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 1opl_1_A DATA FIRST_RESID 81 DATA SEQUENCE DPNLFVALYD FVASGDNTLS ITKGEKLRVL GYNHNGEWCE AQTKNGQGWV DATA SEQUENCE PSNYITPVNS LEKHSWYHGP VSRNAAEYLL SSGINGSFLV RESESSPGQR DATA SEQUENCE SISLRYEGRV YHYRINTASD GKLYVSSESR FNTLAELVHH HSTVADGLIT DATA SEQUENCE TLHYPAPKRN KPTVYGVSPN YDKWEMERTD ITMKHKLGGG QYGEVYEGVW DATA SEQUENCE KKYSLTVAVK TLKEDTMEVE EFLKEAAVMK EIKHPNLVQL LGVCTREPPF DATA SEQUENCE YIITEFMTYG NLLDYLRECN RQEVNAVVLL YMATQISSAM EYLEKKNFIH DATA SEQUENCE RNLAARNCLV GENHLVKVAD FGLSRLMTGD TYTAHAGAKF PIKWTAPESL DATA SEQUENCE AYNKFSIKSD VWAFGVLLWE IATYGMSPYP GIDLSQVYEL LEKDYRMERP DATA SEQUENCE EGCPEKVYEL MRACWQWNPS DRPSFAEIHQ AFETMFQESS ISDEVEKELG DATA SEQUENCE K 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 81 D HA 0.000 nan 4.640 nan 0.000 0.175 81 D C 0.000 176.292 176.300 -0.013 0.000 2.045 81 D CA 0.000 53.994 54.000 -0.010 0.000 0.868 81 D CB 0.000 40.797 40.800 -0.005 0.000 0.688 82 P HA 0.187 nan 4.420 nan 0.000 0.261 82 P C 0.172 177.486 177.300 0.024 0.000 1.183 82 P CA 0.194 63.296 63.100 0.004 0.000 0.761 82 P CB 0.717 32.425 31.700 0.013 0.000 0.785 83 N N 0.403 119.116 118.700 0.022 0.000 2.925 83 N HA -0.163 4.577 4.740 0.001 0.000 0.244 83 N C -0.850 174.753 175.510 0.156 0.000 1.000 83 N CA 0.502 53.615 53.050 0.106 0.000 0.895 83 N CB -1.644 36.932 38.487 0.148 0.000 1.119 83 N HN 0.351 nan 8.380 nan 0.000 0.569 84 L N 0.939 122.166 121.223 0.005 0.000 2.349 84 L HA 0.565 4.905 4.340 0.001 0.000 0.275 84 L C -0.191 176.616 176.870 -0.105 0.000 1.115 84 L CA 0.187 55.055 54.840 0.046 0.000 0.820 84 L CB 0.255 42.316 42.059 0.004 0.000 1.135 84 L HN 0.079 nan 8.230 nan 0.000 0.445 85 F N 3.236 123.172 119.950 -0.023 0.000 2.579 85 F HA 0.696 5.223 4.527 0.001 0.000 0.324 85 F C -0.139 175.642 175.800 -0.032 0.000 1.058 85 F CA -0.757 57.229 58.000 -0.024 0.000 0.944 85 F CB 1.970 40.961 39.000 -0.014 0.000 1.245 85 F HN 0.147 nan 8.300 nan 0.000 0.477 86 V N 1.498 121.496 119.914 0.139 0.000 2.789 86 V HA 0.838 4.959 4.120 0.001 0.000 0.311 86 V C -0.853 175.279 176.094 0.063 0.000 1.073 86 V CA -0.839 61.494 62.300 0.056 0.000 0.921 86 V CB 1.637 33.442 31.823 -0.029 0.000 1.009 86 V HN 0.964 nan 8.190 nan 0.000 0.426 87 A N 5.931 128.779 122.820 0.046 0.000 2.450 87 A HA 0.519 4.839 4.320 0.001 0.000 0.255 87 A C 0.599 178.162 177.584 -0.036 0.000 1.096 87 A CA -0.105 51.962 52.037 0.051 0.000 0.778 87 A CB 0.293 19.337 19.000 0.075 0.000 1.031 87 A HN 0.996 nan 8.150 nan 0.000 0.494 88 L N 1.210 122.388 121.223 -0.074 0.000 2.513 88 L HA 0.194 4.534 4.340 0.001 0.000 0.222 88 L C -0.548 175.889 176.870 -0.723 0.000 1.096 88 L CA 0.526 55.142 54.840 -0.373 0.000 0.857 88 L CB -0.173 41.649 42.059 -0.395 0.000 1.026 88 L HN 0.753 nan 8.230 nan 0.000 0.469 89 Y N -1.600 118.656 120.300 -0.073 0.000 2.562 89 Y HA 0.327 4.877 4.550 0.001 0.000 0.345 89 Y C -0.492 175.465 175.900 0.095 0.000 1.045 89 Y CA -1.691 56.356 58.100 -0.089 0.000 1.028 89 Y CB 0.999 39.219 38.460 -0.400 0.000 1.297 89 Y HN -0.205 nan 8.280 nan 0.000 0.463 90 D N 1.391 121.946 120.400 0.258 0.000 2.362 90 D HA 0.284 4.924 4.640 0.001 0.000 0.242 90 D C -1.249 175.310 176.300 0.431 0.000 1.132 90 D CA 0.562 54.716 54.000 0.256 0.000 0.907 90 D CB 0.654 41.548 40.800 0.157 0.000 1.195 90 D HN 0.364 nan 8.370 nan 0.000 0.429 91 F N 1.334 121.396 119.950 0.187 0.000 2.588 91 F HA 0.369 4.897 4.527 0.001 0.000 0.318 91 F C -1.555 174.290 175.800 0.075 0.000 1.155 91 F CA -0.754 57.328 58.000 0.136 0.000 0.967 91 F CB 1.111 40.134 39.000 0.039 0.000 1.236 91 F HN 0.066 nan 8.300 nan 0.000 0.455 92 V N 5.599 125.119 119.914 -0.656 0.000 2.427 92 V HA 0.741 4.861 4.120 0.001 0.000 0.286 92 V C 0.353 176.017 176.094 -0.717 0.000 1.034 92 V CA -0.582 61.428 62.300 -0.484 0.000 0.893 92 V CB 1.167 32.837 31.823 -0.254 0.000 0.982 92 V HN 0.999 nan 8.190 nan 0.000 0.452 93 A N 3.643 126.262 122.820 -0.336 0.000 2.401 93 A HA 0.630 4.950 4.320 0.001 0.000 0.259 93 A C 0.853 178.352 177.584 -0.141 0.000 1.103 93 A CA 0.136 52.070 52.037 -0.172 0.000 0.789 93 A CB 0.684 19.681 19.000 -0.005 0.000 1.035 93 A HN 0.887 nan 8.150 nan 0.000 0.491 94 S N 0.679 116.321 115.700 -0.096 0.000 2.786 94 S HA 0.193 4.664 4.470 0.001 0.000 0.269 94 S C 0.968 175.452 174.600 -0.194 0.000 1.040 94 S CA 0.356 58.455 58.200 -0.169 0.000 1.099 94 S CB -0.112 62.966 63.200 -0.203 0.000 0.936 94 S HN 1.220 nan 8.310 nan 0.000 0.450 95 G N 1.632 110.402 108.800 -0.049 0.000 2.358 95 G HA2 0.293 4.254 3.960 0.001 0.000 0.273 95 G HA3 0.293 4.254 3.960 0.001 0.000 0.273 95 G C 0.158 175.046 174.900 -0.020 0.000 1.215 95 G CA -0.085 44.987 45.100 -0.047 0.000 0.910 95 G HN 0.209 nan 8.290 nan 0.000 0.467 96 D N 1.817 122.191 120.400 -0.042 0.000 2.239 96 D HA -0.186 4.455 4.640 0.001 0.000 0.202 96 D C 2.026 178.349 176.300 0.038 0.000 0.993 96 D CA 1.609 55.602 54.000 -0.010 0.000 0.874 96 D CB 0.260 41.048 40.800 -0.020 0.000 0.922 96 D HN 0.511 nan 8.370 nan 0.000 0.464 97 N N -0.643 118.095 118.700 0.063 0.000 2.270 97 N HA -0.041 4.700 4.740 0.001 0.000 0.198 97 N C -0.130 175.541 175.510 0.268 0.000 1.117 97 N CA 0.144 53.290 53.050 0.160 0.000 0.845 97 N CB -0.541 38.069 38.487 0.205 0.000 0.980 97 N HN 0.117 nan 8.380 nan 0.000 0.486 98 T N -1.503 113.184 114.554 0.221 0.000 2.902 98 T HA 0.572 4.923 4.350 0.001 0.000 0.280 98 T C -0.226 174.648 174.700 0.291 0.000 0.992 98 T CA -0.953 61.364 62.100 0.361 0.000 1.015 98 T CB 1.685 70.849 68.868 0.494 0.000 1.044 98 T HN 0.089 nan 8.240 nan 0.000 0.520 99 L N 1.012 122.453 121.223 0.363 0.000 2.386 99 L HA 0.651 4.991 4.340 0.001 0.000 0.271 99 L C -0.308 176.752 176.870 0.316 0.000 0.993 99 L CA -0.364 54.618 54.840 0.236 0.000 0.819 99 L CB 2.322 44.459 42.059 0.131 0.000 1.294 99 L HN 0.834 nan 8.230 nan 0.000 0.414 100 S N 5.554 121.353 115.700 0.166 0.000 2.523 100 S HA 0.679 5.149 4.470 0.001 0.000 0.275 100 S C -0.215 174.480 174.600 0.157 0.000 1.281 100 S CA -0.352 57.927 58.200 0.132 0.000 1.050 100 S CB 0.164 63.380 63.200 0.026 0.000 0.937 100 S HN 0.592 nan 8.310 nan 0.000 0.492 101 I N -0.381 120.313 120.570 0.208 0.000 2.934 101 I HA 0.687 4.858 4.170 0.001 0.000 0.306 101 I C -0.755 175.449 176.117 0.145 0.000 1.110 101 I CA -0.728 60.669 61.300 0.161 0.000 1.019 101 I CB 2.466 40.569 38.000 0.172 0.000 1.227 101 I HN 0.283 nan 8.210 nan 0.000 0.434 102 T N 2.618 117.231 114.554 0.099 0.000 2.829 102 T HA 0.290 4.640 4.350 0.001 0.000 0.280 102 T C -0.344 174.392 174.700 0.061 0.000 0.999 102 T CA -0.610 61.536 62.100 0.077 0.000 0.983 102 T CB 1.491 70.387 68.868 0.047 0.000 0.968 102 T HN 0.654 nan 8.240 nan 0.000 0.446 103 K N 1.423 121.852 120.400 0.048 0.000 2.511 103 K HA 0.212 4.533 4.320 0.001 0.000 0.280 103 K C 1.316 177.906 176.600 -0.016 0.000 1.008 103 K CA 1.415 57.700 56.287 -0.003 0.000 1.050 103 K CB -0.309 32.164 32.500 -0.045 0.000 0.889 103 K HN 0.919 nan 8.250 nan 0.000 0.484 104 G N 2.523 111.304 108.800 -0.031 0.000 2.217 104 G HA2 -0.311 3.649 3.960 0.001 0.000 0.246 104 G HA3 -0.311 3.649 3.960 0.001 0.000 0.246 104 G C -0.008 174.887 174.900 -0.010 0.000 0.990 104 G CA 0.399 45.480 45.100 -0.031 0.000 0.627 104 G HN 0.748 nan 8.290 nan 0.000 0.522 105 E N 1.104 121.310 120.200 0.010 0.000 2.366 105 E HA 0.506 4.856 4.350 0.001 0.000 0.266 105 E C 0.310 176.925 176.600 0.026 0.000 1.051 105 E CA -0.485 55.926 56.400 0.019 0.000 0.884 105 E CB 0.421 30.139 29.700 0.030 0.000 1.006 105 E HN 0.330 nan 8.360 nan 0.000 0.417 106 K N 2.594 123.008 120.400 0.024 0.000 2.118 106 K HA 0.406 4.726 4.320 0.001 0.000 0.264 106 K C -0.894 175.733 176.600 0.045 0.000 1.000 106 K CA -0.538 55.771 56.287 0.037 0.000 0.929 106 K CB 0.738 33.252 32.500 0.024 0.000 1.021 106 K HN 0.314 nan 8.250 nan 0.000 0.463 107 L N 0.714 121.982 121.223 0.075 0.000 2.469 107 L HA 0.511 4.851 4.340 0.001 0.000 0.256 107 L C -0.650 176.266 176.870 0.077 0.000 1.006 107 L CA -0.765 54.101 54.840 0.045 0.000 0.832 107 L CB 1.699 43.763 42.059 0.007 0.000 1.421 107 L HN 0.479 nan 8.230 nan 0.000 0.410 108 R N 0.640 121.144 120.500 0.005 0.000 2.445 108 R HA 0.815 5.156 4.340 0.001 0.000 0.308 108 R C -1.609 174.620 176.300 -0.118 0.000 0.961 108 R CA -0.585 55.523 56.100 0.013 0.000 0.862 108 R CB 1.737 32.033 30.300 -0.007 0.000 1.144 108 R HN 0.500 nan 8.270 nan 0.000 0.447 109 V N 6.856 126.663 119.914 -0.177 0.000 2.407 109 V HA 0.181 4.301 4.120 0.001 0.000 0.278 109 V C 1.036 176.972 176.094 -0.263 0.000 1.037 109 V CA -0.324 61.743 62.300 -0.387 0.000 0.900 109 V CB 1.607 32.988 31.823 -0.736 0.000 0.983 109 V HN 0.844 nan 8.190 nan 0.000 0.459 110 L N 3.660 124.693 121.223 -0.316 0.000 2.357 110 L HA 0.535 4.876 4.340 0.001 0.000 0.211 110 L C 1.059 177.790 176.870 -0.231 0.000 1.075 110 L CA 0.871 55.569 54.840 -0.237 0.000 0.830 110 L CB 0.094 42.002 42.059 -0.251 0.000 0.996 110 L HN 0.823 nan 8.230 nan 0.000 0.467 111 G N -2.014 106.565 108.800 -0.369 0.000 2.349 111 G HA2 0.395 4.355 3.960 0.001 0.000 0.294 111 G HA3 0.395 4.355 3.960 0.001 0.000 0.294 111 G C -2.201 172.476 174.900 -0.371 0.000 1.380 111 G CA -0.577 44.381 45.100 -0.237 0.000 0.811 111 G HN -0.228 nan 8.290 nan 0.000 0.519 112 Y N 0.505 120.881 120.300 0.127 0.000 2.587 112 Y HA 0.533 5.084 4.550 0.001 0.000 0.337 112 Y C 0.926 177.055 175.900 0.381 0.000 1.065 112 Y CA -0.792 57.462 58.100 0.258 0.000 1.126 112 Y CB 1.775 40.319 38.460 0.141 0.000 1.279 112 Y HN 0.774 nan 8.280 nan 0.000 0.489 113 N N 0.489 119.490 118.700 0.501 0.000 2.381 113 N HA -0.059 4.682 4.740 0.001 0.000 0.289 113 N C 1.071 176.650 175.510 0.115 0.000 1.288 113 N CA 0.178 53.320 53.050 0.154 0.000 0.960 113 N CB -0.346 37.982 38.487 -0.265 0.000 1.116 113 N HN 0.893 nan 8.380 nan 0.000 0.557 114 H N -1.042 118.070 119.070 0.070 0.000 2.457 114 H HA -0.086 4.471 4.556 0.001 0.000 0.297 114 H C -0.036 175.364 175.328 0.120 0.000 1.092 114 H CA 1.829 57.934 56.048 0.096 0.000 1.309 114 H CB -0.480 29.349 29.762 0.113 0.000 1.382 114 H HN 0.702 nan 8.280 nan 0.000 0.535 115 N N -0.884 117.589 118.700 -0.378 0.000 2.177 115 N HA 0.150 4.890 4.740 0.001 0.000 0.218 115 N C 1.385 176.869 175.510 -0.043 0.000 1.182 115 N CA 0.388 53.358 53.050 -0.133 0.000 0.882 115 N CB 0.520 38.923 38.487 -0.139 0.000 1.052 115 N HN 0.456 nan 8.380 nan 0.000 0.519 116 G N 0.484 109.292 108.800 0.014 0.000 2.184 116 G HA2 -0.374 3.586 3.960 0.001 0.000 0.264 116 G HA3 -0.374 3.586 3.960 0.001 0.000 0.264 116 G C 0.695 175.678 174.900 0.138 0.000 0.975 116 G CA 0.590 45.729 45.100 0.065 0.000 0.642 116 G HN 0.474 nan 8.290 nan 0.000 0.536 117 E N -1.555 118.713 120.200 0.112 0.000 2.358 117 E HA 0.140 4.490 4.350 0.001 0.000 0.195 117 E C 0.485 177.112 176.600 0.044 0.000 1.010 117 E CA 0.427 56.878 56.400 0.085 0.000 0.856 117 E CB 0.149 29.912 29.700 0.105 0.000 0.795 117 E HN 0.663 nan 8.360 nan 0.000 0.504 118 W N -0.160 121.160 121.300 0.033 0.000 2.950 118 W HA 0.396 5.056 4.660 0.000 0.000 0.340 118 W C -0.672 176.007 176.519 0.267 0.000 1.139 118 W CA -0.886 56.495 57.345 0.060 0.000 1.188 118 W CB 1.268 30.691 29.460 -0.061 0.000 1.426 118 W HN -0.110 nan 8.180 nan 0.000 0.531 119 C N -0.410 119.163 119.300 0.454 0.000 2.994 119 C HA 0.695 5.156 4.460 0.001 0.000 0.305 119 C C -0.573 174.311 174.990 -0.176 0.000 1.251 119 C CA -1.034 57.997 59.018 0.022 0.000 1.478 119 C CB 1.442 28.843 27.740 -0.566 0.000 1.922 119 C HN 0.779 nan 8.230 nan 0.000 0.472 120 E N 1.299 121.061 120.200 -0.729 0.000 2.200 120 E HA 0.612 4.963 4.350 0.001 0.000 0.283 120 E C -0.112 176.160 176.600 -0.547 0.000 1.015 120 E CA -0.027 55.808 56.400 -0.942 0.000 0.819 120 E CB 1.112 30.066 29.700 -1.242 0.000 1.081 120 E HN 1.057 nan 8.360 nan 0.000 0.397 121 A N 4.263 126.849 122.820 -0.391 0.000 2.479 121 A HA 0.506 4.826 4.320 0.001 0.000 0.296 121 A C -1.169 176.299 177.584 -0.193 0.000 1.121 121 A CA -0.742 51.127 52.037 -0.280 0.000 0.743 121 A CB 1.699 20.555 19.000 -0.240 0.000 1.323 121 A HN 0.678 nan 8.150 nan 0.000 0.415 122 Q N 0.212 119.928 119.800 -0.140 0.000 2.353 122 Q HA 0.634 4.975 4.340 0.001 0.000 0.268 122 Q C -0.469 175.500 176.000 -0.051 0.000 1.045 122 Q CA -0.713 55.036 55.803 -0.090 0.000 0.811 122 Q CB 2.399 31.088 28.738 -0.081 0.000 1.305 122 Q HN 0.912 nan 8.270 nan 0.000 0.447 123 T N -2.363 112.172 114.554 -0.031 0.000 2.742 123 T HA 0.384 4.734 4.350 0.001 0.000 0.282 123 T C 0.586 175.281 174.700 -0.008 0.000 1.025 123 T CA -0.905 61.190 62.100 -0.010 0.000 1.020 123 T CB 1.054 69.925 68.868 0.005 0.000 1.317 123 T HN 0.269 nan 8.240 nan 0.000 0.538 124 K N 0.619 121.019 120.400 -0.000 0.000 2.442 124 K HA 0.079 4.400 4.320 0.001 0.000 0.198 124 K C 1.315 177.914 176.600 -0.001 0.000 1.042 124 K CA 0.591 56.877 56.287 -0.001 0.000 0.958 124 K CB -0.371 32.130 32.500 0.002 0.000 0.766 124 K HN 0.470 nan 8.250 nan 0.000 0.474 125 N N -0.100 118.601 118.700 0.002 0.000 2.409 125 N HA 0.009 4.750 4.740 0.001 0.000 0.174 125 N C 1.037 176.546 175.510 -0.001 0.000 1.037 125 N CA 0.845 53.897 53.050 0.004 0.000 0.898 125 N CB 1.049 39.543 38.487 0.013 0.000 1.010 125 N HN 0.251 nan 8.380 nan 0.000 0.445 126 G N -0.346 108.450 108.800 -0.006 0.000 2.399 126 G HA2 0.204 4.164 3.960 0.001 0.000 0.256 126 G HA3 0.204 4.164 3.960 0.001 0.000 0.256 126 G C -2.015 172.866 174.900 -0.032 0.000 1.236 126 G CA -0.548 44.543 45.100 -0.015 0.000 0.914 126 G HN 0.073 nan 8.290 nan 0.000 0.482 127 Q N -0.698 119.077 119.800 -0.043 0.000 2.315 127 Q HA 0.604 4.945 4.340 0.001 0.000 0.273 127 Q C -0.476 175.471 176.000 -0.087 0.000 1.053 127 Q CA -0.153 55.600 55.803 -0.084 0.000 0.817 127 Q CB 2.106 30.782 28.738 -0.103 0.000 1.326 127 Q HN 1.900 nan 8.270 nan 0.000 0.423 128 G N 1.462 110.179 108.800 -0.138 0.000 2.320 128 G HA2 0.259 4.219 3.960 0.001 0.000 0.296 128 G HA3 0.259 4.219 3.960 0.001 0.000 0.296 128 G C -2.265 172.550 174.900 -0.141 0.000 1.306 128 G CA -0.989 44.043 45.100 -0.113 0.000 0.836 128 G HN 0.513 nan 8.290 nan 0.000 0.517 129 W N 0.446 121.769 121.300 0.038 0.000 2.272 129 W HA 0.541 5.201 4.660 0.000 0.000 0.318 129 W C 0.613 177.240 176.519 0.180 0.000 1.255 129 W CA -0.088 57.306 57.345 0.083 0.000 1.200 129 W CB 1.661 31.134 29.460 0.021 0.000 1.170 129 W HN 0.539 nan 8.180 nan 0.000 0.549 130 V N 1.380 121.481 119.914 0.312 0.000 3.078 130 V HA 0.670 4.790 4.120 0.001 0.000 0.311 130 V C -2.837 172.974 176.094 -0.472 0.000 1.138 130 V CA -3.636 58.513 62.300 -0.251 0.000 1.007 130 V CB 1.867 33.519 31.823 -0.285 0.000 1.045 130 V HN 0.257 nan 8.190 nan 0.000 0.432 131 P HA 0.286 nan 4.420 nan 0.000 0.267 131 P C 0.723 177.721 177.300 -0.503 0.000 1.205 131 P CA 0.293 62.646 63.100 -1.245 0.000 0.765 131 P CB 1.076 31.816 31.700 -1.599 0.000 0.828 132 S N 2.342 117.882 115.700 -0.267 0.000 2.399 132 S HA -0.152 4.319 4.470 0.001 0.000 0.231 132 S C 1.324 175.945 174.600 0.035 0.000 1.022 132 S CA 1.593 59.779 58.200 -0.023 0.000 0.983 132 S CB -0.783 62.507 63.200 0.149 0.000 0.803 132 S HN 0.662 nan 8.310 nan 0.000 0.480 133 N N -0.017 118.695 118.700 0.019 0.000 2.370 133 N HA 0.006 4.747 4.740 0.001 0.000 0.198 133 N C 0.316 175.941 175.510 0.191 0.000 1.156 133 N CA 0.226 53.331 53.050 0.092 0.000 0.839 133 N CB -0.533 37.974 38.487 0.032 0.000 0.989 133 N HN 0.307 nan 8.380 nan 0.000 0.468 134 Y N 0.866 121.125 120.300 -0.067 0.000 2.482 134 Y HA 0.371 4.921 4.550 0.001 0.000 0.270 134 Y C 0.945 176.912 175.900 0.111 0.000 1.152 134 Y CA -0.761 57.379 58.100 0.066 0.000 1.292 134 Y CB 0.153 38.566 38.460 -0.078 0.000 1.070 134 Y HN 0.193 nan 8.280 nan 0.000 0.528 135 I N -3.873 116.822 120.570 0.208 0.000 3.145 135 I HA 0.787 4.957 4.170 0.001 0.000 0.313 135 I C -0.592 175.675 176.117 0.249 0.000 