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 3gi9_1_C DATA FIRST_RESID 1 DATA SEQUENCE MELKNKKLSL WEAVSMAVGV MIGASIFSIF GVGAKIAGRN LPETFILSGI DATA SEQUENCE YALLVAYSYT KLGAKIVSNA GPIAFIHKAI GDNIITGALS ILLWMSYVIS DATA SEQUENCE IALFAKGFAG YFLPLIXAPI NTFNIAITEI GIVAFFTALN FFGSKAVGRA DATA SEQUENCE EFFIVLVKLL ILGLFIFAGL ITIHPSYVIP DLAPSAVSGM IFASAIFFLS DATA SEQUENCE YMGFGVITNA SEHIENPKKN VPRAIFISIL IVMFVYVGVA ISAIGNLPID DATA SEQUENCE ELIKASENAL AVAAKPFLGN LGFLLISIGA LFSISSAMNA TIYGGANVAY DATA SEQUENCE SLAKDGELPE FFERKVWFKS TEGLYITSAL GVLFALLFNM EGVASITSAV DATA SEQUENCE FMVIYLFVIL SHYILIDEVG GRKEIVIFSF IVVLGVFLLL LYYQWITNRF DATA SEQUENCE VFYGIIATFI GVLIFEIIYR KVTKRTFSNN MYVKSLES VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.257 176.300 -0.071 0.000 1.140 1 M CA 0.000 55.271 55.300 -0.049 0.000 0.988 1 M CB 0.000 32.564 32.600 -0.060 0.000 1.302 2 E N 1.936 122.081 120.200 -0.092 0.000 2.156 2 E HA 0.630 4.980 4.350 -0.001 0.000 0.279 2 E C -1.982 174.468 176.600 -0.250 0.000 0.965 2 E CA -0.683 55.642 56.400 -0.124 0.000 0.789 2 E CB 1.496 31.154 29.700 -0.069 0.000 1.098 2 E HN 0.609 nan 8.360 nan 0.000 0.397 3 L N 4.092 125.013 121.223 -0.503 0.000 2.344 3 L HA 0.463 4.802 4.340 -0.001 0.000 0.272 3 L C -0.592 175.868 176.870 -0.683 0.000 1.035 3 L CA -0.220 54.125 54.840 -0.825 0.000 0.807 3 L CB 1.464 42.598 42.059 -1.542 0.000 1.237 3 L HN 0.551 nan 8.230 nan 0.000 0.442 4 K N 0.513 120.679 120.400 -0.390 0.000 2.535 4 K HA 0.533 4.853 4.320 -0.001 0.000 0.251 4 K C -1.158 175.402 176.600 -0.065 0.000 0.942 4 K CA -0.759 55.472 56.287 -0.093 0.000 0.798 4 K CB 1.202 33.662 32.500 -0.068 0.000 1.267 4 K HN 0.338 nan 8.250 nan 0.000 0.434 5 N N 1.482 120.165 118.700 -0.029 0.000 2.503 5 N HA 0.077 4.816 4.740 -0.001 0.000 0.267 5 N C -0.939 174.491 175.510 -0.134 0.000 1.214 5 N CA -0.512 52.441 53.050 -0.162 0.000 0.959 5 N CB 0.656 38.809 38.487 -0.557 0.000 1.142 5 N HN 0.362 nan 8.380 nan 0.000 0.455 6 K N 2.033 122.387 120.400 -0.077 0.000 2.412 6 K HA 0.063 4.382 4.320 -0.001 0.000 0.284 6 K C -0.411 176.177 176.600 -0.021 0.000 1.046 6 K CA 0.366 56.631 56.287 -0.037 0.000 0.999 6 K CB 0.428 32.922 32.500 -0.011 0.000 0.941 6 K HN 0.333 nan 8.250 nan 0.000 0.474 7 K N 3.563 123.944 120.400 -0.031 0.000 2.138 7 K HA 0.354 4.673 4.320 -0.001 0.000 0.263 7 K C -0.286 176.318 176.600 0.008 0.000 0.965 7 K CA -0.675 55.603 56.287 -0.016 0.000 0.868 7 K CB 1.246 33.724 32.500 -0.038 0.000 1.083 7 K HN 0.307 nan 8.250 nan 0.000 0.443 8 L N 1.864 123.105 121.223 0.031 0.000 2.334 8 L HA 0.232 4.571 4.340 -0.001 0.000 0.277 8 L C 0.806 177.693 176.870 0.028 0.000 1.075 8 L CA -0.568 54.291 54.840 0.033 0.000 0.804 8 L CB 1.409 43.503 42.059 0.058 0.000 1.174 8 L HN 0.738 nan 8.230 nan 0.000 0.438 9 S N 1.598 117.314 115.700 0.027 0.000 2.634 9 S HA 0.141 4.611 4.470 -0.001 0.000 0.261 9 S C 0.870 175.492 174.600 0.036 0.000 1.271 9 S CA -0.674 57.548 58.200 0.037 0.000 0.985 9 S CB 0.978 64.214 63.200 0.060 0.000 0.968 9 S HN 0.592 nan 8.310 nan 0.000 0.568 10 L N 0.106 121.317 121.223 -0.020 0.000 2.013 10 L HA 0.024 4.363 4.340 -0.001 0.000 0.212 10 L C 2.018 178.792 176.870 -0.160 0.000 1.073 10 L CA 1.726 56.469 54.840 -0.161 0.000 0.753 10 L CB -0.957 40.895 42.059 -0.344 0.000 0.890 10 L HN 0.850 nan 8.230 nan 0.000 0.432 11 W N -0.062 121.304 121.300 0.111 0.000 2.436 11 W HA -0.035 4.624 4.660 -0.001 0.000 0.284 11 W C 2.477 179.179 176.519 0.306 0.000 1.225 11 W CA 0.831 58.289 57.345 0.188 0.000 1.271 11 W CB -0.119 29.471 29.460 0.216 0.000 1.114 11 W HN 0.179 nan 8.180 nan 0.000 0.559 12 E N 0.269 120.710 120.200 0.401 0.000 2.106 12 E HA -0.177 4.173 4.350 -0.001 0.000 0.192 12 E C 2.321 179.079 176.600 0.262 0.000 0.984 12 E CA 1.284 57.884 56.400 0.335 0.000 0.806 12 E CB -0.322 29.435 29.700 0.095 0.000 0.750 12 E HN 0.240 nan 8.360 nan 0.000 0.458 13 A N 0.692 123.610 122.820 0.164 0.000 1.897 13 A HA -0.098 4.222 4.320 -0.001 0.000 0.215 13 A C 2.454 180.100 177.584 0.104 0.000 1.181 13 A CA 0.815 52.919 52.037 0.111 0.000 0.620 13 A CB -0.520 18.517 19.000 0.062 0.000 0.821 13 A HN 0.102 nan 8.150 nan 0.000 0.443 14 V N -0.205 119.766 119.914 0.096 0.000 2.261 14 V HA -0.239 3.880 4.120 -0.001 0.000 0.246 14 V C 2.882 179.056 176.094 0.132 0.000 1.047 14 V CA 2.423 64.773 62.300 0.084 0.000 1.015 14 V CB -0.760 31.097 31.823 0.057 0.000 0.642 14 V HN 0.694 nan 8.190 nan 0.000 0.446 15 S N -0.649 115.179 115.700 0.213 0.000 2.370 15 S HA -0.322 4.147 4.470 -0.001 0.000 0.226 15 S C 2.104 176.765 174.600 0.101 0.000 1.033 15 S CA 2.534 60.809 58.200 0.126 0.000 1.011 15 S CB -0.420 62.857 63.200 0.130 0.000 0.852 15 S HN 0.545 nan 8.310 nan 0.000 0.457 16 M N 0.890 120.579 119.600 0.148 0.000 2.080 16 M HA -0.114 4.365 4.480 -0.001 0.000 0.260 16 M C 2.155 178.509 176.300 0.091 0.000 1.068 16 M CA 2.026 57.400 55.300 0.123 0.000 1.109 16 M CB -0.601 32.080 32.600 0.134 0.000 1.342 16 M HN 0.466 nan 8.290 nan 0.000 0.405 17 A N -0.389 122.477 122.820 0.076 0.000 1.873 17 A HA -0.091 4.229 4.320 -0.001 0.000 0.215 17 A C 2.048 179.647 177.584 0.026 0.000 1.186 17 A CA 1.691 53.757 52.037 0.047 0.000 0.616 17 A CB -1.172 17.833 19.000 0.009 0.000 0.823 17 A HN 0.422 nan 8.150 nan 0.000 0.442 18 V N 0.163 120.084 119.914 0.012 0.000 2.380 18 V HA -0.249 3.871 4.120 -0.001 0.000 0.251 18 V C 2.758 178.853 176.094 0.003 0.000 1.063 18 V CA 2.055 64.344 62.300 -0.018 0.000 1.055 18 V CB -1.400 30.409 31.823 -0.024 0.000 0.657 18 V HN 0.641 nan 8.190 nan 0.000 0.455 19 G N -0.420 108.395 108.800 0.025 0.000 2.433 19 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.216 19 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.216 19 G C 1.653 176.593 174.900 0.067 0.000 1.186 19 G CA 1.236 46.359 45.100 0.038 0.000 0.779 19 G HN 0.400 nan 8.290 nan 0.000 0.543 20 V N 0.788 120.751 119.914 0.082 0.000 2.358 20 V HA -0.172 3.948 4.120 -0.001 0.000 0.246 20 V C 2.862 179.096 176.094 0.233 0.000 1.047 20 V CA 2.032 64.424 62.300 0.154 0.000 1.035 20 V CB -0.427 31.509 31.823 0.189 0.000 0.658 20 V HN 0.341 nan 8.190 nan 0.000 0.452 21 M N -0.698 118.985 119.600 0.138 0.000 2.086 21 M HA -0.167 4.312 4.480 -0.001 0.000 0.261 21 M C 2.152 178.564 176.300 0.187 0.000 1.067 21 M CA 2.141 57.516 55.300 0.124 0.000 1.116 21 M CB -0.438 32.179 32.600 0.028 0.000 1.348 21 M HN 0.230 nan 8.290 nan 0.000 0.407 22 I N -0.584 120.069 120.570 0.139 0.000 2.252 22 I HA -0.189 3.981 4.170 -0.001 0.000 0.245 22 I C 2.466 178.710 176.117 0.212 0.000 1.102 22 I CA 1.365 62.751 61.300 0.143 0.000 1.385 22 I CB -0.832 37.200 38.000 0.054 0.000 1.064 22 I HN 0.394 nan 8.210 nan 0.000 0.414 23 G N 0.203 109.176 108.800 0.288 0.000 2.448 23 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.219 23 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.219 23 G C 1.678 176.903 174.900 0.541 0.000 1.127 23 G CA 0.811 46.157 45.100 0.409 0.000 0.766 23 G HN 0.501 nan 8.290 nan 0.000 0.552 24 A N -0.164 122.920 122.820 0.441 0.000 2.095 24 A HA 0.407 4.726 4.320 -0.001 0.000 0.212 24 A C 2.408 180.003 177.584 0.018 0.000 1.162 24 A CA 1.647 53.786 52.037 0.169 0.000 0.753 24 A CB 0.190 19.220 19.000 0.049 0.000 0.840 24 A HN 0.283 nan 8.150 nan 0.000 0.468 25 S N -0.450 115.275 115.700 0.041 0.000 2.655 25 S HA 0.177 4.647 4.470 -0.001 0.000 0.231 25 S C 1.630 176.278 174.600 0.081 0.000 1.044 25 S CA 0.371 58.541 58.200 -0.051 0.000 0.910 25 S CB -0.288 62.747 63.200 -0.276 0.000 0.833 25 S HN 0.293 nan 8.310 nan 0.000 0.581 26 I N 1.378 121.932 120.570 -0.028 0.000 2.179 26 I HA -0.046 4.123 4.170 -0.001 0.000 0.242 26 I C 1.304 177.194 176.117 -0.379 0.000 1.088 26 I CA 1.762 62.887 61.300 -0.292 0.000 1.357 26 I CB -1.020 36.542 38.000 -0.729 0.000 1.051 26 I HN 0.220 nan 8.210 nan 0.000 0.409 27 F N -0.386 119.592 119.950 0.045 0.000 2.678 27 F HA 0.178 4.705 4.527 -0.001 0.000 0.305 27 F C 2.036 177.949 175.800 0.188 0.000 1.090 27 F CA 0.007 58.000 58.000 -0.012 0.000 1.272 27 F CB -0.158 38.697 39.000 -0.241 0.000 1.060 27 F HN -0.111 nan 8.300 nan 0.000 0.576 28 S N 0.017 115.902 115.700 0.308 0.000 3.334 28 S HA 0.190 4.659 4.470 -0.001 0.000 0.224 28 S C 1.624 176.331 174.600 0.178 0.000 0.959 28 S CA 0.162 58.507 58.200 0.241 0.000 0.815 28 S CB -0.027 63.254 63.200 0.135 0.000 0.861 28 S HN 0.317 nan 8.310 nan 0.000 0.596 29 I N -0.507 120.111 120.570 0.081 0.000 3.812 29 I HA 0.372 4.542 4.170 -0.001 0.000 0.320 29 I C 1.558 177.783 176.117 0.180 0.000 1.276 29 I CA 0.131 61.425 61.300 -0.010 0.000 1.164 29 I CB -0.270 37.512 38.000 -0.363 0.000 1.009 29 I HN 0.107 nan 8.210 nan 0.000 0.431 30 F N 2.939 122.992 119.950 0.171 0.000 2.161 30 F HA -0.035 4.492 4.527 -0.001 0.000 0.300 30 F C 2.334 178.269 175.800 0.225 0.000 1.089 30 F CA 1.927 60.088 58.000 0.268 0.000 1.282 30 F CB -0.188 38.934 39.000 0.203 0.000 1.010 30 F HN 0.195 nan 8.300 nan 0.000 0.485 31 G N -0.855 108.152 108.800 0.344 0.000 2.422 31 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.218 31 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.218 31 G C 1.621 176.606 174.900 0.142 0.000 1.140 31 G CA 0.979 46.212 45.100 0.223 0.000 0.775 31 G HN 0.299 nan 8.290 nan 0.000 0.545 32 V N 1.184 121.192 119.914 0.157 0.000 2.809 32 V HA 0.042 4.162 4.120 -0.001 0.000 0.256 32 V C 2.885 179.064 176.094 0.141 0.000 1.080 32 V CA 1.605 63.991 62.300 0.143 0.000 1.102 32 V CB -0.359 31.545 31.823 0.134 0.000 0.705 32 V HN 0.416 nan 8.190 nan 0.000 0.475 33 G N -0.584 108.310 108.800 0.156 0.000 2.623 33 G HA2 0.059 4.018 3.960 -0.001 0.000 0.214 33 G HA3 0.059 4.018 3.960 -0.001 0.000 0.214 33 G C 1.632 176.367 174.900 -0.275 0.000 1.138 33 G CA 0.806 45.782 45.100 -0.206 0.000 0.794 33 G HN 0.548 nan 8.290 nan 0.000 0.535 34 A N 1.009 123.742 122.820 -0.145 0.000 1.897 34 A HA 0.103 4.423 4.320 -0.001 0.000 0.215 34 A C 2.140 179.709 177.584 -0.024 0.000 1.181 34 A CA 1.907 53.895 52.037 -0.083 0.000 0.620 34 A CB -0.313 18.700 19.000 0.022 0.000 0.821 34 A HN 0.362 nan 8.150 nan 0.000 0.443 35 K N -0.203 120.203 120.400 0.009 0.000 2.001 35 K HA -0.062 4.257 4.320 -0.001 0.000 0.208 35 K C 1.756 178.369 176.600 0.022 0.000 1.048 35 K CA 1.800 58.107 56.287 0.033 0.000 0.932 35 K CB -0.301 32.234 32.500 0.058 0.000 0.715 35 K HN 0.462 nan 8.250 nan 0.000 0.437 36 I N 0.414 120.984 120.570 -0.001 0.000 2.400 36 I HA -0.084 4.086 4.170 -0.001 0.000 0.248 36 I C 2.417 178.506 176.117 -0.046 0.000 1.109 36 I CA 0.941 62.240 61.300 -0.001 0.000 1.425 36 I CB -0.086 37.894 38.000 -0.033 0.000 1.094 36 I HN 0.253 nan 8.210 nan 0.000 0.425 37 A N 0.181 122.917 122.820 -0.140 0.000 1.956 37 A HA 0.401 4.721 4.320 -0.001 0.000 0.212 37 A C 1.753 179.271 177.584 -0.109 0.000 1.188 37 A CA 1.000 52.931 52.037 -0.176 0.000 0.675 37 A CB -0.716 18.071 19.000 -0.356 0.000 0.845 37 A HN 0.472 nan 8.150 nan 0.000 0.455 38 G N 0.632 109.379 108.800 -0.088 0.000 2.561 38 G HA2 -0.414 3.545 3.960 -0.001 0.000 0.289 38 G HA3 -0.414 3.545 3.960 -0.001 0.000 0.289 38 G C 1.001 175.900 174.900 -0.003 0.000 1.169 38 G CA 0.918 46.008 45.100 -0.016 