108 173.993 176.300 -0.331 0.000 1.004 370 R CA -0.687 55.259 56.100 -0.256 0.000 0.895 370 R CB 1.669 31.839 30.300 -0.217 0.000 1.191 370 R HN 0.719 nan 8.270 nan 0.000 0.444 371 L N 3.778 124.748 121.223 -0.421 0.000 2.333 371 L HA 0.472 4.812 4.340 -0.000 0.000 0.280 371 L C -0.549 175.934 176.870 -0.644 0.000 1.004 371 L CA -0.880 53.584 54.840 -0.627 0.000 0.820 371 L CB 1.929 43.428 42.059 -0.933 0.000 1.247 371 L HN 0.638 nan 8.230 nan 0.000 0.416 372 Q N 2.734 122.215 119.800 -0.531 0.000 2.325 372 Q HA 0.490 4.830 4.340 -0.000 0.000 0.262 372 Q C -1.270 174.443 176.000 -0.479 0.000 0.968 372 Q CA -0.584 55.013 55.803 -0.343 0.000 0.877 372 Q CB 1.283 29.992 28.738 -0.049 0.000 1.253 372 Q HN 0.431 nan 8.270 nan 0.000 0.448 373 F N 1.135 120.991 119.950 -0.156 0.000 2.368 373 F HA 0.276 4.803 4.527 0.000 0.000 0.308 373 F C 1.133 176.832 175.800 -0.169 0.000 1.198 373 F CA -0.392 57.505 58.000 -0.171 0.000 1.130 373 F CB 0.474 39.421 39.000 -0.088 0.000 1.300 373 F HN 0.517 nan 8.300 nan 0.000 0.537 374 H N 0.400 119.577 119.070 0.178 0.000 2.603 374 H HA 0.095 4.651 4.556 -0.000 0.000 0.370 374 H C -0.491 174.874 175.328 0.062 0.000 1.225 374 H CA -0.305 55.790 56.048 0.078 0.000 1.410 374 H CB 0.515 30.309 29.762 0.054 0.000 1.495 374 H HN 0.456 nan 8.280 nan 0.000 0.602 375 D N 0.937 121.453 120.400 0.194 0.000 2.399 375 D HA 0.006 4.646 4.640 -0.000 0.000 0.241 375 D C 0.249 176.599 176.300 0.083 0.000 1.133 375 D CA -0.086 53.973 54.000 0.100 0.000 0.890 375 D CB 1.344 42.185 40.800 0.068 0.000 1.201 375 D HN 0.090 nan 8.370 nan 0.000 0.432 376 V N 1.323 121.272 119.914 0.059 0.000 2.740 376 V HA 0.173 4.293 4.120 -0.000 0.000 0.303 376 V C 0.779 176.894 176.094 0.035 0.000 1.054 376 V CA -0.372 61.956 62.300 0.047 0.000 1.106 376 V CB 0.954 32.808 31.823 0.052 0.000 0.957 376 V HN 0.641 nan 8.190 nan 0.000 0.486 377 A N 3.917 126.749 122.820 0.020 0.000 2.409 377 A HA 0.587 4.907 4.320 -0.000 0.000 0.262 377 A C 1.116 178.701 177.584 0.001 0.000 1.113 377 A CA 0.308 52.347 52.037 0.003 0.000 0.790 377 A CB -0.126 18.869 19.000 -0.009 0.000 1.046 377 A HN 2.242 nan 8.150 nan 0.000 0.496 378 G N 2.626 111.422 108.800 -0.007 0.000 2.385 378 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.294 378 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.294 378 G C -0.280 174.606 174.900 -0.024 0.000 1.070 378 G CA 0.383 45.471 45.100 -0.020 0.000 1.172 378 G HN 1.294 nan 8.290 nan 0.000 0.516 379 D N -0.436 119.957 120.400 -0.012 0.000 2.458 379 D HA 0.347 4.987 4.640 -0.000 0.000 0.243 379 D C 1.833 178.067 176.300 -0.110 0.000 1.146 379 D CA 0.528 54.527 54.000 -0.001 0.000 0.877 379 D CB 0.248 41.065 40.800 0.028 0.000 1.176 379 D HN 0.695 nan 8.370 nan 0.000 0.461 380 I N -0.166 120.278 120.570 -0.210 0.000 4.147 380 I HA 0.271 4.441 4.170 -0.000 0.000 0.329 380 I C -0.298 175.376 176.117 -0.739 0.000 1.424 380 I CA -0.531 60.475 61.300 -0.489 0.000 1.127 380 I CB 0.128 37.798 38.000 -0.550 0.000 1.128 380 I HN 0.177 nan 8.210 nan 0.000 0.417 381 F N 1.420 121.238 119.950 -0.221 0.000 2.708 381 F HA 0.370 4.897 4.527 -0.000 0.000 0.300 381 F C 0.113 175.862 175.800 -0.085 0.000 1.118 381 F CA -0.667 57.243 58.000 -0.149 0.000 1.307 381 F CB -0.648 38.328 39.000 -0.040 0.000 0.986 381 F HN 0.159 nan 8.300 nan 0.000 0.522 382 H N 0.883 120.019 119.070 0.109 0.000 2.702 382 H HA -0.234 4.322 4.556 -0.000 0.000 0.328 382 H C 0.928 176.302 175.328 0.078 0.000 1.111 382 H CA 0.345 56.436 56.048 0.071 0.000 1.109 382 H CB -1.289 28.506 29.762 0.054 0.000 1.606 382 H HN 0.482 nan 8.280 nan 0.000 0.399 383 Q N -0.404 119.475 119.800 0.132 0.000 2.363 383 Q HA -0.435 3.905 4.340 -0.000 0.000 0.253 383 Q C 0.347 176.393 176.000 0.077 0.000 1.031 383 Q CA 2.147 58.005 55.803 0.091 0.000 1.048 383 Q CB -1.373 27.404 28.738 0.066 0.000 1.545 383 Q HN 0.914 nan 8.270 nan 0.000 0.546 384 Q N -0.534 119.328 119.800 0.103 0.000 2.472 384 Q HA 0.088 4.428 4.340 -0.000 0.000 0.208 384 Q C 0.598 176.599 176.000 0.002 0.000 0.958 384 Q CA 0.703 56.540 55.803 0.057 0.000 0.932 384 Q CB 0.357 29.144 28.738 0.081 0.000 1.007 384 Q HN 0.573 nan 8.270 nan 0.000 0.508 385 C N 1.792 121.093 119.300 0.003 0.000 2.595 385 C HA 0.318 4.778 4.460 -0.000 0.000 0.384 385 C C 0.432 175.401 174.990 -0.035 0.000 1.289 385 C CA -0.567 58.427 59.018 -0.039 0.000 2.372 385 C CB 0.337 28.062 27.740 -0.025 0.000 2.593 385 C HN 0.209 nan 8.230 nan 0.000 0.639 386 K N 1.133 121.501 120.400 -0.054 0.000 2.435 386 K HA 0.426 4.746 4.320 -0.000 0.000 0.251 386 K C -0.646 175.926 176.600 -0.048 0.000 0.954 386 K CA -0.664 55.586 56.287 -0.061 0.000 0.820 386 K CB 1.383 33.832 32.500 -0.086 0.000 1.292 386 K HN 0.630 nan 8.250 nan 0.000 0.436 387 R N 1.301 121.776 120.500 -0.042 0.000 2.570 387 R HA 0.076 4.416 4.340 -0.000 0.000 0.277 387 R C 0.320 176.631 176.300 0.017 0.000 1.039 387 R CA 0.267 56.366 56.100 -0.001 0.000 1.065 387 R CB 0.099 30.390 