1.122 135 I CA -0.829 60.584 61.300 0.188 0.000 0.987 135 I CB 2.649 40.734 38.000 0.142 0.000 1.236 135 I HN -0.302 nan 8.210 nan 0.000 0.453 136 T N 2.195 116.916 114.554 0.279 0.000 2.889 136 T HA 0.547 4.898 4.350 0.001 0.000 0.315 136 T C -2.930 171.759 174.700 -0.017 0.000 1.291 136 T CA -1.283 60.936 62.100 0.198 0.000 1.028 136 T CB 2.189 71.079 68.868 0.036 0.000 1.235 136 T HN 0.514 nan 8.240 nan 0.000 0.491 137 P HA 0.110 nan 4.420 nan 0.000 0.266 137 P C 0.886 177.958 177.300 -0.380 0.000 1.195 137 P CA -0.151 62.478 63.100 -0.786 0.000 0.768 137 P CB 0.481 31.809 31.700 -0.621 0.000 0.838 138 V N 2.241 121.961 119.914 -0.324 0.000 2.594 138 V HA -0.204 3.917 4.120 0.001 0.000 0.253 138 V C 1.079 177.056 176.094 -0.195 0.000 1.069 138 V CA 1.952 64.132 62.300 -0.201 0.000 1.082 138 V CB -1.643 30.097 31.823 -0.138 0.000 0.680 138 V HN 0.706 nan 8.190 nan 0.000 0.469 139 N N 0.849 119.426 118.700 -0.205 0.000 2.918 139 N HA 0.341 5.082 4.740 0.001 0.000 0.247 139 N C -0.466 174.948 175.510 -0.160 0.000 1.117 139 N CA 0.202 53.159 53.050 -0.155 0.000 1.005 139 N CB 0.689 39.103 38.487 -0.123 0.000 1.297 139 N HN 0.350 nan 8.380 nan 0.000 0.513 140 S N 0.392 115.989 115.700 -0.171 0.000 2.565 140 S HA 0.188 4.658 4.470 0.001 0.000 0.274 140 S C 0.194 174.666 174.600 -0.213 0.000 1.144 140 S CA -0.990 57.113 58.200 -0.163 0.000 0.849 140 S CB 0.578 63.690 63.200 -0.147 0.000 1.103 140 S HN 0.259 nan 8.310 nan 0.000 0.455 141 L N 0.833 121.895 121.223 -0.268 0.000 2.291 141 L HA 0.032 4.372 4.340 0.001 0.000 0.214 141 L C 2.062 178.701 176.870 -0.386 0.000 1.120 141 L CA 1.107 55.692 54.840 -0.425 0.000 0.799 141 L CB -0.549 40.915 42.059 -0.992 0.000 0.925 141 L HN 0.735 nan 8.230 nan 0.000 0.446 142 E N 0.618 120.699 120.200 -0.198 0.000 2.333 142 E HA -0.216 4.135 4.350 0.001 0.000 0.198 142 E C 1.911 178.414 176.600 -0.163 0.000 1.007 142 E CA 0.776 57.162 56.400 -0.024 0.000 0.845 142 E CB -0.178 29.539 29.700 0.029 0.000 0.766 142 E HN 0.503 nan 8.360 nan 0.000 0.507 143 K N 0.053 120.276 120.400 -0.295 0.000 2.362 143 K HA -0.074 4.246 4.320 0.001 0.000 0.200 143 K C 0.157 176.477 176.600 -0.466 0.000 1.046 143 K CA 0.715 56.782 56.287 -0.367 0.000 0.952 143 K CB -0.071 32.180 32.500 -0.415 0.000 0.753 143 K HN 0.168 nan 8.250 nan 0.000 0.466 144 H N 1.836 120.644 119.070 -0.436 0.000 2.646 144 H HA 0.029 4.585 4.556 0.001 0.000 0.325 144 H C 1.185 176.135 175.328 -0.630 0.000 1.075 144 H CA 0.382 55.998 56.048 -0.721 0.000 1.421 144 H CB 1.913 30.754 29.762 -1.536 0.000 1.461 144 H HN 0.290 nan 8.280 nan 0.000 0.525 145 S N 3.341 118.828 115.700 -0.354 0.000 2.399 145 S HA -0.144 4.326 4.470 0.001 0.000 0.231 145 S C 1.718 176.247 174.600 -0.119 0.000 1.022 145 S CA 0.773 58.851 58.200 -0.203 0.000 0.983 145 S CB -0.275 62.887 63.200 -0.062 0.000 0.803 145 S HN 0.840 nan 8.310 nan 0.000 0.480 146 W N -0.361 120.981 121.300 0.071 0.000 2.905 146 W HA 0.308 4.968 4.660 0.001 0.000 0.251 146 W C 0.251 176.885 176.519 0.191 0.000 1.305 146 W CA -0.811 56.517 57.345 -0.029 0.000 1.465 146 W CB -0.762 28.549 29.460 -0.248 0.000 1.122 146 W HN 0.230 nan 8.180 nan 0.000 0.659 147 Y N 2.794 123.084 120.300 -0.018 0.000 2.477 147 Y HA 0.177 4.728 4.550 0.001 0.000 0.349 147 Y C 1.233 177.189 175.900 0.093 0.000 0.977 147 Y CA -0.024 58.144 58.100 0.112 0.000 1.214 147 Y CB -0.016 38.368 38.460 -0.127 0.000 1.124 147 Y HN -0.004 nan 8.280 nan 0.000 0.521 148 H N 4.312 123.176 119.070 -0.343 0.000 2.549 148 H HA 0.182 4.738 4.556 0.001 0.000 0.279 148 H C 1.462 176.617 175.328 -0.289 0.000 1.018 148 H CA 0.248 56.165 56.048 -0.219 0.000 1.175 148 H CB 0.417 30.116 29.762 -0.105 0.000 1.485 148 H HN 1.031 nan 8.280 nan 0.000 0.543 149 G N 2.539 110.972 108.800 -0.611 0.000 2.574 149 G HA2 -0.286 3.674 3.960 0.001 0.000 0.286 149 G HA3 -0.286 3.674 3.960 0.001 0.000 0.286 149 G C -2.017 172.822 174.900 -0.102 0.000 1.212 149 G CA -0.281 44.639 45.100 -0.299 0.000 0.979 149 G HN 0.226 nan 8.290 nan 0.000 0.557 150 P HA 0.461 nan 4.420 nan 0.000 0.263 150 P C -0.644 176.692 177.300 0.060 0.000 1.601 150 P CA 0.232 63.360 63.100 0.047 0.000 1.161 150 P CB 0.579 32.319 31.700 0.067 0.000 1.730 151 V N 3.116 123.063 119.914 0.054 0.000 2.709 151 V HA 0.280 4.400 4.120 0.001 0.000 0.308 151 V C 0.721 176.857 176.094 0.070 0.000 1.062 151 V CA -0.477 61.872 62.300 0.082 0.000 0.901 151 V CB 2.358 34.233 31.823 0.086 0.000 1.003 151 V HN 0.518 nan 8.190 nan 0.000 0.425 152 S N 4.818 120.571 115.700 0.088 0.000 2.645 152 S HA 0.345 4.815 4.470 0.001 0.000 0.266 152 S C 1.169 175.794 174.600 0.041 0.000 1.258 152 S CA -0.130 58.107 58.200 0.061 0.000 0.990 152 S CB 1.039 64.280 63.200 0.069 0.000 0.967 152 S HN 0.762 nan 8.310 nan 0.000 0.556 153 R N 0.980 121.469 120.500 -0.019 0.000 2.096 153 R HA -0.169 4.171 4.340 0.001 0.000 0.240 153 R C 1.562 177.856 176.300 -0.010 0.000 1.139 153 R CA 2.040 58.069 56.100 -0.119 0.000 0.952 153 R CB -0.615 29.530 30.300 -0.259 0.000 0.854 153 R HN 0.746 nan 8.270 nan 0.000 0.436 154 N N 0.390 119.116 118.700 0.043 0.000 2.188 154 N HA -0.129 4.611 4.740 0.001 0.000 0.184 154 N C 1.588 177.172 175.510 0.122 0.000 1.018 154 N CA 1.454 54.559 53.050 0.092 0.000 0.858 154 N CB -0.337 38.223 38.487 0.122 0.000 0.989 154 N HN 0.355 nan 8.380 nan 0.000 0.426 155 A N 1.006 123.917 122.820 0.152 0.000 1.930 155 A HA 0.079 4.400 4.320 0.001 0.000 0.217 155 A C 2.371 180.007 177.584 0.087 0.000 1.175 155 A CA 1.701 53.846 52.037 0.180 0.000 0.627 155 A CB -0.698 18.454 19.000 0.254 0.000 0.815 155 A HN 0.299 nan 8.150 nan 0.000 0.443 156 A N 0.083 122.951 122.820 0.079 0.000 1.902 156 A HA -0.191 4.129 4.320 0.001 0.000 0.217 156 A C 1.897 179.498 177.584 0.029 0.000 1.181 156 A CA 1.622 53.686 52.037 0.044 0.000 0.623 156 A CB -0.555 18.513 19.000 0.112 0.000 0.818 156 A HN 0.636 nan 8.150 nan 0.000 0.443 157 E N -1.685 118.566 120.200 0.085 0.000 2.153 157 E HA -0.218 4.132 4.350 0.001 0.000 0.194 157 E C 1.840 178.407 176.600 -0.055 0.000 0.988 157 E CA 1.450 57.869 56.400 0.033 0.000 0.811 157 E CB -0.308 29.432 29.700 0.067 0.000 0.746 157 E HN 0.838 nan 8.360 nan 0.000 0.466 158 Y N 1.566 121.775 120.300 -0.152 0.000 2.163 158 Y HA -0.148 4.403 4.550 0.001 0.000 0.288 158 Y C 1.957 177.725 175.900 -0.219 0.000 1.136 158 Y CA 1.212 59.154 58.100 -0.262 0.000 1.147 158 Y CB -0.316 37.793 38.460 -0.585 0.000 0.987 158 Y HN -0.091 nan 8.280 nan 0.000 0.509 159 L N -0.158 120.811 121.223 -0.423 0.000 2.079 159 L HA -0.243 4.098 4.340 0.001 0.000 0.210 159 L C 2.149 178.811 176.870 -0.347 0.000 1.081 159 L CA 1.336 55.933 54.840 -0.405 0.000 0.752 159 L CB -0.546 41.403 42.059 -0.183 0.000 0.896 159 L HN 0.295 nan 8.230 nan 0.000 0.433 160 L N -0.695 120.381 121.223 -0.245 0.000 2.591 160 L HA -0.015 4.325 4.340 0.001 0.000 0.228 160 L C 2.514 179.285 176.870 -0.164 0.000 1.133 160 L CA 0.393 55.141 54.840 -0.155 0.000 0.880 160 L CB -0.274 41.739 42.059 -0.077 0.000 1.033 160 L HN 0.303 nan 8.230 nan 0.000 0.450 161 S N -1.157 114.387 115.700 -0.259 0.000 2.481 161 S HA -0.114 4.357 4.470 0.001 0.000 0.231 161 S C 1.857 176.350 174.600 -0.178 0.000 0.996 161 S CA 0.858 58.935 58.200 -0.204 0.000 0.942 161 S CB -0.252 62.811 63.200 -0.227 0.000 0.768 161 S HN 0.482 nan 8.310 nan 0.000 0.520 162 S N 0.144 115.713 115.700 -0.218 0.000 2.577 162 S HA 0.489 4.960 4.470 0.001 0.000 0.219 162 S C 0.962 175.504 174.600 -0.097 0.000 0.962 162 S CA -0.185 57.929 58.200 -0.142 0.000 0.921 162 S CB -0.094 63.014 63.200 -0.153 0.000 0.789 162 S HN 0.618 nan 8.310 nan 0.000 0.497 163 G N 1.740 110.490 108.800 -0.084 0.000 2.641 163 G HA2 0.732 4.693 3.960 0.001 0.000 0.239 163 G HA3 0.732 4.693 3.960 0.001 0.000 0.239 163 G C -0.141 174.739 174.900 -0.034 0.000 1.402 163 G CA -0.738 44.335 45.100 -0.045 0.000 1.046 163 G HN 0.627 nan 8.290 nan 0.000 0.565 164 I N -3.792 116.779 120.570 0.003 0.000 3.466 164 I HA 0.506 4.677 4.170 0.001 0.000 0.311 164 I C -1.089 175.105 176.117 0.128 0.000 1.155 164 I CA -1.375 59.934 61.300 0.015 0.000 0.959 164 I CB 1.616 39.575 38.000 -0.068 0.000 1.332 164 I HN 0.129 nan 8.210 nan 0.000 0.483 165 N N 1.523 120.305 118.700 0.136 0.000 2.412 165 N HA 0.319 5.059 4.740 0.001 0.000 0.258 165 N C 0.864 176.581 175.510 0.346 0.000 1.236 165 N CA 1.571 54.753 53.050 0.220 0.000 0.882 165 N CB 0.695 39.301 38.487 0.197 0.000 1.066 165 N HN 1.056 nan 8.380 nan 0.000 0.465 166 G N 0.613 109.583 108.800 0.283 0.000 2.195 166 G HA2 -0.275 3.685 3.960 0.001 0.000 0.246 166 G HA3 -0.275 3.685 3.960 0.001 0.000 0.246 166 G C 0.095 175.227 174.900 0.387 0.000 0.984 166 G CA 0.145 45.370 45.100 0.207 0.000 0.633 166 G HN 0.579 nan 8.290 nan 0.000 0.525 167 S N 0.627 116.600 115.700 0.455 0.000 2.564 167 S HA 0.691 5.161 4.470 0.001 0.000 0.278 167 S C -0.164 174.670 174.600 0.391 0.000 1.333 167 S CA 0.663 59.117 58.200 0.424 0.000 1.048 167 S CB 0.558 63.898 63.200 0.234 0.000 0.900 167 S HN 1.408 nan 8.310 nan 0.000 0.505 168 F N 1.092 121.105 119.950 0.105 0.000 2.779 168 F HA 0.821 5.348 4.527 0.001 0.000 0.316 168 F C -1.883 173.956 175.800 0.064 0.000 1.164 168 F CA -1.638 56.395 58.000 0.055 0.000 0.924 168 F CB 0.646 39.661 39.000 0.025 0.000 1.348 168 F HN 0.453 nan 8.300 nan 0.000 0.467 169 L N -0.329 120.879 121.223 -0.025 0.000 2.671 169 L HA 0.911 5.252 4.340 0.001 0.000 0.259 169 L C -1.958 175.007 176.870 0.159 0.000 1.021 169 L CA -1.156 53.615 54.840 -0.114 0.000 0.871 169 L CB 1.561 43.384 42.059 -0.392 0.000 1.472 169 L HN 0.626 nan 8.230 nan 0.000 0.410 170 V N 1.224 121.281 119.914 0.238 0.000 2.495 170 V HA 0.838 4.958 4.120 0.001 0.000 0.298 170 V C -0.226 175.880 176.094 0.021 0.000 1.031 170 V CA -0.402 62.046 62.300 0.247 0.000 0.871 170 V CB 1.625 33.751 31.823 0.505 0.000 0.988 170 V HN 0.990 nan 8.190 nan 0.000 0.432 171 R N 2.783 123.288 120.500 0.008 0.000 2.867 171 R HA 0.827 5.167 4.340 0.001 0.000 0.268 171 R C -0.992 175.300 176.300 -0.013 0.000 1.014 171 R CA -0.924 55.127 56.100 -0.082 0.000 0.946 171 R CB 2.635 32.932 30.300 -0.005 0.000 1.208 171 R HN 0.654 nan 8.270 nan 0.000 0.477 172 E N 0.890 121.081 120.200 -0.016 0.000 2.244 172 E HA 0.220 4.570 4.350 0.001 0.000 0.266 172 E C -1.152 175.484 176.600 0.060 0.000 0.914 172 E CA -0.832 55.610 56.400 0.069 0.000 0.794 172 E CB 2.272 32.050 29.700 0.130 0.000 1.210 172 E HN 0.562 nan 8.360 nan 0.000 0.414 173 S N 1.850 117.590 115.700 0.066 0.000 2.549 173 S HA 0.009 4.479 4.470 0.001 0.000 0.279 173 S C 1.060 175.699 174.600 0.064 0.000 1.321 173 S CA -0.269 57.964 58.200 0.056 0.000 1.054 173 S CB 0.776 64.005 63.200 0.048 0.000 0.899 173 S HN 0.596 nan 8.310 nan 0.000 0.497 174 E N 4.218 124.458 120.200 0.065 0.000 2.076 174 E HA -0.098 4.252 4.350 0.001 0.000 0.190 174 E C 2.093 178.733 176.600 0.067 0.000 0.979 174 E CA 1.397 57.840 56.400 0.073 0.000 0.807 174 E CB -1.075 28.677 29.700 0.086 0.000 0.761 174 E HN 0.740 nan 8.360 nan 0.000 0.454 175 S N 2.124 117.861 115.700 0.062 0.000 2.343 175 S HA -0.096 4.374 4.470 0.001 0.000 0.219 175 S C 1.623 176.251 174.600 0.047 0.000 1.033 175 S CA 0.996 59.228 58.200 0.053 0.000 1.014 175 S CB -0.667 62.560 63.200 0.046 0.000 0.915 175 S HN 0.271 nan 8.310 nan 0.000 0.435 176 S N 2.761 118.487 115.700 0.045 0.000 2.567 176 S HA 0.599 5.069 4.470 0.001 0.000 0.262 176 S C -2.938 171.692 174.600 0.051 0.000 1.237 176 S CA -1.606 56.620 58.200 0.043 0.000 1.093 176 S CB 0.646 63.867 63.200 0.035 0.000 1.095 176 S HN 0.175 nan 8.310 nan 0.000 0.489 177 P HA 0.247 nan 4.420 nan 0.000 0.267 177 P C 1.290 178.631 177.300 0.068 0.000 1.201 177 P CA 1.215 64.356 63.100 0.068 0.000 0.775 177 P CB 0.187 31.925 31.700 0.064 0.000 0.854 178 G N 0.310 109.162 108.800 0.086 0.000 2.241 178 G HA2 -0.203 3.757 3.960 0.001 0.000 0.244 178 G HA3 -0.203 3.757 3.960 0.001 0.000 0.244 178 G C 0.016 174.964 174.900 0.081 0.000 0.998 178 G CA -0.331 44.819 45.100 0.082 0.000 0.621 178 G HN 0.540 nan 8.290 nan 0.000 0.519 179 Q N 1.294 121.138 119.800 0.074 0.000 2.349 179 Q HA 0.533 4.874 4.340 0.001 0.000 0.254 179 Q C 0.600 176.648 176.000 0.081 0.000 0.980 179 Q CA 0.161 56.002 55.803 0.062 0.000 0.924 179 Q CB 0.870 29.636 28.738 0.046 0.000 1.209 179 Q HN 0.627 nan 8.270 nan 0.000 0.445 180 R N 0.698 121.252 120.500 0.090 0.000 2.832 180 R HA 0.742 5.083 4.340 0.001 0.000 0.271 180 R C -0.430 175.927 176.300 0.097 0.000 0.996 180 R CA -0.610 55.559 56.100 0.116 0.000 0.977 180 R CB 1.763 32.172 30.300 0.180 0.000 1.168 180 R HN 0.435 nan 8.270 nan 0.000 0.482 181 S N 0.627 116.394 115.700 0.112 0.000 2.588 181 S HA 0.538 5.008 4.470 0.001 0.000 0.275 181 S C -0.754 173.941 174.600 0.158 0.000 1.130 181 S CA -0.728 57.547 58.200 0.125 0.000 0.855 181 S CB 1.659 64.930 63.200 0.118 0.000 1.116 181 S HN 0.369 nan 8.310 nan 0.000 0.472 182 I N 1.724 122.409 120.570 0.192 0.000 2.412 182 I HA 0.438 4.609 4.170 0.001 0.000 0.296 182 I C -0.290 175.987 176.117 0.266 0.000 0.987 182 I CA -0.250 61.178 61.300 0.213 0.000 1.180 182 I CB 1.877 39.960 38.000 0.138 0.000 1.340 182 I HN 0.412 nan 8.210 nan 0.000 0.455 183 S N 6.522 122.357 115.700 0.225 0.000 2.478 183 S HA 0.680 5.150 4.470 0.001 0.000 0.312 183 S C -0.923 173.766 174.600 0.149 0.000 1.094 183 S CA -0.459 57.818 58.200 0.128 0.000 1.081 183 S CB 1.584 64.865 63.200 0.134 0.000 1.007 183 S HN 0.372 nan 8.310 nan 0.000 0.475 184 L N 3.519 124.816 121.223 0.124 0.000 2.431 184 L HA 0.615 4.956 4.340 0.001 0.000 0.266 184 L C -0.563 176.429 176.870 0.202 0.000 0.978 184 L CA -0.551 54.409 54.840 0.200 0.000 0.822 184 L CB 1.760 43.945 42.059 0.210 0.000 1.310 184 L HN 0.669 nan 8.230 nan 0.000 0.409 185 R N 3.549 124.168 120.500 0.197 0.000 2.312 185 R HA 0.524 4.864 4.340 0.001 0.000 0.311 185 R C -2.053 174.420 176.300 0.288 0.000 1.004 185 R CA -0.382 55.839 56.100 0.203 0.000 0.902 185 R CB 0.923 31.297 30.300 0.123 0.000 1.073 185 R HN 0.723 nan 8.270 nan 0.000 0.457 186 Y N 3.346 123.748 120.300 0.170 0.000 2.358 186 Y HA 0.151 4.701 4.550 0.001 0.000 0.324 186 Y C -1.087 174.900 175.900 0.144 0.000 1.123 186 Y CA -0.815 57.348 58.100 0.105 0.000 1.067 186 Y CB 1.347 39.789 38.460 -0.030 0.000 1.230 186 Y HN 0.862 nan 8.280 nan 0.000 0.429 187 E N 4.283 124.145 120.200 -0.563 0.000 2.252 187 E HA -0.223 4.128 4.350 0.001 0.000 0.218 187 E C 1.107 177.619 176.600 -0.146 0.000 1.253 187 E CA 1.569 57.715 56.400 -0.423 0.000 0.705 187 E CB -1.430 27.926 29.700 -0.573 0.000 1.172 187 E HN 1.424 nan 8.360 nan 0.000 0.369 188 G N -0.219 108.528 108.800 -0.088 0.000 2.189 188 G HA2 -0.392 3.569 3.960 0.001 0.000 0.267 188 G HA3 -0.392 3.569 3.960 0.001 0.000 0.267 188 G C 0.390 175.269 174.900 -0.035 0.000 0.975 188 G CA 0.981 46.050 45.100 -0.052 0.000 0.644 188 G HN 0.371 nan 8.290 nan 0.000 0.537 189 R N -0.894 119.611 120.500 0.009 0.000 2.778 189 R HA 0.645 4.986 4.340 0.001 0.000 0.277 189 R C -0.662 175.622 176.300 -0.026 0.000 0.977 189 R CA -0.840 55.225 56.100 -0.057 0.000 0.950 189 R CB 2.378 32.592 30.300 -0.144 0.000 1.165 189 R HN 0.062 nan 8.270 nan 0.000 0.474 190 V N 3.057 122.866 119.914 -0.174 0.000 2.398 190 V HA 0.314 4.435 4.120 0.001 0.000 0.286 190 V C -1.039 174.794 176.094 -0.436 0.000 1.026 190 V CA -0.688 61.502 62.300 -0.184 0.000 0.868 190 V CB 0.923 32.621 31.823 -0.208 0.000 0.982 190 V HN 0.546 nan 8.190 nan 0.000 0.443 191 Y N 3.527 123.640 120.300 -0.313 0.000 2.342 191 Y HA 0.563 5.114 4.550 0.001 0.000 0.334 191 Y C 0.553 176.085 175.900 -0.614 0.000 1.067 191 Y CA -0.607 57.255 58.100 -0.397 0.000 1.128 191 Y CB 1.136 39.467 38.460 -0.215 0.000 1.200 191 Y HN 0.559 nan 8.280 nan 0.000 0.464 192 H N 3.444 122.337 119.070 -0.295 0.000 2.505 192 H HA 0.331 4.887 4.556 0.001 0.000 0.338 192 