0.000 0.980 38 G HN 1.036 nan 8.290 nan 0.000 0.550 39 R N 0.916 121.443 120.500 0.046 0.000 2.280 39 R HA 0.104 4.443 4.340 -0.001 0.000 0.207 39 R C 1.172 177.483 176.300 0.019 0.000 1.043 39 R CA 1.317 57.463 56.100 0.077 0.000 1.006 39 R CB -0.227 30.131 30.300 0.096 0.000 0.885 39 R HN 0.333 nan 8.270 nan 0.000 0.467 40 N N 1.066 119.746 118.700 -0.032 0.000 2.362 40 N HA 0.001 4.741 4.740 -0.001 0.000 0.211 40 N C 1.004 176.437 175.510 -0.127 0.000 1.170 40 N CA 0.058 53.070 53.050 -0.063 0.000 0.828 40 N CB 0.480 38.926 38.487 -0.068 0.000 1.034 40 N HN 0.182 nan 8.380 nan 0.000 0.475 41 L N 1.638 122.775 121.223 -0.143 0.000 2.056 41 L HA 0.075 4.414 4.340 -0.001 0.000 0.207 41 L C -0.921 175.878 176.870 -0.119 0.000 1.078 41 L CA 1.752 56.432 54.840 -0.267 0.000 0.749 41 L CB -0.980 40.902 42.059 -0.295 0.000 0.901 41 L HN -0.002 nan 8.230 nan 0.000 0.433 42 P HA -0.160 nan 4.420 nan 0.000 0.216 42 P C 1.138 178.485 177.300 0.078 0.000 1.150 42 P CA 1.357 64.549 63.100 0.152 0.000 0.837 42 P CB 0.089 31.858 31.700 0.115 0.000 0.786 43 E N -1.334 118.857 120.200 -0.015 0.000 2.106 43 E HA -0.098 4.251 4.350 -0.001 0.000 0.192 43 E C 2.002 178.533 176.600 -0.114 0.000 0.984 43 E CA 1.349 57.716 56.400 -0.056 0.000 0.806 43 E CB -1.447 28.213 29.700 -0.067 0.000 0.750 43 E HN 0.187 nan 8.360 nan 0.000 0.458 44 T N 0.511 114.940 114.554 -0.209 0.000 2.720 44 T HA -0.146 4.203 4.350 -0.001 0.000 0.268 44 T C 1.337 175.862 174.700 -0.293 0.000 1.037 44 T CA 1.141 63.032 62.100 -0.348 0.000 1.144 44 T CB -0.379 68.104 68.868 -0.642 0.000 0.864 44 T HN 0.072 nan 8.240 nan 0.000 0.444 45 F N 0.702 120.585 119.950 -0.110 0.000 2.186 45 F HA 0.141 4.668 4.527 -0.001 0.000 0.299 45 F C 2.106 177.938 175.800 0.053 0.000 1.090 45 F CA 0.159 58.183 58.000 0.040 0.000 1.307 45 F CB -0.631 38.423 39.000 0.090 0.000 1.019 45 F HN 0.142 nan 8.300 nan 0.000 0.489 46 I N -0.940 119.699 120.570 0.115 0.000 2.202 46 I HA -0.275 3.895 4.170 -0.001 0.000 0.242 46 I C 2.356 178.361 176.117 -0.187 0.000 1.091 46 I CA 0.825 62.100 61.300 -0.042 0.000 1.368 46 I CB -0.442 37.519 38.000 -0.066 0.000 1.058 46 I HN 0.072 nan 8.210 nan 0.000 0.410 47 L N 0.245 121.321 121.223 -0.244 0.000 2.046 47 L HA -0.182 4.157 4.340 -0.001 0.000 0.208 47 L C 2.565 178.915 176.870 -0.866 0.000 1.077 47 L CA 1.839 56.385 54.840 -0.489 0.000 0.747 47 L CB -0.586 41.250 42.059 -0.371 0.000 0.896 47 L HN 0.085 nan 8.230 nan 0.000 0.432 48 S N -0.539 114.894 115.700 -0.445 0.000 2.383 48 S HA -0.079 4.390 4.470 -0.001 0.000 0.227 48 S C 1.892 176.207 174.600 -0.475 0.000 1.026 48 S CA 0.931 58.967 58.200 -0.274 0.000 0.981 48 S CB -0.755 62.578 63.200 0.221 0.000 0.818 48 S HN 0.678 nan 8.310 nan 0.000 0.472 49 G N 2.089 110.593 108.800 -0.493 0.000 2.422 49 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.218 49 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.218 49 G C 1.258 175.833 174.900 -0.542 0.000 1.146 49 G CA 0.553 45.156 45.100 -0.829 0.000 0.769 49 G HN 0.385 nan 8.290 nan 0.000 0.547 50 I N 0.411 120.706 120.570 -0.459 0.000 2.179 50 I HA -0.117 4.052 4.170 -0.001 0.000 0.242 50 I C 2.553 178.531 176.117 -0.231 0.000 1.088 50 I CA 0.678 61.785 61.300 -0.323 0.000 1.357 50 I CB -1.422 36.378 38.000 -0.332 0.000 1.051 50 I HN 0.168 nan 8.210 nan 0.000 0.409 51 Y N 1.378 121.499 120.300 -0.300 0.000 2.165 51 Y HA -0.146 4.403 4.550 -0.001 0.000 0.286 51 Y C 2.752 178.512 175.900 -0.233 0.000 1.155 51 Y CA 0.896 58.782 58.100 -0.357 0.000 1.164 51 Y CB -1.558 36.384 38.460 -0.862 0.000 0.978 51 Y HN 0.138 nan 8.280 nan 0.000 0.513 52 A N 0.089 122.796 122.820 -0.188 0.000 1.933 52 A HA -0.130 4.190 4.320 -0.001 0.000 0.218 52 A C 2.299 179.970 177.584 0.146 0.000 1.175 52 A CA 1.562 53.619 52.037 0.033 0.000 0.628 52 A CB -1.127 17.708 19.000 -0.275 0.000 0.814 52 A HN 0.478 nan 8.150 nan 0.000 0.444 53 L N -0.697 120.543 121.223 0.029 0.000 2.217 53 L HA -0.094 4.246 4.340 -0.001 0.000 0.211 53 L C 2.366 179.362 176.870 0.210 0.000 1.107 53 L CA 0.565 55.490 54.840 0.142 0.000 0.783 53 L CB -0.393 41.722 42.059 0.094 0.000 0.919 53 L HN 0.364 nan 8.230 nan 0.000 0.442 54 L N -1.232 120.095 121.223 0.173 0.000 2.109 54 L HA -0.142 4.198 4.340 -0.001 0.000 0.207 54 L C 2.427 179.443 176.870 0.244 0.000 1.086 54 L CA 0.608 55.572 54.840 0.207 0.000 0.760 54 L CB -0.425 41.737 42.059 0.172 0.000 0.910 54 L HN 0.060 nan 8.230 nan 0.000 0.437 55 V N 0.018 120.046 119.914 0.191 0.000 2.453 55 V HA -0.185 3.935 4.120 -0.001 0.000 0.247 55 V C 2.749 178.918 176.094 0.124 0.000 1.048 55 V CA 1.547 63.882 62.300 0.059 0.000 1.049 55 V CB -0.724 30.916 31.823 -0.305 0.000 0.672 55 V HN 0.440 nan 8.190 nan 0.000 0.457 56 A N -0.758 122.231 122.820 0.281 0.000 1.978 56 A HA -0.289 4.030 4.320 -0.001 0.000 0.220 56 A C 2.139 179.890 177.584 0.279 0.000 1.170 56 A CA 2.022 54.303 52.037 0.406 0.000 0.636 56 A CB -0.804 18.449 19.000 0.422 0.000 0.810 56 A HN 0.634 nan 8.150 nan 0.000 0.448 57 Y N 1.019 121.399 120.300 0.133 0.000 2.207 57 Y HA -0.207 4.342 4.550 -0.001 0.000 0.287 57 Y C 2.726 178.595 175.900 -0.053 0.000 1.156 57 Y CA 1.759 59.898 58.100 0.064 0.000 1.182 57 Y CB -0.256 38.276 38.460 0.120 0.000 0.979 57 Y HN 0.312 nan 8.280 nan 0.000 0.521 58 S N -1.123 114.578 115.700 0.002 0.000 2.362 58 S HA -0.131 4.338 4.470 -0.001 0.000 0.221 58 S C 1.684 176.018 174.600 -0.443 0.000 1.032 58 S CA 1.009 59.008 58.200 -0.334 0.000 0.973 58 S CB -0.573 62.635 63.200 0.015 0.000 0.849 58 S HN 0.518 nan 8.310 nan 0.000 0.465 59 Y N 2.417 122.567 120.300 -0.250 0.000 2.128 59 Y HA -0.204 4.346 4.550 -0.001 0.000 0.284 59 Y C 3.176 178.957 175.900 -0.198 0.000 1.154 59 Y CA 1.711 59.711 58.100 -0.166 0.000 1.149 59 Y CB -1.061 37.461 38.460 0.103 0.000 0.976 59 Y HN 0.419 nan 8.280 nan 0.000 0.505 60 T N -2.284 112.274 114.554 0.006 0.000 2.821 60 T HA -0.138 4.211 4.350 -0.001 0.000 0.267 60 T C 1.868 176.435 174.700 -0.222 0.000 1.046 60 T CA 1.121 63.182 62.100 -0.066 0.000 1.139 60 T CB -0.106 68.719 68.868 -0.070 0.000 0.871 60 T HN 0.068 nan 8.240 nan 0.000 0.454 61 K N 1.123 121.276 120.400 -0.412 0.000 2.062 61 K HA 0.200 4.520 4.320 -0.001 0.000 0.205 61 K C 2.362 178.702 176.600 -0.433 0.000 1.051 61 K CA 0.803 56.812 56.287 -0.463 0.000 0.941 61 K CB -0.632 31.444 32.500 -0.706 0.000 0.719 61 K HN 0.402 nan 8.250 nan 0.000 0.440 62 L N -0.139 120.705 121.223 -0.633 0.000 2.072 62 L HA -0.059 4.281 4.340 -0.001 0.000 0.205 62 L C 2.311 178.869 176.870 -0.520 0.000 1.079 62 L CA 1.309 55.680 54.840 -0.781 0.000 0.752 62 L CB -0.595 40.506 42.059 -1.597 0.000 0.906 62 L HN 0.231 nan 8.230 nan 0.000 0.436 63 G N -0.964 107.641 108.800 -0.326 0.000 2.679 63 G HA2 -0.014 3.946 3.960 -0.001 0.000 0.212 63 G HA3 -0.014 3.946 3.960 -0.001 0.000 0.212 63 G C 1.468 176.400 174.900 0.052 0.000 1.137 63 G CA 0.632 45.787 45.100 0.091 0.000 0.787 63 G HN 0.433 nan 8.290 nan 0.000 0.534 64 A N -0.130 122.663 122.820 -0.044 0.000 2.195 64 A HA 0.313 4.633 4.320 -0.001 0.000 0.210 64 A C 2.159 179.732 177.584 -0.018 0.000 1.165 64 A CA 0.706 52.725 52.037 -0.030 0.000 0.806 64 A CB 0.142 19.101 19.000 -0.068 0.000 0.847 64 A HN 0.192 nan 8.150 nan 0.000 0.482 65 K N -0.941 119.445 120.400 -0.024 0.000 2.424 65 K HA 0.368 4.688 4.320 -0.001 0.000 0.198 65 K C -0.250 176.372 176.600 0.037 0.000 1.190 65 K CA 0.357 56.640 56.287 -0.007 0.000 0.935 65 K CB 0.568 33.043 32.500 -0.041 0.000 1.087 65 K HN 0.399 nan 8.250 nan 0.000 0.524 66 I N 2.629 123.248 120.570 0.081 0.000 2.359 66 I HA 0.172 4.341 4.170 -0.001 0.000 0.284 66 I C -0.646 175.604 176.117 0.222 0.000 1.018 66 I CA -0.773 60.618 61.300 0.151 0.000 1.173 66 I CB 1.789 39.905 38.000 0.194 0.000 1.326 66 I HN -0.344 nan 8.210 nan 0.000 0.462 67 V N 5.221 125.231 119.914 0.159 0.000 2.370 67 V HA 0.559 4.678 4.120 -0.001 0.000 0.279 67 V C 0.034 176.203 176.094 0.125 0.000 1.029 67 V CA -0.097 62.284 62.300 0.135 0.000 0.870 67 V CB 1.399 33.279 31.823 0.095 0.000 0.984 67 V HN 0.777 nan 8.190 nan 0.000 0.451 68 S N 3.643 119.400 115.700 0.094 0.000 2.560 68 S HA 0.316 4.785 4.470 -0.001 0.000 0.283 68 S C 0.412 175.053 174.600 0.067 0.000 1.141 68 S CA -0.691 57.555 58.200 0.077 0.000 0.902 68 S CB 1.475 64.727 63.200 0.085 0.000 1.104 68 S HN 0.653 nan 8.310 nan 0.000 0.454 69 N N 2.249 121.009 118.700 0.101 0.000 2.520 69 N HA -0.007 4.732 4.740 -0.001 0.000 0.185 69 N C 1.676 177.247 175.510 0.103 0.000 1.068 69 N CA 1.146 54.279 53.050 0.138 0.000 0.911 69 N CB -0.269 38.357 38.487 0.232 0.000 0.961 69 N HN 0.683 nan 8.380 nan 0.000 0.446 70 A N 0.249 123.105 122.820 0.059 0.000 2.066 70 A HA 0.271 4.590 4.320 -0.001 0.000 0.218 70 A C 1.545 179.114 177.584 -0.026 0.000 1.157 70 A CA 1.326 53.385 52.037 0.035 0.000 0.670 70 A CB -0.566 18.457 19.000 0.037 0.000 0.804 70 A HN 0.383 nan 8.150 nan 0.000 0.453 71 G N -0.478 108.261 108.800 -0.101 0.000 2.536 71 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.280 71 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.280 71 G C -0.835 173.700 174.900 -0.608 0.000 1.152 71 G CA 0.363 45.355 45.100 -0.181 0.000 0.970 71 G HN 0.352 nan 8.290 nan 0.000 0.549 72 P HA 0.058 nan 4.420 nan 0.000 0.222 72 P C 1.990 179.153 177.300 -0.228 0.000 1.147 72 P CA 1.533 64.469 63.100 -0.273 0.000 0.790 72 P CB -0.056 31.701 31.700 0.096 0.000 0.780 73 I N 0.085 120.543 120.570 -0.187 0.000 2.546 73 I HA -0.103 4.067 4.170 -0.001 0.000 0.255 73 I C 2.450 178.502 176.117 -0.108 0.000 1.163 73 I CA 0.793 62.005 61.300 -0.147 0.000 1.457 73 I CB -1.916 36.002 38.000 -0.136 0.000 1.092 73 I HN -0.071 nan 8.210 nan 0.000 0.434 74 A N 1.206 123.918 122.820 -0.180 0.000 1.873 74 A HA -0.170 4.149 4.320 -0.001 0.000 0.215 74 A C 2.070 179.601 177.584 -0.088 0.000 1.186 74 A CA 1.233 53.241 52.037 -0.047 0.000 0.616 74 A CB -0.872 18.075 19.000 -0.089 0.000 0.823 74 A HN 0.256 nan 8.150 nan 0.000 0.442 75 F N 0.159 120.057 119.950 -0.088 0.000 2.126 75 F HA -0.147 4.380 4.527 -0.001 0.000 0.299 75 F C 2.132 177.886 175.800 -0.076 0.000 1.096 75 F CA 0.748 58.669 58.000 -0.133 0.000 1.255 75 F CB -1.107 37.804 39.000 -0.148 0.000 0.997 75 F HN 0.113 nan 8.300 nan 0.000 0.479 76 I N -1.030 119.618 120.570 0.131 0.000 2.252 76 I HA -0.284 3.885 4.170 -0.001 0.000 0.245 76 I C 2.707 178.860 176.117 0.060 0.000 1.102 76 I CA 1.409 62.755 61.300 0.077 0.000 1.385 76 I CB -0.563 37.443 38.000 0.009 0.000 1.064 76 I HN 0.209 nan 8.210 nan 0.000 0.414 77 H N 1.343 120.414 119.070 0.001 0.000 2.428 77 H HA -0.150 4.405 4.556 -0.001 0.000 0.296 77 H C 2.027 177.425 175.328 0.116 0.000 1.062 77 H CA 1.425 57.514 56.048 0.068 0.000 1.350 77 H CB 0.280 30.133 29.762 0.152 0.000 1.403 77 H HN 0.068 nan 8.280 nan 0.000 0.533 78 K N 0.712 121.203 120.400 0.151 0.000 2.283 78 K HA 0.009 4.328 4.320 -0.001 0.000 0.202 78 K C 1.942 178.535 176.600 -0.012 0.000 1.048 78 K CA 1.078 57.367 56.287 0.004 0.000 0.948 78 K CB -0.179 32.134 32.500 -0.313 0.000 0.742 78 K HN 0.301 nan 8.250 nan 0.000 0.458 79 A N 0.377 123.194 122.820 -0.006 0.000 1.881 79 A HA 0.160 4.479 4.320 -0.001 0.000 0.210 79 A C 1.774 179.345 177.584 -0.023 0.000 1.239 79 A CA 0.971 53.005 52.037 -0.006 0.000 0.629 79 A CB -0.234 18.783 19.000 0.028 0.000 0.906 79 A HN 0.379 nan 8.150 nan 0.000 0.460 80 I N -3.807 116.743 120.570 -0.034 0.000 3.974 80 I HA 0.559 4.729 4.170 -0.001 0.000 0.334 80 I C 0.874 176.926 176.117 -0.110 0.000 1.437 80 I CA 0.096 61.370 61.300 -0.042 0.000 1.113 80 I CB -0.079 37.924 38.000 0.005 0.000 1.063 80 I HN 0.507 nan 8.210 nan 0.000 0.400 81 G N 2.308 110.966 108.800 -0.235 0.000 2.601 81 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.252 81 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.252 81 G C -0.791 173.886 174.900 -0.371 0.000 1.294 81 G CA 0.409 45.246 45.100 -0.439 0.000 0.912 81 G HN 0.647 nan 8.290 nan 0.000 0.574 82 D N 0.839 121.144 120.400 -0.159 0.000 2.233 82 D HA 0.594 5.233 4.640 -0.001 0.000 0.240 82 D C 0.335 176.683 176.300 0.080 0.000 1.074 82 D CA 0.175 54.245 54.000 0.117 0.000 0.838 82 D CB 0.517 41.503 40.800 0.310 0.000 1.124 82 D HN 0.933 nan 8.370 nan 0.000 0.475 83 N N 1.292 120.043 118.700 0.085 0.000 3.339 83 N HA 0.126 4.865 4.740 -0.001 0.000 0.275 83 N C 0.529 176.075 175.510 0.060 0.000 1.514 83 N CA -0.665 52.420 53.050 0.059 0.000 0.879 83 N CB 0.022 38.521 38.487 0.020 0.000 1.557 83 N HN 0.237 nan 8.380 nan 0.000 0.524 84 I N -2.301 118.297 120.570 0.047 0.000 2.614 84 I HA -0.023 4.146 4.170 -0.001 0.000 0.258 84 I C 0.921 177.036 176.117 -0.004 0.000 1.189 84 I CA 0.718 62.046 61.300 0.048 0.000 1.462 84 I CB -0.382 37.648 38.000 0.050 0.000 1.092 84 I HN 0.391 nan 8.210 nan 0.000 0.442 85 I N 2.016 122.558 120.570 -0.047 0.000 2.133 85 I HA -0.204 3.966 4.170 -0.001 0.000 0.238 85 I C 2.658 178.637 176.117 -0.230 0.000 1.074 85 I CA 1.833 63.044 61.300 -0.149 0.000 1.342 85 I CB -1.786 36.129 38.000 -0.143 0.000 1.053 85 I HN 0.295 nan 8.210 nan 0.000 0.404 86 T N 1.030 115.470 114.554 -0.189 0.000 2.720 86 T HA -0.136 4.213 4.350 -0.001 0.000 0.268 86 T C 1.950 176.446 174.700 -0.339 0.000 1.037 86 T CA 1.628 63.567 62.100 -0.268 0.000 1.144 86 T CB -0.833 67.907 68.868 -0.213 0.000 0.864 86 T HN 0.551 nan 8.240 nan 0.000 0.444 87 G N 0.989 109.704 108.800 -0.142 0.000 2.418 87 G HA2 -0.011 3.948 3.960 -0.001 0.000 0.217 87 G HA3 -0.011 3.948 3.960 -0.001 0.000 0.217 87 G C 1.835 176.758 174.900 0.039 0.000 1.158 87 G CA 0.834 45.972 45.100 0.063 0.000 0.771 87 G HN 0.591 nan 8.290 nan 0.000 0.545 88 A N 0.401 123.222 122.820 0.001 0.000 1.930 88 A HA 0.158 4.477 4.320 -0.001 0.000 0.217 88 A C 2.394 179.956 177.584 -0.036 0.000 1.175 88 A CA 1.054 53.101 52.037 0.017 0.000 0.627 88 A CB -0.343 18.663 19.000 0.011 0.000 0.815 88 A HN 0.349 nan 8.150 nan 0.000 0.443 89 L N 0.350 121.484 121.223 -0.148 0.000 2.141 89 L HA -0.165 4.174 4.340 -0.001 0.000 0.209 89 L C 2.996 179.812 176.870 -0.090 0.000 1.094 89 L CA 1.467 56.204 54.840 -0.172 0.000 0.763 89 L CB -0.298 41.575 42.059 -0.309 0.000 0.908 89 L HN 0.629 nan 8.230 nan 0.000 0.437 90 S N -0.166 115.477 115.700 -0.096 0.000 2.387 90 S HA -0.099 4.370 4.470 -0.001 0.000 0.226 90 S C 1.895 176.555 174.600 0.100 0.000 1.026 90 S CA 0.709 58.902 58.200 -0.011 0.000 0.972 90 S CB -0.467 62.721 63.200 -0.019 0.000 0.814 90 S HN 0.374 nan 8.310 nan 0.000 0.477 91 I N 0.736 121.370 120.570 0.106 0.000 2.353 91 I HA -0.050 4.119 4.170 -0.001 0.000 0.248 91 I C 2.452 178.679 176.117 0.183 0.000 1.119 91 I CA 0.668 62.083 61.300 0.192 0.000 1.417 91 I CB -0.360 37.740 38.000 0.167 0.000 1.078 91 I HN 0.278 nan 8.210 nan 0.000 0.421 92 L N 0.581 121.844 121.223 0.066 0.000 2.042 92 L HA -0.214 4.125 4.340 -0.001 0.000 0.210 92 L C 2.299 179.128 176.870 -0.069 0.000 1.076 92 L CA 1.681 56.509 54.840 -0.021 0.000 0.749 92 L CB -0.546 41.508 42.059 -0.008 0.000 0.893 92 L HN 0.163 nan 8.230 nan 0.000 0.432 93 L N -1.405 119.825 121.223 0.013 0.000 2.042 93 L HA -0.236 4.103 4.340 -0.001 0.000 0.210 93 L C 2.231 179.195 176.870 0.157 0.000 1.076 93 L CA 2.053 56.920 54.840 0.045 0.000 0.749 93 L CB -0.888 41.254 42.059 0.139 0.000 0.893 93 L HN 0.581 nan 8.230 nan 0.000 0.432 94 W N -0.426 120.922 121.300 0.079 0.000 2.358 94 W HA -0.223 4.436 4.660 -0.001 0.000 0.303 94 W C 2.206 178.754 176.519 0.049 0.000 1.208 94 W CA 1.532 58.971 57.345 0.158 0.000 1.274 94 W CB -0.249 29.276 29.460 0.109 0.000 1.138 94 W HN 0.100 nan 8.180 nan 0.000 0.515 95 M N 0.948 120.353 119.600 -0.325 0.000 2.159 95 M HA -0.182 4.297 4.480 -0.001 0.000 0.263 95 M C 2.469 178.395 176.300 -0.623 0.000 1.063 95 M CA 2.102 57.015 55.300 -0.646 0.000 1.110 95 M CB -2.016 30.295 32.600 -0.482 0.000 1.374 95 M HN 0.320 nan 8.290 nan 0.000 0.411 96 S N -0.187 115.175 115.700 -0.564 0.000 2.400 96 S HA -0.194 4.275 4.470 -0.001 0.000 0.232 96 S C 1.911 176.131 174.600 -0.634 0.000 1.025 96 S CA 1.171 58.879 58.200 -0.821 0.000 0.993 96 S CB -0.780 61.750 63.200 -1.118 0.000 0.808 96 S HN 0.444 nan 8.310 nan 0.000 0.478 97 Y N 1.567 121.692 120.300 -0.291 0.000 2.220 97 Y HA 0.087 4.637 4.550 -0.001 0.000 0.291 97 Y C 2.843 178.582 175.900 -0.269 0.000 1.129 97 Y CA 0.644 58.650 58.100 -0.157 0.000 1.161 97 Y CB -0.909 37.525 38.460 -0.043 0.000 0.997 97 Y HN 0.103 nan 8.280 nan 0.000 0.522 98 V N 0.581 120.283 119.914 -0.352 0.000 2.252 98 V HA -0.342 3.777 4.120 -0.001 0.000 0.249 98 V C 2.148 177.983 176.094 -0.432 0.000 1.056 98 V CA 2.248 64.260 62.300 -0.480 0.000 1.022 98 V CB -0.762 30.553 31.823 -0.847 0.000 0.641 98 V HN 0.380 nan 8.190 nan 0.000 0.445 99 I N -0.186 120.036 120.570 -0.580 0.000 2.493 99 I HA -0.159 4.010 4.170 -0.001 0.000 0.254 99 I C 2.433 178.359 176.117 -0.319 0.000 1.160 99 I CA 1.221 62.193 61.300 -0.547 0.000 1.445 99 I CB -0.409 37.172 38.000 -0.698 0.000 1.086 99 I HN 0.213 nan 8.210 nan 0.000 0.433 100 S N 0.923 116.463 115.700 -0.266 0.000 2.383 100 S HA -0.058 4.411 4.470 -0.001 0.000 0.227 100 S C 2.012 176.528 174.600 -0.140 0.000 1.026 100 S CA 1.098 59.162 58.200 -0.226 0.000 0.981 100 S CB -0.258 62.922 63.200 -0.033 0.000 0.818 100 S HN 0.345 nan 8.310 nan 0.000 0.472 101 I N 1.887 122.473 120.570 0.027 0.000 2.226 101 I HA -0.227 3.942 4.170 -0.001 0.000 0.245 101 I C 2.693 178.841 176.117 0.053 0.000 1.100 101 I CA 1.115 62.485 61.300 0.116 0.000 1.374 101 I CB -0.506 37.505 38.000 0.018 0.000 1.057 101 I HN 0.257 nan 8.210 nan 0.000 0.413 102 A N 0.677 123.484 122.820 -0.021 0.000 1.883 102 A HA -0.236 4.083 4.320 -0.001 0.000 0.217 102 A C 2.309 179.894 177.584 0.002 0.000 1.186 102 A CA 1.714 53.761 52.037 0.017 0.000 0.624 102 A CB -0.918 18.110 19.000 0.048 0.000 0.822 102 A HN 0.395 nan 8.150 nan 0.000 0.444 103 L N -1.700 119.455 121.223 -0.114 0.000 2.042 103 L HA -0.128 4.212 4.340 -0.001 0.000 0.210 103 L C 2.195 178.983 176.870 -0.136 0.000 1.076 103 L CA 1.880 56.606 54.840 -0.190 0.000 0.749 103 L CB -0.413 41.409 42.059 -0.395 0.000 0.893 103 L HN 0.371 nan 8.230 nan 0.000 0.432 104 F N -0.630 119.340 119.950 0.034 0.000 2.259 104 F HA -0.025 4.501 4.527 -0.001 0.000 0.298 104 F C 2.449 178.294 175.800 0.076 0.000 1.088 104 F CA 0.774 58.801 58.000 0.045 0.000 1.358 104 F CB -1.326 37.659 39.000 -0.025 0.000 1.040 104 F HN 0.143 nan 8.300 nan 0.000 0.505 105 A N 0.099 123.044 122.820 0.210 0.000 1.877 105 A HA -0.211 4.108 4.320 -0.001 0.000 0.216 105 A C 2.291 180.006 177.584 0.217 0.000 1.186 105 A CA 1.734 53.871 52.037 0.167 0.000 0.620 105 A CB -0.669 18.393 19.000 0.103 0.000 0.822 105 A HN 0.286 nan 8.150 nan 0.000 0.443 106 K N -0.965 119.538 120.400 0.173 0.000 2.057 106 K HA -0.108 4.211 4.320 -0.001 0.000 0.207 106 K C 2.106 178.835 176.600 0.214 0.000 1.049 106 K CA 1.154 57.543 56.287 0.169 0.000 0.931 106 K CB -0.470 32.104 32.500 0.123 0.000 0.714 106 K HN 0.477 nan 8.250 nan 0.000 0.440 107 G N 0.432 109.378 108.800 0.244 0.000 2.422 107 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.218 107 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.218 107 G C 1.326 176.446 174.900 0.367 0.000 1.146 107 G CA 0.459 45.746 45.100 0.312 0.000 0.769 107 G HN 0.260 nan 8.290 nan 0.000 0.547 108 F N 2.280 122.345 119.950 0.191 0.000 2.102 108 F HA 0.089 4.615 4.527 -0.001 0.000 0.298 108 F C 2.799 178.709 175.800 0.184 0.000 1.105 108 F CA 1.428 59.512 58.000 0.140 0.000 1.239 108 F CB -0.217 38.819 39.000 0.059 0.000 0.991 108 F HN 0.214 nan 8.300 nan 0.000 0.474 109 A N 0.158 123.154 122.820 0.293 0.000 1.933 109 A HA -0.057 4.262 4.320 -0.001 0.000 0.218 109 A C 2.406 180.075 177.584 0.142 0.000 1.175 109 A CA 1.504 53.675 52.037 0.223 0.000 0.628 109 A CB -1.820 17.315 19.000 0.225 0.000 0.814 109 A HN 0.501 nan 8.150 nan 0.000 0.444 110 G N -2.743 106.139 108.800 0.137 0.000 2.498 110 G HA2 -0.087 3.873 3.960 -0.001 0.000 0.219 110 G HA3 -0.087 3.873 3.960 -0.001 0.000 0.219 110 G C 1.153 175.970 174.900 -0.137 0.000 1.119 110 G CA 1.127 46.246 45.100 0.031 0.000 0.766 110 G HN 0.600 nan 8.290 nan 0.000 0.552 111 Y N -2.564 117.704 120.300 -0.053 0.000 2.430 111 Y HA 0.339 4.888 4.550 -0.001 0.000 0.254 111 Y C 1.776 177.569 175.900 -0.179 0.000 1.088 111 Y CA -0.978 57.042 58.100 -0.134 0.000 1.267 111 Y CB 0.224 38.565 38.460 -0.199 0.000 1.204 111 Y HN 0.141 nan 8.280 nan 0.000 0.515 112 F N 0.513 120.314 119.950 -0.249 0.000 2.149 112 F HA -0.090 4.436 4.527 -0.000 0.000 0.294 112 F C 1.594 177.315 175.800 -0.132 0.000 1.095 112 F CA 1.612 59.427 58.000 -0.309 0.000 1.276 112 F CB -0.429 38.310 39.000 -0.434 0.000 1.023 112 F HN -0.118 nan 8.300 nan 0.000 0.480 113 L N 0.329 121.502 121.223 -0.082 0.000 2.005 113 L HA -0.077 4.263 4.340 -0.001 0.000 0.207 113 L C -0.641 176.161 176.870 -0.113 0.000 1.072 113 L CA 0.945 55.710 54.840 -0.125 0.000 0.744 113 L CB -2.260 39.804 42.059 0.008 0.000 0.895 113 L HN 0.023 nan 8.230 nan 0.000 0.433 114 P HA -0.119 nan 4.420 nan 0.000 0.236 114 P C 1.264 178.613 177.300 0.081 0.000 1.172 114 P CA 0.862 63.964 63.100 0.004 0.000 0.759 114 P CB 0.179 31.880 31.700 0.001 0.000 0.843 115 L N -0.820 120.377 121.223 -0.043 0.000 2.262 115 L HA 0.224 4.563 4.340 -0.001 0.000 0.197 115 L C 1.105 177.921 176.870 -0.089 0.000 1.073 115 L CA 0.648 55.468 54.840 -0.034 0.000 0.800 115 L CB -0.559 41.404 42.059 -0.160 0.000 0.987 115 L HN -0.185 nan 8.230 nan 0.000 0.470 119 P HA 0.762 nan 4.420 nan 0.000 0.278 119 P C -0.992 176.333 177.300 0.041 0.000 1.266 119 P CA -0.314 62.801 63.100 0.025 0.000 0.807 119 P CB 0.673 32.390 31.700 0.029 0.000 1.094 120 I N 2.236 122.831 120.570 0.042 0.000 2.420 120 I HA 0.342 4.511 4.170 -0.001 0.000 0.282 120 I C -0.059 176.094 176.117 0.060 0.000 1.019 120 I CA -0.141 61.191 61.300 0.053 0.000 1.130 120 I CB 0.792 38.816 38.000 0.040 0.000 1.262 120 I HN 0.359 nan 8.210 nan 0.000 0.454 121 N N 1.896 120.644 118.700 0.081 0.000 2.708 121 N HA 0.258 4.998 4.740 -0.001 0.000 0.257 121 N C 0.275 175.851 175.510 0.109 0.000 1.373 121 N CA -0.744 52.359 53.050 0.088 0.000 0.843 121 N CB 0.906 39.447 38.487 0.090 0.000 1.503 121 N HN 0.204 nan 8.380 nan 0.000 0.504 122 T N -0.103 114.513 114.554 0.104 0.000 2.778 122 T HA -0.116 4.233 4.350 -0.001 0.000 0.269 