30.300 -0.014 0.000 0.964 387 R HN 0.541 nan 8.270 nan 0.000 0.428 388 N N 1.675 120.430 118.700 0.092 0.000 2.444 388 N HA 0.053 4.793 4.740 -0.000 0.000 0.255 388 N C -0.614 175.050 175.510 0.257 0.000 1.255 388 N CA 0.067 53.203 53.050 0.144 0.000 0.933 388 N CB 0.705 39.271 38.487 0.131 0.000 1.143 388 N HN 0.464 nan 8.380 nan 0.000 0.453 389 E N 0.401 120.721 120.200 0.200 0.000 2.372 389 E HA 0.347 4.697 4.350 -0.000 0.000 0.279 389 E C -1.651 174.997 176.600 0.080 0.000 0.946 389 E CA -0.767 55.676 56.400 0.073 0.000 0.769 389 E CB 2.201 31.888 29.700 -0.021 0.000 1.230 389 E HN 0.185 nan 8.360 nan 0.000 0.442 390 L N 2.224 123.413 121.223 -0.058 0.000 2.333 390 L HA 0.575 4.915 4.340 -0.000 0.000 0.280 390 L C -1.664 175.044 176.870 -0.270 0.000 1.004 390 L CA -0.693 54.089 54.840 -0.097 0.000 0.820 390 L CB 1.713 43.730 42.059 -0.071 0.000 1.247 390 L HN 0.385 nan 8.230 nan 0.000 0.416 391 V N 6.627 126.287 119.914 -0.423 0.000 2.540 391 V HA 0.527 4.647 4.120 -0.000 0.000 0.302 391 V C -0.235 175.584 176.094 -0.459 0.000 1.035 391 V CA -0.362 61.615 62.300 -0.537 0.000 0.873 391 V CB 1.841 33.120 31.823 -0.908 0.000 0.992 391 V HN 0.636 nan 8.190 nan 0.000 0.428 392 I N 4.738 125.140 120.570 -0.280 0.000 2.495 392 I HA 0.450 4.620 4.170 -0.000 0.000 0.277 392 I C 0.204 176.229 176.117 -0.154 0.000 1.045 392 I CA -0.343 60.846 61.300 -0.184 0.000 1.135 392 I CB 1.192 39.122 38.000 -0.117 0.000 1.241 392 I HN 0.472 nan 8.210 nan 0.000 0.469 393 R N 5.067 125.482 120.500 -0.142 0.000 2.248 393 R HA 0.267 4.607 4.340 -0.000 0.000 0.337 393 R C 0.693 176.923 176.300 -0.116 0.000 1.085 393 R CA -0.152 55.885 56.100 -0.104 0.000 0.934 393 R CB 1.031 31.296 30.300 -0.058 0.000 1.034 393 R HN 0.545 nan 8.270 nan 0.000 0.465 394 V N 4.122 123.975 119.914 -0.101 0.000 2.427 394 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 394 V C 0.648 176.663 176.094 -0.132 0.000 1.051 394 V CA 1.587 63.816 62.300 -0.118 0.000 1.048 394 V CB -0.716 31.067 31.823 -0.068 0.000 0.666 394 V HN 0.853 nan 8.190 nan 0.000 0.456 395 Q N -1.278 118.461 119.800 -0.102 0.000 2.617 395 Q HA 0.395 4.735 4.340 -0.000 0.000 0.270 395 Q C -3.259 172.693 176.000 -0.080 0.000 0.967 395 Q CA -1.437 54.310 55.803 -0.094 0.000 0.887 395 Q CB 2.143 30.820 28.738 -0.101 0.000 1.516 395 Q HN 0.072 nan 8.270 nan 0.000 0.395 396 P HA 0.229 nan 4.420 nan 0.000 0.297 396 P C -0.875 176.401 177.300 -0.041 0.000 1.307 396 P CA -0.219 62.853 63.100 -0.047 0.000 0.773 396 P CB 0.194 31.878 31.700 -0.026 0.000 1.265 397 N N -0.828 117.858 118.700 -0.023 0.000 2.686 397 N HA -0.169 4.571 4.740 -0.000 0.000 0.261 397 N C -0.304 175.190 175.510 -0.027 0.000 1.001 397 N CA 0.611 53.659 53.050 -0.003 0.000 0.764 397 N CB -1.186 37.311 38.487 0.016 0.000 0.898 397 N HN 0.414 nan 8.380 nan 0.000 0.544 398 E N -0.616 119.534 120.200 -0.084 0.000 2.966 398 E HA 0.184 4.534 4.350 -0.000 0.000 0.254 398 E C 0.334 176.817 176.600 -0.195 0.000 0.923 398 E CA 0.864 57.143 56.400 -0.202 0.000 0.960 398 E CB 0.235 29.718 29.700 -0.362 0.000 0.901 398 E HN 0.491 nan 8.360 nan 0.000 0.525 399 A N 2.443 125.184 122.820 -0.131 0.000 2.610 399 A HA 0.638 4.958 4.320 -0.000 0.000 0.291 399 A C -1.250 176.354 177.584 0.032 0.000 1.086 399 A CA -0.411 51.639 52.037 0.021 0.000 0.677 399 A CB 2.382 21.465 19.000 0.138 0.000 1.278 399 A HN 0.689 nan 8.150 nan 0.000 0.414 400 V N 1.346 121.344 119.914 0.139 0.000 2.733 400 V HA 0.901 5.021 4.120 -0.000 0.000 0.306 400 V C -1.724 174.495 176.094 0.208 0.000 1.084 400 V CA -0.451 61.885 62.300 0.060 0.000 0.905 400 V CB 1.625 33.492 31.823 0.073 0.000 1.010 400 V HN 1.809 nan 8.190 nan 0.000 0.424 401 Y N 1.786 122.129 120.300 0.072 0.000 2.656 401 Y HA 0.879 5.429 4.550 -0.000 0.000 0.334 401 Y C -0.603 175.357 175.900 0.100 0.000 1.179 401 Y CA -0.485 57.675 58.100 0.101 0.000 1.050 401 Y CB 1.587 40.097 38.460 0.083 0.000 1.308 401 Y HN 0.728 nan 8.280 nan 0.000 0.456 402 T N -0.376 114.374 114.554 0.326 0.000 2.809 402 T HA 0.523 4.873 4.350 -0.000 0.000 0.284 402 T C -1.090 173.753 174.700 0.238 0.000 0.992 402 T CA -1.106 61.134 62.100 0.234 0.000 0.957 402 T CB 1.255 70.269 68.868 0.243 0.000 0.942 402 T HN 0.661 nan 8.240 nan 0.000 0.439 403 K N 3.628 124.132 120.400 0.175 0.000 2.312 403 K HA 0.557 4.877 4.320 -0.000 0.000 0.287 403 K C -0.135 176.476 176.600 0.020 0.000 1.062 403 K CA -0.478 55.838 56.287 0.048 0.000 0.934 403 K CB 0.584 32.998 32.500 -0.143 0.000 1.027 403 K HN 0.686 nan 8.250 nan 0.000 0.478 404 M N 0.327 119.934 119.600 0.012 0.000 2.907 404 M HA 0.569 5.049 4.480 -0.000 0.000 0.282 404 M C -0.965 175.317 176.300 -0.030 0.000 1.259 404 M CA -0.992 54.305 55.300 -0.005 0.000 0.753 404 M CB 0.618 33.226 32.600 0.013 0.000 1.744 404 M HN 0.115 nan 8.290 nan 0.000 0.434 405 M N 0.631 120.200 119.600 -0.051 0.000 2.423 405 M HA 0.737 5.217 4.480 -0.000 0.000 0.335 405 M C -0.688 175.568 176.300 -0.073 0.000 1.177 405 