H C -1.502 173.585 175.328 -0.402 0.000 1.057 192 H CA -0.843 55.080 56.048 -0.209 0.000 1.202 192 H CB 1.331 31.031 29.762 -0.103 0.000 1.466 192 H HN 0.660 nan 8.280 nan 0.000 0.499 193 Y N 1.018 121.394 120.300 0.127 0.000 2.350 193 Y HA 0.263 4.813 4.550 0.001 0.000 0.338 193 Y C 0.723 176.641 175.900 0.030 0.000 0.961 193 Y CA -0.875 57.255 58.100 0.051 0.000 1.100 193 Y CB 1.784 40.231 38.460 -0.021 0.000 1.179 193 Y HN 0.443 nan 8.280 nan 0.000 0.454 194 R N 3.330 123.914 120.500 0.139 0.000 2.490 194 R HA 0.480 4.820 4.340 0.001 0.000 0.280 194 R C -1.054 175.261 176.300 0.024 0.000 1.077 194 R CA -0.242 55.899 56.100 0.068 0.000 1.065 194 R CB 0.430 30.746 30.300 0.028 0.000 1.003 194 R HN 0.778 nan 8.270 nan 0.000 0.470 195 I N 4.851 125.422 120.570 0.003 0.000 2.312 195 I HA 0.132 4.303 4.170 0.001 0.000 0.291 195 I C -0.074 175.961 176.117 -0.136 0.000 1.031 195 I CA -0.561 60.706 61.300 -0.055 0.000 1.293 195 I CB 1.095 39.100 38.000 0.009 0.000 1.403 195 I HN 0.617 nan 8.210 nan 0.000 0.484 196 N N 4.662 123.152 118.700 -0.349 0.000 2.493 196 N HA 0.386 5.126 4.740 0.001 0.000 0.275 196 N C -0.522 174.751 175.510 -0.394 0.000 1.186 196 N CA -0.262 52.495 53.050 -0.489 0.000 0.978 196 N CB 1.623 39.516 38.487 -0.990 0.000 1.184 196 N HN 0.436 nan 8.380 nan 0.000 0.487 197 T N 0.341 114.802 114.554 -0.155 0.000 2.812 197 T HA 0.544 4.894 4.350 0.001 0.000 0.282 197 T C 0.131 174.915 174.700 0.141 0.000 0.990 197 T CA -0.650 61.465 62.100 0.025 0.000 0.960 197 T CB 1.624 70.512 68.868 0.033 0.000 0.948 197 T HN 0.585 nan 8.240 nan 0.000 0.438 198 A N 1.967 124.933 122.820 0.243 0.000 2.259 198 A HA 0.563 4.884 4.320 0.001 0.000 0.278 198 A C 1.775 179.422 177.584 0.105 0.000 1.107 198 A CA -0.038 52.126 52.037 0.211 0.000 0.828 198 A CB -0.013 19.084 19.000 0.160 0.000 1.111 198 A HN 0.974 nan 8.150 nan 0.000 0.498 199 S N -0.114 115.629 115.700 0.072 0.000 2.419 199 S HA -0.173 4.297 4.470 0.001 0.000 0.235 199 S C 0.853 175.475 174.600 0.037 0.000 1.019 199 S CA 1.546 59.774 58.200 0.046 0.000 0.982 199 S CB -0.401 62.817 63.200 0.031 0.000 0.789 199 S HN 0.826 nan 8.310 nan 0.000 0.490 200 D N 0.085 120.505 120.400 0.034 0.000 2.342 200 D HA 0.273 4.913 4.640 0.001 0.000 0.221 200 D C 1.353 177.675 176.300 0.037 0.000 1.101 200 D CA 0.484 54.500 54.000 0.026 0.000 0.837 200 D CB -0.389 40.417 40.800 0.010 0.000 0.938 200 D HN 0.568 nan 8.370 nan 0.000 0.508 201 G N 0.532 109.364 108.800 0.053 0.000 2.225 201 G HA2 -0.315 3.645 3.960 0.001 0.000 0.254 201 G HA3 -0.315 3.645 3.960 0.001 0.000 0.254 201 G C 0.303 175.252 174.900 0.080 0.000 0.988 201 G CA 0.151 45.288 45.100 0.061 0.000 0.625 201 G HN 0.458 nan 8.290 nan 0.000 0.527 202 K N -0.009 120.442 120.400 0.086 0.000 2.380 202 K HA 0.461 4.781 4.320 0.001 0.000 0.267 202 K C 0.013 176.726 176.600 0.189 0.000 0.990 202 K CA -0.074 56.278 56.287 0.109 0.000 0.946 202 K CB 0.500 33.032 32.500 0.053 0.000 0.937 202 K HN 0.142 nan 8.250 nan 0.000 0.491 203 L N 2.898 124.248 121.223 0.211 0.000 2.325 203 L HA 0.494 4.835 4.340 0.001 0.000 0.278 203 L C -0.666 176.414 176.870 0.351 0.000 1.023 203 L CA -0.515 54.453 54.840 0.214 0.000 0.811 203 L CB 0.639 42.790 42.059 0.155 0.000 1.249 203 L HN 0.565 nan 8.230 nan 0.000 0.431 204 Y N -0.412 119.957 120.300 0.115 0.000 2.624 204 Y HA 0.657 5.207 4.550 0.001 0.000 0.334 204 Y C -0.561 175.397 175.900 0.098 0.000 1.155 204 Y CA -1.141 57.041 58.100 0.137 0.000 1.046 204 Y CB 0.676 39.174 38.460 0.064 0.000 1.316 204 Y HN 0.137 nan 8.280 nan 0.000 0.457 205 V N 0.191 120.237 119.914 0.220 0.000 2.690 205 V HA 0.158 4.278 4.120 0.001 0.000 0.240 205 V C 0.299 176.529 176.094 0.227 0.000 1.078 205 V CA 1.004 63.335 62.300 0.052 0.000 1.102 205 V CB 0.481 32.202 31.823 -0.171 0.000 0.800 205 V HN 0.755 nan 8.190 nan 0.000 0.479 206 S N 0.157 116.047 115.700 0.316 0.000 2.442 206 S HA 0.248 4.718 4.470 0.001 0.000 0.297 206 S C 1.134 175.866 174.600 0.220 0.000 1.131 206 S CA 0.092 58.447 58.200 0.258 0.000 1.092 206 S CB 1.537 64.847 63.200 0.183 0.000 0.998 206 S HN 0.336 nan 8.310 nan 0.000 0.478 207 S N 2.334 118.085 115.700 0.084 0.000 2.420 207 S HA -0.173 4.297 4.470 0.001 0.000 0.237 207 S C 1.913 176.332 174.600 -0.302 0.000 1.023 207 S CA 1.746 59.735 58.200 -0.351 0.000 0.991 207 S CB -0.220 62.849 63.200 -0.219 0.000 0.792 207 S HN 0.823 nan 8.310 nan 0.000 0.488 208 E N -0.032 120.086 120.200 -0.138 0.000 2.418 208 E HA 0.038 4.389 4.350 0.001 0.000 0.197 208 E C -0.119 176.369 176.600 -0.186 0.000 1.026 208 E CA 0.329 56.645 56.400 -0.140 0.000 0.862 208 E CB -0.108 29.549 29.700 -0.072 0.000 0.799 208 E HN 0.355 nan 8.360 nan 0.000 0.518 209 S N 1.044 116.637 115.700 -0.177 0.000 2.539 209 S HA 0.390 4.861 4.470 0.001 0.000 0.235 209 S C -0.642 173.707 174.600 -0.419 0.000 1.326 209 S CA -0.756 57.249 58.200 -0.326 0.000 1.183 209 S CB 1.105 64.203 63.200 -0.169 0.000 1.073 209 S HN 0.108 nan 8.310 nan 0.000 0.480 210 R N 1.567 121.664 120.500 -0.673 0.000 2.604 210 R HA 0.727 5.068 4.340 0.001 0.000 0.287 210 R C -1.249 174.488 176.300 -0.938 0.000 0.970 210 R CA -0.513 55.283 56.100 -0.506 0.000 0.946 210 R CB 1.231 31.354 30.300 -0.294 0.000 1.127 210 R HN 0.384 nan 8.270 nan 0.000 0.473 211 F N -0.139 119.820 119.950 0.015 0.000 2.603 211 F HA 0.305 4.832 4.527 0.001 0.000 0.317 211 F C 1.067 176.880 175.800 0.022 0.000 1.066 211 F CA -0.966 57.032 58.000 -0.003 0.000 0.941 211 F CB 1.651 40.644 39.000 -0.011 0.000 1.291 211 F HN 0.391 nan 8.300 nan 0.000 0.472 212 N N -0.638 118.175 118.700 0.187 0.000 2.270 212 N HA -0.027 4.713 4.740 0.001 0.000 0.181 212 N C 0.152 175.736 175.510 0.122 0.000 1.016 212 N CA 1.246 54.367 53.050 0.119 0.000 0.870 212 N CB 0.164 38.703 38.487 0.087 0.000 0.979 212 N HN 0.728 nan 8.380 nan 0.000 0.431 213 T N -3.710 110.930 114.554 0.142 0.000 2.901 213 T HA 0.302 4.653 4.350 0.001 0.000 0.293 213 T C 0.912 175.657 174.700 0.074 0.000 1.084 213 T CA -0.829 61.329 62.100 0.097 0.000 1.008 213 T CB 1.119 70.033 68.868 0.077 0.000 1.170 213 T HN -0.132 nan 8.240 nan 0.000 0.509 214 L N 0.989 122.248 121.223 0.060 0.000 2.017 214 L HA -0.007 4.333 4.340 0.001 0.000 0.208 214 L C 2.970 179.783 176.870 -0.095 0.000 1.073 214 L CA 2.147 57.009 54.840 0.037 0.000 0.745 214 L CB -0.969 41.168 42.059 0.130 0.000 0.894 214 L HN 1.007 nan 8.230 nan 0.000 0.432 215 A N -0.304 122.474 122.820 -0.069 0.000 1.908 215 A HA -0.267 4.054 4.320 0.001 0.000 0.218 215 A C 1.993 179.242 177.584 -0.557 0.000 1.181 215 A CA 1.893 53.750 52.037 -0.300 0.000 0.627 215 A CB -0.502 18.409 19.000 -0.149 0.000 0.818 215 A HN 0.556 nan 8.150 nan 0.000 0.445 216 E N -0.864 119.179 120.200 -0.261 0.000 2.110 216 E HA -0.169 4.181 4.350 0.001 0.000 0.193 216 E C 1.920 178.115 176.600 -0.676 0.000 0.988 216 E CA 1.117 57.354 56.400 -0.271 0.000 0.804 216 E CB -0.233 29.458 29.700 -0.016 0.000 0.745 216 E HN 0.525 nan 8.360 nan 0.000 0.458 217 L N 0.550 121.431 121.223 -0.571 0.000 2.046 217 L HA -0.150 4.191 4.340 0.001 0.000 0.208 217 L C 2.167 178.774 176.870 -0.438 0.000 1.077 217 L CA 1.405 55.877 54.840 -0.613 0.000 0.747 217 L CB -0.320 41.691 42.059 -0.079 0.000 0.896 217 L HN -0.050 nan 8.230 nan 0.000 0.432 218 V N -0.416 119.191 119.914 -0.512 0.000 2.343 218 V HA -0.334 3.787 4.120 0.001 0.000 0.247 218 V C 2.389 178.232 176.094 -0.418 0.000 1.051 218 V CA 2.195 64.129 62.300 -0.610 0.000 1.036 218 V CB -0.930 30.177 31.823 -1.193 0.000 0.654 218 V HN 0.619 nan 8.190 nan 0.000 0.451 219 H N -1.380 117.474 119.070 -0.360 0.000 2.387 219 H HA -0.222 4.335 4.556 0.001 0.000 0.299 219 H C 2.393 177.550 175.328 -0.286 0.000 1.090 219 H CA 1.640 57.537 56.048 -0.251 0.000 1.332 219 H CB 0.013 29.683 29.762 -0.152 0.000 1.386 219 H HN 0.571 nan 8.280 nan 0.000 0.516 220 H N 0.236 119.068 119.070 -0.397 0.000 2.326 220 H HA -0.112 4.444 4.556 0.001 0.000 0.301 220 H C 1.842 176.908 175.328 -0.436 0.000 1.081 220 H CA 1.583 57.354 56.048 -0.462 0.000 1.334 220 H CB -0.097 29.189 29.762 -0.793 0.000 1.385 220 H HN 0.392 nan 8.280 nan 0.000 0.504 221 H N -0.681 118.140 119.070 -0.414 0.000 2.555 221 H HA 0.087 4.644 4.556 0.001 0.000 0.269 221 H C 1.745 176.800 175.328 -0.455 0.000 0.988 221 H CA 0.897 56.668 56.048 -0.461 0.000 1.178 221 H CB 0.319 29.844 29.762 -0.395 0.000 1.373 221 H HN 0.369 nan 8.280 nan 0.000 0.588 222 S N -0.199 115.320 115.700 -0.303 0.000 2.489 222 S HA -0.073 4.397 4.470 0.001 0.000 0.228 222 S C 2.222 176.760 174.600 -0.103 0.000 0.995 222 S CA 1.229 59.302 58.200 -0.212 0.000 0.934 222 S CB 0.154 63.271 63.200 -0.138 0.000 0.771 222 S HN 0.685 nan 8.310 nan 0.000 0.522 223 T N -1.038 113.391 114.554 -0.208 0.000 3.018 223 T HA 0.288 4.638 4.350 0.001 0.000 0.246 223 T C 0.412 174.985 174.700 -0.211 0.000 1.026 223 T CA 0.280 62.288 62.100 -0.154 0.000 1.081 223 T CB -0.125 68.648 68.868 -0.157 0.000 0.970 223 T HN 0.189 nan 8.240 nan 0.000 0.475 224 V N -1.012 118.688 119.914 -0.357 0.000 2.760 224 V HA 0.935 5.056 4.120 0.001 0.000 0.309 224 V C 1.290 177.191 176.094 -0.322 0.000 1.077 224 V CA -0.839 61.271 62.300 -0.317 0.000 0.910 224 V CB 1.028 32.671 31.823 -0.300 0.000 1.008 224 V HN 0.225 nan 8.190 nan 0.000 0.424 225 A N 2.099 124.779 122.820 -0.233 0.000 1.902 225 A HA -0.071 4.249 4.320 0.001 0.000 0.217 225 A C 1.329 178.888 177.584 -0.041 0.000 1.181 225 A CA 1.727 53.651 52.037 -0.188 0.000 0.623 225 A CB -0.895 17.964 19.000 -0.236 0.000 0.818 225 A HN 1.770 nan 8.150 nan 0.000 0.443 226 D N -2.473 117.894 120.400 -0.056 0.000 2.720 226 D HA -0.073 4.568 4.640 0.001 0.000 0.229 226 D C 0.898 177.267 176.300 0.114 0.000 1.198 226 D CA 2.006 56.036 54.000 0.049 0.000 0.639 226 D CB -1.378 39.478 40.800 0.093 0.000 1.003 226 D HN 1.337 nan 8.370 nan 0.000 0.411 227 G N -1.423 107.372 108.800 -0.009 0.000 2.307 227 G HA2 -0.222 3.738 3.960 0.001 0.000 0.210 227 G HA3 -0.222 3.738 3.960 0.001 0.000 0.210 227 G C 0.447 175.245 174.900 -0.169 0.000 1.005 227 G CA -0.013 45.063 45.100 -0.040 0.000 0.634 227 G HN 0.505 nan 8.290 nan 0.000 0.496 228 L N 0.853 121.886 121.223 -0.317 0.000 2.421 228 L HA 0.536 4.876 4.340 0.001 0.000 0.263 228 L C 2.026 178.689 176.870 -0.345 0.000 1.122 228 L CA -0.632 53.878 54.840 -0.550 0.000 0.804 228 L CB 0.639 42.269 42.059 -0.715 0.000 1.150 228 L HN 0.099 nan 8.230 nan 0.000 0.457 229 I N -0.090 120.287 120.570 -0.320 0.000 2.335 229 I HA -0.156 4.015 4.170 0.001 0.000 0.251 229 I C 0.979 176.730 176.117 -0.609 0.000 1.129 229 I CA 1.658 62.663 61.300 -0.492 0.000 1.402 229 I CB 0.142 37.636 38.000 -0.843 0.000 1.069 229 I HN 0.756 nan 8.210 nan 0.000 0.424 230 T N -2.274 111.967 114.554 -0.522 0.000 2.665 230 T HA 0.369 4.719 4.350 0.001 0.000 0.303 230 T C -0.603 173.847 174.700 -0.417 0.000 1.334 230 T CA -0.117 61.688 62.100 -0.492 0.000 1.011 230 T CB 0.584 69.118 68.868 -0.557 0.000 1.573 230 T HN 0.166 nan 8.240 nan 0.000 0.492 231 T N 1.448 115.728 114.554 -0.458 0.000 2.868 231 T HA 0.595 4.945 4.350 0.001 0.000 0.292 231 T C 0.253 174.625 174.700 -0.545 0.000 1.028 231 T CA -0.727 61.060 62.100 -0.522 0.000 1.059 231 T CB 0.117 68.566 68.868 -0.699 0.000 0.991 231 T HN 0.478 nan 8.240 nan 0.000 0.531 232 L N 2.736 123.613 121.223 -0.575 0.000 2.302 232 L HA 0.295 4.636 4.340 0.001 0.000 0.285 232 L C 0.599 177.185 176.870 -0.473 0.000 1.090 232 L CA -0.534 53.763 54.840 -0.905 0.000 0.866 232 L CB -0.051 41.048 42.059 -1.599 0.000 1.244 232 L HN 0.758 nan 8.230 nan 0.000 0.435 233 H N 1.452 120.288 119.070 -0.389 0.000 2.788 233 H HA 0.217 4.773 4.556 0.001 0.000 0.262 233 H C -0.667 174.385 175.328 -0.459 0.000 0.968 233 H CA 0.091 55.841 56.048 -0.496 0.000 1.218 233 H CB 0.498 29.742 29.762 -0.863 0.000 1.443 233 H HN 0.382 nan 8.280 nan 0.000 0.478 234 Y N 0.854 121.472 120.300 0.531 0.000 2.526 234 Y HA 0.362 4.912 4.550 0.001 0.000 0.328 234 Y C -2.466 173.527 175.900 0.156 0.000 0.995 234 Y CA -2.901 55.388 58.100 0.315 0.000 1.304 234 Y CB 1.475 40.055 38.460 0.200 0.000 1.096 234 Y HN -0.068 nan 8.280 nan 0.000 0.499 235 P HA -0.024 nan 4.420 nan 0.000 0.265 235 P C -0.241 177.035 177.300 -0.041 0.000 1.193 235 P CA 0.165 63.117 63.100 -0.247 0.000 0.765 235 P CB 0.729 32.429 31.700 0.000 0.000 0.823 236 A N 6.033 128.793 122.820 -0.100 0.000 2.492 236 A HA 0.314 4.634 4.320 0.001 0.000 0.254 236 A C -2.068 175.619 177.584 0.171 0.000 1.091 236 A CA -1.033 50.989 52.037 -0.025 0.000 0.768 236 A CB -1.013 17.841 19.000 -0.243 0.000 1.028 236 A HN 0.392 nan 8.150 nan 0.000 0.498 237 P HA 0.132 nan 4.420 nan 0.000 0.269 237 P C -0.641 176.759 177.300 0.167 0.000 1.209 237 P CA 0.098 63.260 63.100 0.104 0.000 0.776 237 P CB 0.444 32.175 31.700 0.052 0.000 0.876 238 K N 3.200 123.631 120.400 0.053 0.000 2.244 238 K HA 0.221 4.542 4.320 0.001 0.000 0.263 238 K C 0.987 177.648 176.600 0.103 0.000 1.103 238 K CA -0.148 56.159 56.287 0.033 0.000 0.966 238 K CB 0.641 33.058 32.500 -0.138 0.000 1.429 238 K HN 0.301 nan 8.250 nan 0.000 0.434 239 R N 0.915 121.484 120.500 0.116 0.000 2.210 239 R HA 0.007 4.347 4.340 0.001 0.000 0.203 239 R C -0.117 176.234 176.300 0.085 0.000 1.010 239 R CA 0.549 56.707 56.100 0.097 0.000 1.008 239 R CB 0.011 30.362 30.300 0.085 0.000 0.923 239 R HN 0.469 nan 8.270 nan 0.000 0.469 240 N N 1.332 120.073 118.700 0.069 0.000 2.408 240 N HA 0.163 4.903 4.740 0.001 0.000 0.280 240 N C -1.121 174.260 175.510 -0.216 0.000 1.002 240 N CA -0.533 52.501 53.050 -0.027 0.000 0.907 240 N CB 1.617 40.096 38.487 -0.013 0.000 1.161 240 N HN -0.146 nan 8.380 nan 0.000 0.488 241 K N 2.203 122.410 120.400 -0.321 0.000 2.326 241 K HA 0.206 4.527 4.320 0.001 0.000 0.275 241 K C -2.240 173.996 176.600 -0.608 0.000 1.018 241 K CA -1.307 54.518 56.287 -0.770 0.000 0.962 241 K CB 0.272 32.497 32.500 -0.458 0.000 0.953 241 K HN 0.297 nan 8.250 nan 0.000 0.475 242 P HA -0.036 nan 4.420 nan 0.000 0.267 242 P C -0.695 176.463 177.300 -0.237 0.000 1.200 242 P CA 0.079 62.940 63.100 -0.400 0.000 0.772 242 P CB 0.397 31.886 31.700 -0.352 0.000 0.855 243 T N 1.616 115.998 114.554 -0.286 0.000 2.916 243 T HA 0.177 4.527 4.350 0.001 0.000 0.303 243 T C 0.121 174.504 174.700 -0.528 0.000 1.025 243 T CA -0.100 61.774 62.100 -0.377 0.000 1.142 243 T CB 0.125 68.701 68.868 -0.486 0.000 0.947 243 T HN 0.033 nan 8.240 nan 0.000 0.544 244 V N 4.393 124.052 119.914 -0.426 0.000 2.370 244 V HA 0.219 4.339 4.120 0.001 0.000 0.283 244 V C -0.522 175.387 176.094 -0.308 0.000 1.023 244 V CA -0.794 61.260 62.300 -0.411 0.000 0.857 244 V CB 0.560 32.207 31.823 -0.293 0.000 0.985 244 V HN 0.864 nan 8.190 nan 0.000 0.443 245 Y N 4.772 125.094 120.300 0.037 0.000 2.623 245 Y HA 0.530 5.080 4.550 0.001 0.000 0.341 245 Y C 1.225 177.215 175.900 0.150 0.000 1.292 245 Y CA 0.822 58.985 58.100 0.106 0.000 1.840 245 Y CB 0.156 38.678 38.460 0.104 0.000 1.865 245 Y HN 0.967 nan 8.280 nan 0.000 0.440 246 G N -0.407 108.532 108.800 0.233 0.000 2.318 246 G HA2 -0.043 3.917 3.960 0.001 0.000 0.367 246 G HA3 -0.043 3.917 3.960 0.001 0.000 0.367 246 G C -0.212 174.745 174.900 0.094 0.000 1.260 246 G CA -0.345 44.834 45.100 0.133 0.000 1.055 246 G HN 0.659 nan 8.290 nan 0.000 0.484 247 V N -3.459 116.455 119.914 -0.000 0.000 3.398 247 V HA 0.724 4.844 4.120 0.001 0.000 0.298 247 V C 0.534 176.605 176.094 -0.038 0.000 1.496 247 V CA 1.292 63.589 62.300 -0.005 0.000 1.044 247 V CB 0.378 32.025 31.823 -0.293 0.000 0.880 247 V HN 1.922 nan 8.190 nan 0.000 0.443 248 S N 1.194 116.745 115.700 -0.249 0.000 2.570 248 S HA 0.704 5.174 4.470 0.001 0.000 0.286 248 S C -2.300 171.640 174.600 -1.099 0.000 1.099 248 S CA -0.940 56.868 58.200 -0.653 0.000 0.913 248 S CB 2.328 65.263 63.200 -0.442 0.000 1.085 248 S HN 0.165 nan 8.310 nan 0.000 0.480 249 P HA 0.092 nan 