122 T C 1.177 175.939 174.700 0.104 0.000 1.050 122 T CA 1.388 63.542 62.100 0.090 0.000 1.137 122 T CB -0.353 68.559 68.868 0.075 0.000 0.860 122 T HN 0.466 nan 8.240 nan 0.000 0.468 123 F N 1.611 121.580 119.950 0.032 0.000 2.179 123 F HA 0.095 4.622 4.527 0.000 0.000 0.292 123 F C 2.156 177.987 175.800 0.051 0.000 1.089 123 F CA 0.707 58.728 58.000 0.036 0.000 1.295 123 F CB -0.131 38.886 39.000 0.028 0.000 1.041 123 F HN -0.004 nan 8.300 nan 0.000 0.487 124 N N 0.476 119.347 118.700 0.285 0.000 2.149 124 N HA -0.185 4.554 4.740 -0.001 0.000 0.188 124 N C 1.868 177.463 175.510 0.143 0.000 1.019 124 N CA 1.331 54.504 53.050 0.205 0.000 0.857 124 N CB -0.233 38.351 38.487 0.162 0.000 0.997 124 N HN 0.170 nan 8.380 nan 0.000 0.426 125 I N 0.725 121.362 120.570 0.112 0.000 2.142 125 I HA -0.177 3.993 4.170 -0.001 0.000 0.240 125 I C 2.193 178.349 176.117 0.064 0.000 1.078 125 I CA 0.985 62.342 61.300 0.096 0.000 1.343 125 I CB -1.467 36.583 38.000 0.084 0.000 1.046 125 I HN 0.091 nan 8.210 nan 0.000 0.405 126 A N 0.987 123.805 122.820 -0.004 0.000 1.940 126 A HA -0.178 4.142 4.320 -0.001 0.000 0.219 126 A C 2.225 179.774 177.584 -0.059 0.000 1.176 126 A CA 1.267 53.263 52.037 -0.069 0.000 0.631 126 A CB -0.555 18.324 19.000 -0.201 0.000 0.814 126 A HN 0.292 nan 8.150 nan 0.000 0.446 127 I N 0.253 120.800 120.570 -0.038 0.000 2.202 127 I HA -0.166 4.004 4.170 -0.001 0.000 0.242 127 I C 2.465 178.630 176.117 0.080 0.000 1.091 127 I CA 2.091 63.408 61.300 0.029 0.000 1.368 127 I CB -1.894 36.175 38.000 0.115 0.000 1.058 127 I HN 0.288 nan 8.210 nan 0.000 0.410 128 T N 0.249 114.876 114.554 0.122 0.000 2.867 128 T HA -0.141 4.208 4.350 -0.001 0.000 0.268 128 T C 1.771 176.546 174.700 0.125 0.000 1.057 128 T CA 1.090 63.282 62.100 0.155 0.000 1.136 128 T CB -0.143 68.870 68.868 0.242 0.000 0.874 128 T HN 0.404 nan 8.240 nan 0.000 0.466 129 E N 0.629 120.890 120.200 0.102 0.000 2.046 129 E HA 0.021 4.371 4.350 -0.001 0.000 0.190 129 E C 2.175 178.809 176.600 0.056 0.000 0.982 129 E CA 0.753 57.204 56.400 0.086 0.000 0.800 129 E CB -0.199 29.546 29.700 0.076 0.000 0.756 129 E HN 0.435 nan 8.360 nan 0.000 0.449 130 I N 0.941 121.535 120.570 0.040 0.000 2.226 130 I HA -0.188 3.981 4.170 -0.001 0.000 0.245 130 I C 2.516 178.668 176.117 0.059 0.000 1.100 130 I CA 1.185 62.508 61.300 0.039 0.000 1.374 130 I CB -0.468 37.540 38.000 0.014 0.000 1.057 130 I HN 0.174 nan 8.210 nan 0.000 0.413 131 G N 0.793 109.626 108.800 0.055 0.000 2.422 131 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.218 131 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.218 131 G C 1.632 176.565 174.900 0.055 0.000 1.146 131 G CA 0.695 45.831 45.100 0.058 0.000 0.769 131 G HN 0.305 nan 8.290 nan 0.000 0.547 132 I N 0.173 120.741 120.570 -0.003 0.000 2.584 132 I HA 0.061 4.230 4.170 -0.001 0.000 0.255 132 I C 2.646 178.866 176.117 0.172 0.000 1.145 132 I CA 0.515 61.781 61.300 -0.058 0.000 1.462 132 I CB 0.108 37.841 38.000 -0.445 0.000 1.102 132 I HN 0.023 nan 8.210 nan 0.000 0.433 133 V N 1.009 120.993 119.914 0.117 0.000 2.307 133 V HA -0.223 3.896 4.120 -0.001 0.000 0.245 133 V C 2.700 178.912 176.094 0.197 0.000 1.045 133 V CA 1.750 64.132 62.300 0.137 0.000 1.024 133 V CB -1.361 30.505 31.823 0.070 0.000 0.651 133 V HN 0.508 nan 8.190 nan 0.000 0.449 134 A N -0.647 122.278 122.820 0.175 0.000 1.972 134 A HA -0.224 4.095 4.320 -0.001 0.000 0.219 134 A C 2.092 179.812 177.584 0.226 0.000 1.169 134 A CA 1.826 53.970 52.037 0.179 0.000 0.635 134 A CB -0.697 18.388 19.000 0.143 0.000 0.810 134 A HN 0.544 nan 8.150 nan 0.000 0.446 135 F N -0.644 119.369 119.950 0.106 0.000 2.134 135 F HA -0.110 4.417 4.527 -0.000 0.000 0.299 135 F C 1.738 177.541 175.800 0.004 0.000 1.097 135 F CA 1.542 59.578 58.000 0.059 0.000 1.264 135 F CB -0.269 38.716 39.000 -0.026 0.000 1.001 135 F HN 0.214 nan 8.300 nan 0.000 0.479 136 F N 0.028 120.011 119.950 0.055 0.000 2.367 136 F HA -0.094 4.433 4.527 -0.001 0.000 0.298 136 F C 2.386 178.204 175.800 0.031 0.000 1.094 136 F CA 1.487 59.485 58.000 -0.002 0.000 1.409 136 F CB -0.852 38.193 39.000 0.075 0.000 1.064 136 F HN -0.153 nan 8.300 nan 0.000 0.528 137 T N -0.518 114.152 114.554 0.193 0.000 2.821 137 T HA -0.134 4.215 4.350 -0.001 0.000 0.267 137 T C 2.234 177.043 174.700 0.181 0.000 1.046 137 T CA 1.229 63.414 62.100 0.141 0.000 1.139 137 T CB -0.446 68.519 68.868 0.162 0.000 0.871 137 T HN 0.275 nan 8.240 nan 0.000 0.454 138 A N 0.843 123.757 122.820 0.157 0.000 2.067 138 A HA 0.201 4.521 4.320 -0.001 0.000 0.217 138 A C 2.106 179.717 177.584 0.044 0.000 1.156 138 A CA 0.499 52.692 52.037 0.260 0.000 0.683 138 A CB -0.596 18.555 19.000 0.251 0.000 0.808 138 A HN 0.368 nan 8.150 nan 0.000 0.455 139 L N 0.613 121.600 121.223 -0.393 0.000 2.265 139 L HA -0.150 4.189 4.340 -0.001 0.000 0.215 139 L C 1.946 178.379 176.870 -0.728 0.000 1.117 139 L CA 1.939 56.209 54.840 -0.951 0.000 0.782 139 L CB -0.763 40.748 42.059 -0.914 0.000 0.914 139 L HN 0.534 nan 8.230 nan 0.000 0.441 140 N N -0.796 117.637 118.700 -0.445 0.000 2.205 140 N HA -0.246 4.494 4.740 -0.001 0.000 0.186 140 N C 1.328 176.489 175.510 -0.582 0.000 1.015 140 N CA 1.730 54.434 53.050 -0.576 0.000 0.862 140 N CB -0.186 37.979 38.487 -0.536 0.000 0.986 140 N HN 0.394 nan 8.380 nan 0.000 0.429 141 F N -1.442 118.447 119.950 -0.102 0.000 2.727 141 F HA 0.227 4.753 4.527 -0.001 0.000 0.302 141 F C 0.844 176.705 175.800 0.100 0.000 1.097 141 F CA -0.082 57.934 58.000 0.026 0.000 1.330 141 F CB 0.087 39.148 39.000 0.102 0.000 1.084 141 F HN 0.145 nan 8.300 nan 0.000 0.578 142 F N -3.253 116.701 119.950 0.007 0.000 2.764 142 F HA 0.549 5.075 4.527 -0.001 0.000 0.342 142 F C 1.270 177.017 175.800 -0.087 0.000 0.873 142 F CA 0.363 58.347 58.000 -0.028 0.000 1.086 142 F CB 0.096 39.087 39.000 -0.015 0.000 0.937 142 F HN -0.267 nan 8.300 nan 0.000 0.623 143 G N 0.538 108.866 108.800 -0.787 0.000 4.750 143 G HA2 0.158 4.117 3.960 -0.001 0.000 0.266 143 G HA3 0.158 4.117 3.960 -0.001 0.000 0.266 143 G C 0.867 175.457 174.900 -0.518 0.000 1.000 143 G CA 0.360 45.132 45.100 -0.546 0.000 0.776 143 G HN 0.359 nan 8.290 nan 0.000 0.357 144 S N 0.747 116.088 115.700 -0.599 0.000 2.383 144 S HA -0.063 4.407 4.470 -0.001 0.000 0.227 144 S C 2.000 176.396 174.600 -0.341 0.000 1.026 144 S CA 1.180 59.021 58.200 -0.597 0.000 0.981 144 S CB -0.097 62.395 63.200 -1.181 0.000 0.818 144 S HN 0.340 nan 8.310 nan 0.000 0.472 145 K N 1.689 121.930 120.400 -0.266 0.000 2.057 145 K HA 0.136 4.455 4.320 -0.001 0.000 0.206 145 K C 2.581 179.128 176.600 -0.088 0.000 1.050 145 K CA 1.097 57.302 56.287 -0.136 0.000 0.935 145 K CB -0.522 31.916 32.500 -0.102 0.000 0.715 145 K HN 0.476 nan 8.250 nan 0.000 0.439 146 A N 1.112 123.871 122.820 -0.102 0.000 1.877 146 A HA -0.123 4.197 4.320 -0.001 0.000 0.216 146 A C 2.388 179.953 177.584 -0.032 0.000 1.186 146 A CA 1.456 53.459 52.037 -0.056 0.000 0.620 146 A CB -0.708 18.265 19.000 -0.046 0.000 0.822 146 A HN 0.064 nan 8.150 nan 0.000 0.443 147 V N 0.065 119.950 119.914 -0.048 0.000 2.407 147 V HA -0.169 3.951 4.120 -0.001 0.000 0.248 147 V C 2.801 178.926 176.094 0.052 0.000 1.055 147 V CA 1.835 64.143 62.300 0.014 0.000 1.049 147 V CB -1.546 30.288 31.823 0.018 0.000 0.662 147 V HN 0.614 nan 8.190 nan 0.000 0.455 148 G N -0.181 108.637 108.800 0.029 0.000 2.450 148 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.220 148 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.220 148 G C 1.748 176.690 174.900 0.069 0.000 1.130 148 G CA 0.557 45.692 45.100 0.059 0.000 0.760 148 G HN 0.447 nan 8.290 nan 0.000 0.557 149 R N 0.136 120.662 120.500 0.042 0.000 2.193 149 R HA 0.164 4.504 4.340 -0.001 0.000 0.213 149 R C 2.682 179.032 176.300 0.084 0.000 1.055 149 R CA 0.780 56.908 56.100 0.047 0.000 0.995 149 R CB -0.063 30.244 30.300 0.011 0.000 0.893 149 R HN 0.357 nan 8.270 nan 0.000 0.459 150 A N 0.752 123.626 122.820 0.089 0.000 2.132 150 A HA -0.017 4.302 4.320 -0.001 0.000 0.213 150 A C 1.596 179.297 177.584 0.196 0.000 1.154 150 A CA 0.282 52.394 52.037 0.126 0.000 0.753 150 A CB 0.043 19.087 19.000 0.073 0.000 0.826 150 A HN 0.215 nan 8.150 nan 0.000 0.469 151 E N -0.854 119.451 120.200 0.174 0.000 2.097 151 E HA -0.251 4.098 4.350 -0.001 0.000 0.196 151 E C 1.594 178.309 176.600 0.191 0.000 1.000 151 E CA 1.552 58.053 56.400 0.168 0.000 0.804 151 E CB -0.289 29.505 29.700 0.157 0.000 0.740 151 E HN 0.718 nan 8.360 nan 0.000 0.454 152 F N 0.272 120.286 119.950 0.107 0.000 2.171 152 F HA -0.200 4.327 4.527 -0.001 0.000 0.300 152 F C 2.001 177.873 175.800 0.120 0.000 1.090 152 F CA 1.216 59.280 58.000 0.107 0.000 1.293 152 F CB -0.149 38.916 39.000 0.109 0.000 1.013 152 F HN -0.023 nan 8.300 nan 0.000 0.486 153 F N 0.627 120.656 119.950 0.131 0.000 2.128 153 F HA -0.118 4.408 4.527 -0.001 0.000 0.295 153 F C 2.047 177.813 175.800 -0.056 0.000 1.100 153 F CA 1.626 59.642 58.000 0.028 0.000 1.260 153 F CB -0.607 38.422 39.000 0.050 0.000 1.009 153 F HN -0.080 nan 8.300 nan 0.000 0.476 154 I N -0.571 119.996 120.570 -0.005 0.000 2.264 154 I HA -0.314 3.855 4.170 -0.001 0.000 0.248 154 I C 2.233 178.254 176.117 -0.161 0.000 1.111 154 I CA 1.112 62.351 61.300 -0.101 0.000 1.382 154 I CB -0.604 37.413 38.000 0.028 0.000 1.060 154 I HN 0.016 nan 8.210 nan 0.000 0.418 155 V N 0.792 120.613 119.914 -0.156 0.000 2.307 155 V HA -0.252 3.867 4.120 -0.001 0.000 0.245 155 V C 2.361 178.303 176.094 -0.252 0.000 1.045 155 V CA 1.622 63.817 62.300 -0.175 0.000 1.024 155 V CB -0.422 31.294 31.823 -0.179 0.000 0.651 155 V HN 0.357 nan 8.190 nan 0.000 0.449 156 L N -0.494 120.506 121.223 -0.371 0.000 2.079 156 L HA -0.166 4.174 4.340 -0.001 0.000 0.210 156 L C 2.431 179.108 176.870 -0.322 0.000 1.081 156 L CA 1.148 55.774 54.840 -0.358 0.000 0.752 156 L CB -0.561 41.268 42.059 -0.383 0.000 0.896 156 L HN 0.208 nan 8.230 nan 0.000 0.433 157 V N 0.592 120.248 119.914 -0.429 0.000 2.307 157 V HA -0.273 3.846 4.120 -0.001 0.000 0.245 157 V C 2.484 178.464 176.094 -0.191 0.000 1.045 157 V CA 2.161 64.242 62.300 -0.365 0.000 1.024 157 V CB -0.624 30.893 31.823 -0.509 0.000 0.651 157 V HN 0.590 nan 8.190 nan 0.000 0.449 158 K N 0.401 120.711 120.400 -0.150 0.000 2.283 158 K HA -0.093 4.226 4.320 -0.001 0.000 0.202 158 K C 1.977 178.553 176.600 -0.041 0.000 1.048 158 K CA 1.561 57.813 56.287 -0.058 0.000 0.948 158 K CB -0.395 32.101 32.500 -0.007 0.000 0.742 158 K HN 0.376 nan 8.250 nan 0.000 0.458 159 L N 0.892 122.062 121.223 -0.088 0.000 2.156 159 L HA -0.052 4.288 4.340 -0.001 0.000 0.208 159 L C 2.311 179.138 176.870 -0.070 0.000 1.095 159 L CA 0.715 55.504 54.840 -0.086 0.000 0.770 159 L CB -0.217 41.774 42.059 -0.112 0.000 0.914 159 L HN 0.179 nan 8.230 nan 0.000 0.439 160 L N -0.826 120.352 121.223 -0.075 0.000 2.131 160 L HA -0.141 4.199 4.340 -0.001 0.000 0.206 160 L C 2.373 179.238 176.870 -0.009 0.000 1.087 160 L CA 0.936 55.751 54.840 -0.041 0.000 0.767 160 L CB -0.216 41.809 42.059 -0.057 0.000 0.917 160 L HN 0.178 nan 8.230 nan 0.000 0.441 161 I N -0.181 120.379 120.570 -0.016 0.000 2.179 161 I HA -0.308 3.861 4.170 -0.001 0.000 0.242 161 