M CA -0.037 55.214 55.300 -0.082 0.000 1.038 405 M CB 1.251 33.763 32.600 -0.146 0.000 1.641 405 M HN 0.922 nan 8.290 nan 0.000 0.455 406 T N 1.332 115.844 114.554 -0.070 0.000 2.932 406 T HA 0.298 4.648 4.350 -0.000 0.000 0.318 406 T C -1.004 173.664 174.700 -0.053 0.000 1.265 406 T CA -0.852 61.220 62.100 -0.047 0.000 1.036 406 T CB 1.758 70.622 68.868 -0.008 0.000 1.209 406 T HN 0.739 nan 8.240 nan 0.000 0.484 407 K N 3.275 123.656 120.400 -0.032 0.000 2.472 407 K HA 0.087 4.407 4.320 -0.000 0.000 0.280 407 K C 0.177 176.790 176.600 0.021 0.000 1.028 407 K CA -0.148 56.138 56.287 -0.000 0.000 1.045 407 K CB 0.357 32.879 32.500 0.038 0.000 0.902 407 K HN 0.589 nan 8.250 nan 0.000 0.478 408 K N 6.884 127.294 120.400 0.017 0.000 2.437 408 K HA 0.025 4.345 4.320 -0.000 0.000 0.277 408 K C -2.031 174.639 176.600 0.117 0.000 1.073 408 K CA -1.183 55.094 56.287 -0.016 0.000 1.105 408 K CB 0.379 32.777 32.500 -0.169 0.000 0.881 408 K HN 0.432 nan 8.250 nan 0.000 0.475 409 P HA 0.035 nan 4.420 nan 0.000 0.265 409 P C 0.309 177.784 177.300 0.292 0.000 1.193 409 P CA 0.485 63.669 63.100 0.141 0.000 0.765 409 P CB 0.879 32.623 31.700 0.072 0.000 0.823 410 G N 3.235 112.165 108.800 0.216 0.000 2.447 410 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.220 410 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.220 410 G C -0.133 174.760 174.900 -0.012 0.000 1.261 410 G CA -0.658 44.535 45.100 0.155 0.000 1.000 410 G HN 0.418 nan 8.290 nan 0.000 0.515 411 M N 1.079 120.465 119.600 -0.356 0.000 3.709 411 M HA 0.400 4.880 4.480 -0.000 0.000 0.197 411 M C -0.779 175.070 176.300 -0.751 0.000 1.511 411 M CA 0.778 55.800 55.300 -0.464 0.000 1.688 411 M CB -1.928 30.409 32.600 -0.438 0.000 1.109 411 M HN 0.293 nan 8.290 nan 0.000 0.561 412 F N -1.746 118.212 119.950 0.014 0.000 2.588 412 F HA 0.560 5.087 4.527 -0.000 0.000 0.314 412 F C 0.883 176.700 175.800 0.028 0.000 1.069 412 F CA -0.805 57.206 58.000 0.019 0.000 0.931 412 F CB 0.865 39.874 39.000 0.015 0.000 1.260 412 F HN 0.134 nan 8.300 nan 0.000 0.465 413 F N -0.367 119.724 119.950 0.235 0.000 2.514 413 F HA 0.177 4.704 4.527 -0.000 0.000 0.281 413 F C 0.960 176.862 175.800 0.170 0.000 1.060 413 F CA 0.048 58.147 58.000 0.165 0.000 1.397 413 F CB -0.634 38.446 39.000 0.133 0.000 1.129 413 F HN 0.526 nan 8.300 nan 0.000 0.620 414 N N 2.744 121.545 118.700 0.168 0.000 2.453 414 N HA 0.232 4.972 4.740 -0.000 0.000 0.253 414 N C -3.231 172.304 175.510 0.041 0.000 1.252 414 N CA -0.966 52.156 53.050 0.120 0.000 0.917 414 N CB 0.858 39.405 38.487 0.100 0.000 1.117 414 N HN 0.333 nan 8.380 nan 0.000 0.442 415 P HA 0.324 nan 4.420 nan 0.000 0.283 415 P C -0.965 176.281 177.300 -0.091 0.000 1.278 415 P CA -0.297 62.737 63.100 -0.110 0.000 0.834 415 P CB 1.603 33.137 31.700 -0.277 0.000 1.150 416 E N -1.180 118.970 120.200 -0.083 0.000 2.458 416 E HA 0.399 4.749 4.350 -0.000 0.000 0.278 416 E C -1.069 175.512 176.600 -0.032 0.000 1.004 416 E CA -0.996 55.370 56.400 -0.058 0.000 0.823 416 E CB 0.963 30.625 29.700 -0.064 0.000 1.396 416 E HN 0.286 nan 8.360 nan 0.000 0.463 417 E N 0.359 120.566 120.200 0.011 0.000 2.366 417 E HA 0.392 4.742 4.350 -0.000 0.000 0.266 417 E C -0.657 176.019 176.600 0.126 0.000 1.051 417 E CA -0.102 56.322 56.400 0.040 0.000 0.884 417 E CB 1.602 31.324 29.700 0.037 0.000 1.006 417 E HN 0.431 nan 8.360 nan 0.000 0.417 418 S N 0.869 116.641 115.700 0.119 0.000 2.755 418 S HA 0.346 4.816 4.470 -0.000 0.000 0.286 418 S C -2.068 172.632 174.600 0.168 0.000 1.207 418 S CA -0.748 57.559 58.200 0.179 0.000 0.892 418 S CB 1.400 64.657 63.200 0.096 0.000 1.240 418 S HN 0.589 nan 8.310 nan 0.000 0.525 419 E N 0.980 121.285 120.200 0.176 0.000 2.388 419 E HA 0.330 4.680 4.350 -0.000 0.000 0.281 419 E C -1.936 174.766 176.600 0.170 0.000 1.046 419 E CA -0.676 55.833 56.400 0.181 0.000 0.825 419 E CB 0.106 29.948 29.700 0.236 0.000 1.243 419 E HN 0.579 nan 8.360 nan 0.000 0.438 420 L N 1.925 123.257 121.223 0.182 0.000 2.264 420 L HA 0.512 4.852 4.340 -0.000 0.000 0.289 420 L C -0.186 176.821 176.870 0.228 0.000 1.044 420 L CA -0.639 54.302 54.840 0.169 0.000 0.807 420 L CB 0.974 43.123 42.059 0.150 0.000 1.192 420 L HN 0.621 nan 8.230 nan 0.000 0.425 421 D N 3.448 123.968 120.400 0.200 0.000 2.433 421 D HA 0.602 5.242 4.640 -0.000 0.000 0.236 421 D C -1.394 175.024 176.300 0.197 0.000 1.026 421 D CA -0.547 53.592 54.000 0.231 0.000 0.884 421 D CB 2.229 43.139 40.800 0.182 0.000 1.384 421 D HN 0.265 nan 8.370 nan 0.000 0.477 422 L N 2.473 123.836 121.223 0.233 0.000 2.518 422 L HA 0.484 4.824 4.340 -0.000 0.000 0.262 422 L C -1.461 175.571 176.870 0.270 0.000 0.982 422 L CA -0.079 54.890 54.840 0.214 0.000 0.873 422 L CB 1.619 43.825 42.059 0.245 0.000 1.198 422 L HN 0.428 nan 8.230 nan 0.000 0.427 423 T N 4.533 119.218 114.554 0.218 0.000 2.756 423 T HA 0.267 4.617 4.350 -0.000 0.000 0.290 423 T C 0.802 175.683 174.700 0.301 0.000 0.985 423 T CA -0.070 62.176 62.100 0.243 