4.420 nan 0.000 0.240 249 P C -0.241 176.575 177.300 -0.807 0.000 1.190 249 P CA 0.170 62.246 63.100 -1.707 0.000 0.781 249 P CB -0.236 30.276 31.700 -1.981 0.000 0.931 250 N N -0.368 117.950 118.700 -0.636 0.000 2.381 250 N HA 0.105 4.845 4.740 0.001 0.000 0.254 250 N C -0.473 174.909 175.510 -0.214 0.000 1.264 250 N CA -0.480 52.366 53.050 -0.340 0.000 0.942 250 N CB 0.074 38.371 38.487 -0.318 0.000 1.190 250 N HN -0.067 nan 8.380 nan 0.000 0.495 251 Y N 1.475 121.516 120.300 -0.431 0.000 2.496 251 Y HA -0.006 4.544 4.550 0.001 0.000 0.334 251 Y C -0.094 175.593 175.900 -0.355 0.000 1.080 251 Y CA -0.035 57.708 58.100 -0.594 0.000 1.355 251 Y CB -0.178 37.938 38.460 -0.574 0.000 1.193 251 Y HN 0.643 nan 8.280 nan 0.000 0.523 252 D N 4.453 124.477 120.400 -0.628 0.000 3.478 252 D HA -0.211 4.430 4.640 0.001 0.000 0.219 252 D C -1.114 174.996 176.300 -0.317 0.000 1.143 252 D CA 0.734 54.449 54.000 -0.475 0.000 1.047 252 D CB -0.108 40.542 40.800 -0.249 0.000 0.820 252 D HN 0.496 nan 8.370 nan 0.000 0.393 253 K N 2.818 122.944 120.400 -0.457 0.000 3.123 253 K HA 0.143 4.463 4.320 0.001 0.000 0.209 253 K C 0.741 177.246 176.600 -0.159 0.000 1.132 253 K CA -0.375 55.773 56.287 -0.230 0.000 0.992 253 K CB -0.586 31.783 32.500 -0.218 0.000 0.773 253 K HN 0.498 nan 8.250 nan 0.000 0.458 254 W N 1.488 122.797 121.300 0.015 0.000 2.379 254 W HA -0.045 4.615 4.660 0.000 0.000 0.307 254 W C 1.028 177.583 176.519 0.059 0.000 1.200 254 W CA 0.089 57.459 57.345 0.043 0.000 1.297 254 W CB 0.208 29.668 29.460 0.000 0.000 1.140 254 W HN 0.009 nan 8.180 nan 0.000 0.507 255 E N 1.047 121.394 120.200 0.245 0.000 2.481 255 E HA 0.057 4.407 4.350 0.001 0.000 0.263 255 E C -0.081 176.607 176.600 0.147 0.000 0.992 255 E CA 0.610 57.096 56.400 0.143 0.000 0.938 255 E CB 0.407 30.153 29.700 0.077 0.000 0.933 255 E HN 0.119 nan 8.360 nan 0.000 0.453 256 M N -0.602 119.061 119.600 0.104 0.000 2.664 256 M HA 0.420 4.901 4.480 0.001 0.000 0.279 256 M C -0.487 175.829 176.300 0.027 0.000 1.275 256 M CA -0.746 54.622 55.300 0.114 0.000 0.829 256 M CB 1.379 34.053 32.600 0.123 0.000 1.727 256 M HN 0.117 nan 8.290 nan 0.000 0.459 257 E N 1.047 121.274 120.200 0.044 0.000 2.152 257 E HA 0.221 4.572 4.350 0.001 0.000 0.285 257 E C 0.633 177.203 176.600 -0.051 0.000 1.043 257 E CA -0.169 56.234 56.400 0.003 0.000 0.839 257 E CB 0.850 30.576 29.700 0.043 0.000 1.069 257 E HN 0.760 nan 8.360 nan 0.000 0.399 258 R N 2.556 123.003 120.500 -0.088 0.000 2.170 258 R HA -0.168 4.172 4.340 0.001 0.000 0.242 258 R C 1.695 177.973 176.300 -0.037 0.000 1.145 258 R CA 2.188 58.222 56.100 -0.109 0.000 0.984 258 R CB -0.228 29.919 30.300 -0.255 0.000 0.869 258 R HN 0.598 nan 8.270 nan 0.000 0.455 259 T N -2.288 112.252 114.554 -0.025 0.000 3.035 259 T HA -0.045 4.306 4.350 0.001 0.000 0.268 259 T C 1.029 175.744 174.700 0.025 0.000 1.109 259 T CA 1.050 63.151 62.100 0.002 0.000 1.119 259 T CB -0.032 68.838 68.868 0.004 0.000 0.900 259 T HN 0.182 nan 8.240 nan 0.000 0.503 260 D N 0.781 121.197 120.400 0.026 0.000 2.349 260 D HA 0.163 4.804 4.640 0.001 0.000 0.224 260 D C 0.121 176.437 176.300 0.027 0.000 1.029 260 D CA 0.189 54.237 54.000 0.081 0.000 0.879 260 D CB 0.206 41.124 40.800 0.198 0.000 0.906 260 D HN 0.407 nan 8.370 nan 0.000 0.528 261 I N 1.110 121.662 120.570 -0.029 0.000 2.378 261 I HA 0.143 4.313 4.170 0.001 0.000 0.291 261 I C 0.234 176.364 176.117 0.022 0.000 0.992 261 I CA -0.211 61.068 61.300 -0.034 0.000 1.154 261 I CB 1.698 39.671 38.000 -0.044 0.000 1.315 261 I HN -0.382 nan 8.210 nan 0.000 0.448 262 T N 7.032 121.599 114.554 0.020 0.000 2.743 262 T HA 0.438 4.788 4.350 0.001 0.000 0.292 262 T C 0.403 175.093 174.700 -0.017 0.000 0.972 262 T CA -0.557 61.551 62.100 0.013 0.000 0.967 262 T CB 0.766 69.650 68.868 0.026 0.000 0.926 262 T HN 0.257 nan 8.240 nan 0.000 0.459 263 M N 3.697 123.272 119.600 -0.041 0.000 2.211 263 M HA 0.403 4.883 4.480 0.001 0.000 0.356 263 M C 0.554 176.839 176.300 -0.025 0.000 1.216 263 M CA 0.022 55.273 55.300 -0.081 0.000 1.134 263 M CB 0.922 33.409 32.600 -0.189 0.000 1.564 263 M HN 0.555 nan 8.290 nan 0.000 0.463 264 K N 0.400 120.819 120.400 0.033 0.000 1.932 264 K HA 0.377 4.697 4.320 0.001 0.000 0.262 264 K C -0.008 176.717 176.600 0.207 0.000 0.987 264 K CA -0.836 55.505 56.287 0.090 0.000 1.217 264 K CB 0.348 32.883 32.500 0.057 0.000 2.659 264 K HN 0.557 nan 8.250 nan 0.000 0.982 265 H N 2.214 121.354 119.070 0.117 0.000 2.615 265 H HA 0.054 4.610 4.556 0.000 0.000 0.363 265 H C -0.416 174.982 175.328 0.115 0.000 1.148 265 H CA 0.525 56.657 56.048 0.140 0.000 1.401 265 H CB 1.135 30.937 29.762 0.066 0.000 1.461 265 H HN 0.281 nan 8.280 nan 0.000 0.588 266 K N 3.256 123.463 120.400 -0.322 0.000 2.355 266 K HA 0.149 4.469 4.320 0.001 0.000 0.270 266 K C -0.696 175.837 176.600 -0.112 0.000 1.003 266 K CA -0.276 55.667 56.287 -0.573 0.000 0.957 266 K CB 0.426 32.509 32.500 -0.694 0.000 0.939 266 K HN 0.430 nan 8.250 nan 0.000 0.482 267 L N 2.338 123.490 121.223 -0.119 0.000 2.325 267 L HA 0.362 4.702 4.340 0.001 0.000 0.278 267 L C 0.976 177.931 176.870 0.141 0.000 1.023 267 L CA -0.152 54.733 54.840 0.075 0.000 0.811 267 L CB 1.753 43.877 42.059 0.108 0.000 1.249 267 L HN 1.081 nan 8.230 nan 0.000 0.431 268 G N 1.447 110.366 108.800 0.199 0.000 2.153 268 G HA2 -0.190 3.770 3.960 0.001 0.000 0.252 268 G HA3 -0.190 3.770 3.960 0.001 0.000 0.252 268 G C 0.887 175.824 174.900 0.061 0.000 0.994 268 G CA 0.452 45.693 45.100 0.234 0.000 0.698 268 G HN 1.400 nan 8.290 nan 0.000 0.521 269 G N -1.027 107.804 108.800 0.051 0.000 2.258 269 G HA2 0.235 4.196 3.960 0.001 0.000 0.274 269 G HA3 0.235 4.196 3.960 0.001 0.000 0.274 269 G C 1.959 176.834 174.900 -0.041 0.000 1.021 269 G CA 1.041 46.149 45.100 0.012 0.000 0.798 269 G HN 2.620 nan 8.290 nan 0.000 0.507 270 G N -1.110 107.651 108.800 -0.065 0.000 2.195 270 G HA2 -0.272 3.688 3.960 0.001 0.000 0.246 270 G HA3 -0.272 3.688 3.960 0.001 0.000 0.246 270 G C 1.193 176.006 174.900 -0.144 0.000 0.984 270 G CA 1.219 46.263 45.100 -0.094 0.000 0.633 270 G HN 1.825 nan 8.290 nan 0.000 0.525 271 Q N -0.757 118.895 119.800 -0.247 0.000 2.437 271 Q HA 0.078 4.419 4.340 0.001 0.000 0.210 271 Q C 1.646 177.311 176.000 -0.559 0.000 0.972 271 Q CA 1.469 57.018 55.803 -0.424 0.000 0.903 271 Q CB -0.250 28.142 28.738 -0.577 0.000 0.967 271 Q HN 0.670 nan 8.270 nan 0.000 0.486 272 Y N 0.243 120.466 120.300 -0.128 0.000 2.531 272 Y HA 0.405 4.955 4.550 0.000 0.000 0.249 272 Y C 1.237 177.014 175.900 -0.205 0.000 1.168 272 Y CA -0.114 57.856 58.100 -0.216 0.000 1.226 272 Y CB 1.113 39.475 38.460 -0.163 0.000 1.177 272 Y HN 0.327 nan 8.280 nan 0.000 0.527 273 G N 0.732 109.497 108.800 -0.058 0.000 2.527 273 G HA2 -0.235 3.726 3.960 0.001 0.000 0.227 273 G HA3 -0.235 3.726 3.960 0.001 0.000 0.227 273 G C -0.399 174.484 174.900 -0.028 0.000 1.291 273 G CA -0.688 44.388 45.100 -0.040 0.000 0.904 273 G HN 0.113 nan 8.290 nan 0.000 0.577 274 E N 0.739 120.958 120.200 0.031 0.000 2.222 274 E HA 0.386 4.736 4.350 0.001 0.000 0.312 274 E C 0.021 176.700 176.600 0.132 0.000 1.263 274 E CA 0.159 56.624 56.400 0.107 0.000 1.356 274 E CB 0.298 30.119 29.700 0.202 0.000 1.180 274 E HN 0.494 nan 8.360 nan 0.000 0.494 275 V N 2.791 122.649 119.914 -0.095 0.000 2.448 275 V HA 0.324 4.444 4.120 0.001 0.000 0.295 275 V C -0.726 175.209 176.094 -0.266 0.000 1.025 275 V CA -0.752 61.528 62.300 -0.034 0.000 0.859 275 V CB 0.689 32.512 31.823 0.000 0.000 0.988 275 V HN 0.275 nan 8.190 nan 0.000 0.431 276 Y N 1.606 121.898 120.300 -0.013 0.000 2.485 276 Y HA 0.486 5.037 4.550 0.000 0.000 0.345 276 Y C 0.308 176.199 175.900 -0.013 0.000 0.998 276 Y CA -1.116 56.972 58.100 -0.021 0.000 1.059 276 Y CB 1.524 39.937 38.460 -0.079 0.000 1.234 276 Y HN 0.668 nan 8.280 nan 0.000 0.461 277 E N 0.951 121.227 120.200 0.127 0.000 2.354 277 E HA 0.568 4.918 4.350 0.001 0.000 0.269 277 E C -0.358 176.219 176.600 -0.038 0.000 1.036 277 E CA -0.178 56.204 56.400 -0.030 0.000 0.876 277 E CB 0.714 30.328 29.700 -0.143 0.000 1.009 277 E HN 0.882 nan 8.360 nan 0.000 0.416 278 G N 1.319 110.056 108.800 -0.106 0.000 2.695 278 G HA2 0.495 4.455 3.960 0.001 0.000 0.290 278 G HA3 0.495 4.455 3.960 0.001 0.000 0.290 278 G C -1.541 173.329 174.900 -0.050 0.000 1.410 278 G CA -0.598 44.464 45.100 -0.063 0.000 0.844 278 G HN 0.457 nan 8.290 nan 0.000 0.478 279 V N 0.468 120.388 119.914 0.010 0.000 2.540 279 V HA 0.460 4.580 4.120 0.001 0.000 0.302 279 V C -1.043 175.167 176.094 0.193 0.000 1.035 279 V CA -0.800 61.548 62.300 0.081 0.000 0.873 279 V CB 2.095 33.955 31.823 0.061 0.000 0.992 279 V HN 0.711 nan 8.190 nan 0.000 0.428 280 W N 5.559 126.908 121.300 0.081 0.000 2.292 280 W HA 0.337 4.997 4.660 0.000 0.000 0.352 280 W C 1.172 177.807 176.519 0.193 0.000 0.962 280 W CA -1.260 56.184 57.345 0.164 0.000 1.496 280 W CB 0.604 30.193 29.460 0.214 0.000 1.381 280 W HN 0.855 nan 8.180 nan 0.000 0.363 281 K N 4.054 124.724 120.400 0.449 0.000 2.044 281 K HA -0.324 3.996 4.320 0.001 0.000 0.224 281 K C 1.750 178.470 176.600 0.200 0.000 1.056 281 K CA 2.967 59.411 56.287 0.261 0.000 0.962 281 K CB -0.056 32.555 32.500 0.184 0.000 0.730 281 K HN 0.338 nan 8.250 nan 0.000 0.453 282 K N -1.046 119.472 120.400 0.196 0.000 2.259 282 K HA -0.221 4.099 4.320 0.001 0.000 0.206 282 K C 1.238 177.507 176.600 -0.552 0.000 1.044 282 K CA 2.157 58.286 56.287 -0.264 0.000 0.931 282 K CB -0.253 31.934 32.500 -0.521 0.000 0.726 282 K HN 0.471 nan 8.250 nan 0.000 0.467 283 Y N -1.764 118.470 120.300 -0.111 0.000 2.610 283 Y HA 0.253 4.803 4.550 0.001 0.000 0.254 283 Y C 0.495 176.369 175.900 -0.042 0.000 1.110 283 Y CA -0.706 57.315 58.100 -0.132 0.000 1.238 283 Y CB 0.448 38.763 38.460 -0.243 0.000 1.322 283 Y HN -0.151 nan 8.280 nan 0.000 0.547 284 S N 0.628 116.432 115.700 0.173 0.000 3.402 284 S HA -0.228 4.242 4.470 0.001 0.000 0.329 284 S C 0.017 174.695 174.600 0.129 0.000 1.194 284 S CA 0.575 58.852 58.200 0.127 0.000 0.951 284 S CB -1.511 61.730 63.200 0.068 0.000 0.975 284 S HN 0.405 nan 8.310 nan 0.000 0.574 285 L N 2.527 123.862 121.223 0.186 0.000 2.319 285 L HA 0.419 4.759 4.340 0.001 0.000 0.280 285 L C 0.506 177.456 176.870 0.134 0.000 1.099 285 L CA 0.565 55.483 54.840 0.129 0.000 0.828 285 L CB 0.793 42.882 42.059 0.050 0.000 1.150 285 L HN 0.131 nan 8.230 nan 0.000 0.442 286 T N 5.336 119.930 114.554 0.067 0.000 2.884 286 T HA 0.546 4.896 4.350 0.001 0.000 0.298 286 T C -0.125 174.601 174.700 0.044 0.000 0.998 286 T CA 0.037 62.121 62.100 -0.025 0.000 1.124 286 T CB 0.759 69.537 68.868 -0.149 0.000 0.931 286 T HN 0.621 nan 8.240 nan 0.000 0.531 287 V N -0.376 119.542 119.914 0.007 0.000 3.182 287 V HA 1.023 5.143 4.120 0.001 0.000 0.308 287 V C -0.792 175.367 176.094 0.108 0.000 1.240 287 V CA -1.621 60.757 62.300 0.131 0.000 1.063 287 V CB 1.629 33.556 31.823 0.175 0.000 1.076 287 V HN 0.974 nan 8.190 nan 0.000 0.446 288 A N 0.569 123.503 122.820 0.190 0.000 2.330 288 A HA 0.910 5.230 4.320 0.001 0.000 0.327 288 A C -0.833 176.797 177.584 0.076 0.000 1.155 288 A CA -0.692 51.451 52.037 0.177 0.000 0.803 288 A CB 1.582 20.708 19.000 0.210 0.000 1.208 288 A HN 1.472 nan 8.150 nan 0.000 0.477 289 V N 2.417 122.354 119.914 0.038 0.000 2.577 289 V HA 0.420 4.540 4.120 0.001 0.000 0.303 289 V C -0.116 175.993 176.094 0.026 0.000 1.042 289 V CA -0.710 61.561 62.300 -0.048 0.000 0.872 289 V CB 1.735 33.397 31.823 -0.269 0.000 0.998 289 V HN 0.925 nan 8.190 nan 0.000 0.423 290 K N 2.410 122.857 120.400 0.079 0.000 2.240 290 K HA 0.604 4.925 4.320 0.001 0.000 0.271 290 K C -0.528 176.263 176.600 0.319 0.000 1.018 290 K CA -0.169 56.240 56.287 0.203 0.000 0.874 290 K CB 1.521 34.145 32.500 0.208 0.000 1.098 290 K HN 0.764 nan 8.250 nan 0.000 0.458 291 T N 3.953 118.658 114.554 0.251 0.000 2.823 291 T HA 0.291 4.642 4.350 0.001 0.000 0.279 291 T C -0.917 173.787 174.700 0.006 0.000 0.998 291 T CA -0.833 61.388 62.100 0.202 0.000 0.994 291 T CB 0.739 69.660 68.868 0.088 0.000 0.960 291 T HN 0.482 nan 8.240 nan 0.000 0.448 292 L N 6.005 127.028 121.223 -0.333 0.000 2.399 292 L HA 0.426 4.766 4.340 0.001 0.000 0.257 292 L C 0.293 176.976 176.870 -0.310 0.000 1.236 292 L CA 0.104 54.591 54.840 -0.589 0.000 1.144 292 L CB -0.854 40.508 42.059 -1.161 0.000 1.379 292 L HN 0.579 nan 8.230 nan 0.000 0.414 293 K N 2.465 122.769 120.400 -0.159 0.000 2.258 293 K HA 0.156 4.476 4.320 0.001 0.000 0.264 293 K C 0.135 176.654 176.600 -0.135 0.000 1.007 293 K CA -0.370 55.847 56.287 -0.117 0.000 0.941 293 K CB 0.691 33.162 32.500 -0.049 0.000 0.966 293 K HN 0.590 nan 8.250 nan 0.000 0.480 294 E N 1.876 122.000 120.200 -0.128 0.000 2.437 294 E HA -0.125 4.226 4.350 0.001 0.000 0.263 294 E C -0.672 175.878 176.600 -0.082 0.000 1.030 294 E CA -0.305 56.024 56.400 -0.118 0.000 0.934 294 E CB 0.112 29.750 29.700 -0.104 0.000 0.943 294 E HN 0.449 nan 8.360 nan 0.000 0.444 295 D N 1.203 121.558 120.400 -0.075 0.000 2.699 295 D HA -0.172 4.468 4.640 0.001 0.000 0.239 295 D C 0.281 176.557 176.300 -0.041 0.000 1.136 295 D CA 1.567 55.536 54.000 -0.051 0.000 0.668 295 D CB -1.526 39.249 40.800 -0.042 0.000 1.060 295 D HN 0.770 nan 8.370 nan 0.000 0.429 296 T N -3.940 110.586 114.554 -0.046 0.000 2.232 296 T HA 0.353 4.703 4.350 0.001 0.000 0.164 296 T C 0.788 175.479 174.700 -0.014 0.000 0.764 296 T CA -0.467 61.617 62.100 -0.027 0.000 0.938 296 T CB 0.717 69.570 68.868 -0.025 0.000 2.863 296 T HN 0.092 nan 8.240 nan 0.000 0.384 297 M N 2.818 122.416 119.600 -0.004 0.000 2.241 297 M HA 0.311 4.791 4.480 0.001 0.000 0.335 297 M C -0.250 176.065 176.300 0.025 0.000 1.122 297 M CA -0.658 54.665 55.300 0.038 0.000 1.164 297 M CB 0.920 33.592 32.600 0.120 0.000 1.459 297 M HN 0.519 nan 8.290 nan 0.000 0.461 298 E N 3.318 123.547 120.200 0.048 0.000 2.338 298 E HA 0.071 4.422 4.350 0.001 0.000 0.272 298 E C 0.770 177.422 176.600 0.086 0.000 1.029 298 E CA -0.336 56.088 56.400 0.040 0.000 0.872 298 E CB 0.684 30.408 29.700 0.039 0.000 1.015 298 E HN 0.633 nan 8.360 nan 0.000 0.417 299 V N 2.551 122.499 119.914 0.056 0.000 2.252 299 V HA -0.330 3.790 4.120 0.001 0.000 0.249 299 V C 2.036 178.246 176.094 0.194 0.000 1.056 299 V CA 2.354 64.723 62.300 0.115 0.000 1.022 299 V CB -0.671 31.183 31.823 0.052 0.000 0.641 299 V HN 0.601 nan 8.190 nan 0.000 0.445 300 E N -0.216 120.060 120.200 0.127 0.000 2.118 300 E HA -0.227 4.124 4.350 0.001 0.000 0.195 300 E C 2.145 178.816 176.600 0.119 0.000 0.992 300 E CA 1.423 57.891 56.400 0.114 0.000 0.804 300 E CB -0.327 29.417 29.700 0.073 0.000 0.741 300 E HN 0.654 nan 8.360 nan 0.000 0.458 301 E N -0.700 119.575 120.200 0.125 0.000 2.072 301 E HA -0.112 4.238 4.350 0.001 0.000 0.191 301 E C 1.677 178.365 176.600 0.145 0.000 0.985 301 E CA 0.698 57.166 56.400 0.114 0.000 0.801 301 E CB -0.345 29.419 29.700 0.106 0.000 0.750 301 E HN 0.283 nan 8.360 nan 0.000 0.452 302 F N -0.014 119.971 119.950 0.059 0.000 2.102 302 F HA -0.164 4.363 4.527 0.001 0.000 0.298 302 F C 1.683 177.524 175.800 0.068 0.000 1.105 302 F CA 1.084 59.130 58.000 0.076 0.000 1.239 302 F CB -0.185 38.888 39.000 0.121 0.000 0.991 302 F HN 0.067 nan 8.300 nan 0.000 0.474 303 L N 0.497 121.872 121.223 0.252 0.000 2.093 303 L HA -0.178 4.163 4.340 0.001 0.000 0.208 303 L C 2.280 179.140 176.870 -0.017 0.000 1.085 303 L CA 1.651 56.553 54.840 0.103 0.000 0.755 303 L CB -1.002 41.145 42.059 0.147 0.000 0.904 303 L HN 0.039 nan 8.230 nan 0.000 0.435 304 K N -0.654 119.749 120.400 0.006 0.000 2.097 304 K HA -0.217 4.104 4.320 0.001 0.000 0.206 304 K C 2.077 178.633 176.600 -0.074 0.000 1.049 304 K CA 1.322 57.598 56.287 -0.019 0.000 0.933 304 K CB -0.040 32.466 32.500 0.010 0.000 0.717 304 K HN 0.350 nan 8.250 nan 0.000 0.442 305 E N 0.593 120.725 120.200 -0.113 0.000 2.077 305 E HA -0.195 4.156 