I C 2.268 178.419 176.117 0.057 0.000 1.088 161 I CA 1.499 62.809 61.300 0.017 0.000 1.357 161 I CB -0.146 37.852 38.000 -0.004 0.000 1.051 161 I HN 0.198 nan 8.210 nan 0.000 0.409 162 L N 0.130 121.367 121.223 0.024 0.000 2.291 162 L HA -0.038 4.301 4.340 -0.001 0.000 0.214 162 L C 2.540 179.425 176.870 0.024 0.000 1.120 162 L CA 0.999 55.849 54.840 0.018 0.000 0.799 162 L CB -0.812 41.205 42.059 -0.070 0.000 0.925 162 L HN 0.287 nan 8.230 nan 0.000 0.446 163 G N 0.081 108.860 108.800 -0.034 0.000 2.408 163 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.217 163 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.217 163 G C 1.551 176.391 174.900 -0.100 0.000 1.150 163 G CA 0.405 45.428 45.100 -0.130 0.000 0.776 163 G HN 0.213 nan 8.290 nan 0.000 0.542 164 L N -0.509 120.749 121.223 0.058 0.000 2.109 164 L HA 0.268 4.607 4.340 -0.001 0.000 0.207 164 L C 2.393 179.368 176.870 0.174 0.000 1.086 164 L CA 1.145 56.065 54.840 0.133 0.000 0.760 164 L CB -0.489 41.649 42.059 0.131 0.000 0.910 164 L HN 0.214 nan 8.230 nan 0.000 0.437 165 F N -0.185 119.795 119.950 0.050 0.000 2.202 165 F HA -0.244 4.282 4.527 -0.001 0.000 0.301 165 F C 2.012 177.863 175.800 0.085 0.000 1.082 165 F CA 1.773 59.858 58.000 0.141 0.000 1.313 165 F CB -0.097 38.952 39.000 0.081 0.000 1.024 165 F HN 0.088 nan 8.300 nan 0.000 0.495 166 I N -0.954 119.612 120.570 -0.006 0.000 2.141 166 I HA -0.274 3.895 4.170 -0.001 0.000 0.236 166 I C 2.132 178.136 176.117 -0.189 0.000 1.071 166 I CA 1.475 62.644 61.300 -0.220 0.000 1.345 166 I CB -0.650 37.072 38.000 -0.463 0.000 1.066 166 I HN 0.007 nan 8.210 nan 0.000 0.406 167 F N 0.521 120.479 119.950 0.014 0.000 2.325 167 F HA -0.067 4.459 4.527 -0.001 0.000 0.299 167 F C 2.544 178.334 175.800 -0.017 0.000 1.090 167 F CA 0.511 58.507 58.000 -0.008 0.000 1.392 167 F CB -0.354 38.651 39.000 0.009 0.000 1.053 167 F HN 0.024 nan 8.300 nan 0.000 0.521 168 A N 0.353 123.281 122.820 0.181 0.000 1.968 168 A HA 0.037 4.356 4.320 -0.001 0.000 0.217 168 A C 2.416 179.995 177.584 -0.009 0.000 1.169 168 A CA 1.378 53.514 52.037 0.167 0.000 0.638 168 A CB -1.319 17.849 19.000 0.281 0.000 0.812 168 A HN 0.370 nan 8.150 nan 0.000 0.446 169 G N -0.419 108.208 108.800 -0.287 0.000 2.484 169 G HA2 -0.001 3.959 3.960 -0.001 0.000 0.218 169 G HA3 -0.001 3.959 3.960 -0.001 0.000 0.218 169 G C 1.189 175.822 174.900 -0.446 0.000 1.130 169 G CA 0.530 45.102 45.100 -0.879 0.000 0.784 169 G HN 0.436 nan 8.290 nan 0.000 0.543 170 L N 1.065 122.177 121.223 -0.185 0.000 2.645 170 L HA 0.186 4.525 4.340 -0.001 0.000 0.235 170 L C 1.454 178.285 176.870 -0.064 0.000 1.150 170 L CA -0.215 54.577 54.840 -0.079 0.000 0.911 170 L CB -0.024 42.060 42.059 0.042 0.000 1.077 170 L HN 0.190 nan 8.230 nan 0.000 0.438 171 I N -1.685 118.829 120.570 -0.093 0.000 4.032 171 I HA 0.012 4.181 4.170 -0.001 0.000 0.313 171 I C 1.752 177.819 176.117 -0.083 0.000 1.272 171 I CA 0.815 62.080 61.300 -0.057 0.000 1.307 171 I CB -0.690 37.304 38.000 -0.011 0.000 1.155 171 I HN 0.202 nan 8.210 nan 0.000 0.431 172 T N 0.255 114.723 114.554 -0.143 0.000 3.248 172 T HA 0.425 4.774 4.350 -0.001 0.000 0.271 172 T C 0.582 175.193 174.700 -0.150 0.000 1.005 172 T CA -0.405 61.620 62.100 -0.125 0.000 0.902 172 T CB -1.113 67.716 68.868 -0.064 0.000 1.102 172 T HN 0.182 nan 8.240 nan 0.000 0.548 173 I N -0.292 120.181 120.570 -0.161 0.000 2.754 173 I HA 0.391 4.560 4.170 -0.001 0.000 0.285 173 I C -0.144 175.912 176.117 -0.101 0.000 1.166 173 I CA -0.514 60.724 61.300 -0.104 0.000 1.417 173 I CB -0.024 37.927 38.000 -0.082 0.000 1.382 173 I HN 0.049 nan 8.210 nan 0.000 0.588 174 H N 5.310 124.369 119.070 -0.019 0.000 2.643 174 H HA 0.306 4.861 4.556 -0.001 0.000 0.259 174 H C -1.944 173.424 175.328 0.067 0.000 1.298 174 H CA -1.577 54.494 56.048 0.037 0.000 1.301 174 H CB 0.652 30.458 29.762 0.074 0.000 1.422 174 H HN 0.470 nan 8.280 nan 0.000 0.521 175 P HA -0.189 nan 4.420 nan 0.000 0.223 175 P C 1.439 178.796 177.300 0.094 0.000 1.144 175 P CA 1.236 64.380 63.100 0.073 0.000 0.783 175 P CB 0.369 32.084 31.700 0.026 0.000 0.771 176 S N -2.596 113.176 115.700 0.120 0.000 2.428 176 S HA -0.160 4.309 4.470 -0.001 0.000 0.230 176 S C 1.951 176.598 174.600 0.078 0.000 1.014 176 S CA 0.611 58.863 58.200 0.086 0.000 0.957 176 S CB -1.457 61.794 63.200 0.086 0.000 0.784 176 S HN 0.160 nan 8.310 nan 0.000 0.499 177 Y N 1.259 121.601 120.300 0.071 0.000 2.475 177 Y HA 0.168 4.717 4.550 -0.001 0.000 0.289 177 Y C 2.257 178.184 175.900 0.045 0.000 1.121 177 Y CA 0.408 58.539 58.100 0.052 0.000 1.257 177 Y CB 0.214 38.705 38.460 0.052 0.000 1.026 177 Y HN 0.137 nan 8.280 nan 0.000 0.555 178 V N 0.053 120.096 119.914 0.214 0.000 2.346 178 V HA -0.192 3.927 4.120 -0.001 0.000 0.244 178 V C 0.977 177.123 176.094 0.086 0.000 1.037 178 V CA 0.514 62.900 62.300 0.145 0.000 1.029 178 V CB -0.452 31.436 31.823 0.108 0.000 0.663 178 V HN 0.203 nan 8.190 nan 0.000 0.454 179 I N 3.680 124.284 120.570 0.057 0.000 3.114 179 I HA -0.037 4.133 4.170 -0.001 0.000 0.320 179 I C -1.704 174.420 176.117 0.013 0.000 1.230 179 I CA -1.249 60.066 61.300 0.026 0.000 1.440 179 I CB 0.079 38.086 38.000 0.012 0.000 1.334 179 I HN 0.172 nan 8.210 nan 0.000 0.532 180 P HA -0.022 nan 4.420 nan 0.000 0.265 180 P C -0.581 176.713 177.300 -0.011 0.000 1.193 180 P CA -0.028 63.072 63.100 0.001 0.000 0.765 180 P CB 0.469 32.168 31.700 -0.002 0.000 0.823 181 D N 2.073 122.463 120.400 -0.016 0.000 2.362 181 D HA 0.075 4.715 4.640 -0.001 0.000 0.242 181 D C 0.839 177.128 176.300 -0.019 0.000 1.132 181 D CA 0.004 53.991 54.000 -0.021 0.000 0.907 181 D CB 0.905 41.692 40.800 -0.021 0.000 1.195 181 D HN 0.278 nan 8.370 nan 0.000 0.429 182 L N 1.655 122.868 121.223 -0.017 0.000 2.781 182 L HA 0.278 4.618 4.340 -0.001 0.000 0.245 182 L C 0.966 177.829 176.870 -0.011 0.000 1.118 182 L CA -0.271 54.560 54.840 -0.015 0.000 0.918 182 L CB 0.223 42.274 42.059 -0.014 0.000 1.246 182 L HN 0.282 nan 8.230 nan 0.000 0.526 183 A N 1.065 123.879 122.820 -0.009 0.000 2.511 183 A HA 0.249 4.568 4.320 -0.001 0.000 0.242 183 A C -1.515 176.070 177.584 0.003 0.000 1.069 183 A CA -0.826 51.209 52.037 -0.003 0.000 0.763 183 A CB -0.013 18.986 19.000 -0.001 0.000 1.001 183 A HN -0.026 nan 8.150 nan 0.000 0.498 184 P HA -0.226 nan 4.420 nan 0.000 0.216 184 P C 1.721 179.039 177.300 0.029 0.000 1.154 184 P CA 2.277 65.384 63.100 0.012 0.000 0.865 184 P CB 0.041 31.750 31.700 0.016 0.000 0.789 185 S N -1.263 114.462 115.700 0.041 0.000 2.453 185 S HA 0.022 4.492 4.470 -0.001 0.000 0.231 185 S C 1.981 176.622 174.600 0.068 0.000 1.005 185 S CA 0.916 59.158 58.200 0.070 0.000 0.949 185 S CB -1.085 62.154 63.200 0.064 0.000 0.774 185 S HN 0.119 nan 8.310 nan 0.000 0.510 186 A N 1.193 124.035 122.820 0.035 0.000 1.975 186 A HA 0.318 4.638 4.320 -0.001 0.000 0.215 186 A C 2.272 179.858 177.584 0.004 0.000 1.170 186 A CA 0.892 52.941 52.037 0.020 0.000 0.656 186 A CB -0.683 18.319 19.000 0.004 0.000 0.821 186 A HN 0.396 nan 8.150 nan 0.000 0.449 187 V N 1.015 120.927 119.914 -0.004 0.000 2.323 187 V HA -0.210 3.909 4.120 -0.001 0.000 0.244 187 V C 3.009 179.079 176.094 -0.041 0.000 1.041 187 V CA 2.354 64.638 62.300 -0.027 0.000 1.025 187 V CB -0.799 31.007 31.823 -0.028 0.000 0.656 187 V HN 0.776 nan 8.190 nan 0.000 0.451 188 S N 0.904 116.592 115.700 -0.020 0.000 2.402 188 S HA -0.086 4.383 4.470 -0.001 0.000 0.229 188 S C 2.086 176.714 174.600 0.046 0.000 1.021 188 S CA 1.347 59.511 58.200 -0.060 0.000 0.974 188 S CB -0.850 62.361 63.200 0.018 0.000 0.800 188 S HN 0.536 nan 8.310 nan 0.000 0.484 189 G N 1.827 110.711 108.800 0.140 0.000 2.422 189 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.218 189 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.218 189 G C 1.435 176.362 174.900 0.044 0.000 1.146 189 G CA 1.004 46.209 45.100 0.175 0.000 0.769 189 G HN 0.461 nan 8.290 nan 0.000 0.547 190 M N 0.340 119.921 119.600 -0.031 0.000 2.175 190 M HA 0.049 4.529 4.480 -0.001 0.000 0.264 190 M C 2.430 178.665 176.300 -0.109 0.000 1.063 190 M CA 1.320 56.558 55.300 -0.104 0.000 1.119 190 M CB -0.389 32.150 32.600 -0.101 0.000 1.377 190 M HN 0.267 nan 8.290 nan 0.000 0.415 191 I N -0.210 120.297 120.570 -0.105 0.000 2.252 191 I HA -0.276 3.894 4.170 -0.001 0.000 0.245 191 I C 2.016 178.072 176.117 -0.102 0.000 1.102 191 I CA 0.990 62.214 61.300 -0.127 0.000 1.385 191 I CB -0.548 37.323 38.000 -0.216 0.000 1.064 191 I HN 0.106 nan 8.210 nan 0.000 0.414 192 F N 1.149 121.064 119.950 -0.058 0.000 2.216 192 F HA -0.170 4.356 4.527 -0.001 0.000 0.300 192 F C 2.564 178.235 175.800 -0.215 0.000 1.085 192 F CA 1.164 59.081 58.000 -0.138 0.000 1.326 192 F CB -0.898 37.993 39.000 -0.182 0.000 1.027 192 F HN 0.006 nan 8.300 nan 0.000 0.497 193 A N -0.442 122.364 122.820 -0.025 0.000 1.968 193 A HA -0.142 4.178 4.320 -0.001 0.000 0.217 193 A C 2.353 179.902 177.584 -0.057 0.000 1.169 193 A CA 1.632 53.591 52.037 -0.130 0.000 0.638 193 A CB -1.098 17.700 19.000 -0.337 0.000 0.812 193 A HN 0.380 nan 8.150 nan 0.000 0.446 194 S N 0.144 115.824 115.700 -0.034 0.000 2.419 194 S HA 0.057 4.527 4.470 -0.001 0.000 0.233 194 S C 1.971 176.739 174.600 0.281 0.000 1.016 194 S CA 1.242 59.508 58.200 0.108 0.000 0.974 194 S CB -0.478 62.809 63.200 0.144 0.000 0.786 194 S HN 0.807 nan 8.310 nan 0.000 0.492 195 A N 2.068 125.010 122.820 0.203 0.000 1.897 195 A HA 0.226 4.546 4.320 -0.001 0.000 0.215 195 A C 2.194 179.936 177.584 0.262 0.000 1.181 195 A CA 1.236 53.400 52.037 0.212 0.000 0.620 195 A CB -0.686 18.409 19.000 0.159 0.000 0.821 195 A HN 0.604 nan 8.150 nan 0.000 0.443 196 I N -2.075 118.624 120.570 0.215 0.000 2.676 196 I HA -0.098 4.071 4.170 -0.001 0.000 0.259 196 I C 0.954 177.206 176.117 0.225 0.000 1.194 196 I CA 0.827 62.243 61.300 0.193 0.000 1.473 196 I CB -0.161 37.921 38.000 0.136 0.000 1.096 196 I HN 0.187 nan 8.210 nan 0.000 0.443 197 F N -0.314 119.672 119.950 0.059 0.000 2.660 197 F HA 0.164 4.690 4.527 -0.001 0.000 0.297 197 F C 1.608 177.547 175.800 0.231 0.000 1.132 197 F CA -0.157 57.869 58.000 0.043 0.000 1.372 197 F CB -0.580 38.317 39.000 -0.170 0.000 1.003 197 F HN -0.062 nan 8.300 nan 0.000 0.524 198 F N 0.407 120.540 119.950 0.305 0.000 2.206 198 F HA -0.177 4.349 4.527 -0.001 0.000 0.298 198 F C 2.210 178.199 175.800 0.314 0.000 1.090 198 F CA 0.761 58.980 58.000 0.365 0.000 1.323 198 F CB 0.153 39.340 39.000 0.312 0.000 1.028 198 F HN 0.069 nan 8.300 nan 0.000 0.492 199 L N -1.303 120.174 121.223 0.425 0.000 2.265 199 L HA -0.098 4.242 4.340 -0.001 0.000 0.215 199 L C 1.897 178.824 176.870 0.095 0.000 1.117 199 L CA 1.612 56.580 54.840 0.213 0.000 0.782 199 L CB -1.614 40.540 42.059 0.158 0.000 0.914 199 L HN -0.143 nan 8.230 nan 0.000 0.441 200 S N -1.048 114.696 115.700 0.074 0.000 2.465 200 S HA -0.097 4.372 4.470 -0.001 0.000 0.241 200 S C 0.331 174.806 174.600 -0.208 0.000 1.000 200 S CA 1.236 59.361 58.200 -0.126 0.000 0.964 200 S CB -0.595 62.479 63.200 -0.209 0.000 0.763 200 S HN 0.690 nan 8.310 nan 0.000 0.512 201 Y N 0.704 121.118 120.300 0.190 0.000 2.525 201 Y HA 0.362 4.911 4.550 -0.001 0.000 0.365 201 