0.000 0.955 423 T CB 0.651 69.620 68.868 0.169 0.000 0.930 423 T HN 0.388 nan 8.240 nan 0.000 0.451 424 Y N 2.484 122.854 120.300 0.116 0.000 2.256 424 Y HA -0.054 4.496 4.550 -0.000 0.000 0.288 424 Y C 2.525 178.499 175.900 0.123 0.000 1.155 424 Y CA 1.208 59.417 58.100 0.182 0.000 1.203 424 Y CB -0.983 37.593 38.460 0.193 0.000 0.980 424 Y HN 0.798 nan 8.280 nan 0.000 0.530 425 G N -0.549 108.395 108.800 0.240 0.000 2.450 425 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.220 425 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.220 425 G C 1.476 176.432 174.900 0.093 0.000 1.130 425 G CA 1.473 46.659 45.100 0.143 0.000 0.760 425 G HN 0.397 nan 8.290 nan 0.000 0.557 426 N N -0.823 117.918 118.700 0.069 0.000 2.508 426 N HA 0.095 4.835 4.740 -0.000 0.000 0.186 426 N C 1.976 177.453 175.510 -0.055 0.000 1.034 426 N CA 0.321 53.381 53.050 0.017 0.000 0.885 426 N CB -0.206 38.293 38.487 0.020 0.000 1.135 426 N HN 0.082 nan 8.380 nan 0.000 0.435 427 R N 0.182 120.598 120.500 -0.139 0.000 2.105 427 R HA -0.016 4.324 4.340 -0.000 0.000 0.239 427 R C -0.167 175.811 176.300 -0.536 0.000 1.135 427 R CA 1.521 57.371 56.100 -0.416 0.000 0.967 427 R CB -0.290 29.630 30.300 -0.635 0.000 0.861 427 R HN 0.313 nan 8.270 nan 0.000 0.442 428 Y N 1.204 121.477 120.300 -0.045 0.000 2.516 428 Y HA 0.243 4.793 4.550 -0.000 0.000 0.341 428 Y C 0.645 176.536 175.900 -0.016 0.000 0.912 428 Y CA -0.999 57.063 58.100 -0.063 0.000 1.167 428 Y CB 0.520 38.888 38.460 -0.153 0.000 1.195 428 Y HN -0.012 nan 8.280 nan 0.000 0.610 429 K N -0.828 119.629 120.400 0.095 0.000 2.362 429 K HA -0.188 4.132 4.320 -0.000 0.000 0.202 429 K C 0.396 177.032 176.600 0.059 0.000 1.045 429 K CA 1.428 57.756 56.287 0.068 0.000 0.936 429 K CB 0.073 32.595 32.500 0.036 0.000 0.747 429 K HN 0.342 nan 8.250 nan 0.000 0.467 430 N N 1.279 120.017 118.700 0.064 0.000 2.244 430 N HA -0.065 4.675 4.740 -0.000 0.000 0.189 430 N C 0.514 176.038 175.510 0.024 0.000 1.047 430 N CA 0.605 53.677 53.050 0.037 0.000 0.870 430 N CB -0.518 37.988 38.487 0.032 0.000 1.041 430 N HN 0.092 nan 8.380 nan 0.000 0.448 431 V N 2.655 122.584 119.914 0.024 0.000 2.584 431 V HA 0.227 4.347 4.120 -0.000 0.000 0.303 431 V C 0.238 176.330 176.094 -0.004 0.000 1.035 431 V CA 0.228 62.523 62.300 -0.008 0.000 1.172 431 V CB -0.451 31.345 31.823 -0.046 0.000 0.896 431 V HN 0.422 nan 8.190 nan 0.000 0.486 432 K N 7.426 127.805 120.400 -0.034 0.000 2.183 432 K HA 0.652 4.972 4.320 -0.000 0.000 0.274 432 K C -0.590 175.975 176.600 -0.058 0.000 1.009 432 K CA -0.602 55.655 56.287 -0.051 0.000 0.888 432 K CB 0.904 33.348 32.500 -0.093 0.000 1.078 432 K HN 0.831 nan 8.250 nan 0.000 0.459 433 L N 4.436 125.634 121.223 -0.042 0.000 2.290 433 L HA 0.346 4.686 4.340 -0.000 0.000 0.284 433 L C -1.407 175.412 176.870 -0.084 0.000 1.078 433 L CA -1.857 52.959 54.840 -0.040 0.000 0.815 433 L CB 1.126 43.181 42.059 -0.006 0.000 1.162 433 L HN 0.714 nan 8.230 nan 0.000 0.435 434 P HA 0.054 nan 4.420 nan 0.000 0.271 434 P C -0.902 176.362 177.300 -0.060 0.000 1.218 434 P CA -0.410 62.635 63.100 -0.092 0.000 0.780 434 P CB 0.946 32.614 31.700 -0.053 0.000 0.901 435 D N 0.763 121.140 120.400 -0.038 0.000 2.399 435 D HA 0.239 4.879 4.640 -0.000 0.000 0.241 435 D C 1.531 177.881 176.300 0.083 0.000 1.133 435 D CA 0.047 54.074 54.000 0.045 0.000 0.890 435 D CB 0.896 41.783 40.800 0.145 0.000 1.201 435 D HN 0.362 nan 8.370 nan 0.000 0.432 436 A N 3.057 125.918 122.820 0.068 0.000 1.915 436 A HA -0.295 4.025 4.320 -0.000 0.000 0.220 436 A C 1.905 179.492 177.584 0.006 0.000 1.198 436 A CA 1.705 53.735 52.037 -0.011 0.000 0.647 436 A CB -1.365 17.610 19.000 -0.041 0.000 0.825 436 A HN 0.822 nan 8.150 nan 0.000 0.456 437 Y N 0.116 120.468 120.300 0.086 0.000 2.256 437 Y HA -0.187 4.363 4.550 -0.000 0.000 0.288 437 Y C 2.495 178.477 175.900 0.138 0.000 1.155 437 Y CA 1.653 59.828 58.100 0.126 0.000 1.203 437 Y CB -0.298 38.225 38.460 0.107 0.000 0.980 437 Y HN 0.480 nan 8.280 nan 0.000 0.530 438 E N -0.141 120.206 120.200 0.245 0.000 2.017 438 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 438 E C 2.315 178.994 176.600 0.132 0.000 0.997 438 E CA 1.059 57.561 56.400 0.170 0.000 0.804 438 E CB -0.228 29.549 29.700 0.127 0.000 0.757 438 E HN 0.348 nan 8.360 nan 0.000 0.448 439 R N 0.767 121.327 120.500 0.100 0.000 2.096 439 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 439 R C 2.394 178.797 176.300 0.171 0.000 1.127 439 R CA 0.850 57.012 56.100 0.103 0.000 0.968 439 R CB -0.101 30.233 30.300 0.056 0.000 0.861 439 R HN 0.157 nan 8.270 nan 0.000 0.440 440 L N 0.170 121.481 121.223 0.147 0.000 2.005 440 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 440 L C 2.477 179.604 176.870 0.429 0.000 1.072 440 L CA 1.353 56.321 54.840 0.213 0.000 0.744 440 L CB -0.449 41.599 42.059 -0.018 0.000 0.895 440 L HN 0.250 nan 8.230 nan 0.000 0.433 441 I N -0.166 120.642 120.570 0.396 0.000 2.208 441 I HA -0.363 3.807 