4.350 0.001 0.000 0.193 305 E C 1.893 178.350 176.600 -0.238 0.000 0.989 305 E CA 1.076 57.374 56.400 -0.171 0.000 0.800 305 E CB -0.023 29.555 29.700 -0.203 0.000 0.746 305 E HN 0.311 nan 8.360 nan 0.000 0.452 306 A N 1.214 123.855 122.820 -0.299 0.000 1.902 306 A HA -0.135 4.185 4.320 0.001 0.000 0.217 306 A C 2.408 179.824 177.584 -0.280 0.000 1.181 306 A CA 1.901 53.750 52.037 -0.314 0.000 0.623 306 A CB -0.887 17.938 19.000 -0.293 0.000 0.818 306 A HN 0.425 nan 8.150 nan 0.000 0.443 307 A N -0.554 122.150 122.820 -0.194 0.000 1.865 307 A HA -0.051 4.270 4.320 0.001 0.000 0.217 307 A C 2.256 179.752 177.584 -0.146 0.000 1.191 307 A CA 1.941 53.886 52.037 -0.153 0.000 0.623 307 A CB -1.099 17.855 19.000 -0.075 0.000 0.826 307 A HN 0.423 nan 8.150 nan 0.000 0.444 308 V N -0.072 119.771 119.914 -0.119 0.000 2.287 308 V HA -0.335 3.786 4.120 0.001 0.000 0.248 308 V C 2.643 178.610 176.094 -0.212 0.000 1.053 308 V CA 2.344 64.580 62.300 -0.107 0.000 1.027 308 V CB -0.690 31.063 31.823 -0.116 0.000 0.646 308 V HN 0.586 nan 8.190 nan 0.000 0.447 309 M N -0.901 118.542 119.600 -0.262 0.000 2.358 309 M HA -0.192 4.289 4.480 0.001 0.000 0.264 309 M C 2.122 178.207 176.300 -0.359 0.000 1.064 309 M CA 1.567 56.690 55.300 -0.296 0.000 1.093 309 M CB -0.412 32.015 32.600 -0.288 0.000 1.401 309 M HN 0.268 nan 8.290 nan 0.000 0.440 310 K N -0.089 120.047 120.400 -0.440 0.000 2.211 310 K HA -0.107 4.213 4.320 0.001 0.000 0.203 310 K C 1.638 178.151 176.600 -0.145 0.000 1.050 310 K CA 0.774 56.732 56.287 -0.548 0.000 0.945 310 K CB 0.072 32.226 32.500 -0.576 0.000 0.732 310 K HN 0.277 nan 8.250 nan 0.000 0.451 311 E N 0.339 120.483 120.200 -0.093 0.000 2.385 311 E HA 0.013 4.364 4.350 0.001 0.000 0.194 311 E C 0.474 177.092 176.600 0.030 0.000 1.013 311 E CA 0.310 56.722 56.400 0.020 0.000 0.866 311 E CB 0.299 30.053 29.700 0.090 0.000 0.832 311 E HN 0.170 nan 8.360 nan 0.000 0.500 312 I N 1.983 122.516 120.570 -0.062 0.000 2.452 312 I HA 0.092 4.263 4.170 0.001 0.000 0.287 312 I C 0.223 176.289 176.117 -0.085 0.000 1.079 312 I CA 0.191 61.471 61.300 -0.034 0.000 1.387 312 I CB 0.170 38.072 38.000 -0.163 0.000 1.404 312 I HN -0.257 nan 8.210 nan 0.000 0.522 313 K N 6.056 126.359 120.400 -0.162 0.000 2.723 313 K HA 0.366 4.686 4.320 0.001 0.000 0.229 313 K C -0.873 175.300 176.600 -0.713 0.000 1.022 313 K CA -0.486 55.467 56.287 -0.556 0.000 1.045 313 K CB 1.408 33.502 32.500 -0.676 0.000 1.227 313 K HN 0.543 nan 8.250 nan 0.000 0.516 314 H N 1.940 120.660 119.070 -0.583 0.000 3.038 314 H HA 0.181 4.737 4.556 0.001 0.000 0.362 314 H C -2.528 172.727 175.328 -0.122 0.000 1.167 314 H CA -1.730 54.000 56.048 -0.531 0.000 1.197 314 H CB 2.513 31.682 29.762 -0.987 0.000 1.840 314 H HN 0.113 nan 8.280 nan 0.000 0.540 315 P HA -0.042 nan 4.420 nan 0.000 0.221 315 P C -0.053 177.220 177.300 -0.046 0.000 1.145 315 P CA 1.283 64.282 63.100 -0.168 0.000 0.795 315 P CB 0.281 31.823 31.700 -0.263 0.000 0.775 316 N N -1.398 117.391 118.700 0.149 0.000 2.275 316 N HA 0.223 4.963 4.740 0.001 0.000 0.236 316 N C -0.449 175.072 175.510 0.019 0.000 1.154 316 N CA -0.070 53.034 53.050 0.091 0.000 0.866 316 N CB 0.207 38.745 38.487 0.085 0.000 1.093 316 N HN 0.073 nan 8.380 nan 0.000 0.515 317 L N 0.877 122.106 121.223 0.011 0.000 2.381 317 L HA 0.453 4.794 4.340 0.001 0.000 0.274 317 L C -0.248 176.595 176.870 -0.045 0.000 0.988 317 L CA -1.174 53.626 54.840 -0.066 0.000 0.824 317 L CB 2.245 44.233 42.059 -0.119 0.000 1.263 317 L HN -0.137 nan 8.230 nan 0.000 0.410 318 V N 2.656 122.533 119.914 -0.062 0.000 2.625 318 V HA -0.144 3.977 4.120 0.001 0.000 0.305 318 V C 0.373 176.458 176.094 -0.014 0.000 1.055 318 V CA 0.378 62.654 62.300 -0.039 0.000 1.209 318 V CB 0.547 32.340 31.823 -0.050 0.000 0.877 318 V HN 0.720 nan 8.190 nan 0.000 0.489 319 Q N 4.213 124.033 119.800 0.034 0.000 2.256 319 Q HA 0.439 4.779 4.340 0.001 0.000 0.254 319 Q C -0.778 175.282 176.000 0.100 0.000 0.916 319 Q CA -0.464 55.394 55.803 0.091 0.000 0.932 319 Q CB 1.434 30.267 28.738 0.158 0.000 1.207 319 Q HN 0.652 nan 8.270 nan 0.000 0.426 320 L N 4.719 125.987 121.223 0.076 0.000 2.426 320 L HA 0.180 4.520 4.340 0.001 0.000 0.271 320 L C -0.331 176.741 176.870 0.338 0.000 1.169 320 L CA 0.754 55.627 54.840 0.055 0.000 0.836 320 L CB 0.440 42.339 42.059 -0.267 0.000 1.112 320 L HN 0.980 nan 8.230 nan 0.000 0.465 321 L N 3.677 125.125 121.223 0.375 0.000 2.685 321 L HA 0.529 4.869 4.340 0.001 0.000 0.235 321 L C 0.775 178.056 176.870 0.685 0.000 1.070 321 L CA 0.314 55.469 54.840 0.524 0.000 0.888 321 L CB 0.319 42.637 42.059 0.432 0.000 1.203 321 L HN 0.810 nan 8.230 nan 0.000 0.499 322 G N -0.007 109.109 108.800 0.527 0.000 2.451 322 G HA2 0.478 4.438 3.960 0.001 0.000 0.292 322 G HA3 0.478 4.438 3.960 0.001 0.000 0.292 322 G C -1.873 173.154 174.900 0.212 0.000 1.427 322 G CA -0.000 45.386 45.100 0.477 0.000 0.792 322 G HN -0.134 nan 8.290 nan 0.000 0.498 323 V N -3.790 116.230 119.914 0.176 0.000 3.114 323 V HA 0.831 4.951 4.120 0.001 0.000 0.308 323 V C -0.669 175.463 176.094 0.063 0.000 1.168 323 V CA -1.123 61.229 62.300 0.086 0.000 1.015 323 V CB 1.596 33.423 31.823 0.007 0.000 1.050 323 V HN 1.216 nan 8.190 nan 0.000 0.433 324 C N 2.287 121.621 119.300 0.055 0.000 2.653 324 C HA 0.661 5.122 4.460 0.001 0.000 0.291 324 C C 1.138 176.066 174.990 -0.104 0.000 1.064 324 C CA 0.378 59.377 59.018 -0.031 0.000 1.469 324 C CB 0.043 27.717 27.740 -0.110 0.000 1.861 324 C HN 1.117 nan 8.230 nan 0.000 0.434 325 T N -1.551 112.864 114.554 -0.232 0.000 3.132 325 T HA 0.097 4.448 4.350 0.001 0.000 0.274 325 T C 1.498 175.927 174.700 -0.452 0.000 1.011 325 T CA -0.160 61.555 62.100 -0.641 0.000 0.899 325 T CB -0.050 68.464 68.868 -0.590 0.000 1.089 325 T HN 0.425 nan 8.240 nan 0.000 0.543 326 R N 1.706 122.109 120.500 -0.162 0.000 2.148 326 R HA 0.206 4.546 4.340 0.001 0.000 0.223 326 R C -0.108 176.226 176.300 0.057 0.000 1.088 326 R CA 0.858 56.927 56.100 -0.051 0.000 0.985 326 R CB -0.302 29.980 30.300 -0.030 0.000 0.880 326 R HN 0.693 nan 8.270 nan 0.000 0.451 327 E N -1.915 118.377 120.200 0.154 0.000 2.388 327 E HA 0.367 4.717 4.350 0.001 0.000 0.281 327 E C -3.012 173.749 176.600 0.268 0.000 1.046 327 E CA -2.263 54.278 56.400 0.235 0.000 0.825 327 E CB 0.395 30.134 29.700 0.064 0.000 1.243 327 E HN -0.258 nan 8.360 nan 0.000 0.438 328 P HA 0.228 nan 4.420 nan 0.000 0.269 328 P C -2.375 174.849 177.300 -0.128 0.000 1.209 328 P CA -0.863 62.126 63.100 -0.185 0.000 0.776 328 P CB -0.113 31.393 31.700 -0.324 0.000 0.876 329 P HA 0.218 nan 4.420 nan 0.000 0.286 329 P C -0.574 176.708 177.300 -0.030 0.000 1.269 329 P CA -0.123 62.882 63.100 -0.160 0.000 0.787 329 P CB 0.333 31.999 31.700 -0.056 0.000 0.920 330 F N 1.962 121.813 119.950 -0.165 0.000 2.518 330 F HA 0.175 4.702 4.527 0.001 0.000 0.359 330 F C 0.753 176.707 175.800 0.255 0.000 1.118 330 F CA -0.123 57.857 58.000 -0.034 0.000 1.287 330 F CB 0.438 39.425 39.000 -0.021 0.000 1.132 330 F HN 0.233 nan 8.300 nan 0.000 0.587 331 Y N 2.913 123.424 120.300 0.352 0.000 2.485 331 Y HA 0.578 5.128 4.550 0.000 0.000 0.345 331 Y C -0.166 175.891 175.900 0.262 0.000 0.998 331 Y CA -1.342 56.933 58.100 0.292 0.000 1.059 331 Y CB 2.508 41.027 38.460 0.098 0.000 1.234 331 Y HN 0.275 nan 8.280 nan 0.000 0.461 332 I N 4.562 125.334 120.570 0.338 0.000 2.447 332 I HA 0.350 4.520 4.170 0.001 0.000 0.287 332 I C -0.945 175.207 176.117 0.058 0.000 1.023 332 I CA -0.468 60.874 61.300 0.070 0.000 1.083 332 I CB 1.729 39.641 38.000 -0.146 0.000 1.245 332 I HN 0.390 nan 8.210 nan 0.000 0.434 333 I N 5.943 126.544 120.570 0.051 0.000 2.378 333 I HA 0.431 4.601 4.170 0.001 0.000 0.291 333 I C 0.276 176.457 176.117 0.105 0.000 0.992 333 I CA -0.279 61.054 61.300 0.055 0.000 1.154 333 I CB 1.952 39.958 38.000 0.009 0.000 1.315 333 I HN 0.554 nan 8.210 nan 0.000 0.448 334 T N 1.257 115.875 114.554 0.106 0.000 2.888 334 T HA 0.477 4.827 4.350 0.001 0.000 0.288 334 T C -0.348 174.444 174.700 0.153 0.000 1.063 334 T CA -0.991 61.180 62.100 0.119 0.000 1.010 334 T CB 1.541 70.448 68.868 0.065 0.000 1.214 334 T HN 0.633 nan 8.240 nan 0.000 0.533 335 E N 0.307 120.588 120.200 0.134 0.000 2.422 335 E HA 0.310 4.660 4.350 0.001 0.000 0.260 335 E C -1.139 175.567 176.600 0.178 0.000 1.108 335 E CA -0.795 55.689 56.400 0.141 0.000 0.943 335 E CB 0.284 30.035 29.700 0.084 0.000 0.961 335 E HN 0.492 nan 8.360 nan 0.000 0.443 336 F N 2.321 122.290 119.950 0.030 0.000 2.415 336 F HA 0.294 4.822 4.527 0.001 0.000 0.348 336 F C -0.670 175.137 175.800 0.012 0.000 1.119 336 F CA -1.296 56.715 58.000 0.018 0.000 1.069 336 F CB 1.190 40.207 39.000 0.028 0.000 1.124 336 F HN 0.339 nan 8.300 nan 0.000 0.472 337 M N 6.156 125.386 119.600 -0.616 0.000 2.063 337 M HA 0.146 4.626 4.480 0.001 0.000 0.348 337 M C 1.354 177.143 176.300 -0.852 0.000 1.180 337 M CA -0.224 54.781 55.300 -0.491 0.000 1.059 337 M CB 0.604 33.019 32.600 -0.308 0.000 1.544 337 M HN 0.782 nan 8.290 nan 0.000 0.447 338 T N -0.054 114.207 114.554 -0.487 0.000 2.833 338 T HA -0.166 4.185 4.350 0.001 0.000 0.269 338 T C 1.156 175.641 174.700 -0.360 0.000 1.054 338 T CA 1.508 63.379 62.100 -0.381 0.000 1.135 338 T CB -0.349 68.478 68.868 -0.069 0.000 0.869 338 T HN 0.576 nan 8.240 nan 0.000 0.466 339 Y N 2.245 122.438 120.300 -0.178 0.000 2.466 339 Y HA 0.474 5.024 4.550 0.001 0.000 0.272 339 Y C 1.845 177.733 175.900 -0.021 0.000 1.169 339 Y CA -0.287 57.779 58.100 -0.057 0.000 1.285 339 Y CB -0.290 38.134 38.460 -0.059 0.000 1.078 339 Y HN 0.657 nan 8.280 nan 0.000 0.523 340 G N 1.139 109.927 108.800 -0.020 0.000 2.632 340 G HA2 -0.301 3.659 3.960 0.001 0.000 0.224 340 G HA3 -0.301 3.659 3.960 0.001 0.000 0.224 340 G C -0.497 174.432 174.900 0.049 0.000 1.341 340 G CA -0.491 44.620 45.100 0.019 0.000 0.880 340 G HN 0.539 nan 8.290 nan 0.000 0.566 341 N N -0.382 118.389 118.700 0.118 0.000 2.483 341 N HA 0.489 5.229 4.740 0.001 0.000 0.269 341 N C 1.276 176.883 175.510 0.161 0.000 1.209 341 N CA -0.046 53.082 53.050 0.131 0.000 0.969 341 N CB 1.146 39.761 38.487 0.213 0.000 1.173 341 N HN 1.009 nan 8.380 nan 0.000 0.475 342 L N 0.793 122.092 121.223 0.126 0.000 2.083 342 L HA -0.015 4.325 4.340 0.001 0.000 0.209 342 L C 1.715 178.709 176.870 0.207 0.000 1.083 342 L CA 1.323 56.257 54.840 0.156 0.000 0.752 342 L CB -0.967 41.143 42.059 0.085 0.000 0.899 342 L HN 0.784 nan 8.230 nan 0.000 0.433 343 L N -0.459 120.870 121.223 0.177 0.000 1.994 343 L HA -0.215 4.125 4.340 0.001 0.000 0.208 343 L C 2.124 179.102 176.870 0.178 0.000 1.071 343 L CA 2.047 56.994 54.840 0.178 0.000 0.745 343 L CB -1.074 41.086 42.059 0.168 0.000 0.892 343 L HN 0.315 nan 8.230 nan 0.000 0.431 344 D N -1.636 118.871 120.400 0.179 0.000 2.117 344 D HA -0.255 4.386 4.640 0.001 0.000 0.197 344 D C 2.053 178.457 176.300 0.172 0.000 0.987 344 D CA 1.603 55.699 54.000 0.160 0.000 0.829 344 D CB -0.346 40.548 40.800 0.157 0.000 0.961 344 D HN 0.476 nan 8.370 nan 0.000 0.460 345 Y N 1.551 121.922 120.300 0.118 0.000 2.128 345 Y HA -0.183 4.367 4.550 0.001 0.000 0.284 345 Y C 2.283 178.263 175.900 0.134 0.000 1.154 345 Y CA 1.368 59.545 58.100 0.128 0.000 1.149 345 Y CB -0.418 38.115 38.460 0.121 0.000 0.976 345 Y HN -0.095 nan 8.280 nan 0.000 0.505 346 L N -0.348 120.983 121.223 0.180 0.000 2.083 346 L HA -0.213 4.128 4.340 0.001 0.000 0.209 346 L C 2.519 179.458 176.870 0.116 0.000 1.083 346 L CA 1.432 56.364 54.840 0.153 0.000 0.752 346 L CB -0.463 41.702 42.059 0.177 0.000 0.899 346 L HN 0.156 nan 8.230 nan 0.000 0.433 347 R N 0.093 120.648 120.500 0.092 0.000 2.148 347 R HA -0.110 4.231 4.340 0.001 0.000 0.223 347 R C 1.374 177.677 176.300 0.005 0.000 1.088 347 R CA 1.043 57.183 56.100 0.067 0.000 0.985 347 R CB -0.031 30.319 30.300 0.083 0.000 0.880 347 R HN 0.485 nan 8.270 nan 0.000 0.451 348 E N -0.124 120.055 120.200 -0.034 0.000 2.498 348 E HA 0.037 4.388 4.350 0.001 0.000 0.203 348 E C 0.447 176.964 176.600 -0.137 0.000 1.013 348 E CA -0.284 56.079 56.400 -0.062 0.000 0.927 348 E CB 0.443 30.129 29.700 -0.023 0.000 1.012 348 E HN 0.309 nan 8.360 nan 0.000 0.482 349 C N 0.118 119.285 119.300 -0.221 0.000 2.480 349 C HA 0.286 4.747 4.460 0.001 0.000 0.358 349 C C 0.657 175.554 174.990 -0.155 0.000 1.309 349 C CA -1.009 57.844 59.018 -0.276 0.000 2.465 349 C CB 0.097 27.584 27.740 -0.420 0.000 2.379 349 C HN 0.318 nan 8.230 nan 0.000 0.642 350 N N 1.029 119.666 118.700 -0.106 0.000 2.415 350 N HA 0.193 4.934 4.740 0.001 0.000 0.246 350 N C 1.002 176.462 175.510 -0.082 0.000 1.078 350 N CA -0.502 52.502 53.050 -0.077 0.000 0.942 350 N CB 0.381 38.852 38.487 -0.027 0.000 1.140 350 N HN 0.641 nan 8.380 nan 0.000 0.501 351 R N 1.537 121.935 120.500 -0.170 0.000 2.341 351 R HA -0.084 4.257 4.340 0.001 0.000 0.213 351 R C 1.267 177.514 176.300 -0.089 0.000 1.082 351 R CA 0.727 56.694 56.100 -0.222 0.000 1.017 351 R CB 0.140 30.131 30.300 -0.515 0.000 0.860 351 R HN 0.689 nan 8.270 nan 0.000 0.473 352 Q N 0.417 120.180 119.800 -0.061 0.000 2.123 352 Q HA -0.120 4.220 4.340 0.001 0.000 0.196 352 Q C 1.827 177.826 176.000 -0.003 0.000 0.958 352 Q CA 1.145 56.928 55.803 -0.033 0.000 0.841 352 Q CB -0.025 28.693 28.738 -0.033 0.000 0.915 352 Q HN 0.475 nan 8.270 nan 0.000 0.455 353 E N 0.606 120.817 120.200 0.017 0.000 2.072 353 E HA -0.056 4.295 4.350 0.001 0.000 0.190 353 E C 0.045 176.684 176.600 0.065 0.000 0.982 353 E CA 0.549 56.983 56.400 0.056 0.000 0.803 353 E CB 0.514 30.273 29.700 0.097 0.000 0.755 353 E HN 0.006 nan 8.360 nan 0.000 0.453 354 V N 4.569 124.529 119.914 0.077 0.000 2.162 354 V HA 0.047 4.168 4.120 0.001 0.000 0.255 354 V C -0.055 176.117 176.094 0.130 0.000 1.304 354 V CA -0.519 61.830 62.300 0.082 0.000 1.198 354 V CB -0.616 31.319 31.823 0.186 0.000 1.333 354 V HN 0.295 nan 8.190 nan 0.000 0.493 355 N N 3.168 121.901 118.700 0.056 0.000 2.418 355 N HA 0.363 5.104 4.740 0.001 0.000 0.283 355 N C 1.405 176.926 175.510 0.018 0.000 1.267 355 N CA -0.008 53.077 53.050 0.058 0.000 0.975 355 N CB 0.877 39.368 38.487 0.006 0.000 1.167 355 N HN 0.195 nan 8.380 nan 0.000 0.581 356 A N -0.241 122.571 122.820 -0.013 0.000 1.948 356 A HA -0.107 4.213 4.320 0.001 0.000 0.220 356 A C 2.133 179.655 177.584 -0.103 0.000 1.177 356 A CA 1.978 53.969 52.037 -0.077 0.000 0.636 356 A CB -1.153 17.781 19.000 -0.109 0.000 0.815 356 A HN 0.455 nan 8.150 nan 0.000 0.449 357 V N -0.454 119.408 119.914 -0.086 0.000 2.515 357 V HA -0.193 3.928 4.120 0.001 0.000 0.250 357 V C 2.476 178.564 176.094 -0.011 0.000 1.058 357 V CA 1.800 64.063 62.300 -0.062 0.000 1.064 357 V CB -0.546 31.252 31.823 -0.041 0.000 0.675 357 V HN 0.400 nan 8.190 nan 0.000 0.461 358 V N -0.299 119.599 119.914 -0.026 0.000 2.379 358 V HA -0.164 3.956 4.120 0.001 0.000 0.245 358 V C 2.249 178.288 176.094 -0.093 0.000 1.044 358 V CA 1.503 63.751 62.300 -0.087 0.000 1.036 358 V CB -0.467 31.226 31.823 -0.215 0.000 0.664 358 V HN 0.429 nan 8.190 nan 0.000 0.453 359 L N -0.504 120.655 121.223 -0.107 0.000 2.046 359 L HA -0.174 4.166 4.340 0.001 0.000 0.208 359 L C 2.481 179.267 176.870 -0.140 0.000 1.077 359 L CA 1.237 55.989 54.840 -0.147 0.000 0.747 359 L CB -0.639 41.290 42.059 -0.218 0.000 0.896 359 L HN 0.347 nan 8.230 nan 0.000 0.432 360 L N -0.894 120.263 121.223 -0.110 0.000 2.046 360 L HA -0.258 4.082 4.340 0.001 0.000 0.208 360 L C 2.501 179.288 176.870 -0.138 0.000 1.077 360 L CA 1.732 56.493 54.840 -0.130 0.000 0.747 360 L CB -0.783 41.251 42.059 -0.043 0.000 0.896 360 L HN 0.160 nan 8.230 nan 0.000 0.432 361 Y N -0.245 119.936 120.300 -0.198 0.000 2.181 361 Y HA -0.265 4.285 4.550 0.001 0.000 0.288 361 Y C 2.349 178.118 175.900 -0.218 0.000 1.146 361 Y CA 2.254 60.230 58.100 -0.207 0.000 1.164 361 Y CB -0.264 38.023 38.460 -0.289 0.000 0.982 361 Y HN 0.221 nan 8.280 nan 0.000 0.515 