Y C 0.999 176.879 175.900 -0.033 0.000 0.929 201 Y CA -0.593 57.562 58.100 0.093 0.000 1.196 201 Y CB -0.413 38.112 38.460 0.107 0.000 1.232 201 Y HN 0.238 nan 8.280 nan 0.000 0.613 202 M N -2.240 117.349 119.600 -0.019 0.000 2.505 202 M HA 0.387 4.867 4.480 -0.001 0.000 0.230 202 M C 1.413 177.651 176.300 -0.103 0.000 1.153 202 M CA 0.592 55.766 55.300 -0.211 0.000 0.997 202 M CB -0.024 32.347 32.600 -0.383 0.000 1.606 202 M HN 0.430 nan 8.290 nan 0.000 0.481 203 G N 0.803 109.506 108.800 -0.162 0.000 2.535 203 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.218 203 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.218 203 G C 0.886 175.710 174.900 -0.126 0.000 1.122 203 G CA 0.397 45.416 45.100 -0.134 0.000 0.769 203 G HN 0.485 nan 8.290 nan 0.000 0.549 204 F N 1.640 121.546 119.950 -0.072 0.000 2.120 204 F HA -0.043 4.483 4.527 -0.001 0.000 0.300 204 F C 2.772 178.646 175.800 0.124 0.000 1.095 204 F CA 1.000 58.920 58.000 -0.134 0.000 1.249 204 F CB -0.764 37.937 39.000 -0.499 0.000 0.995 204 F HN 0.174 nan 8.300 nan 0.000 0.480 205 G N 0.383 109.397 108.800 0.356 0.000 2.434 205 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.214 205 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.214 205 G C 1.760 176.917 174.900 0.428 0.000 1.202 205 G CA 1.601 46.951 45.100 0.417 0.000 0.788 205 G HN 0.346 nan 8.290 nan 0.000 0.539 206 V N -0.594 119.533 119.914 0.356 0.000 2.594 206 V HA -0.036 4.083 4.120 -0.001 0.000 0.253 206 V C 2.605 178.822 176.094 0.206 0.000 1.069 206 V CA 1.426 63.894 62.300 0.280 0.000 1.082 206 V CB -0.536 31.422 31.823 0.225 0.000 0.680 206 V HN 0.393 nan 8.190 nan 0.000 0.469 207 I N 2.016 122.704 120.570 0.196 0.000 2.235 207 I HA -0.151 4.019 4.170 -0.001 0.000 0.241 207 I C 2.940 179.179 176.117 0.204 0.000 1.085 207 I CA 1.940 63.343 61.300 0.170 0.000 1.378 207 I CB -0.673 37.411 38.000 0.141 0.000 1.076 207 I HN 0.495 nan 8.210 nan 0.000 0.415 208 T N -1.885 112.832 114.554 0.273 0.000 2.904 208 T HA -0.072 4.277 4.350 -0.001 0.000 0.267 208 T C 1.643 176.464 174.700 0.202 0.000 1.059 208 T CA 0.950 63.214 62.100 0.273 0.000 1.137 208 T CB -0.438 68.659 68.868 0.383 0.000 0.879 208 T HN 0.183 nan 8.240 nan 0.000 0.467 209 N N 1.774 120.610 118.700 0.226 0.000 2.550 209 N HA 0.146 4.885 4.740 -0.001 0.000 0.186 209 N C 1.362 176.957 175.510 0.141 0.000 1.110 209 N CA 0.928 54.089 53.050 0.185 0.000 0.912 209 N CB -0.068 38.549 38.487 0.216 0.000 0.968 209 N HN 0.672 nan 8.380 nan 0.000 0.448 210 A N -0.254 122.647 122.820 0.135 0.000 2.538 210 A HA 0.134 4.453 4.320 -0.001 0.000 0.269 210 A C 1.863 179.529 177.584 0.137 0.000 1.231 210 A CA -0.009 52.084 52.037 0.095 0.000 0.948 210 A CB -0.060 18.983 19.000 0.072 0.000 1.110 210 A HN 0.222 nan 8.150 nan 0.000 0.529 211 S N 0.403 116.189 115.700 0.144 0.000 2.382 211 S HA -0.199 4.270 4.470 -0.001 0.000 0.228 211 S C 1.374 176.039 174.600 0.108 0.000 1.027 211 S CA 1.601 59.880 58.200 0.130 0.000 0.991 211 S CB -0.405 62.878 63.200 0.140 0.000 0.823 211 S HN 0.604 nan 8.310 nan 0.000 0.469 212 E N 0.079 120.349 120.200 0.118 0.000 2.418 212 E HA -0.046 4.303 4.350 -0.001 0.000 0.197 212 E C 0.685 177.264 176.600 -0.035 0.000 1.026 212 E CA 0.622 57.049 56.400 0.045 0.000 0.862 212 E CB -0.052 29.661 29.700 0.022 0.000 0.799 212 E HN 0.713 nan 8.360 nan 0.000 0.518 213 H N -0.857 118.171 119.070 -0.071 0.000 2.505 213 H HA 0.287 4.842 4.556 -0.001 0.000 0.289 213 H C -0.446 174.857 175.328 -0.041 0.000 1.052 213 H CA 0.085 56.076 56.048 -0.094 0.000 1.156 213 H CB 0.212 29.889 29.762 -0.142 0.000 1.507 213 H HN -0.026 nan 8.280 nan 0.000 0.548 214 I N 0.894 121.506 120.570 0.069 0.000 2.433 214 I HA 0.125 4.294 4.170 -0.001 0.000 0.292 214 I C 0.004 176.133 176.117 0.020 0.000 1.001 214 I CA -0.782 60.548 61.300 0.049 0.000 1.119 214 I CB 2.107 40.144 38.000 0.062 0.000 1.289 214 I HN 0.109 nan 8.210 nan 0.000 0.438 215 E N 4.828 125.035 120.200 0.011 0.000 2.452 215 E HA -0.080 4.270 4.350 -0.001 0.000 0.261 215 E C 0.181 176.785 176.600 0.006 0.000 0.987 215 E CA 0.301 56.703 56.400 0.003 0.000 0.926 215 E CB 0.134 29.836 29.700 0.003 0.000 0.934 215 E HN 0.441 nan 8.360 nan 0.000 0.452 216 N N 3.127 121.829 118.700 0.005 0.000 2.669 216 N HA -0.154 4.586 4.740 -0.001 0.000 0.266 216 N C -1.971 173.548 175.510 0.014 0.000 1.024 216 N CA 0.167 53.222 53.050 0.008 0.000 0.766 216 N CB -0.160 38.330 38.487 0.005 0.000 0.898 216 N HN 0.343 nan 8.380 nan 0.000 0.548 217 P HA -0.178 nan 4.420 nan 0.000 0.217 217 P C 1.012 178.339 177.300 0.046 0.000 1.150 217 P CA 1.300 64.425 63.100 0.042 0.000 0.832 217 P CB 0.147 31.878 31.700 0.052 0.000 0.787 218 K N -0.168 120.253 120.400 0.036 0.000 2.209 218 K HA -0.120 4.199 4.320 -0.001 0.000 0.204 218 K C 2.333 178.941 176.600 0.014 0.000 1.048 218 K CA 1.131 57.435 56.287 0.028 0.000 0.940 218 K CB -0.086 32.425 32.500 0.020 0.000 0.729 218 K HN 0.136 nan 8.250 nan 0.000 0.451 219 K N 0.160 120.566 120.400 0.009 0.000 2.172 219 K HA 0.034 4.354 4.320 -0.001 0.000 0.203 219 K C 1.471 178.069 176.600 -0.004 0.000 1.040 219 K CA 0.531 56.816 56.287 -0.002 0.000 0.974 219 K CB 0.305 32.803 32.500 -0.004 0.000 0.857 219 K HN 0.010 nan 8.250 nan 0.000 0.464 220 N N 0.562 119.261 118.700 -0.002 0.000 2.446 220 N HA -0.058 4.682 4.740 -0.001 0.000 0.179 220 N C 1.640 177.152 175.510 0.004 0.000 1.054 220 N CA 0.429 53.468 53.050 -0.019 0.000 0.905 220 N CB 0.279 38.750 38.487 -0.027 0.000 0.973 220 N HN -0.043 nan 8.380 nan 0.000 0.448 221 V N 1.981 121.920 119.914 0.042 0.000 2.283 221 V HA -0.085 4.035 4.120 -0.001 0.000 0.243 221 V C -0.715 175.436 176.094 0.094 0.000 1.039 221 V CA 1.591 63.942 62.300 0.085 0.000 1.016 221 V CB -1.155 30.747 31.823 0.132 0.000 0.650 221 V HN 0.166 nan 8.190 nan 0.000 0.449 222 P HA -0.125 nan 4.420 nan 0.000 0.216 222 P C 1.691 179.033 177.300 0.070 0.000 1.153 222 P CA 1.397 64.535 63.100 0.064 0.000 0.848 222 P CB -0.084 31.617 31.700 0.002 0.000 0.787 223 R N -0.417 120.104 120.500 0.035 0.000 2.081 223 R HA -0.069 4.270 4.340 -0.001 0.000 0.235 223 R C 2.327 178.638 176.300 0.018 0.000 1.131 223 R CA 1.599 57.720 56.100 0.034 0.000 0.960 223 R CB -1.104 29.175 30.300 -0.035 0.000 0.856 223 R HN 0.137 nan 8.270 nan 0.000 0.436 224 A N 1.246 124.054 122.820 -0.021 0.000 1.877 224 A HA -0.167 4.152 4.320 -0.001 0.000 0.216 224 A C 2.160 179.738 177.584 -0.010 0.000 1.186 224 A CA 1.342 53.351 52.037 -0.047 0.000 0.620 224 A CB -0.550 18.436 19.000 -0.023 0.000 0.822 224 A HN 0.194 nan 8.150 nan 0.000 0.443 225 I N -2.058 118.534 120.570 0.037 0.000 2.163 225 I HA -0.260 3.909 4.170 -0.001 0.000 0.243 225 I C 2.366 178.505 176.117 0.037 0.000 1.085 225 I CA 1.759 63.060 61.300 0.002 0.000 1.347 225 I CB -0.348 37.708 38.000 0.092 0.000 1.044 225 I HN 0.420 nan 8.210 nan 0.000 0.408 226 F N 1.413 121.340 119.950 -0.039 0.000 2.084 226 F HA -0.131 4.396 4.527 -0.001 0.000 0.296 226 F C 2.300 178.089 175.800 -0.019 0.000 1.111 226 F CA 1.492 59.481 58.000 -0.017 0.000 1.224 226 F CB -0.306 38.698 39.000 0.007 0.000 0.991 226 F HN -0.122 nan 8.300 nan 0.000 0.471 227 I N -0.985 119.568 120.570 -0.028 0.000 2.226 227 I HA -0.319 3.851 4.170 -0.001 0.000 0.245 227 I C 2.681 178.741 176.117 -0.096 0.000 1.100 227 I CA 1.548 62.785 61.300 -0.104 0.000 1.374 227 I CB -0.747 37.193 38.000 -0.100 0.000 1.057 227 I HN 0.133 nan 8.210 nan 0.000 0.413 228 S N 0.682 116.334 115.700 -0.080 0.000 2.383 228 S HA -0.087 4.382 4.470 -0.001 0.000 0.227 228 S C 2.010 176.559 174.600 -0.086 0.000 1.026 228 S CA 1.131 59.290 58.200 -0.068 0.000 0.981 228 S CB -0.227 62.931 63.200 -0.070 0.000 0.818 228 S HN 0.302 nan 8.310 nan 0.000 0.472 229 I N 1.033 121.539 120.570 -0.107 0.000 2.252 229 I HA -0.153 4.017 4.170 -0.001 0.000 0.245 229 I C 2.021 178.102 176.117 -0.060 0.000 1.102 229 I CA 0.968 62.246 61.300 -0.036 0.000 1.385 229 I CB -0.278 37.656 38.000 -0.109 0.000 1.064 229 I HN 0.275 nan 8.210 nan 0.000 0.414 230 L N 0.202 121.325 121.223 -0.166 0.000 2.093 230 L HA -0.193 4.147 4.340 -0.001 0.000 0.208 230 L C 2.466 179.370 176.870 0.056 0.000 1.085 230 L CA 1.341 56.119 54.840 -0.102 0.000 0.755 230 L CB -0.452 41.505 42.059 -0.169 0.000 0.904 230 L HN 0.199 nan 8.230 nan 0.000 0.435 231 I N -0.211 120.362 120.570 0.004 0.000 2.142 231 I HA -0.246 3.923 4.170 -0.001 0.000 0.240 231 I C 2.521 178.570 176.117 -0.113 0.000 1.078 231 I CA 1.600 62.904 61.300 0.006 0.000 1.343 231 I CB -0.317 37.683 38.000 -0.000 0.000 1.046 231 I HN 0.186 nan 8.210 nan 0.000 0.405 232 V N -1.597 118.163 119.914 -0.257 0.000 2.515 232 V HA -0.255 3.864 4.120 -0.001 0.000 0.250 232 V C 2.319 177.894 176.094 -0.865 0.000 1.058 232 V CA 1.443 63.331 62.300 -0.686 0.000 1.064 232 V CB -0.717 30.607 31.823 -0.832 0.000 0.675 232 V HN 0.407 nan 8.190 nan 0.000 0.461 233 M N -0.521 118.908 119.600 -0.285 0.000 2.086 233 M HA -0.106 4.374 4.480 -0.001 0.000 0.261 233 M C 2.074 178.257 176.300 -0.195 0.000 1.067 233 M CA 2.283 57.536 55.300 -0.078 0.000 1.116 233 M CB -0.210 32.337 32.600 -0.089 0.000 1.348 233 M HN 0.400 nan 8.290 nan 0.000 0.407 234 F N -0.696 119.194 119.950 -0.100 0.000 2.234 234 F HA -0.147 4.379 4.527 -0.001 0.000 0.299 234 F C 2.205 177.933 175.800 -0.119 0.000 1.087 234 F CA 1.008 58.962 58.000 -0.075 0.000 1.340 234 F CB -0.866 38.099 39.000 -0.059 0.000 1.031 234 F HN -0.073 nan 8.300 nan 0.000 0.500 235 V N -1.061 118.819 119.914 -0.056 0.000 2.307 235 V HA -0.300 3.820 4.120 -0.001 0.000 0.245 235 V C 2.157 178.159 176.094 -0.153 0.000 1.045 235 V CA 1.596 63.805 62.300 -0.152 0.000 1.024 235 V CB -0.746 30.922 31.823 -0.258 0.000 0.651 235 V HN 0.210 nan 8.190 nan 0.000 0.449 236 Y N 0.253 120.377 120.300 -0.294 0.000 2.053 236 Y HA -0.220 4.329 4.550 -0.001 0.000 0.277 236 Y C 2.546 178.214 175.900 -0.387 0.000 1.159 236 Y CA 1.350 59.073 58.100 -0.629 0.000 1.125 236 Y CB -1.455 36.355 38.460 -1.084 0.000 0.969 236 Y HN 0.050 nan 8.280 nan 0.000 0.492 237 V N -0.336 119.581 119.914 0.004 0.000 2.261 237 V HA -0.251 3.868 4.120 -0.001 0.000 0.246 237 V C 2.625 178.784 176.094 0.107 0.000 1.047 237 V CA 1.987 64.347 62.300 0.100 0.000 1.015 237 V CB -1.534 30.343 31.823 0.089 0.000 0.642 237 V HN 0.549 nan 8.190 nan 0.000 0.446 238 G N -0.544 108.307 108.800 0.086 0.000 2.450 238 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.220 238 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.220 238 G C 1.593 176.538 174.900 0.075 0.000 1.130 238 G CA 1.351 46.490 45.100 0.064 0.000 0.760 238 G HN 0.408 nan 8.290 nan 0.000 0.557 239 V N 0.851 120.826 119.914 0.102 0.000 2.500 239 V HA 0.085 4.205 4.120 -0.001 0.000 0.243 239 V C 3.210 179.488 176.094 0.307 0.000 1.039 239 V CA 1.546 63.974 62.300 0.214 0.000 1.053 239 V CB -0.352 31.502 31.823 0.051 0.000 0.695 239 V HN 0.438 nan 8.190 nan 0.000 0.463 240 A N 0.205 123.207 122.820 0.304 0.000 1.940 240 A HA -0.193 4.127 4.320 -0.001 0.000 0.219 240 A C 2.147 179.913 177.584 0.304 0.000 1.176 240 A CA 1.924 54.223 52.037 0.436 0.000 0.631 240 A CB -0.542 18.717 19.000 0.431 0.000 0.814 240 A HN 