4.170 -0.000 0.000 0.245 441 I C 2.597 178.982 176.117 0.447 0.000 1.097 441 I CA 1.388 62.976 61.300 0.480 0.000 1.363 441 I CB -0.173 38.085 38.000 0.431 0.000 1.051 441 I HN 0.283 nan 8.210 nan 0.000 0.413 442 L N 0.571 121.953 121.223 0.265 0.000 2.042 442 L HA -0.297 4.043 4.340 -0.000 0.000 0.210 442 L C 2.011 179.035 176.870 0.258 0.000 1.076 442 L CA 1.866 56.807 54.840 0.170 0.000 0.749 442 L CB -0.392 41.707 42.059 0.067 0.000 0.893 442 L HN 0.242 nan 8.230 nan 0.000 0.432 443 D N -0.796 119.779 120.400 0.292 0.000 2.133 443 D HA -0.207 4.433 4.640 -0.000 0.000 0.195 443 D C 2.174 178.620 176.300 0.242 0.000 0.997 443 D CA 1.526 55.702 54.000 0.293 0.000 0.840 443 D CB -0.076 41.005 40.800 0.468 0.000 0.947 443 D HN 0.194 nan 8.370 nan 0.000 0.452 444 V N 0.077 120.147 119.914 0.259 0.000 2.343 444 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 444 V C 1.978 177.958 176.094 -0.191 0.000 1.051 444 V CA 1.306 63.544 62.300 -0.104 0.000 1.036 444 V CB -0.633 31.107 31.823 -0.139 0.000 0.654 444 V HN 0.130 nan 8.190 nan 0.000 0.451 445 F N -0.057 119.857 119.950 -0.060 0.000 2.075 445 F HA -0.159 4.368 4.527 -0.000 0.000 0.297 445 F C 2.597 178.359 175.800 -0.065 0.000 1.113 445 F CA 1.940 59.937 58.000 -0.005 0.000 1.218 445 F CB -1.011 38.012 39.000 0.038 0.000 0.984 445 F HN 0.111 nan 8.300 nan 0.000 0.472 446 C N -0.345 119.056 119.300 0.170 0.000 2.419 446 C HA 0.169 4.629 4.460 -0.000 0.000 0.283 446 C C 1.864 176.837 174.990 -0.029 0.000 1.373 446 C CA 1.050 60.117 59.018 0.081 0.000 1.781 446 C CB -1.557 26.232 27.740 0.082 0.000 1.886 446 C HN 0.805 nan 8.230 nan 0.000 0.520 447 G N 0.590 109.336 108.800 -0.090 0.000 2.255 447 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.239 447 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.239 447 G C 0.046 174.934 174.900 -0.020 0.000 1.083 447 G CA 0.424 45.459 45.100 -0.108 0.000 0.826 447 G HN 0.592 nan 8.290 nan 0.000 0.493 448 S N -0.440 115.270 115.700 0.017 0.000 2.532 448 S HA 0.481 4.951 4.470 -0.000 0.000 0.318 448 S C 1.250 175.774 174.600 -0.127 0.000 1.083 448 S CA -0.304 57.863 58.200 -0.056 0.000 1.131 448 S CB 0.812 63.984 63.200 -0.045 0.000 0.973 448 S HN 0.420 nan 8.310 nan 0.000 0.468 449 Q N 3.832 123.451 119.800 -0.302 0.000 2.482 449 Q HA 0.014 4.354 4.340 -0.000 0.000 0.209 449 Q C 1.746 177.718 176.000 -0.046 0.000 0.961 449 Q CA 0.299 55.845 55.803 -0.429 0.000 0.945 449 Q CB -0.064 28.332 28.738 -0.569 0.000 1.012 449 Q HN 0.796 nan 8.270 nan 0.000 0.515 450 M N 0.180 119.742 119.600 -0.063 0.000 2.195 450 M HA -0.201 4.279 4.480 -0.000 0.000 0.260 450 M C 0.606 176.956 176.300 0.082 0.000 1.066 450 M CA 1.450 56.713 55.300 -0.061 0.000 1.089 450 M CB 0.140 32.618 32.600 -0.203 0.000 1.377 450 M HN 0.261 nan 8.290 nan 0.000 0.411 451 H N -1.229 117.953 119.070 0.186 0.000 2.519 451 H HA 0.271 4.827 4.556 -0.000 0.000 0.289 451 H C -1.082 174.101 175.328 -0.241 0.000 1.040 451 H CA 0.021 56.060 56.048 -0.014 0.000 1.165 451 H CB -0.455 29.251 29.762 -0.093 0.000 1.462 451 H HN 0.154 nan 8.280 nan 0.000 0.555 452 F N -0.437 119.514 119.950 0.001 0.000 2.546 452 F HA 0.339 4.866 4.527 -0.000 0.000 0.320 452 F C 0.280 176.024 175.800 -0.093 0.000 1.076 452 F CA -1.318 56.641 58.000 -0.067 0.000 0.928 452 F CB 1.301 40.203 39.000 -0.164 0.000 1.189 452 F HN -0.325 nan 8.300 nan 0.000 0.465 453 V N 2.738 122.682 119.914 0.051 0.000 2.655 453 V HA 0.226 4.346 4.120 -0.000 0.000 0.300 453 V C 0.313 176.388 176.094 -0.032 0.000 1.044 453 V CA -0.404 61.885 62.300 -0.020 0.000 1.095 453 V CB 0.752 32.515 31.823 -0.099 0.000 0.952 453 V HN 0.700 nan 8.190 nan 0.000 0.485 454 R N 2.485 122.965 120.500 -0.032 0.000 2.598 454 R HA 0.344 4.683 4.340 -0.000 0.000 0.279 454 R C 1.644 177.930 176.300 -0.024 0.000 0.984 454 R CA 0.215 56.292 56.100 -0.038 0.000 0.999 454 R CB 1.479 31.759 30.300 -0.032 0.000 1.114 454 R HN 0.941 nan 8.270 nan 0.000 0.493 455 S N 2.057 117.745 115.700 -0.020 0.000 2.380 455 S HA -0.305 4.165 4.470 -0.000 0.000 0.229 455 S C 1.335 175.956 174.600 0.036 0.000 1.050 455 S CA 2.001 60.205 58.200 0.007 0.000 1.100 455 S CB -0.679 62.525 63.200 0.007 0.000 0.984 455 S HN 0.876 nan 8.310 nan 0.000 0.434 456 D N 1.583 122.000 120.400 0.028 0.000 2.149 456 D HA -0.165 4.475 4.640 -0.000 0.000 0.198 456 D C 1.750 178.082 176.300 0.054 0.000 0.990 456 D CA 1.588 55.613 54.000 0.041 0.000 0.839 456 D CB -0.845 39.970 40.800 0.025 0.000 0.948 456 D HN 0.685 nan 8.370 nan 0.000 0.460 457 E N 0.117 120.340 120.200 0.038 0.000 2.085 457 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 457 E C 2.367 179.018 176.600 0.086 0.000 0.994 457 E CA 0.685 57.112 56.400 0.044 0.000 0.801 457 E CB -0.150 29.563 29.700 0.022 0.000 0.743 457 E HN 0.358 nan 8.360 nan 0.000 0.453 458 L N 0.375 121.651 121.223 0.089 0.000 2.046 458 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 458 L C 2.537 179.579 176.870 0.286 0.000 1.077 458 L