362 M N -0.830 118.648 119.600 -0.202 0.000 2.156 362 M HA -0.121 4.359 4.480 0.001 0.000 0.264 362 M C 2.480 178.647 176.300 -0.222 0.000 1.067 362 M CA 1.503 56.655 55.300 -0.248 0.000 1.131 362 M CB -0.565 31.951 32.600 -0.139 0.000 1.368 362 M HN 0.360 nan 8.290 nan 0.000 0.416 363 A N 0.103 122.777 122.820 -0.244 0.000 1.933 363 A HA -0.139 4.181 4.320 0.001 0.000 0.218 363 A C 2.187 179.597 177.584 -0.290 0.000 1.175 363 A CA 2.178 54.070 52.037 -0.241 0.000 0.628 363 A CB -1.115 17.632 19.000 -0.422 0.000 0.814 363 A HN 0.456 nan 8.150 nan 0.000 0.444 364 T N -0.005 114.272 114.554 -0.462 0.000 2.777 364 T HA -0.163 4.187 4.350 0.001 0.000 0.266 364 T C 2.047 176.724 174.700 -0.039 0.000 1.040 364 T CA 1.666 63.601 62.100 -0.275 0.000 1.141 364 T CB -0.247 68.485 68.868 -0.227 0.000 0.868 364 T HN 0.629 nan 8.240 nan 0.000 0.444 365 Q N 0.251 119.948 119.800 -0.171 0.000 2.084 365 Q HA -0.021 4.319 4.340 0.001 0.000 0.202 365 Q C 2.356 178.327 176.000 -0.048 0.000 0.978 365 Q CA 1.245 56.965 55.803 -0.139 0.000 0.844 365 Q CB -0.377 28.183 28.738 -0.296 0.000 0.898 365 Q HN 0.522 nan 8.270 nan 0.000 0.426 366 I N 0.765 121.323 120.570 -0.020 0.000 2.226 366 I HA -0.279 3.892 4.170 0.001 0.000 0.245 366 I C 2.613 178.734 176.117 0.006 0.000 1.100 366 I CA 1.333 62.658 61.300 0.042 0.000 1.374 366 I CB -0.428 37.692 38.000 0.200 0.000 1.057 366 I HN 0.233 nan 8.210 nan 0.000 0.413 367 S N -0.620 115.122 115.700 0.071 0.000 2.402 367 S HA -0.189 4.282 4.470 0.001 0.000 0.229 367 S C 2.127 176.687 174.600 -0.067 0.000 1.021 367 S CA 1.453 59.609 58.200 -0.074 0.000 0.974 367 S CB -0.473 62.819 63.200 0.153 0.000 0.800 367 S HN 0.410 nan 8.310 nan 0.000 0.484 368 S N 1.813 117.514 115.700 0.002 0.000 2.368 368 S HA 0.063 4.533 4.470 0.001 0.000 0.224 368 S C 2.164 176.562 174.600 -0.337 0.000 1.029 368 S CA 1.149 59.252 58.200 -0.162 0.000 0.988 368 S CB -0.943 62.254 63.200 -0.005 0.000 0.838 368 S HN 0.794 nan 8.310 nan 0.000 0.462 369 A N 1.887 124.482 122.820 -0.374 0.000 1.902 369 A HA -0.050 4.270 4.320 0.001 0.000 0.217 369 A C 2.228 179.528 177.584 -0.474 0.000 1.181 369 A CA 1.738 53.404 52.037 -0.618 0.000 0.623 369 A CB -0.582 18.226 19.000 -0.320 0.000 0.818 369 A HN 0.551 nan 8.150 nan 0.000 0.443 370 M N -0.661 118.634 119.600 -0.510 0.000 2.254 370 M HA -0.073 4.407 4.480 0.001 0.000 0.265 370 M C 1.946 177.914 176.300 -0.553 0.000 1.066 370 M CA 1.502 56.328 55.300 -0.791 0.000 1.123 370 M CB -1.320 30.218 32.600 -1.770 0.000 1.388 370 M HN 0.715 nan 8.290 nan 0.000 0.425 371 E N -0.403 119.611 120.200 -0.309 0.000 2.106 371 E HA -0.241 4.109 4.350 0.001 0.000 0.192 371 E C 2.036 178.601 176.600 -0.057 0.000 0.984 371 E CA 1.083 57.440 56.400 -0.072 0.000 0.806 371 E CB -0.156 29.504 29.700 -0.065 0.000 0.750 371 E HN 0.498 nan 8.360 nan 0.000 0.458 372 Y N 1.111 121.247 120.300 -0.273 0.000 2.163 372 Y HA -0.158 4.392 4.550 0.001 0.000 0.288 372 Y C 1.948 177.786 175.900 -0.102 0.000 1.136 372 Y CA 1.611 59.593 58.100 -0.197 0.000 1.147 372 Y CB -0.172 38.062 38.460 -0.377 0.000 0.987 372 Y HN 0.011 nan 8.280 nan 0.000 0.509 373 L N 0.266 121.466 121.223 -0.038 0.000 2.083 373 L HA -0.228 4.113 4.340 0.001 0.000 0.209 373 L C 2.533 179.411 176.870 0.013 0.000 1.083 373 L CA 1.960 56.805 54.840 0.008 0.000 0.752 373 L CB -0.667 41.393 42.059 0.001 0.000 0.899 373 L HN 0.358 nan 8.230 nan 0.000 0.433 374 E N 1.230 121.426 120.200 -0.007 0.000 2.051 374 E HA -0.291 4.059 4.350 0.001 0.000 0.192 374 E C 2.201 178.792 176.600 -0.015 0.000 0.991 374 E CA 1.692 58.123 56.400 0.052 0.000 0.799 374 E CB 0.042 29.829 29.700 0.145 0.000 0.748 374 E HN 0.462 nan 8.360 nan 0.000 0.449 375 K N -0.100 120.259 120.400 -0.069 0.000 2.217 375 K HA -0.064 4.256 4.320 0.001 0.000 0.202 375 K C 1.368 177.874 176.600 -0.157 0.000 1.051 375 K CA 0.839 57.066 56.287 -0.099 0.000 0.952 375 K CB 0.245 32.688 32.500 -0.094 0.000 0.736 375 K HN -0.111 nan 8.250 nan 0.000 0.453 376 K N 1.389 121.660 120.400 -0.215 0.000 2.417 376 K HA 0.080 4.400 4.320 0.001 0.000 0.196 376 K C -0.370 176.073 176.600 -0.262 0.000 1.023 376 K CA -0.002 56.161 56.287 -0.207 0.000 1.122 376 K CB 0.056 32.429 32.500 -0.213 0.000 0.850 376 K HN 0.273 nan 8.250 nan 0.000 0.521 377 N N 0.555 119.129 118.700 -0.209 0.000 2.746 377 N HA -0.192 4.549 4.740 0.001 0.000 0.250 377 N C -0.972 174.258 175.510 -0.467 0.000 1.055 377 N CA 0.906 53.787 53.050 -0.282 0.000 0.699 377 N CB -1.673 36.632 38.487 -0.304 0.000 0.919 377 N HN 0.130 nan 8.380 nan 0.000 0.548 378 F N 0.139 120.041 119.950 -0.079 0.000 2.593 378 F HA 0.708 5.235 4.527 0.001 0.000 0.320 378 F C 0.921 176.694 175.800 -0.044 0.000 1.060 378 F CA -1.126 56.827 58.000 -0.078 0.000 0.940 378 F CB 1.590 40.532 39.000 -0.096 0.000 1.268 378 F HN -0.001 nan 8.300 nan 0.000 0.475 379 I N -1.343 119.323 120.570 0.159 0.000 2.785 379 I HA 0.457 4.627 4.170 0.001 0.000 0.302 379 I C -0.212 175.946 176.117 0.068 0.000 1.069 379 I CA -0.630 60.741 61.300 0.118 0.000 1.045 379 I CB 2.248 40.300 38.000 0.087 0.000 1.236 379 I HN 0.651 nan 8.210 nan 0.000 0.429 380 H N 3.918 122.998 119.070 0.016 0.000 2.379 380 H HA 0.282 4.838 4.556 0.001 0.000 0.308 380 H C 0.809 176.114 175.328 -0.039 0.000 1.047 380 H CA 1.460 57.483 56.048 -0.043 0.000 1.371 380 H CB 0.595 30.327 29.762 -0.050 0.000 1.449 380 H HN 0.809 nan 8.280 nan 0.000 0.564 381 R N -0.978 119.674 120.500 0.254 0.000 3.884 381 R HA -0.136 4.205 4.340 0.001 0.000 0.464 381 R C -0.187 176.266 176.300 0.256 0.000 0.963 381 R CA 1.147 57.349 56.100 0.170 0.000 1.408 381 R CB -1.449 28.760 30.300 -0.152 0.000 2.054 381 R HN 0.359 nan 8.270 nan 0.000 0.522 382 N N 0.575 119.556 118.700 0.467 0.000 2.517 382 N HA 0.088 4.828 4.740 0.001 0.000 0.285 382 N C -0.872 174.714 175.510 0.126 0.000 1.528 382 N CA -0.318 52.924 53.050 0.321 0.000 0.892 382 N CB 0.725 39.420 38.487 0.347 0.000 1.356 382 N HN -0.038 nan 8.380 nan 0.000 0.495 383 L N 2.083 123.300 121.223 -0.011 0.000 2.418 383 L HA 0.471 4.811 4.340 0.001 0.000 0.274 383 L C -0.018 176.841 176.870 -0.019 0.000 1.135 383 L CA 0.202 54.928 54.840 -0.190 0.000 0.870 383 L CB 0.103 42.138 42.059 -0.040 0.000 1.154 383 L HN 0.285 nan 8.230 nan 0.000 0.462 384 A N 3.853 126.620 122.820 -0.088 0.000 2.583 384 A HA 0.657 4.978 4.320 0.001 0.000 0.292 384 A C 0.417 177.994 177.584 -0.011 0.000 1.045 384 A CA -0.150 51.811 52.037 -0.126 0.000 0.672 384 A CB 0.140 18.710 19.000 -0.717 0.000 1.283 384 A HN 1.009 nan 8.150 nan 0.000 0.419 385 A N 0.650 123.534 122.820 0.106 0.000 1.978 385 A HA -0.134 4.187 4.320 0.001 0.000 0.220 385 A C 1.887 179.524 177.584 0.089 0.000 1.170 385 A CA 1.988 54.091 52.037 0.109 0.000 0.636 385 A CB -0.605 18.497 19.000 0.171 0.000 0.810 385 A HN 1.120 nan 8.150 nan 0.000 0.448 386 R N -0.891 119.643 120.500 0.057 0.000 2.285 386 R HA 0.011 4.351 4.340 0.001 0.000 0.213 386 R C 0.173 176.590 176.300 0.195 0.000 1.068 386 R CA 1.389 57.551 56.100 0.103 0.000 1.004 386 R CB -0.358 29.954 30.300 0.020 0.000 0.873 386 R HN 0.319 nan 8.270 nan 0.000 0.467 387 N N 0.091 118.868 118.700 0.128 0.000 2.238 387 N HA 0.128 4.868 4.740 0.001 0.000 0.222 387 N C -1.001 174.536 175.510 0.046 0.000 1.133 387 N CA -0.140 53.017 53.050 0.177 0.000 0.854 387 N CB 0.728 39.311 38.487 0.159 0.000 1.041 387 N HN 0.131 nan 8.380 nan 0.000 0.510 388 C N 1.163 120.483 119.300 0.034 0.000 2.382 388 C HA 0.590 5.051 4.460 0.001 0.000 0.327 388 C C 0.241 175.225 174.990 -0.010 0.000 1.250 388 C CA -0.888 58.121 59.018 -0.014 0.000 1.707 388 C CB 0.726 28.458 27.740 -0.012 0.000 2.272 388 C HN 0.190 nan 8.230 nan 0.000 0.506 389 L N 2.943 124.132 121.223 -0.057 0.000 2.334 389 L HA 0.747 5.087 4.340 0.001 0.000 0.273 389 L C -0.543 176.262 176.870 -0.109 0.000 1.013 389 L CA -0.615 54.176 54.840 -0.082 0.000 0.816 389 L CB 1.490 43.472 42.059 -0.127 0.000 1.278 389 L HN 0.328 nan 8.230 nan 0.000 0.431 390 V N 1.262 121.104 119.914 -0.119 0.000 2.435 390 V HA 0.709 4.829 4.120 0.001 0.000 0.290 390 V C 0.541 176.554 176.094 -0.135 0.000 1.030 390 V CA -0.300 61.884 62.300 -0.194 0.000 0.881 390 V CB 1.359 32.966 31.823 -0.360 0.000 0.983 390 V HN 0.935 nan 8.190 nan 0.000 0.445 391 G N 2.540 111.243 108.800 -0.163 0.000 2.990 391 G HA2 0.575 4.535 3.960 0.001 0.000 0.208 391 G HA3 0.575 4.535 3.960 0.001 0.000 0.208 391 G C -0.705 174.102 174.900 -0.155 0.000 1.334 391 G CA -0.462 44.596 45.100 -0.069 0.000 1.024 391 G HN 0.569 nan 8.290 nan 0.000 0.574 392 E N -0.448 119.717 120.200 -0.059 0.000 2.390 392 E HA 0.206 4.557 4.350 0.001 0.000 0.261 392 E C 0.260 176.756 176.600 -0.174 0.000 1.076 392 E CA 0.326 56.660 56.400 -0.111 0.000 0.905 392 E CB 0.204 29.918 29.700 0.024 0.000 0.984 392 E HN 0.497 nan 8.360 nan 0.000 0.427 393 N N 2.320 120.885 118.700 -0.226 0.000 2.727 393 N HA -0.276 4.464 4.740 0.001 0.000 0.249 393 N C -0.921 174.540 175.510 -0.083 0.000 1.048 393 N CA 0.709 53.709 53.050 -0.084 0.000 0.714 393 N CB -1.471 37.075 38.487 0.099 0.000 0.959 393 N HN 0.682 nan 8.380 nan 0.000 0.544 394 H N -2.916 116.062 119.070 -0.154 0.000 2.861 394 H HA -0.181 4.375 4.556 0.001 0.000 0.289 394 H C -0.113 175.119 175.328 -0.161 0.000 1.176 394 H CA 0.884 56.805 56.048 -0.212 0.000 1.146 394 H CB -1.257 28.389 29.762 -0.194 0.000 1.330 394 H HN 0.415 nan 8.280 nan 0.000 0.379 395 L N 0.844 122.005 121.223 -0.103 0.000 2.416 395 L HA 0.320 4.660 4.340 0.001 0.000 0.272 395 L C 0.457 177.224 176.870 -0.172 0.000 1.161 395 L CA -0.164 54.603 54.840 -0.122 0.000 0.845 395 L CB 0.875 42.881 42.059 -0.088 0.000 1.119 395 L HN -0.005 nan 8.230 nan 0.000 0.464 396 V N 3.791 123.592 119.914 -0.189 0.000 2.656 396 V HA 0.459 4.579 4.120 0.001 0.000 0.307 396 V C -0.309 175.709 176.094 -0.126 0.000 1.051 396 V CA -0.891 61.313 62.300 -0.160 0.000 0.893 396 V CB 2.132 33.858 31.823 -0.161 0.000 0.999 396 V HN 0.672 nan 8.190 nan 0.000 0.426 397 K N 2.914 123.251 120.400 -0.105 0.000 2.427 397 K HA 0.666 4.987 4.320 0.001 0.000 0.252 397 K C -1.313 175.234 176.600 -0.088 0.000 0.931 397 K CA -0.825 55.410 56.287 -0.086 0.000 0.793 397 K CB 2.828 35.282 32.500 -0.076 0.000 1.211 397 K HN 0.394 nan 8.250 nan 0.000 0.426 398 V N 2.257 122.115 119.914 -0.094 0.000 2.530 398 V HA 0.162 4.283 4.120 0.001 0.000 0.282 398 V C 0.407 176.435 176.094 -0.111 0.000 1.048 398 V CA -0.536 61.700 62.300 -0.107 0.000 0.997 398 V CB 1.137 32.880 31.823 -0.133 0.000 0.987 398 V HN 0.910 nan 8.190 nan 0.000 0.477 399 A N 3.794 126.541 122.820 -0.122 0.000 2.488 399 A HA 0.357 4.677 4.320 0.001 0.000 0.249 399 A C 0.450 177.832 177.584 -0.337 0.000 1.083 399 A CA -0.190 51.725 52.037 -0.203 0.000 0.768 399 A CB -0.086 18.793 19.000 -0.202 0.000 1.017 399 A HN 0.990 nan 8.150 nan 0.000 0.496 400 D N 0.930 121.135 120.400 -0.325 0.000 2.670 400 D HA 0.255 4.895 4.640 0.001 0.000 0.255 400 D C -0.235 175.844 176.300 -0.369 0.000 1.286 400 D CA -0.433 53.342 54.000 -0.374 0.000 0.830 400 D CB -0.641 40.001 40.800 -0.264 0.000 1.065 400 D HN 0.315 nan 8.370 nan 0.000 0.486 401 F N -0.880 118.974 119.950 -0.161 0.000 2.380 401 F HA 0.618 5.145 4.527 0.001 0.000 0.325 401 F C 1.617 177.287 175.800 -0.216 0.000 1.136 401 F CA -0.746 57.159 58.000 -0.158 0.000 1.171 401 F CB 0.371 39.324 39.000 -0.079 0.000 1.230 401 F HN 0.030 nan 8.300 nan 0.000 0.554 402 G N 0.874 109.757 108.800 0.138 0.000 2.175 402 G HA2 -0.282 3.678 3.960 0.001 0.000 0.265 402 G HA3 -0.282 3.678 3.960 0.001 0.000 0.265 402 G C 0.044 174.840 174.900 -0.173 0.000 0.979 402 G CA 0.259 45.375 45.100 0.027 0.000 0.663 402 G HN 0.780 nan 8.290 nan 0.000 0.533 403 L N 0.574 121.647 121.223 -0.250 0.000 2.483 403 L HA 0.442 4.782 4.340 0.001 0.000 0.275 403 L C 0.703 177.520 176.870 -0.087 0.000 1.220 403 L CA 0.250 54.953 54.840 -0.228 0.000 0.833 403 L CB 0.909 42.798 42.059 -0.283 0.000 1.102 403 L HN 0.174 nan 8.230 nan 0.000 0.490 404 S N 0.977 116.649 115.700 -0.047 0.000 2.542 404 S HA 0.525 4.995 4.470 0.001 0.000 0.293 404 S C -0.594 174.025 174.600 0.031 0.000 1.089 404 S CA -0.888 57.262 58.200 -0.084 0.000 0.961 404 S CB 1.906 64.880 63.200 -0.378 0.000 1.062 404 S HN 0.441 nan 8.310 nan 0.000 0.483 405 R N 1.202 121.680 120.500 -0.036 0.000 2.308 405 R HA 0.612 4.952 4.340 0.001 0.000 0.305 405 R C -1.184 175.026 176.300 -0.149 0.000 1.053 405 R CA -0.551 55.427 56.100 -0.202 0.000 0.957 405 R CB 0.542 30.717 30.300 -0.209 0.000 1.022 405 R HN 0.359 nan 8.270 nan 0.000 0.461 406 L N 3.331 124.450 121.223 -0.174 0.000 2.614 406 L HA 0.278 4.619 4.340 0.001 0.000 0.264 406 L C -1.089 175.727 176.870 -0.090 0.000 0.940 406 L CA -0.541 54.257 54.840 -0.071 0.000 0.903 406 L CB 1.914 43.974 42.059 0.001 0.000 1.306 406 L HN 0.518 nan 8.230 nan 0.000 0.410 407 M N 3.124 122.682 119.600 -0.069 0.000 2.327 407 M HA 0.071 4.552 4.480 0.001 0.000 0.353 407 M C 0.430 176.709 176.300 -0.035 0.000 1.539 407 M CA 0.639 55.898 55.300 -0.068 0.000 1.039 407 M CB -0.374 32.198 32.600 -0.046 0.000 1.967 407 M HN 0.661 nan 8.290 nan 0.000 0.459 408 T N 3.939 118.469 114.554 -0.040 0.000 2.708 408 T HA 0.294 4.644 4.350 0.001 0.000 0.271 408 T C 1.193 175.894 174.700 0.002 0.000 0.985 408 T CA 1.427 63.523 62.100 -0.007 0.000 1.229 408 T CB -0.156 68.708 68.868 -0.007 0.000 0.934 408 T HN 0.932 nan 8.240 nan 0.000 0.522 409 G N 3.764 112.574 108.800 0.017 0.000 2.480 409 G HA2 -0.132 3.828 3.960 0.001 0.000 0.193 409 G HA3 -0.132 3.828 3.960 0.001 0.000 0.193 409 G C -0.073 174.839 174.900 0.020 0.000 1.004 409 G CA -0.547 44.562 45.100 0.015 0.000 0.696 409 G HN 0.583 nan 8.290 nan 0.000 0.478 410 D N 0.730 121.146 120.400 0.026 0.000 2.423 410 D HA 0.653 5.294 4.640 0.001 0.000 0.255 410 D C -0.014 176.326 176.300 0.067 0.000 1.174 410 D CA 0.489 54.511 54.000 0.037 0.000 1.008 410 D CB 1.284 42.105 40.800 0.034 0.000 1.101 410 D HN 0.051 nan 8.370 nan 0.000 0.516 411 T N 0.440 115.041 114.554 0.079 0.000 2.863 411 T HA 0.280 4.630 4.350 0.001 0.000 0.285 411 T C -0.945 173.862 174.700 0.177 0.000 1.009 411 T CA -0.462 61.708 62.100 0.117 0.000 0.989 411 T CB 0.931 69.837 68.868 0.064 0.000 1.004 411 T HN 0.204 nan 8.240 nan 0.000 0.455 412 Y N 1.968 122.338 120.300 0.116 0.000 2.341 412 Y HA 0.553 5.104 4.550 0.001 0.000 0.337 412 Y C -0.317 175.702 175.900 0.198 0.000 1.014 412 Y CA -0.518 57.661 58.100 0.133 0.000 1.111 412 Y CB 1.188 39.725 38.460 0.130 0.000 1.194 412 Y HN 0.540 nan 8.280 nan 0.000 0.462 413 T N 6.193 120.489 114.554 -0.430 0.000 2.779 413 T HA 0.712 5.062 4.350 0.001 0.000 0.280 413 T C -0.449 173.965 174.700 -0.476 0.000 0.987 413 T CA -0.511 61.434 62.100 -0.258 0.000 0.966 413 T CB 0.919 69.721 68.868 -0.110 0.000 0.933 413 T HN 0.831 nan 8.240 nan 0.000 0.442 414 A N 3.584 126.349 122.820 -0.093 0.000 2.316 414 A HA 0.519 4.840 4.320 0.001 0.000 0.284 414 A C 0.497 178.104 177.584 0.038 0.000 1.115 414 A CA -0.812 51.234 52.037 0.014 0.000 0.812 414 A CB 0.053 19.237 19.000 0.308 0.000 1.064 414 A HN 0.975 nan 8.150 nan 0.000 0.489 415 H N 1.112 120.205 119.070 0.038 0.000 2.928 415 H HA 0.401 4.957 4.556 0.001 0.000 0.338 415 H C 0.484 175.845 175.328 0.056 0.000 1.047 415 H CA 0.064 56.132 56.048 0.033 0.000 1.435 415 H CB 0.033 29.809 29.762 0.024 0.000 1.428 415 H HN 0.738 nan 8.280 nan 0.000 0.590 416 A N 2.196 125.017 122.820 0.002 0.000 2.587 416 A HA 0.353 4.673 4.320 0.001 0.000 0.233 416 A C 1.656 179.171 177.584 -0.114 0.000 1.049 416 A CA 1.038 53.048 52.037 -0.046 0.000 0.754 416 A CB -0.853 18.150 19.000 0.006 0.000 0.977 416 A HN 1.588 nan 8.150 nan 0.000 0.509 417 G N 0.315 109.017 108.800 -0.162 0.000 2.254 417 G HA2 0.176 4.136 3.960 0.001 0.000 0.225 417 G HA3 0.176 4.136 3.960 0.001 0.000 0.225 417 G C 0.714 175.443 174.900 -0.286 0.000 