0.510 nan 8.150 nan 0.000 0.446 241 I N -0.804 119.886 120.570 0.201 0.000 2.179 241 I HA -0.223 3.946 4.170 -0.001 0.000 0.242 241 I C 2.855 179.027 176.117 0.091 0.000 1.088 241 I CA 1.529 62.908 61.300 0.132 0.000 1.357 241 I CB -0.333 37.723 38.000 0.093 0.000 1.051 241 I HN 0.430 nan 8.210 nan 0.000 0.409 242 S N 0.709 116.444 115.700 0.058 0.000 2.370 242 S HA -0.220 4.249 4.470 -0.001 0.000 0.226 242 S C 2.197 176.791 174.600 -0.009 0.000 1.033 242 S CA 1.579 59.719 58.200 -0.100 0.000 1.011 242 S CB -0.252 62.778 63.200 -0.283 0.000 0.852 242 S HN 0.463 nan 8.310 nan 0.000 0.457 243 A N 0.918 123.880 122.820 0.237 0.000 1.930 243 A HA 0.104 4.423 4.320 -0.001 0.000 0.217 243 A C 2.137 179.836 177.584 0.192 0.000 1.175 243 A CA 1.388 53.619 52.037 0.324 0.000 0.627 243 A CB -0.622 18.650 19.000 0.453 0.000 0.815 243 A HN 0.638 nan 8.150 nan 0.000 0.443 244 I N -0.582 120.086 120.570 0.163 0.000 2.406 244 I HA -0.060 4.110 4.170 -0.001 0.000 0.249 244 I C 2.105 178.184 176.117 -0.064 0.000 1.122 244 I CA 0.939 62.272 61.300 0.055 0.000 1.431 244 I CB -0.227 37.856 38.000 0.139 0.000 1.087 244 I HN 0.368 nan 8.210 nan 0.000 0.424 245 G N 0.156 108.968 108.800 0.020 0.000 3.474 245 G HA2 0.035 3.994 3.960 -0.001 0.000 0.269 245 G HA3 0.035 3.994 3.960 -0.001 0.000 0.269 245 G C 0.367 175.268 174.900 0.000 0.000 1.339 245 G CA 0.036 45.159 45.100 0.039 0.000 1.258 245 G HN 0.368 nan 8.290 nan 0.000 0.560 246 N N -1.537 117.124 118.700 -0.065 0.000 1.900 246 N HA 0.201 4.940 4.740 -0.001 0.000 0.227 246 N C -1.010 174.472 175.510 -0.047 0.000 1.411 246 N CA -0.237 52.797 53.050 -0.027 0.000 0.780 246 N CB 1.065 39.530 38.487 -0.036 0.000 1.082 246 N HN 0.193 nan 8.380 nan 0.000 0.505 247 L N 1.124 122.256 121.223 -0.151 0.000 2.565 247 L HA 0.509 4.849 4.340 -0.001 0.000 0.261 247 L C -2.635 174.011 176.870 -0.372 0.000 0.932 247 L CA -1.708 53.036 54.840 -0.160 0.000 0.878 247 L CB 1.671 43.723 42.059 -0.011 0.000 1.333 247 L HN -0.162 nan 8.230 nan 0.000 0.409 248 P HA 0.051 nan 4.420 nan 0.000 0.264 248 P C 0.983 178.188 177.300 -0.158 0.000 1.193 248 P CA 0.056 62.937 63.100 -0.365 0.000 0.763 248 P CB 0.804 32.486 31.700 -0.030 0.000 0.810 249 I N 3.471 124.010 120.570 -0.053 0.000 2.335 249 I HA -0.298 3.871 4.170 -0.001 0.000 0.251 249 I C 1.451 177.625 176.117 0.096 0.000 1.129 249 I CA 1.959 63.312 61.300 0.090 0.000 1.402 249 I CB -0.539 37.606 38.000 0.242 0.000 1.069 249 I HN 0.336 nan 8.210 nan 0.000 0.424 250 D N -0.775 119.692 120.400 0.112 0.000 2.219 250 D HA -0.194 4.445 4.640 -0.001 0.000 0.205 250 D C 1.830 178.167 176.300 0.061 0.000 0.970 250 D CA 1.055 55.105 54.000 0.083 0.000 0.851 250 D CB -0.582 40.267 40.800 0.083 0.000 0.943 250 D HN 0.451 nan 8.370 nan 0.000 0.488 251 E N -0.085 120.144 120.200 0.049 0.000 2.158 251 E HA -0.001 4.349 4.350 -0.001 0.000 0.191 251 E C 2.078 178.710 176.600 0.054 0.000 0.982 251 E CA 0.232 56.656 56.400 0.040 0.000 0.823 251 E CB -0.015 29.699 29.700 0.023 0.000 0.766 251 E HN 0.357 nan 8.360 nan 0.000 0.468 252 L N 0.595 121.858 121.223 0.066 0.000 2.093 252 L HA -0.143 4.196 4.340 -0.001 0.000 0.208 252 L C 2.273 179.206 176.870 0.105 0.000 1.085 252 L CA 0.804 55.707 54.840 0.105 0.000 0.755 252 L CB -0.168 41.974 42.059 0.139 0.000 0.904 252 L HN 0.142 nan 8.230 nan 0.000 0.435 253 I N -0.688 119.932 120.570 0.084 0.000 2.353 253 I HA -0.253 3.917 4.170 -0.001 0.000 0.248 253 I C 2.447 178.603 176.117 0.065 0.000 1.119 253 I CA 1.120 62.465 61.300 0.075 0.000 1.417 253 I CB -0.254 37.785 38.000 0.065 0.000 1.078 253 I HN 0.168 nan 8.210 nan 0.000 0.421 254 K N 1.248 121.682 120.400 0.056 0.000 1.973 254 K HA -0.033 4.287 4.320 -0.001 0.000 0.212 254 K C 1.278 177.904 176.600 0.043 0.000 1.047 254 K CA 1.415 57.729 56.287 0.045 0.000 0.937 254 K CB -0.216 32.306 32.500 0.037 0.000 0.721 254 K HN 0.234 nan 8.250 nan 0.000 0.440 255 A N 1.293 124.141 122.820 0.046 0.000 3.091 255 A HA 0.091 4.411 4.320 -0.001 0.000 0.264 255 A C 1.226 178.841 177.584 0.051 0.000 1.673 255 A CA -0.011 52.049 52.037 0.038 0.000 1.362 255 A CB -0.057 18.965 19.000 0.038 0.000 1.137 255 A HN 0.230 nan 8.150 nan 0.000 0.617 256 S N 0.826 116.560 115.700 0.057 0.000 2.345 256 S HA -0.138 4.331 4.470 -0.001 0.000 0.219 256 S C 1.665 176.306 174.600 0.069 0.000 1.031 256 S CA 1.777 60.030 58.200 0.088 0.000 0.984 256 S CB -0.177 63.076 63.200 0.088 0.000 0.874 256 S HN 0.682 nan 8.310 nan 0.000 0.451 257 E N 2.242 122.451 120.200 0.016 0.000 2.209 257 E HA -0.064 4.286 4.350 -0.001 0.000 0.196 257 E C 0.762 177.219 176.600 -0.238 0.000 0.993 257 E CA 1.252 57.636 56.400 -0.027 0.000 0.819 257 E CB -0.130 29.558 29.700 -0.020 0.000 0.745 257 E HN 0.780 nan 8.360 nan 0.000 0.477 258 N N -1.036 117.461 118.700 -0.340 0.000 2.553 258 N HA 0.274 5.013 4.740 -0.001 0.000 0.298 258 N C 0.605 175.956 175.510 -0.265 0.000 1.596 258 N CA 0.472 53.050 53.050 -0.787 0.000 0.910 258 N CB 0.549 38.590 38.487 -0.744 0.000 1.336 258 N HN 0.029 nan 8.380 nan 0.000 0.497 259 A N 1.161 123.970 122.820 -0.019 0.000 1.915 259 A HA -0.159 4.160 4.320 -0.001 0.000 0.220 259 A C 2.024 179.669 177.584 0.101 0.000 1.198 259 A CA 1.192 53.306 52.037 0.129 0.000 0.647 259 A CB -0.561 18.643 19.000 0.340 0.000 0.825 259 A HN 0.406 nan 8.150 nan 0.000 0.456 260 L N -1.406 119.855 121.223 0.063 0.000 2.313 260 L HA -0.073 4.267 4.340 -0.001 0.000 0.214 260 L C 2.984 179.938 176.870 0.140 0.000 1.119 260 L CA 0.614 55.455 54.840 0.001 0.000 0.809 260 L CB -0.517 41.389 42.059 -0.255 0.000 0.933 260 L HN 0.498 nan 8.230 nan 0.000 0.449 261 A N 0.093 123.029 122.820 0.193 0.000 1.873 261 A HA -0.133 4.186 4.320 -0.001 0.000 0.215 261 A C 2.245 180.037 177.584 0.347 0.000 1.186 261 A CA 1.691 53.819 52.037 0.152 0.000 0.616 261 A CB -0.647 18.357 19.000 0.007 0.000 0.823 261 A HN 0.184 nan 8.150 nan 0.000 0.442 262 V N -0.155 119.924 119.914 0.275 0.000 2.379 262 V HA -0.154 3.965 4.120 -0.001 0.000 0.245 262 V C 2.920 179.140 176.094 0.210 0.000 1.044 262 V CA 1.641 64.079 62.300 0.229 0.000 1.036 262 V CB -1.324 30.579 31.823 0.133 0.000 0.664 262 V HN 0.570 nan 8.190 nan 0.000 0.453 263 A N 0.001 122.963 122.820 0.237 0.000 2.125 263 A HA 0.049 4.368 4.320 -0.001 0.000 0.219 263 A C 2.268 180.092 177.584 0.400 0.000 1.156 263 A CA 1.696 53.912 52.037 0.298 0.000 0.671 263 A CB -0.457 18.748 19.000 0.343 0.000 0.794 263 A HN 0.570 nan 8.150 nan 0.000 0.459 264 A N -0.304 122.705 122.820 0.316 0.000 2.030 264 A HA 0.066 4.386 4.320 -0.001 0.000 0.215 264 A C 1.974 179.438 177.584 -0.202 0.000 1.164 264 A CA 1.094 53.139 52.037 0.013 0.000 0.697 264 A CB -0.202 18.866 19.000 0.113 0.000 0.827 264 A HN 0.490 nan 8.150 nan 0.000 0.457 265 K N -0.048 120.373 120.400 0.035 0.000 2.063 265 K HA -0.122 4.198 4.320 -0.001 0.000 0.208 265 K C -0.916 175.688 176.600 0.007 0.000 1.048 265 K CA 1.744 58.037 56.287 0.010 0.000 0.928 265 K CB -1.052 31.461 32.500 0.021 0.000 0.713 265 K HN 0.343 nan 8.250 nan 0.000 0.442 266 P HA -0.139 nan 4.420 nan 0.000 0.228 266 P C 0.623 178.056 177.300 0.221 0.000 1.151 266 P CA 1.014 64.201 63.100 0.145 0.000 0.770 266 P CB 0.016 31.824 31.700 0.180 0.000 0.786 267 F N -4.710 115.260 119.950 0.034 0.000 2.915 267 F HA 0.425 4.952 4.527 -0.000 0.000 0.347 267 F C 0.873 176.689 175.800 0.027 0.000 1.104 267 F CA -0.158 57.853 58.000 0.019 0.000 1.126 267 F CB -0.346 38.648 39.000 -0.011 0.000 1.145 267 F HN -0.293 nan 8.300 nan 0.000 0.541 268 L N 0.229 121.201 121.223 -0.419 0.000 2.902 268 L HA 0.635 4.974 4.340 -0.001 0.000 0.254 268 L C 1.301 178.102 176.870 -0.114 0.000 1.115 268 L CA 0.377 55.043 54.840 -0.290 0.000 0.947 268 L CB 0.722 42.515 42.059 -0.443 0.000 1.369 268 L HN 0.449 nan 8.230 nan 0.000 0.538 269 G N 0.840 109.588 108.800 -0.086 0.000 2.527 269 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.227 269 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.227 269 G C 0.178 175.086 174.900 0.013 0.000 1.291 269 G CA 0.151 45.235 45.100 -0.027 0.000 0.904 269 G HN 0.083 nan 8.290 nan 0.000 0.577 270 N N -0.083 118.631 118.700 0.024 0.000 2.416 270 N HA 0.123 4.862 4.740 -0.001 0.000 0.177 270 N C 2.503 178.091 175.510 0.129 0.000 1.036 270 N CA 1.016 54.117 53.050 0.085 0.000 0.901 270 N CB -0.166 38.334 38.487 0.023 0.000 0.976 270 N HN 0.464 nan 8.380 nan 0.000 0.444 271 L N -0.124 121.138 121.223 0.065 0.000 2.083 271 L HA -0.056 4.284 4.340 -0.001 0.000 0.209 271 L C 2.238 179.134 176.870 0.044 0.000 1.083 271 L CA 1.348 56.218 54.840 0.051 0.000 0.752 271 L CB -0.465 41.611 42.059 0.029 0.000 0.899 271 L HN 0.180 nan 8.230 nan 0.000 0.433 272 G N -0.940 107.878 108.800 0.029 0.000 2.426 272 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.214 272 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.214 272 G C 1.447 176.378 174.900 0.052 0.000 1.156 272 G CA 0.227 45.328 45.100 0.003 0.000 0.802 272 G HN 0.301 nan 8.290 nan 0.000 0.534 273 F N 0.993 120.921 119.950 -0.038 0.000 2.095 273 F HA -0.032 4.494 4.527 -0.001 0.000 0.298 273 F C 2.220 178.021 175.800 0.002 0.000 1.104 273 F CA 1.100 59.095 58.000 -0.009 0.000 1.232 273 F CB -0.109 38.882 39.000 -0.016 0.000 0.987 273 F HN 0.021 nan 8.300 nan 0.000 0.475 274 L N 0.123 121.343 121.223 -0.005 0.000 2.056 274 L HA -0.168 4.171 4.340 -0.001 0.000 0.207 274 L C 2.444 179.224 176.870 -0.150 0.000 1.078 274 L CA 1.520 56.292 54.840 -0.114 0.000 0.749 274 L CB -1.367 40.730 42.059 0.064 0.000 0.901 274 L HN 0.376 nan 8.230 nan 0.000 0.433 275 L N -0.149 121.030 121.223 -0.072 0.000 2.042 275 L HA -0.226 4.113 4.340 -0.001 0.000 0.210 275 L C 2.374 179.177 176.870 -0.112 0.000 1.076 275 L CA 1.675 56.480 54.840 -0.057 0.000 0.749 275 L CB -0.409 41.645 42.059 -0.009 0.000 0.893 275 L HN 0.127 nan 8.230 nan 0.000 0.432 276 I N -1.276 119.214 120.570 -0.134 0.000 2.439 276 I HA -0.175 3.994 4.170 -0.001 0.000 0.251 276 I C 2.448 178.397 176.117 -0.279 0.000 1.139 276 I CA 1.068 62.274 61.300 -0.157 0.000 1.438 276 I CB -1.420 36.531 38.000 -0.083 0.000 1.085 276 I HN 0.239 nan 8.210 nan 0.000 0.427 277 S N 1.009 116.505 115.700 -0.340 0.000 2.345 277 S HA -0.051 4.418 4.470 -0.001 0.000 0.220 277 S C 2.057 176.449 174.600 -0.348 0.000 1.031 277 S CA 0.875 58.876 58.200 -0.331 0.000 0.996 277 S CB -0.035 62.859 63.200 -0.509 0.000 0.882 277 S HN 0.227 nan 8.310 nan 0.000 0.445 278 I N 1.836 122.239 120.570 -0.278 0.000 2.179 278 I HA -0.119 4.051 4.170 -0.001 0.000 0.242 278 I C 2.707 178.678 176.117 -0.244 0.000 1.088 278 I CA 1.534 62.695 61.300 -0.232 0.000 1.357 278 I CB -1.981 35.989 38.000 -0.050 0.000 1.051 278 I HN 0.365 nan 8.210 nan 0.000 0.409 279 G N 0.434 109.096 108.800 -0.231 0.000 2.450 279 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.220 279 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.220 279 G C 1.835 176.335 174.900 -0.667 0.000 1.130 279 G CA 0.971 45.909 45.100 -0.271 0.000 0.760 279 G HN 0.502 nan 8.290 nan 0.000 0.557 280 A N 0.586 122.790 122.820 -1.026 0.000 1.872 280 A HA 0.171 4.490 4.320 -0.001 0.000 0.214 280 A C 2.419 179.503 177.584 -0.834 0.000 