CA 0.415 55.356 54.840 0.169 0.000 0.747 458 L CB -0.343 41.773 42.059 0.094 0.000 0.896 458 L HN 0.180 nan 8.230 nan 0.000 0.432 459 L N -0.092 121.278 121.223 0.245 0.000 1.994 459 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 459 L C 2.661 179.670 176.870 0.232 0.000 1.071 459 L CA 1.802 56.806 54.840 0.273 0.000 0.745 459 L CB -0.627 41.527 42.059 0.159 0.000 0.892 459 L HN 0.189 nan 8.230 nan 0.000 0.431 460 E N -0.302 119.983 120.200 0.141 0.000 2.153 460 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 460 E C 2.171 178.829 176.600 0.098 0.000 0.988 460 E CA 1.202 57.658 56.400 0.094 0.000 0.811 460 E CB -0.462 29.266 29.700 0.047 0.000 0.746 460 E HN 0.603 nan 8.360 nan 0.000 0.466 461 A N 0.287 123.175 122.820 0.114 0.000 1.898 461 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 461 A C 2.102 179.761 177.584 0.125 0.000 1.181 461 A CA 1.091 53.172 52.037 0.073 0.000 0.620 461 A CB -1.053 17.943 19.000 -0.007 0.000 0.819 461 A HN 0.326 nan 8.150 nan 0.000 0.442 462 W N -0.553 120.812 121.300 0.109 0.000 2.355 462 W HA -0.122 4.538 4.660 -0.000 0.000 0.309 462 W C 2.615 179.163 176.519 0.049 0.000 1.206 462 W CA 0.916 58.306 57.345 0.076 0.000 1.284 462 W CB -0.048 29.460 29.460 0.080 0.000 1.145 462 W HN 0.185 nan 8.180 nan 0.000 0.502 463 R N 1.096 121.767 120.500 0.284 0.000 2.119 463 R HA -0.221 4.119 4.340 -0.000 0.000 0.246 463 R C 1.624 177.951 176.300 0.046 0.000 1.146 463 R CA 1.994 58.170 56.100 0.127 0.000 0.962 463 R CB -1.050 29.298 30.300 0.079 0.000 0.863 463 R HN 0.319 nan 8.270 nan 0.000 0.442 464 I N -0.858 119.701 120.570 -0.018 0.000 2.333 464 I HA -0.198 3.972 4.170 -0.000 0.000 0.246 464 I C 1.684 177.605 176.117 -0.326 0.000 1.106 464 I CA 1.063 62.220 61.300 -0.239 0.000 1.411 464 I CB -0.251 37.480 38.000 -0.448 0.000 1.082 464 I HN 0.007 nan 8.210 nan 0.000 0.420 465 F N 0.609 120.550 119.950 -0.014 0.000 2.619 465 F HA -0.055 4.472 4.527 -0.000 0.000 0.293 465 F C 2.783 178.610 175.800 0.045 0.000 1.119 465 F CA 1.073 59.060 58.000 -0.022 0.000 1.445 465 F CB -0.829 38.113 39.000 -0.098 0.000 1.119 465 F HN 0.059 nan 8.300 nan 0.000 0.573 466 T N -1.497 113.227 114.554 0.284 0.000 2.720 466 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 466 T C -0.397 174.386 174.700 0.139 0.000 1.037 466 T CA 1.128 63.356 62.100 0.213 0.000 1.144 466 T CB -1.746 67.210 68.868 0.148 0.000 0.864 466 T HN 0.078 nan 8.240 nan 0.000 0.444 467 P HA -0.041 nan 4.420 nan 0.000 0.215 467 P C 1.814 179.168 177.300 0.091 0.000 1.157 467 P CA 0.670 63.818 63.100 0.079 0.000 0.874 467 P CB -0.260 31.456 31.700 0.026 0.000 0.790 468 L N -0.940 120.324 121.223 0.068 0.000 1.976 468 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 468 L C 2.260 179.167 176.870 0.062 0.000 1.071 468 L CA 1.775 56.647 54.840 0.053 0.000 0.746 468 L CB -1.443 40.652 42.059 0.059 0.000 0.890 468 L HN -0.144 nan 8.230 nan 0.000 0.432 469 L N -0.684 120.599 121.223 0.101 0.000 2.051 469 L HA -0.326 4.014 4.340 -0.000 0.000 0.214 469 L C 2.715 179.625 176.870 0.066 0.000 1.076 469 L CA 1.865 56.751 54.840 0.076 0.000 0.758 469 L CB -0.925 41.200 42.059 0.110 0.000 0.890 469 L HN 0.551 nan 8.230 nan 0.000 0.433 470 H N -0.284 118.792 119.070 0.010 0.000 2.326 470 H HA -0.217 4.339 4.556 -0.000 0.000 0.301 470 H C 2.297 177.618 175.328 -0.011 0.000 1.081 470 H CA 2.081 58.123 56.048 -0.010 0.000 1.334 470 H CB -0.071 29.683 29.762 -0.014 0.000 1.385 470 H HN 0.297 nan 8.280 nan 0.000 0.504 471 Q N 0.143 119.823 119.800 -0.201 0.000 2.096 471 Q HA -0.143 4.197 4.340 -0.000 0.000 0.204 471 Q C 2.316 178.210 176.000 -0.177 0.000 0.982 471 Q CA 2.201 57.865 55.803 -0.231 0.000 0.850 471 Q CB -0.145 28.547 28.738 -0.077 0.000 0.901 471 Q HN 0.648 nan 8.270 nan 0.000 0.422 472 I N 0.577 121.087 120.570 -0.100 0.000 2.208 472 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 472 I C 2.495 178.561 176.117 -0.085 0.000 1.097 472 I CA 1.576 62.835 61.300 -0.069 0.000 1.363 472 I CB -0.381 37.596 38.000 -0.039 0.000 1.051 472 I HN 0.409 nan 8.210 nan 0.000 0.413 473 E N 0.877 121.014 120.200 -0.105 0.000 2.208 473 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 473 E C 2.179 178.707 176.600 -0.120 0.000 0.988 473 E CA 0.714 57.060 56.400 -0.091 0.000 0.828 473 E CB 0.159 29.823 29.700 -0.061 0.000 0.763 473 E HN 0.311 nan 8.360 nan 0.000 0.478 474 L N 1.353 122.445 121.223 -0.218 0.000 1.993 474 L HA -0.110 4.230 4.340 -0.000 0.000 0.206 474 L C 1.673 178.474 176.870 -0.116 0.000 1.074 474 L CA 1.909 56.625 54.840 -0.207 0.000 0.746 474 L CB -0.157 41.687 42.059 -0.357 0.000 0.896 474 L HN 0.035 nan 8.230 nan 0.000 0.435 475 E N -0.499 119.635 120.200 -0.109 0.000 2.502 475 E HA -0.064 4.286 4.350 -0.000 0.000 0.194 475 E C -0.181 176.393 176.600 -0.043 0.000 1.062 475 E CA -0.059 56.303 56.400 -0.064 0.000 0.867 475 E CB 0.066 29.732 29.700 -0.057 0.000 0.888 475 E HN 0.290 nan 8.360 nan 0.000 0.510 476 K N 1.369 