1.003 417 G CA 0.458 45.460 45.100 -0.165 0.000 0.622 417 G HN 2.336 nan 8.290 nan 0.000 0.507 418 A N 1.029 123.573 122.820 -0.460 0.000 2.565 418 A HA 0.479 4.800 4.320 0.001 0.000 0.237 418 A C 0.738 177.870 177.584 -0.753 0.000 1.053 418 A CA 1.314 53.052 52.037 -0.499 0.000 0.755 418 A CB 0.001 18.790 19.000 -0.352 0.000 0.980 418 A HN 1.263 nan 8.150 nan 0.000 0.506 419 K N 2.404 122.508 120.400 -0.494 0.000 2.213 419 K HA 0.657 4.977 4.320 0.001 0.000 0.270 419 K C -1.342 175.068 176.600 -0.316 0.000 1.002 419 K CA -0.329 55.683 56.287 -0.458 0.000 0.868 419 K CB 0.957 33.349 32.500 -0.179 0.000 1.093 419 K HN 0.427 nan 8.250 nan 0.000 0.454 420 F N 1.652 121.658 119.950 0.093 0.000 2.575 420 F HA 0.425 4.952 4.527 0.001 0.000 0.330 420 F C -1.910 173.983 175.800 0.156 0.000 1.056 420 F CA -2.827 55.262 58.000 0.148 0.000 0.964 420 F CB 1.296 40.430 39.000 0.223 0.000 1.258 420 F HN 0.425 nan 8.300 nan 0.000 0.484 421 P HA 0.135 nan 4.420 nan 0.000 0.266 421 P C 0.881 178.463 177.300 0.470 0.000 1.586 421 P CA -0.064 63.272 63.100 0.393 0.000 1.088 421 P CB 0.365 32.262 31.700 0.328 0.000 1.584 422 I N 2.856 123.630 120.570 0.341 0.000 2.143 422 I HA -0.294 3.877 4.170 0.001 0.000 0.245 422 I C 1.934 178.165 176.117 0.190 0.000 1.068 422 I CA 1.835 63.273 61.300 0.232 0.000 1.326 422 I CB -1.188 36.883 38.000 0.118 0.000 1.028 422 I HN 0.354 nan 8.210 nan 0.000 0.412 423 K N -1.019 119.506 120.400 0.207 0.000 2.360 423 K HA -0.160 4.161 4.320 0.001 0.000 0.201 423 K C 1.655 178.262 176.600 0.012 0.000 1.046 423 K CA 1.000 57.284 56.287 -0.005 0.000 0.945 423 K CB -0.057 32.275 32.500 -0.280 0.000 0.750 423 K HN 0.472 nan 8.250 nan 0.000 0.464 424 W N 1.157 122.616 121.300 0.265 0.000 3.127 424 W HA 0.142 4.803 4.660 0.001 0.000 0.344 424 W C -0.193 176.516 176.519 0.316 0.000 1.151 424 W CA -0.241 57.301 57.345 0.329 0.000 1.765 424 W CB 0.523 30.151 29.460 0.279 0.000 1.085 424 W HN -0.198 nan 8.180 nan 0.000 0.596 425 T N 1.462 116.218 114.554 0.337 0.000 2.767 425 T HA 0.510 4.860 4.350 0.001 0.000 0.288 425 T C 0.457 174.924 174.700 -0.388 0.000 0.963 425 T CA -0.273 61.865 62.100 0.063 0.000 1.019 425 T CB 2.019 70.929 68.868 0.070 0.000 0.923 425 T HN -0.015 nan 8.240 nan 0.000 0.468 426 A N 5.145 127.580 122.820 -0.643 0.000 2.425 426 A HA 0.379 4.699 4.320 0.001 0.000 0.242 426 A C -1.187 175.811 177.584 -0.978 0.000 1.077 426 A CA -1.149 50.125 52.037 -1.271 0.000 0.781 426 A CB -0.171 18.393 19.000 -0.727 0.000 1.020 426 A HN 0.522 nan 8.150 nan 0.000 0.494 427 P HA -0.212 nan 4.420 nan 0.000 0.216 427 P C 1.345 178.349 177.300 -0.493 0.000 1.153 427 P CA 1.704 64.332 63.100 -0.787 0.000 0.858 427 P CB 0.074 30.887 31.700 -1.478 0.000 0.789 428 E N -0.394 119.475 120.200 -0.550 0.000 2.268 428 E HA -0.100 4.251 4.350 0.001 0.000 0.195 428 E C 1.525 177.910 176.600 -0.359 0.000 0.995 428 E CA 1.376 57.597 56.400 -0.299 0.000 0.836 428 E CB -1.067 28.506 29.700 -0.212 0.000 0.763 428 E HN 0.187 nan 8.360 nan 0.000 0.491 429 S N 1.288 116.631 115.700 -0.595 0.000 2.377 429 S HA 0.057 4.528 4.470 0.001 0.000 0.223 429 S C 2.184 176.480 174.600 -0.505 0.000 1.030 429 S CA 0.680 58.347 58.200 -0.887 0.000 0.970 429 S CB -0.253 62.081 63.200 -1.443 0.000 0.830 429 S HN 0.178 nan 8.310 nan 0.000 0.473 430 L N 1.152 122.167 121.223 -0.346 0.000 2.046 430 L HA -0.127 4.213 4.340 0.001 0.000 0.208 430 L C 2.741 179.461 176.870 -0.251 0.000 1.077 430 L CA 1.396 56.160 54.840 -0.127 0.000 0.747 430 L CB -0.598 41.409 42.059 -0.087 0.000 0.896 430 L HN 0.346 nan 8.230 nan 0.000 0.432 431 A N -1.315 121.226 122.820 -0.465 0.000 1.935 431 A HA -0.077 4.243 4.320 0.001 0.000 0.214 431 A C 1.547 178.680 177.584 -0.750 0.000 1.178 431 A CA 0.970 52.535 52.037 -0.786 0.000 0.640 431 A CB -0.292 18.037 19.000 -1.119 0.000 0.825 431 A HN 0.479 nan 8.150 nan 0.000 0.447 432 Y N -2.128 118.104 120.300 -0.113 0.000 2.527 432 Y HA 0.229 4.779 4.550 0.001 0.000 0.247 432 Y C 0.590 176.457 175.900 -0.055 0.000 1.138 432 Y CA -0.201 57.852 58.100 -0.077 0.000 1.228 432 Y CB 0.404 38.815 38.460 -0.082 0.000 1.252 432 Y HN 0.331 nan 8.280 nan 0.000 0.531 433 N N 0.770 119.486 118.700 0.026 0.000 2.741 433 N HA -0.203 4.537 4.740 0.001 0.000 0.251 433 N C -0.899 174.629 175.510 0.030 0.000 1.112 433 N CA 0.771 53.890 53.050 0.115 0.000 0.750 433 N CB -0.996 37.650 38.487 0.264 0.000 1.119 433 N HN 0.352 nan 8.380 nan 0.000 0.561 434 K N -0.055 120.249 120.400 -0.160 0.000 2.201 434 K HA 0.470 4.790 4.320 0.001 0.000 0.278 434 K C -0.504 175.892 176.600 -0.341 0.000 1.027 434 K CA -0.130 56.099 56.287 -0.097 0.000 0.909 434 K CB 0.718 33.191 32.500 -0.046 0.000 1.062 434 K HN -0.029 nan 8.250 nan 0.000 0.465 435 F N 0.480 120.466 119.950 0.060 0.000 2.563 435 F HA 0.430 4.957 4.527 0.001 0.000 0.316 435 F C 0.441 176.311 175.800 0.116 0.000 1.076 435 F CA -0.506 57.547 58.000 0.087 0.000 0.921 435 F CB 2.207 41.309 39.000 0.169 0.000 1.209 435 F HN 0.611 nan 8.300 nan 0.000 0.462 436 S N 1.089 116.943 115.700 0.256 0.000 2.672 436 S HA 0.407 4.877 4.470 0.001 0.000 0.271 436 S C 0.045 174.762 174.600 0.195 0.000 1.171 436 S CA -0.694 57.617 58.200 0.187 0.000 0.817 436 S CB 0.952 64.216 63.200 0.107 0.000 1.150 436 S HN 0.546 nan 8.310 nan 0.000 0.478 437 I N 1.367 122.037 120.570 0.168 0.000 2.567 437 I HA 0.018 4.189 4.170 0.001 0.000 0.257 437 I C 1.879 178.115 176.117 0.199 0.000 1.184 437 I CA 1.519 62.953 61.300 0.223 0.000 1.451 437 I CB -0.435 37.684 38.000 0.198 0.000 1.089 437 I HN 0.583 nan 8.210 nan 0.000 0.441 438 K N 0.224 120.692 120.400 0.114 0.000 2.217 438 K HA 0.021 4.341 4.320 0.001 0.000 0.202 438 K C 2.245 178.926 176.600 0.134 0.000 1.051 438 K CA 1.320 57.647 56.287 0.067 0.000 0.952 438 K CB -0.627 31.892 32.500 0.033 0.000 0.736 438 K HN 0.549 nan 8.250 nan 0.000 0.453 439 S N 0.898 116.688 115.700 0.151 0.000 2.436 439 S HA -0.070 4.400 4.470 0.001 0.000 0.228 439 S C 1.422 176.220 174.600 0.330 0.000 1.014 439 S CA 0.757 59.056 58.200 0.165 0.000 0.950 439 S CB -0.039 63.173 63.200 0.020 0.000 0.784 439 S HN 0.101 nan 8.310 nan 0.000 0.504 440 D N 1.726 122.345 120.400 0.364 0.000 2.144 440 D HA 0.009 4.649 4.640 0.001 0.000 0.200 440 D C 2.060 178.699 176.300 0.565 0.000 0.978 440 D CA 0.699 54.989 54.000 0.483 0.000 0.833 440 D CB -0.399 40.719 40.800 0.530 0.000 0.961 440 D HN 0.297 nan 8.370 nan 0.000 0.470 441 V N 0.924 121.002 119.914 0.273 0.000 2.343 441 V HA -0.202 3.918 4.120 0.001 0.000 0.247 441 V C 2.175 178.425 176.094 0.259 0.000 1.051 441 V CA 1.258 63.530 62.300 -0.046 0.000 1.036 441 V CB -0.418 31.196 31.823 -0.348 0.000 0.654 441 V HN 0.398 nan 8.190 nan 0.000 0.451 442 W N 1.171 122.575 121.300 0.173 0.000 2.355 442 W HA -0.231 4.430 4.660 0.000 0.000 0.309 442 W C 2.463 179.224 176.519 0.403 0.000 1.206 442 W CA 2.352 59.870 57.345 0.288 0.000 1.284 442 W CB -0.533 29.047 29.460 0.199 0.000 1.145 442 W HN 0.296 nan 8.180 nan 0.000 0.502 443 A N 0.123 123.369 122.820 0.711 0.000 1.933 443 A HA -0.240 4.080 4.320 0.001 0.000 0.218 443 A C 1.917 179.822 177.584 0.535 0.000 1.175 443 A CA 1.607 54.039 52.037 0.658 0.000 0.628 443 A CB -1.585 17.760 19.000 0.575 0.000 0.814 443 A HN 0.369 nan 8.150 nan 0.000 0.444 444 F N 1.239 121.421 119.950 0.387 0.000 2.171 444 F HA -0.037 4.491 4.527 0.001 0.000 0.300 444 F C 2.240 178.170 175.800 0.215 0.000 1.090 444 F CA 1.338 59.535 58.000 0.328 0.000 1.293 444 F CB -0.582 38.687 39.000 0.448 0.000 1.013 444 F HN 0.203 nan 8.300 nan 0.000 0.486 445 G N -0.163 108.702 108.800 0.108 0.000 2.418 445 G HA2 -0.210 3.750 3.960 0.001 0.000 0.217 445 G HA3 -0.210 3.750 3.960 0.001 0.000 0.217 445 G C 1.711 176.682 174.900 0.119 0.000 1.158 445 G CA 1.181 46.138 45.100 -0.239 0.000 0.771 445 G HN 0.334 nan 8.290 nan 0.000 0.545 446 V N 0.813 120.976 119.914 0.415 0.000 2.427 446 V HA -0.098 4.023 4.120 0.001 0.000 0.248 446 V C 2.633 178.904 176.094 0.295 0.000 1.051 446 V CA 1.457 63.954 62.300 0.328 0.000 1.048 446 V CB -0.410 31.443 31.823 0.051 0.000 0.666 446 V HN 0.362 nan 8.190 nan 0.000 0.456 447 L N -0.188 121.185 121.223 0.250 0.000 2.046 447 L HA -0.133 4.207 4.340 0.001 0.000 0.208 447 L C 2.154 179.010 176.870 -0.024 0.000 1.077 447 L CA 1.772 56.711 54.840 0.165 0.000 0.747 447 L CB -0.783 41.301 42.059 0.042 0.000 0.896 447 L HN 0.205 nan 8.230 nan 0.000 0.432 448 L N -1.815 119.265 121.223 -0.239 0.000 2.083 448 L HA -0.260 4.081 4.340 0.001 0.000 0.209 448 L C 2.416 179.297 176.870 0.019 0.000 1.083 448 L CA 1.884 56.602 54.840 -0.203 0.000 0.752 448 L CB -0.414 41.488 42.059 -0.261 0.000 0.899 448 L HN 0.580 nan 8.230 nan 0.000 0.433 449 W N 1.068 122.345 121.300 -0.039 0.000 2.388 449 W HA -0.194 4.467 4.660 0.000 0.000 0.294 449 W C 2.362 178.889 176.519 0.013 0.000 1.212 449 W CA 1.505 58.870 57.345 0.033 0.000 1.271 449 W CB 0.060 29.604 29.460 0.139 0.000 1.126 449 W HN 0.119 nan 8.180 nan 0.000 0.535 450 E N 0.144 120.550 120.200 0.343 0.000 2.077 450 E HA -0.249 4.101 4.350 0.001 0.000 0.193 450 E C 2.097 178.690 176.600 -0.011 0.000 0.989 450 E CA 1.735 58.268 56.400 0.223 0.000 0.800 450 E CB -0.461 29.440 29.700 0.335 0.000 0.746 450 E HN 0.380 nan 8.360 nan 0.000 0.452 451 I N 1.153 121.694 120.570 -0.049 0.000 2.179 451 I HA -0.240 3.930 4.170 0.001 0.000 0.242 451 I C 2.505 178.434 176.117 -0.314 0.000 1.088 451 I CA 0.952 62.158 61.300 -0.157 0.000 1.357 451 I CB -0.282 37.634 38.000 -0.140 0.000 1.051 451 I HN 0.064 nan 8.210 nan 0.000 0.409 452 A N 0.256 122.906 122.820 -0.283 0.000 2.125 452 A HA -0.163 4.157 4.320 0.001 0.000 0.219 452 A C 2.090 179.435 177.584 -0.399 0.000 1.156 452 A CA 1.989 53.828 52.037 -0.331 0.000 0.671 452 A CB -0.882 17.974 19.000 -0.240 0.000 0.794 452 A HN 0.549 nan 8.150 nan 0.000 0.459 453 T N -6.888 107.393 114.554 -0.456 0.000 3.092 453 T HA 0.267 4.617 4.350 0.001 0.000 0.258 453 T C 0.217 174.873 174.700 -0.073 0.000 1.031 453 T CA 0.014 61.887 62.100 -0.378 0.000 0.925 453 T CB -0.645 67.776 68.868 -0.745 0.000 1.036 453 T HN 0.476 nan 8.240 nan 0.000 0.544 454 Y N 1.252 121.472 120.300 -0.133 0.000 3.389 454 Y HA -0.100 4.450 4.550 0.001 0.000 0.213 454 Y C 1.386 177.274 175.900 -0.020 0.000 1.272 454 Y CA 0.875 58.939 58.100 -0.061 0.000 1.444 454 Y CB -2.006 36.415 38.460 -0.065 0.000 1.445 454 Y HN 0.750 nan 8.280 nan 0.000 0.583 455 G N -0.752 108.092 108.800 0.074 0.000 2.142 455 G HA2 -0.311 3.650 3.960 0.001 0.000 0.225 455 G HA3 -0.311 3.650 3.960 0.001 0.000 0.225 455 G C 0.243 175.241 174.900 0.163 0.000 1.015 455 G CA -0.011 45.172 45.100 0.138 0.000 0.716 455 G HN 0.417 nan 8.290 nan 0.000 0.508 456 M N 0.758 120.426 119.600 0.114 0.000 2.240 456 M HA 0.349 4.830 4.480 0.001 0.000 0.333 456 M C 1.285 177.816 176.300 0.384 0.000 1.110 456 M CA 0.132 55.549 55.300 0.194 0.000 1.173 456 M CB 1.009 33.669 32.600 0.100 0.000 1.458 456 M HN 0.262 nan 8.290 nan 0.000 0.458 457 S N 2.368 118.266 115.700 0.330 0.000 2.531 457 S HA 0.279 4.750 4.470 0.001 0.000 0.279 457 S C -2.319 172.430 174.600 0.249 0.000 1.305 457 S CA -1.395 56.984 58.200 0.298 0.000 1.058 457 S CB 0.349 63.681 63.200 0.220 0.000 0.899 457 S HN 0.280 nan 8.310 nan 0.000 0.493 458 P HA 0.188 nan 4.420 nan 0.000 0.272 458 P C -1.056 176.070 177.300 -0.289 0.000 1.223 458 P CA 0.042 62.833 63.100 -0.516 0.000 0.784 458 P CB -0.053 31.209 31.700 -0.730 0.000 0.923 459 Y N -1.240 118.744 120.300 -0.526 0.000 2.970 459 Y HA -0.165 4.385 4.550 0.001 0.000 0.164 459 Y C -1.849 173.995 175.900 -0.092 0.000 1.661 459 Y CA -0.602 57.339 58.100 -0.264 0.000 0.895 459 Y CB -2.301 36.028 38.460 -0.218 0.000 1.437 459 Y HN 0.384 nan 8.280 nan 0.000 0.371 460 P HA 0.218 nan 4.420 nan 0.000 0.267 460 P C 1.067 178.415 177.300 0.080 0.000 1.205 460 P CA 1.544 64.708 63.100 0.106 0.000 0.765 460 P CB 0.979 32.760 31.700 0.135 0.000 0.828 461 G N 2.728 111.568 108.800 0.067 0.000 2.175 461 G HA2 -0.297 3.663 3.960 0.001 0.000 0.265 461 G HA3 -0.297 3.663 3.960 0.001 0.000 0.265 461 G C 0.208 175.118 174.900 0.017 0.000 0.979 461 G CA -0.173 44.952 45.100 0.042 0.000 0.663 461 G HN 0.489 nan 8.290 nan 0.000 0.533 462 I N 1.299 121.878 120.570 0.016 0.000 2.474 462 I HA 0.248 4.419 4.170 0.001 0.000 0.287 462 I C 0.227 176.316 176.117 -0.047 0.000 1.048 462 I CA -0.652 60.626 61.300 -0.036 0.000 1.383 462 I CB 0.670 38.640 38.000 -0.050 0.000 1.412 462 I HN -0.059 nan 8.210 nan 0.000 0.531 463 D N 5.344 125.706 120.400 -0.063 0.000 2.341 463 D HA 0.132 4.772 4.640 0.001 0.000 0.245 463 D C 0.696 176.959 176.300 -0.063 0.000 1.106 463 D CA -0.057 53.915 54.000 -0.047 0.000 0.905 463 D CB 1.484 42.261 40.800 -0.039 0.000 1.202 463 D HN 0.422 nan 8.370 nan 0.000 0.426 464 L N 1.750 122.950 121.223 -0.039 0.000 2.713 464 L HA -0.056 4.284 4.340 0.001 0.000 0.245 464 L C 1.550 178.396 176.870 -0.040 0.000 1.169 464 L CA 0.325 55.138 54.840 -0.044 0.000 0.962 464 L CB -0.276 41.779 42.059 -0.007 0.000 1.161 464 L HN 0.318 nan 8.230 nan 0.000 0.427 465 S N -2.509 113.165 115.700 -0.044 0.000 2.539 465 S HA 0.015 4.485 4.470 0.001 0.000 0.226 465 S C 1.374 175.952 174.600 -0.036 0.000 1.054 465 S CA -0.367 57.811 58.200 -0.036 0.000 0.910 465 S CB 0.318 63.500 63.200 -0.030 0.000 0.818 465 S HN 0.467 nan 8.310 nan 0.000 0.490 466 Q N 0.815 120.582 119.800 -0.055 0.000 2.282 466 Q HA 0.305 4.646 4.340 0.001 0.000 0.206 466 Q C 1.517 177.474 176.000 -0.072 0.000 0.878 466 Q CA 0.060 55.830 55.803 -0.055 0.000 0.944 466 Q CB 0.385 29.076 28.738 -0.077 0.000 1.100 466 Q HN 0.394 nan 8.270 nan 0.000 0.509 467 V N 0.356 120.206 119.914 -0.107 0.000 2.252 467 V HA -0.330 3.790 4.120 0.001 0.000 0.249 467 V C 1.856 177.919 176.094 -0.053 0.000 1.056 467 V CA 2.147 64.341 62.300 -0.176 0.000 1.022 467 V CB -0.611 31.031 31.823 -0.301 0.000 0.641 467 V HN 0.445 nan 8.190 nan 0.000 0.445 468 Y N 0.880 121.125 120.300 -0.093 0.000 2.145 468 Y HA -0.280 4.270 4.550 0.001 0.000 0.286 468 Y C 2.719 178.642 175.900 0.038 0.000 1.145 468 Y CA 2.348 60.437 58.100 -0.018 0.000 1.148 468 Y CB -0.164 38.273 38.460 -0.038 0.000 0.981 468 Y HN 0.391 nan 8.280 nan 0.000 0.507 469 E N 0.028 120.327 120.200 0.165 0.000 2.058 469 E HA -0.238 4.112 4.350 0.001 0.000 0.194 469 E C 2.088 178.667 176.600 -0.034 0.000 0.997 469 E CA 1.790 58.229 56.400 0.064 0.000 0.801 469 E CB -0.368 29.361 29.700 0.048 0.000 0.746 469 E HN 0.595 nan 8.360 nan 0.000 0.450 470 L N 0.462 121.664 121.223 -0.035 0.000 2.017 470 L HA -0.198 4.142 4.340 0.001 0.000 0.208 470 L C 2.639 179.551 176.870 0.070 0.000 1.073 470 L CA 0.918 55.747 54.840 -0.018 0.000 0.745 470 L CB -0.395 41.604 42.059 -0.100 0.000 0.894 470 L HN 0.257 nan 8.230 nan 0.000 0.432 471 L N -0.438 120.828 121.223 0.071 0.000 2.079 471 L HA -0.239 4.101 4.340 0.001 0.000 0.210 471 L C 2.576 179.463 176.870 0.027 0.000 1.081 471 L CA 1.316 56.255 54.840 0.165 0.000 0.752 471 L CB -0.513 41.674 42.059 0.214 0.000 0.896 471 L HN 0.351 nan 8.230 nan 0.000 0.433 472 E N 0.651 120.702 120.200 -0.248 0.000 2.204 472 E HA -0.204 4.146 4.350 0.001 0.000 0.195 472 E C 1.439 177.746 176.600 -0.488 0.000 0.990 472 E CA 0.931 56.875 56.400 -0.760 0.000 0.821 472 E CB 0.210 29.552 29.700 -0.596 0.000 0.750 472 E HN 0.409 nan 8.360 nan 0.000 0.477 473 K N 0.345 120.616 120.400 -0.215 0.000 2.437 473 K HA -0.007 4.313 4.320 0.001 0.000 0.198 473 K C -0.159 176.411 176.600 -0.051 0.000 1.024 473 K CA 0.432 56.646 56.287 -0.123 0.000 1.148 473 K CB 0.389 32.857 32.500 -0.054 0.000 0.860 473 K HN 0.028 nan 8.250 nan 0.000 0.515 474 D N -0.636 119.736 120.400 -0.047 0.000 3.090 474 D HA -0.244 4.396 4.640 0.001 0.000 0.215 474 D C -0.755 175.591 176.300 0.076 0.000 1.140 474 D CA 0.539 54.553 54.000 0.024 0.000 0.937 474 D CB -1.397 39.401 40.800 -0.002 0.000 1.108 474 D HN 0.396 nan 8.370 nan 0.000 0.420 475 Y N 1.097 121.406 120.300 0.016 0.000 2.346 475 Y HA 0.518 5.068 4.550 0.001 0.000 0.330 475 Y C 0.303 176.234 175.900 0.052 0.000 1.178 475 Y CA 0.159 58.279 58.100 0.033 0.000 1.331 475 Y CB 0.524 38.995 38.460 0.018 0.000 1.253 475 Y HN -0.093 nan 8.280 nan 0.000 0.529 476 R N 5.311 125.254 120.500 -0.928 0.000 2.739 476 R HA 0.332 4.673 4.340 0.001 0.000 0.271 476 R C -0.929 174.837 176.300 -0.890 0.000 1.010 476 R CA -1.165 54.536 56.100 -0.664 0.000 0.897 476 R CB 1.703 31.882 30.300 -0.201 0.000 1.236 476 R HN 0.861 nan 8.270 nan 0.000 0.466 477 M N 1.128 120.295 119.600 -0.720 0.000 2.252 477 M HA 0.009 4.489 4.480 0.001 0.000 0.321 477 M C 0.737 177.036 176.300 -0.003 0.000 1.070 477 M CA 0.510 55.517 55.300 -0.487 0.000 1.143 477 M CB 0.169 32.206 32.600 -0.938 0.000 1.498 477 M HN 0.368 nan 8.290 nan 0.000 0.445 478 E N 1.631 121.873 120.200 0.070 0.000 2.374 478 E HA 0.134 4.484 4.350 0.001 0.000 0.260 478 E C -0.401 176.206 176.600 0.012 0.000 1.101 478 E CA -0.281 56.160 56.400 0.068 0.000 0.907 478 E CB 0.680 30.408 29.700 0.048 0.000 1.014 478 E HN 0.415 nan 8.360 nan 0.000 0.427 479 R N 3.428 123.578 120.500 -0.584 0.000 2.484 479 R HA 0.109 4.449 4.340 0.001 0.000 0.293 479 R C -2.025 174.136 176.300 -0.231 0.000 1.023 479 R CA -1.120 54.502 56.100 -0.797 0.000 1.037 479 R CB 0.051 29.688 30.300 -1.105 0.000 0.951 479 R HN 0.382 nan 8.270 nan 0.000 0.418 480 P HA -0.065 nan 4.420 nan 0.000 0.269 480 P C -1.089 176.126 177.300 -0.141 0.000 1.215 480 P CA -0.104 62.878 63.100 -0.196 0.000 0.780 480 P CB 0.525 31.993 31.700 -0.386 0.000 0.898 481 E N 1.569 121.705 120.200 -0.106 0.000 2.585 481 E HA 0.093 4.443 4.350 0.001 0.000 0.252 481 E C 1.058 177.624 176.600 -0.058 0.000 0.981 481 E CA 0.898 57.257 56.400 -0.068 0.000 0.943 481 E CB -0.679 28.994 29.700 -0.046 0.000 0.923 481 E HN 0.751 nan 8.360 nan 0.000 0.486 482 G N 3.413 112.185 108.800 -0.046 0.000 2.212 482 G HA2 -0.354 3.606 3.960 0.001 0.000 0.266 482 G HA3 -0.354 3.606 3.960 0.001 0.000 0.266 482 G C 0.416 175.301 174.900 -0.026 0.000 0.978 482 G CA 0.097 45.179 45.100 -0.029 0.000 0.632 482 G HN 0.760 nan 8.290 nan 0.000 0.537 483 C N 4.079 123.353 119.300 -0.044 0.000 2.648 483 C HA 0.530 4.990 4.460 0.001 0.000 0.415 483 C C -0.911 174.100 174.990 0.035 0.000 1.366 483 C CA -1.444 57.565 59.018 -0.016 0.000 1.756 483 C CB 0.053 27.771 27.740 -0.037 0.000 2.549 483 C HN 0.461 nan 8.230 nan 0.000 0.597 484 P HA 0.080 nan 4.420 nan 0.000 0.269 484 P C 0.409 177.789 177.300 0.134 0.000 1.209 484 P CA 0.497 63.683 63.100 0.144 0.000 0.776 484 P CB 0.573 32.450 31.700 0.295 0.000 0.876 485 E N 3.109 123.371 120.200 0.103 0.000 2.070 485 E HA -0.238 4.112 4.350 0.001 0.000 0.197 485 E C 1.551 178.197 176.600 0.076 0.000 1.004 485 E CA 1.984 58.443 56.400 0.099 0.000 0.805 485 E CB -0.439 29.298 29.700 0.061 0.000 0.744 485 E HN 0.380 nan 8.360 nan 0.000 0.451 486 K N -0.630 119.779 120.400 0.015 0.000 2.147 486 K HA -0.079 4.241 4.320 0.001 0.000 0.205 486 K C 2.069 178.633 176.600 -0.060 0.000 1.049 486 K CA 1.153 57.395 56.287 -0.076 0.000 0.936 486 K CB 0.004 32.380 32.500 -0.208 0.000 0.722 486 K HN 0.047 nan 8.250 nan 0.000 0.446 487 V N 0.284 120.229 119.914 0.051 0.000 2.379 487 V HA -0.231 3.889 4.120 0.001 0.000 0.245 487 V C 1.941 178.057 176.094 0.037 0.000 1.044 487 V CA 1.442 63.795 62.300 0.088 0.000 1.036 487 V CB -0.477 31.466 31.823 0.201 0.000 0.664 487 V HN 0.262 nan 8.190 nan 0.000 0.453 488 Y N 1.363 121.631 120.300 -0.052 0.000 2.242 488 Y HA -0.177 4.373 4.550 0.001 0.000 0.291 488 Y C 2.473 178.285 175.900 -0.147 0.000 1.137 488 Y CA 1.710 59.760 58.100 -0.084 0.000 1.181 488 Y CB -0.190 38.255 38.460 -0.024 0.000 0.989 488 Y HN 0.385 nan 8.280 nan 0.000 0.527 489 E N -0.095 119.994 120.200 -0.186 0.000 2.110 489 E HA -0.220 4.130 4.350 0.001 0.000 0.193 489 E C 2.292 178.688 176.600 -0.339 0.000 0.988 489 E CA 1.107 57.342 56.400 -0.275 0.000 0.804 489 E CB -0.303 29.304 29.700 -0.155 0.000 0.745 489 E HN 0.472 nan 8.360 nan 0.000 0.458 490 L N 0.409 121.449 121.223 -0.305 0.000 2.046 490 L HA -0.195 4.145 4.340 0.001 0.000 0.208 490 L C 2.465 179.057 176.870 -0.464 0.000 1.077 490 L CA 1.050 55.687 54.840 -0.340 0.000 0.747 490 L CB -0.121 41.744 42.059 -0.323 0.000 0.896 490 L HN 0.276 nan 8.230 nan 0.000 0.432 491 M N -1.119 118.131 119.600 -0.583 0.000 2.080 491 M HA -0.227 4.253 4.480 0.001 0.000 0.260 491 M C 2.253 177.747 176.300 -1.344 0.000 1.068 491 M CA 1.608 56.266 55.300 -1.070 0.000 1.109 491 M CB -0.348 31.597 32.600 -1.091 0.000 1.342 491 M HN 0.154 nan 8.290 nan 0.000 0.405 492 R N 0.043 119.995 120.500 -0.914 0.000 2.115 492 R HA -0.008 4.332 4.340 0.001 0.000 0.230 492 R C 2.153 178.228 176.300 -0.376 0.000 1.111 492 R CA 1.481 57.244 56.100 -0.562 0.000 0.976 492 R CB -1.138 28.879 30.300 -0.471 0.000 0.870 492 R HN 0.423 nan 8.270 nan 0.000 0.445 493 A N 0.284 122.875 122.820 -0.381 0.000 1.930 493 A HA -0.134 4.186 4.320 0.001 0.000 0.217 493 A C 2.505 179.937 177.584 -0.254 0.000 1.175 493 A CA 1.318 53.202 52.037 -0.255 0.000 0.627 493 A CB -0.742 18.111 19.000 -0.244 0.000 0.815 493 A HN 0.372 nan 8.150 nan 0.000 0.443 494 C N -2.165 116.892 119.300 -0.406 0.000 2.435 494 C HA -0.091 4.370 4.460 0.001 0.000 0.279 494 C C 1.517 176.339 174.990 -0.281 0.000 1.321 494 C CA -0.077 58.725 59.018 -0.360 0.000 1.752 494 C CB -1.413 26.040 27.740 -0.478 0.000 1.959 494 C HN 0.808 nan 8.230 nan 0.000 0.500 495 W N 1.023 122.040 121.300 -0.472 0.000 3.391 495 W HA 0.288 4.949 4.660 0.001 0.000 0.372 495 W C 0.529 176.950 176.519 -0.163 0.000 1.171 495 W CA -0.524 56.338 57.345 -0.805 0.000 1.862 495 W CB -1.205 27.677 29.460 -0.963 0.000 1.048 495 W HN 0.402 nan 8.180 nan 0.000 0.726 496 Q N 0.168 120.073 119.800 0.174 0.000 2.364 496 Q HA -0.110 4.231 4.340 0.001 0.000 0.267 496 Q C 1.492 177.747 176.000 0.426 0.000 0.999 496 Q CA 0.099 56.048 55.803 0.243 0.000 0.886 496 Q CB 1.065 29.880 28.738 0.128 0.000 1.243 496 Q HN 0.347 nan 8.270 nan 0.000 0.415 497 W N 3.721 125.157 121.300 0.228 0.000 2.333 497 W HA -0.181 4.480 4.660 0.001 0.000 0.316 497 W C 0.445 177.038 176.519 0.122 0.000 1.215 497 W CA 1.080 58.536 57.345 0.184 0.000 1.278 497 W CB 0.201 29.710 29.460 0.082 0.000 1.154 497 W HN 0.567 nan 8.180 nan 0.000 0.486 498 N N 1.588 120.422 118.700 0.223 0.000 2.430 498 N HA 0.026 4.766 4.740 0.001 0.000 0.265 498 N C -1.438 174.098 175.510 0.044 0.000 1.100 498 N CA -1.486 51.618 53.050 0.090 0.000 0.961 498 N CB 1.212 39.787 38.487 0.147 0.000 1.075 498 N HN -0.070 nan 8.380 nan 0.000 0.478 499 P HA -0.167 nan 4.420 nan 0.000 0.217 499 P C 0.960 178.268 177.300 0.014 0.000 1.148 499 P CA 1.291 64.393 63.100 0.003 0.000 0.828 499 P CB 0.068 31.749 31.700 -0.032 0.000 0.783 500 S N -1.365 114.343 115.700 0.013 0.000 2.515 500 S HA -0.083 4.387 4.470 0.001 0.000 0.231 500 S C 1.438 176.043 174.600 0.009 0.000 0.987 500 S CA 0.845 59.050 58.200 0.008 0.000 0.936 500 S CB -0.870 62.337 63.200 0.011 0.000 0.766 500 S HN 0.026 nan 8.310 nan 0.000 0.528 501 D N 1.419 121.835 120.400 0.026 0.000 2.349 501 D HA 0.149 4.789 4.640 0.001 0.000 0.215 501 D C 0.581 176.881 176.300 -0.001 0.000 1.016 501 D CA 0.223 54.236 54.000 0.022 0.000 0.870 501 D CB 0.091 40.923 40.800 0.054 0.000 0.917 501 D HN 0.506 nan 8.370 nan 0.000 0.524 502 R N 1.554 122.051 120.500 -0.004 0.000 2.490 502 R HA 0.290 4.630 4.340 0.001 0.000 0.278 502 R C -2.118 174.123 176.300 -0.098 0.000 1.069 502 R CA -1.312 54.761 56.100 -0.046 0.000 1.080 502 R CB 0.386 30.675 30.300 -0.019 0.000 1.030 502 R HN 0.017 nan 8.270 nan 0.000 0.491 503 P HA 0.003 nan 4.420 nan 0.000 0.274 503 P C -0.580 176.584 177.300 -0.226 0.000 1.246 503 P CA -0.362 62.637 63.100 -0.168 0.000 0.795 503 P CB 0.941 32.526 31.700 -0.192 0.000 1.006 504 S N 0.012 115.605 115.700 -0.178 0.000 2.645 504 S HA 0.245 4.715 4.470 0.001 0.000 0.266 504 S C 1.011 175.479 174.600 -0.220 0.000 1.258 504 S CA -0.369 57.724 58.200 -0.177 0.000 0.990 504 S CB -0.037 63.128 63.200 -0.060 0.000 0.967 504 S HN 0.237 nan 8.310 nan 0.000 0.556 505 F N 0.684 120.587 119.950 -0.078 0.000 2.293 505 F HA 0.108 4.635 4.527 0.001 0.000 0.300 505 F C 2.709 178.466 175.800 -0.071 0.000 1.086 505 F CA 1.016 58.942 58.000 -0.123 0.000 1.375 505 F CB -1.047 37.873 39.000 -0.133 0.000 1.045 505 F HN 0.775 nan 8.300 nan 0.000 0.516 506 A N 0.062 122.955 122.820 0.121 0.000 1.902 506 A HA -0.213 4.107 4.320 0.001 0.000 0.217 506 A C 2.125 179.749 177.584 0.067 0.000 1.181 506 A CA 1.892 53.982 52.037 0.089 0.000 0.623 506 A CB -0.705 18.327 19.000 0.054 0.000 0.818 506 A HN 0.432 nan 8.150 nan 0.000 0.443 507 E N -0.463 119.735 120.200 -0.003 0.000 2.106 507 E HA -0.097 4.254 4.350 0.001 0.000 0.192 507 E C 1.849 178.393 176.600 -0.094 0.000 0.984 507 E CA 1.012 57.381 56.400 -0.051 0.000 0.806 507 E CB -0.248 29.400 29.700 -0.087 0.000 0.750 507 E HN 0.699 nan 8.360 nan 0.000 0.458 508 I N 0.857 121.358 120.570 -0.115 0.000 2.202 508 I HA -0.283 3.887 4.170 0.001 0.000 0.242 508 I C 2.720 178.773 176.117 -0.107 0.000 1.091 508 I CA 1.166 62.344 61.300 -0.203 0.000 1.368 508 I CB -0.364 37.498 38.000 -0.230 0.000 1.058 508 I HN 0.257 nan 8.210 nan 0.000 0.410 509 H N 0.799 119.871 119.070 0.005 0.000 2.321 509 H HA -0.246 4.311 4.556 0.001 0.000 0.300 509 H C 2.201 177.590 175.328 0.101 0.000 1.087 509 H CA 2.158 58.288 56.048 0.138 0.000 1.319 509 H CB 0.131 29.956 29.762 0.105 0.000 1.379 509 H HN 0.256 nan 8.280 nan 0.000 0.501 510 Q N 0.946 120.782 119.800 0.060 0.000 2.124 510 Q HA -0.064 4.276 4.340 0.001 0.000 0.202 510 Q C 2.321 178.268 176.000 -0.089 0.000 0.977 510 Q CA 1.865 57.661 55.803 -0.011 0.000 0.850 510 Q CB -0.537 28.218 28.738 0.028 0.000 0.901 510 Q HN 0.513 nan 8.270 nan 0.000 0.429 511 A N -0.635 122.094 122.820 -0.152 0.000 1.902 511 A HA -0.120 4.200 4.320 0.001 0.000 0.217 511 A C 1.808 179.264 177.584 -0.213 0.000 1.181 511 A CA 1.353 53.252 52.037 -0.229 0.000 0.623 511 A CB -0.861 17.934 19.000 -0.342 0.000 0.818 511 A HN 0.449 nan 8.150 nan 0.000 0.443 512 F N 0.656 120.541 119.950 -0.108 0.000 2.102 512 F HA -0.120 4.407 4.527 0.001 0.000 0.298 512 F C 2.482 178.230 175.800 -0.086 0.000 1.105 512 F CA 1.533 59.488 58.000 -0.075 0.000 1.239 512 F CB -0.420 38.544 39.000 -0.059 0.000 0.991 512 F HN 0.235 nan 8.300 nan 0.000 0.474 513 E N -0.533 119.692 120.200 0.041 0.000 2.204 513 E HA -0.146 4.204 4.350 0.001 0.000 0.195 513 E C 1.886 178.482 176.600 -0.006 0.000 0.990 513 E CA 1.731 58.127 56.400 -0.008 0.000 0.821 513 E CB -0.770 28.881 29.700 -0.083 0.000 0.750 513 E HN 0.467 nan 8.360 nan 0.000 0.477 514 T N -2.803 111.725 114.554 -0.042 0.000 3.134 514 T HA 0.256 4.607 4.350 0.001 0.000 0.260 514 T C 1.490 176.113 174.700 -0.128 0.000 1.027 514 T CA -0.230 61.829 62.100 -0.068 0.000 0.913 514 T CB 0.069 68.893 68.868 -0.074 0.000 1.046 514 T HN -0.057 nan 8.240 nan 0.000 0.553 515 M N 0.565 120.062 119.600 -0.171 0.000 2.288 515 M HA 0.329 4.809 4.480 0.001 0.000 0.266 515 M C -0.514 175.344 176.300 -0.735 0.000 1.072 515 M CA 1.226 56.244 55.300 -0.471 0.000 1.132 515 M CB 0.194 32.438 32.600 -0.593 0.000 1.386 515 M HN 0.299 nan 8.290 nan 0.000 0.432 516 F N -0.031 119.913 119.950 -0.009 0.000 2.523 516 F HA 0.303 4.830 4.527 0.001 0.000 0.322 516 F C 0.833 176.607 175.800 -0.043 0.000 1.361 516 F CA -0.548 57.441 58.000 -0.019 0.000 1.151 516 F CB 0.334 39.330 39.000 -0.007 0.000 1.391 516 F HN 0.045 nan 8.300 nan 0.000 0.566 517 Q N 0.016 119.832 119.800 0.026 0.000 2.354 517 Q HA 0.010 4.350 4.340 0.001 0.000 0.203 517 Q C 0.463 176.465 176.000 0.003 0.000 0.933 517 Q CA 0.824 56.624 55.803 -0.005 0.000 0.901 517 Q CB 0.230 28.946 28.738 -0.035 0.000 1.007 517 Q HN 0.513 nan 8.270 nan 0.000 0.495 518 E N 0.285 120.497 120.200 0.020 0.000 2.624 518 E HA 0.123 4.474 4.350 0.001 0.000 0.210 518 E C -0.768 175.850 176.600 0.030 0.000 0.997 518 E CA -0.170 56.240 56.400 0.016 0.000 0.999 518 E CB 1.152 30.855 29.700 0.005 0.000 1.040 518 E HN 0.194 nan 8.360 nan 0.000 0.469 519 S N -1.572 114.163 115.700 0.058 0.000 2.735 519 S HA 0.286 4.757 4.470 0.001 0.000 0.279 519 S C -0.383 174.273 174.600 0.094 0.000 0.989 519 S CA -0.904 57.327 58.200 0.051 0.000 0.883 519 S CB 0.175 63.408 63.200 0.054 0.000 1.117 519 S HN 0.122 nan 8.310 nan 0.000 0.458 520 S N 0.774 116.482 115.700 0.015 0.000 2.669 520 S HA 0.596 5.066 4.470 0.001 0.000 0.270 520 S C 1.165 175.638 174.600 -0.212 0.000 1.225 520 S CA -0.426 57.740 58.200 -0.057 0.000 0.991 520 S CB 0.594 63.737 63.200 -0.094 0.000 0.987 520 S HN 1.189 nan 8.310 nan 0.000 0.552 521 I N 0.943 121.161 120.570 -0.587 0.000 2.394 521 I HA -0.176 3.994 4.170 0.001 0.000 0.251 521 I C 2.013 177.898 176.117 -0.387 0.000 1.136 521 I CA 1.316 62.031 61.300 -0.975 0.000 1.425 521 I CB -0.376 36.913 38.000 -1.185 0.000 1.079 521 I HN 0.789 nan 8.210 nan 0.000 0.425 522 S N 0.890 116.439 115.700 -0.252 0.000 2.359 522 S HA -0.215 4.255 4.470 0.001 0.000 0.224 522 S C 1.584 176.123 174.600 -0.101 0.000 1.035 522 S CA 1.698 59.810 58.200 -0.145 0.000 1.018 522 S CB -0.489 62.642 63.200 -0.115 0.000 0.876 522 S HN 0.544 nan 8.310 nan 0.000 0.448 523 D N 1.006 121.353 120.400 -0.088 0.000 2.117 523 D HA -0.069 4.572 4.640 0.001 0.000 0.197 523 D C 2.054 178.344 176.300 -0.017 0.000 0.987 523 D CA 0.840 54.814 54.000 -0.044 0.000 0.829 523 D CB -0.255 40.529 40.800 -0.026 0.000 0.961 523 D HN 0.294 nan 8.370 nan 0.000 0.460 524 E N 0.536 120.732 120.200 -0.005 0.000 2.106 524 E HA -0.080 4.271 4.350 0.001 0.000 0.192 524 E C 2.456 179.069 176.600 0.021 0.000 0.984 524 E CA 0.223 56.654 56.400 0.052 0.000 0.806 524 E CB -0.288 29.520 29.700 0.180 0.000 0.750 524 E HN 0.148 nan 8.360 nan 0.000 0.458 525 V N 2.222 122.122 119.914 -0.023 0.000 2.407 525 V HA -0.222 3.898 4.120 0.001 0.000 0.248 525 V C 2.247 178.331 176.094 -0.016 0.000 1.055 525 V CA 1.587 63.873 62.300 -0.022 0.000 1.049 525 V CB -0.394 31.401 31.823 -0.046 0.000 0.662 525 V HN 0.174 nan 8.190 nan 0.000 0.455 526 E N 0.522 120.710 120.200 -0.020 0.000 2.031 526 E HA -0.208 4.142 4.350 0.001 0.000 0.193 526 E C 2.238 178.834 176.600 -0.007 0.000 0.994 526 E CA 1.218 57.608 56.400 -0.016 0.000 0.800 526 E CB -0.356 29.332 29.700 -0.019 0.000 0.752 526 E HN 0.591 nan 8.360 nan 0.000 0.447 527 K N 0.702 121.103 120.400 0.001 0.000 2.074 527 K HA -0.162 4.158 4.320 0.001 0.000 0.209 527 K C 2.002 178.605 176.600 0.005 0.000 1.048 527 K CA 1.061 57.352 56.287 0.007 0.000 0.926 527 K CB -0.056 32.454 32.500 0.017 0.000 0.713 527 K HN 0.054 nan 8.250 nan 0.000 0.444 528 E N 0.901 121.105 120.200 0.006 0.000 2.110 528 E HA -0.132 4.219 4.350 0.001 0.000 0.193 528 E C 2.144 178.739 176.600 -0.009 0.000 0.988 528 E CA 0.979 57.379 56.400 -0.000 0.000 0.804 528 E CB -0.126 29.575 29.700 0.001 0.000 0.745 528 E HN 0.323 nan 8.360 nan 0.000 0.458 529 L N -0.305 120.912 121.223 -0.010 0.000 2.071 529 L HA 0.038 4.378 4.340 0.001 0.000 0.201 529 L C 2.533 179.397 176.870 -0.011 0.000 1.076 529 L CA 0.961 55.793 54.840 -0.013 0.000 0.755 529 L CB -0.912 41.138 42.059 -0.015 0.000 0.915 529 L HN 0.171 nan 8.230 nan 0.000 0.445 530 G N 0.438 109.232 108.800 -0.009 0.000 2.545 530 G HA2 -0.326 3.634 3.960 0.001 0.000 0.222 530 G HA3 -0.326 3.634 3.960 0.001 0.000 0.222 530 G C 1.055 175.951 174.900 -0.006 0.000 1.126 530 G CA 0.664 45.759 45.100 -0.007 0.000 0.754 530 G HN 0.214 nan 8.290 nan 0.000 0.583 531 K N 0.000 120.397 120.400 -0.005 0.000 2.780 531 K HA 0.000 4.320 4.320 0.001 0.000 0.191 531 K CA 0.000 56.285 56.287 -0.004 0.000 0.838 531 K CB 0.000 32.498 32.500 -0.003 0.000 1.064 531 K HN 0.000 nan 8.250 nan 0.000 0.543