121.741 120.400 -0.046 0.000 4.116 476 K HA -0.165 4.155 4.320 -0.000 0.000 0.277 476 K C -2.577 174.017 176.600 -0.011 0.000 0.835 476 K CA -0.090 56.181 56.287 -0.026 0.000 0.740 476 K CB -1.042 31.447 32.500 -0.019 0.000 1.714 476 K HN 0.164 nan 8.250 nan 0.000 0.433 477 P HA -0.024 nan 4.420 nan 0.000 0.271 477 P C -0.461 176.849 177.300 0.017 0.000 1.216 477 P CA -0.268 62.834 63.100 0.003 0.000 0.776 477 P CB 0.703 32.405 31.700 0.003 0.000 0.881 478 K N 4.351 124.764 120.400 0.022 0.000 2.316 478 K HA 0.256 4.576 4.320 -0.000 0.000 0.289 478 K C -2.220 174.407 176.600 0.045 0.000 1.070 478 K CA -1.631 54.676 56.287 0.032 0.000 0.928 478 K CB -0.040 32.476 32.500 0.027 0.000 1.039 478 K HN 0.309 nan 8.250 nan 0.000 0.480 479 P HA 0.054 nan 4.420 nan 0.000 0.270 479 P C -0.434 176.916 177.300 0.084 0.000 1.223 479 P CA -0.114 63.036 63.100 0.085 0.000 0.785 479 P CB 0.526 32.291 31.700 0.109 0.000 0.923 480 I N 3.345 123.975 120.570 0.100 0.000 2.396 480 I HA 0.149 4.319 4.170 -0.000 0.000 0.289 480 I C -2.056 174.136 176.117 0.126 0.000 1.056 480 I CA -1.991 59.359 61.300 0.085 0.000 1.365 480 I CB 0.726 38.762 38.000 0.059 0.000 1.407 480 I HN 0.145 nan 8.210 nan 0.000 0.509 481 P HA 0.102 nan 4.420 nan 0.000 0.276 481 P C -1.491 175.870 177.300 0.101 0.000 1.230 481 P CA 0.115 63.245 63.100 0.051 0.000 0.776 481 P CB 0.311 32.017 31.700 0.011 0.000 0.888 482 Y N 1.781 122.069 120.300 -0.019 0.000 2.421 482 Y HA 0.518 5.068 4.550 -0.000 0.000 0.339 482 Y C -0.372 175.548 175.900 0.033 0.000 0.996 482 Y CA -1.945 56.128 58.100 -0.045 0.000 1.046 482 Y CB 0.674 39.036 38.460 -0.164 0.000 1.226 482 Y HN 0.273 nan 8.280 nan 0.000 0.445 483 I N 5.052 125.677 120.570 0.093 0.000 2.752 483 I HA 0.025 4.195 4.170 -0.000 0.000 0.289 483 I C -0.307 175.919 176.117 0.182 0.000 1.197 483 I CA -0.091 61.267 61.300 0.098 0.000 1.432 483 I CB 0.335 38.392 38.000 0.095 0.000 1.359 483 I HN 0.907 nan 8.210 nan 0.000 0.571 484 Y N 7.537 127.874 120.300 0.062 0.000 2.810 484 Y HA 0.206 4.756 4.550 -0.000 0.000 0.332 484 Y C 1.233 177.181 175.900 0.079 0.000 1.243 484 Y CA 1.142 59.302 58.100 0.100 0.000 1.537 484 Y CB 0.297 38.846 38.460 0.148 0.000 1.265 484 Y HN 0.862 nan 8.280 nan 0.000 0.572 485 G N 2.819 111.776 108.800 0.261 0.000 2.195 485 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.246 485 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.246 485 G C 0.323 175.290 174.900 0.112 0.000 0.984 485 G CA 0.362 45.589 45.100 0.211 0.000 0.633 485 G HN 1.146 nan 8.290 nan 0.000 0.525 486 S N -0.724 115.046 115.700 0.117 0.000 2.671 486 S HA 0.646 5.116 4.470 -0.000 0.000 0.272 486 S C 1.133 175.730 174.600 -0.006 0.000 1.174 486 S CA 0.045 58.282 58.200 0.061 0.000 1.004 486 S CB 1.244 64.489 63.200 0.076 0.000 1.077 486 S HN 0.284 nan 8.310 nan 0.000 0.553 487 R N 0.130 120.595 120.500 -0.058 0.000 2.299 487 R HA 0.296 4.636 4.340 -0.000 0.000 0.197 487 R C 1.113 177.255 176.300 -0.263 0.000 0.971 487 R CA 0.619 56.649 56.100 -0.116 0.000 1.030 487 R CB -0.617 29.626 30.300 -0.095 0.000 0.932 487 R HN 0.957 nan 8.270 nan 0.000 0.477 488 G N 0.920 109.497 108.800 -0.372 0.000 2.498 488 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.651 488 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.651 488 G C -2.763 171.781 174.900 -0.594 0.000 1.284 488 G CA -1.327 43.237 45.100 -0.893 0.000 0.950 488 G HN -0.071 nan 8.290 nan 0.000 0.511 489 P HA 0.231 nan 4.420 nan 0.000 0.263 489 P C 1.272 178.454 177.300 -0.197 0.000 1.195 489 P CA 0.683 63.586 63.100 -0.327 0.000 0.762 489 P CB 0.538 32.055 31.700 -0.305 0.000 0.799 490 T N 1.528 116.022 114.554 -0.100 0.000 2.759 490 T HA -0.195 4.155 4.350 -0.000 0.000 0.269 490 T C 1.328 176.011 174.700 -0.028 0.000 1.042 490 T CA 1.482 63.549 62.100 -0.054 0.000 1.140 490 T CB -0.478 68.376 68.868 -0.024 0.000 0.864 490 T HN 0.459 nan 8.240 nan 0.000 0.455 491 E N 1.623 121.812 120.200 -0.019 0.000 2.114 491 E HA -0.144 4.206 4.350 -0.000 0.000 0.199 491 E C 2.408 179.025 176.600 0.028 0.000 1.008 491 E CA 1.332 57.737 56.400 0.010 0.000 0.810 491 E CB -0.686 29.025 29.700 0.017 0.000 0.739 491 E HN 0.580 nan 8.360 nan 0.000 0.456 492 A N 1.221 124.065 122.820 0.040 0.000 1.908 492 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 492 A C 1.722 179.335 177.584 0.048 0.000 1.181 492 A CA 1.996 54.089 52.037 0.093 0.000 0.627 492 A CB -0.575 18.571 19.000 0.242 0.000 0.818 492 A HN 0.145 nan 8.150 nan 0.000 0.445 493 D N -0.250 120.164 120.400 0.023 0.000 2.117 493 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 493 D C 1.888 178.221 176.300 0.056 0.000 0.987 493 D CA 1.470 55.486 54.000 0.028 0.000 0.829 493 D CB -0.510 40.288 40.800 -0.005 0.000 0.961 493 D HN 0.667 nan 8.370 nan 0.000 0.460 494 E N 0.458 120.683 120.200 0.041 0.000 2.160 494 E HA -0.126 4.224 4.350 -0.000 0.000 0.195 494 E C 2.214 178.846 176.600 0.053 0.000 0.991 494 E CA 0.185 56.614 56.400 0.047 0.000 0.810 494 E CB -0.031 29.689 29.700 0.034 0.000 0.742 494 E HN 0.247 nan 8.360 nan 0.000 0.466 495 L N 0.445 121.695 121.223 0.046 0.000 2.005 495 L HA -0.206 4.134 4.340 -0.000 0.000 0.207 495 L C 2.375 179.278 176.870 0.054 0.000 1.072 495 L CA 1.297 56.161 54.840 0.040 0.000 0.744 495 L CB -0.125 41.949 42.059 0.024 0.000 0.895 495 L HN 0.253 nan 8.230 nan 0.000 0.433 496 M N -0.425 119.211 119.600 0.060 0.000 2.108 496 M HA -0.303 4.177 4.480 -0.000 0.000 0.261 496 M C 2.298 178.712 176.300 0.190 0.000 1.066 496 M CA 1.936 57.293 55.300 0.095 0.000 1.107 496 M CB -0.512 32.129 32.600 0.068 0.000 1.356 496 M HN 0.214 nan 8.290 nan 0.000 0.406 497 K N 0.653 121.157 120.400 0.173 0.000 2.001 497 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 497 K C 2.214 178.872 176.600 0.097 0.000 1.048 497 K CA 1.373 57.743 56.287 0.138 0.000 0.932 497 K CB -0.177 32.381 32.500 0.096 0.000 0.715 497 K HN 0.172 nan 8.250 nan 0.000 0.437 498 R N 0.529 121.077 120.500 0.080 0.000 2.096 498 R HA -0.138 4.202 4.340 -0.000 0.000 0.240 498 R C 1.998 178.343 176.300 0.076 0.000 1.139 498 R CA 1.740 57.879 56.100 0.066 0.000 0.952 498 R CB -0.457 29.877 30.300 0.056 0.000 0.854 498 R HN 0.214 nan 8.270 nan 0.000 0.436 499 V N -0.263 119.704 119.914 0.090 0.000 3.444 499 V HA 0.076 4.196 4.120 -0.000 0.000 0.271 499 V C 1.137 177.292 176.094 0.103 0.000 1.188 499 V CA 1.684 64.049 62.300 0.108 0.000 1.168 499 V CB 0.474 32.367 31.823 0.117 0.000 0.810 499 V HN 0.783 nan 8.190 nan 0.000 0.500 500 G N -0.929 107.931 108.800 0.101 0.000 2.813 500 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.194 500 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.194 500 G C 0.003 174.971 174.900 0.114 0.000 1.010 500 G CA 0.009 45.162 45.100 0.088 0.000 0.771 500 G HN 0.345 nan 8.290 nan 0.000 0.485 501 F N 3.360 123.296 119.950 -0.023 0.000 2.495 501 F HA 0.625 5.152 4.527 -0.000 0.000 0.365 501 F C 0.448 176.255 175.800 0.013 0.000 1.090 501 F CA -0.078 57.906 58.000 -0.026 0.000 1.235 501 F CB 0.814 39.796 39.000 -0.030 0.000 1.119 501 F HN 0.134 nan 8.300 nan 0.000 0.562 502 Q N 6.279 125.688 119.800 -0.652 0.000 2.348 502 Q HA 0.160 4.500 4.340 -0.000 0.000 0.265 502 Q C -1.674 173.843 176.000 -0.806 0.000 0.998 502 Q CA -0.820 54.667 55.803 -0.527 0.000 0.831 502 Q CB 1.986 30.559 28.738 -0.275 0.000 1.251 502 Q HN 0.680 nan 8.270 nan 0.000 0.456 503 Y N 3.563 123.470 120.300 -0.655 0.000 2.326 503 Y HA 0.148 4.698 4.550 -0.000 0.000 0.337 503 Y C -0.470 175.311 175.900 -0.199 0.000 1.023 503 Y CA -0.871 56.965 58.100 -0.441 0.000 1.143 503 Y CB 0.952 39.310 38.460 -0.170 0.000 1.183 503 Y HN 0.473 nan 8.280 nan 0.000 0.485 504 E N 4.156 123.885 120.200 -0.786 0.000 2.114 504 E HA 0.330 4.680 4.350 -0.000 0.000 0.266 504 E C -0.018 176.057 176.600 -0.876 0.000 0.896 504 E CA -0.617 55.409 56.400 -0.624 0.000 0.750 504 E CB 1.436 30.949 29.700 -0.313 0.000 1.121 504 E HN 0.938 nan 8.360 nan 0.000 0.413 505 G N 2.955 111.338 108.800 -0.696 0.000 2.848 505 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.208 505 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.208 505 G C 0.653 175.471 174.900 -0.137 0.000 1.152 505 G CA 0.434 45.300 45.100 -0.390 0.000 0.789 505 G HN 0.581 nan 8.290 nan 0.000 0.531 506 T N -1.759 112.719 114.554 -0.127 0.000 3.316 506 T HA 0.485 4.835 4.350 -0.000 0.000 0.341 506 T C -1.097 173.655 174.700 0.086 0.000 1.397 506 T CA -0.845 61.240 62.100 -0.026 0.000 1.085 506 T CB 0.284 69.127 68.868 -0.042 0.000 1.160 506 T HN 0.127 nan 8.240 nan 0.000 0.694 507 Y N 2.903 123.175 120.300 -0.046 0.000 2.287 507 Y HA 0.397 4.947 4.550 -0.000 0.000 0.321 507 Y C -0.990 174.938 175.900 0.047 0.000 1.173 507 Y CA -2.176 55.924 58.100 -0.000 0.000 1.124 507 Y CB 1.307 39.772 38.460 0.008 0.000 1.201 507 Y HN 0.676 nan 8.280 nan 0.000 0.421 508 K N 3.057 123.335 120.400 -0.203 0.000 2.087 508 K HA 0.707 5.027 4.320 -0.000 0.000 0.255 508 K C -1.546 174.831 176.600 -0.372 0.000 0.988 508 K CA -0.519 55.622 56.287 -0.242 0.000 0.915 508 K CB 2.001 34.435 32.500 -0.110 0.000 1.043 508 K HN 0.547 nan 8.250 nan 0.000 0.457 509 W N 2.386 123.443 121.300 -0.405 0.000 3.439 509 W HA 0.429 5.089 4.660 -0.000 0.000 0.323 509 W C -1.734 174.671 176.519 -0.189 0.000 1.174 509 W CA -0.611 56.528 57.345 -0.343 0.000 1.224 509 W CB 1.539 30.743 29.460 -0.428 0.000 1.348 509 W HN 0.666 nan 8.180 nan 0.000 0.498 510 V N 2.686 121.903 119.914 -1.160 0.000 3.164 510 V HA 0.631 4.751 4.120 -0.000 0.000 0.313 510 V C -0.556 174.585 176.094 -1.589 0.000 1.188 510 V CA -0.995 60.718 62.300 -0.978 0.000 1.058 510 V CB 1.588 33.096 31.823 -0.525 0.000 1.110 510 V HN 0.709 nan 8.190 nan 0.000 0.453 511 N N 0.000 118.165 118.700 -0.891 0.000 1.763 511 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 511 N CA 0.000 52.665 53.050 -0.642 0.000 0.885 511 N CB 0.000 38.311 38.487 -0.293 0.000 1.341 511 N HN 0.000 nan 8.380 nan 0.000 0.667