1.187 280 A CA 1.101 52.159 52.037 -1.630 0.000 0.614 280 A CB -0.379 17.552 19.000 -1.783 0.000 0.826 280 A HN 0.332 nan 8.150 nan 0.000 0.442 281 L N -1.816 119.054 121.223 -0.587 0.000 2.042 281 L HA -0.183 4.156 4.340 -0.001 0.000 0.210 281 L C 2.447 179.219 176.870 -0.165 0.000 1.076 281 L CA 1.354 55.969 54.840 -0.375 0.000 0.749 281 L CB -0.629 41.108 42.059 -0.538 0.000 0.893 281 L HN 0.355 nan 8.230 nan 0.000 0.432 282 F N -0.698 119.213 119.950 -0.066 0.000 2.259 282 F HA -0.128 4.398 4.527 -0.001 0.000 0.298 282 F C 2.916 178.689 175.800 -0.046 0.000 1.088 282 F CA 1.180 59.177 58.000 -0.006 0.000 1.358 282 F CB -0.957 38.033 39.000 -0.017 0.000 1.040 282 F HN 0.009 nan 8.300 nan 0.000 0.505 283 S N 0.615 116.309 115.700 -0.010 0.000 2.359 283 S HA -0.183 4.287 4.470 -0.001 0.000 0.224 283 S C 2.129 176.732 174.600 0.005 0.000 1.035 283 S CA 1.575 59.755 58.200 -0.032 0.000 1.018 283 S CB -0.486 62.615 63.200 -0.165 0.000 0.876 283 S HN 0.325 nan 8.310 nan 0.000 0.448 284 I N 1.098 121.665 120.570 -0.005 0.000 2.315 284 I HA -0.111 4.059 4.170 -0.001 0.000 0.248 284 I C 2.666 178.728 176.117 -0.091 0.000 1.117 284 I CA 1.003 62.311 61.300 0.014 0.000 1.404 284 I CB -0.486 37.632 38.000 0.196 0.000 1.071 284 I HN 0.266 nan 8.210 nan 0.000 0.419 285 S N 0.733 116.484 115.700 0.086 0.000 2.353 285 S HA -0.223 4.246 4.470 -0.001 0.000 0.222 285 S C 2.221 176.916 174.600 0.157 0.000 1.035 285 S CA 2.019 60.349 58.200 0.218 0.000 1.025 285 S CB -0.476 62.983 63.200 0.431 0.000 0.902 285 S HN 0.647 nan 8.310 nan 0.000 0.440 286 S N 1.981 117.755 115.700 0.125 0.000 2.423 286 S HA 0.084 4.554 4.470 -0.001 0.000 0.231 286 S C 1.929 176.502 174.600 -0.044 0.000 1.014 286 S CA 0.830 59.083 58.200 0.089 0.000 0.965 286 S CB -0.443 62.813 63.200 0.093 0.000 0.785 286 S HN 0.502 nan 8.310 nan 0.000 0.495 287 A N 1.877 124.570 122.820 -0.211 0.000 1.929 287 A HA 0.219 4.538 4.320 -0.001 0.000 0.216 287 A C 2.340 179.527 177.584 -0.663 0.000 1.176 287 A CA 1.282 53.051 52.037 -0.447 0.000 0.628 287 A CB -0.632 17.952 19.000 -0.694 0.000 0.816 287 A HN 0.558 nan 8.150 nan 0.000 0.444 288 M N -0.740 118.417 119.600 -0.738 0.000 2.099 288 M HA -0.138 4.341 4.480 -0.001 0.000 0.262 288 M C 2.214 178.285 176.300 -0.383 0.000 1.067 288 M CA 1.551 56.430 55.300 -0.702 0.000 1.124 288 M CB -0.579 31.370 32.600 -1.085 0.000 1.353 288 M HN 0.605 nan 8.290 nan 0.000 0.410 289 N N 0.384 119.004 118.700 -0.133 0.000 2.104 289 N HA -0.152 4.588 4.740 -0.001 0.000 0.190 289 N C 1.607 177.227 175.510 0.183 0.000 1.024 289 N CA 1.470 54.682 53.050 0.271 0.000 0.853 289 N CB 0.118 38.846 38.487 0.401 0.000 1.008 289 N HN 0.298 nan 8.380 nan 0.000 0.424 290 A N -0.097 122.764 122.820 0.068 0.000 1.968 290 A HA -0.046 4.273 4.320 -0.001 0.000 0.217 290 A C 2.254 179.876 177.584 0.062 0.000 1.169 290 A CA 1.485 53.569 52.037 0.079 0.000 0.638 290 A CB -0.675 18.367 19.000 0.068 0.000 0.812 290 A HN 0.322 nan 8.150 nan 0.000 0.446 291 T N 0.171 114.742 114.554 0.029 0.000 2.812 291 T HA -0.005 4.345 4.350 -0.001 0.000 0.264 291 T C 1.779 176.454 174.700 -0.042 0.000 1.042 291 T CA 1.502 63.672 62.100 0.117 0.000 1.140 291 T CB -0.299 68.708 68.868 0.232 0.000 0.870 291 T HN 0.418 nan 8.240 nan 0.000 0.445 292 I N -0.875 119.621 120.570 -0.122 0.000 2.235 292 I HA -0.020 4.150 4.170 -0.001 0.000 0.241 292 I C 0.193 176.082 176.117 -0.380 0.000 1.085 292 I CA 0.870 62.002 61.300 -0.281 0.000 1.378 292 I CB -0.063 37.639 38.000 -0.497 0.000 1.076 292 I HN 0.154 nan 8.210 nan 0.000 0.415 293 Y N 1.102 121.436 120.300 0.058 0.000 2.907 293 Y HA 0.529 5.078 4.550 -0.001 0.000 0.332 293 Y C 0.894 176.800 175.900 0.011 0.000 1.211 293 Y CA -0.145 57.980 58.100 0.042 0.000 1.387 293 Y CB 0.498 38.999 38.460 0.067 0.000 1.396 293 Y HN 0.178 nan 8.280 nan 0.000 0.519 294 G N -0.416 108.410 108.800 0.043 0.000 3.611 294 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.217 294 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.217 294 G C 0.935 175.785 174.900 -0.083 0.000 1.023 294 G CA 0.096 45.207 45.100 0.018 0.000 0.887 294 G HN 0.702 nan 8.290 nan 0.000 0.420 295 G N 0.735 109.370 108.800 -0.275 0.000 2.797 295 G HA2 0.502 4.461 3.960 -0.001 0.000 0.211 295 G HA3 0.502 4.461 3.960 -0.001 0.000 0.211 295 G C 1.899 176.151 174.900 -1.081 0.000 1.236 295 G CA 1.763 46.399 45.100 -0.774 0.000 0.833 295 G HN 1.169 nan 8.290 nan 0.000 0.624 296 A N 2.274 124.529 122.820 -0.942 0.000 1.908 296 A HA -0.158 4.162 4.320 -0.001 0.000 0.218 296 A C 2.171 179.563 177.584 -0.320 0.000 1.181 296 A CA 2.540 54.381 52.037 -0.328 0.000 0.627 296 A CB -0.815 18.225 19.000 0.067 0.000 0.818 296 A HN 0.522 nan 8.150 nan 0.000 0.445 297 N N 0.560 118.768 118.700 -0.819 0.000 2.120 297 N HA -0.129 4.611 4.740 -0.001 0.000 0.188 297 N C 1.408 176.424 175.510 -0.823 0.000 1.024 297 N CA 2.112 54.217 53.050 -1.575 0.000 0.852 297 N CB -1.192 36.439 38.487 -1.427 0.000 1.003 297 N HN 0.274 nan 8.380 nan 0.000 0.424 298 V N 1.144 120.863 119.914 -0.324 0.000 2.270 298 V HA -0.064 4.055 4.120 -0.001 0.000 0.245 298 V C 2.752 178.793 176.094 -0.088 0.000 1.043 298 V CA 1.824 64.071 62.300 -0.087 0.000 1.014 298 V CB -1.235 30.595 31.823 0.013 0.000 0.645 298 V HN 0.536 nan 8.190 nan 0.000 0.447 299 A N -1.082 121.717 122.820 -0.035 0.000 1.972 299 A HA -0.264 4.056 4.320 -0.001 0.000 0.219 299 A C 2.149 179.764 177.584 0.052 0.000 1.169 299 A CA 2.069 54.182 52.037 0.126 0.000 0.635 299 A CB -0.732 18.488 19.000 0.367 0.000 0.810 299 A HN 0.654 nan 8.150 nan 0.000 0.446 300 Y N 0.940 121.122 120.300 -0.196 0.000 2.133 300 Y HA -0.171 4.379 4.550 -0.001 0.000 0.287 300 Y C 2.774 178.446 175.900 -0.380 0.000 1.134 300 Y CA 1.970 59.778 58.100 -0.487 0.000 1.133 300 Y CB -0.451 37.749 38.460 -0.433 0.000 0.987 300 Y HN 0.283 nan 8.280 nan 0.000 0.502 301 S N 0.376 115.884 115.700 -0.320 0.000 2.399 301 S HA -0.179 4.290 4.470 -0.001 0.000 0.231 301 S C 1.876 176.317 174.600 -0.265 0.000 1.022 301 S CA 1.365 59.365 58.200 -0.334 0.000 0.983 301 S CB -0.663 62.335 63.200 -0.338 0.000 0.803 301 S HN 0.483 nan 8.310 nan 0.000 0.480 302 L N 1.730 122.852 121.223 -0.169 0.000 2.056 302 L HA 0.082 4.421 4.340 -0.001 0.000 0.207 302 L C 2.278 179.133 176.870 -0.024 0.000 1.078 302 L CA 1.866 56.678 54.840 -0.045 0.000 0.749 302 L CB -0.885 41.211 42.059 0.062 0.000 0.901 302 L HN 0.221 nan 8.230 nan 0.000 0.433 303 A N -0.811 121.950 122.820 -0.099 0.000 1.969 303 A HA -0.197 4.123 4.320 -0.001 0.000 0.218 303 A C 2.437 179.810 177.584 -0.353 0.000 1.169 303 A CA 1.729 53.707 52.037 -0.098 0.000 0.635 303 A CB -0.526 18.369 19.000 -0.175 0.000 0.810 303 A HN 0.501 nan 8.150 nan 0.000 0.445 304 K N -0.841 119.243 120.400 -0.526 0.000 2.076 304 K HA -0.110 4.210 4.320 -0.001 0.000 0.204 304 K C 0.611 177.093 176.600 -0.197 0.000 1.051 304 K CA 1.527 57.525 56.287 -0.482 0.000 0.949 304 K CB 0.035 32.159 32.500 -0.627 0.000 0.726 304 K HN 0.359 nan 8.250 nan 0.000 0.443 305 D N -1.777 118.476 120.400 -0.245 0.000 2.423 305 D HA 0.109 4.748 4.640 -0.001 0.000 0.212 305 D C 1.002 177.105 176.300 -0.328 0.000 1.060 305 D CA 0.926 54.802 54.000 -0.207 0.000 0.872 305 D CB 1.081 41.785 40.800 -0.159 0.000 1.012 305 D HN 0.439 nan 8.370 nan 0.000 0.503 306 G N 1.533 110.008 108.800 -0.543 0.000 2.176 306 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.253 306 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.253 306 G C 0.170 174.833 174.900 -0.394 0.000 0.979 306 G CA 0.719 45.233 45.100 -0.976 0.000 0.641 306 G HN 0.508 nan 8.290 nan 0.000 0.530 307 E N -1.343 118.732 120.200 -0.208 0.000 2.439 307 E HA 0.751 5.101 4.350 -0.001 0.000 0.279 307 E C -1.140 175.417 176.600 -0.071 0.000 1.077 307 E CA -1.306 55.036 56.400 -0.097 0.000 0.849 307 E CB 1.060 30.693 29.700 -0.112 0.000 1.408 307 E HN 0.247 nan 8.360 nan 0.000 0.457 308 L N 0.529 121.731 121.223 -0.035 0.000 2.333 308 L HA 0.576 4.915 4.340 -0.001 0.000 0.269 308 L C -2.294 174.580 176.870 0.006 0.000 1.010 308 L CA -2.144 52.684 54.840 -0.021 0.000 0.818 308 L CB 1.705 43.776 42.059 0.019 0.000 1.306 308 L HN 0.497 nan 8.230 nan 0.000 0.430 309 P HA 0.049 nan 4.420 nan 0.000 0.269 309 P C 0.105 177.475 177.300 0.118 0.000 1.209 309 P CA -0.168 62.990 63.100 0.097 0.000 0.776 309 P CB 0.717 32.524 31.700 0.178 0.000 0.876 310 E N 0.627 120.766 120.200 -0.102 0.000 2.152 310 E HA -0.044 4.306 4.350 -0.001 0.000 0.192 310 E C -0.402 175.749 176.600 -0.748 0.000 0.983 310 E CA 0.753 56.863 56.400 -0.484 0.000 0.818 310 E CB 0.060 29.308 29.700 -0.753 0.000 0.758 310 E HN 0.371 nan 8.360 nan 0.000 0.467 311 F N 0.385 120.377 119.950 0.070 0.000 2.539 311 F HA 0.355 4.881 4.527 -0.001 0.000 0.328 311 F C -0.666 175.190 175.800 0.093 0.000 1.148 311 F CA -1.158 56.827 58.000 -0.026 0.000 0.940 311 F CB 1.333 40.312 39.000 -0.035 0.000 1.194 311 F HN -0.126 nan 8.300 nan 0.000 0.438 312 F N -0.291 119.691 119.950 0.053 0.000 2.678 312 F HA 0.659 5.185 4.527 -0.001 0.000 0.308 312 F C -0.996 174.741 175.800 -0.105 0.000 1.118 312 F CA -1.424 56.504 58.000 -0.120 0.000 0.959 312 F CB 1.353 40.014 39.000 -0.564 0.000 1.305 312 F HN 0.274 nan 8.300 nan 0.000 0.443 313 E N 2.102 122.363 120.200 0.102 0.000 2.180 313 E HA 0.340 4.689 4.350 -0.001 0.000 0.283 313 E C 0.631 177.291 176.600 0.102 0.000 1.061 313 E CA -0.044 56.390 56.400 0.057 0.000 0.861 313 E CB 1.031 30.786 29.700 0.091 0.000 1.056 313 E HN 0.696 nan 8.360 nan 0.000 0.407 314 R N 3.088 123.562 120.500 -0.042 0.000 2.092 314 R HA -0.026 4.314 4.340 -0.001 0.000 0.231 314 R C 0.675 177.058 176.300 0.138 0.000 1.119 314 R CA 0.969 57.065 56.100 -0.007 0.000 0.970 314 R CB 0.193 30.377 30.300 -0.194 0.000 0.864 314 R HN 0.326 nan 8.270 nan 0.000 0.440 315 K N 0.573 121.028 120.400 0.092 0.000 2.469 315 K HA 0.099 4.419 4.320 -0.001 0.000 0.201 315 K C 0.264 176.851 176.600 -0.021 0.000 1.028 315 K CA 0.139 56.473 56.287 0.077 0.000 1.170 315 K CB 0.244 32.749 32.500 0.008 0.000 0.874 315 K HN 0.096 nan 8.250 nan 0.000 0.507 316 V N -4.717 115.267 119.914 0.118 0.000 3.130 316 V HA 0.464 4.583 4.120 -0.001 0.000 0.310 316 V C -0.744 175.583 176.094 0.388 0.000 1.158 316 V CA -1.349 60.999 62.300 0.080 0.000 1.029 316 V CB 2.355 34.176 31.823 -0.004 0.000 1.057 316 V HN 0.203 nan 8.190 nan 0.000 0.436 317 W N 4.444 125.853 121.300 0.183 0.000 2.598 317 W HA 0.253 4.912 4.660 -0.001 0.000 0.396 317 W C 0.724 177.175 176.519 -0.114 0.000 1.142 317 W CA -0.480 56.840 57.345 -0.041 0.000 1.568 317 W CB 0.642 29.996 29.460 -0.176 0.000 1.637 317 W HN 0.909 nan 8.180 nan 0.000 0.417 318 F N 2.493 122.383 119.950 -0.100 0.000 2.558 318 F HA 0.263 4.789 4.527 -0.001 0.000 0.298 318 F C 0.372 176.158 175.800 -0.023 0.000 1.119 318 F CA 0.495 58.478 58.000 -0.029 0.000 1.451 318 F CB -0.221 38.779 39.000 0.000 0.000 1.091 318 F HN 0.027 nan 8.300 nan 0.000 0.563 319 K N -0.160 119.950 120.400 -0.483 0.000 2.562 319 K HA 0.319 4.639 4.320 -0.001 0.000 0.267 319 K C -0.583 175.968 176.600 -0.082 0.000 0.938 319 K CA -0.588 55.569 56.287 -0.216 0.000 0.840 319 K CB 1.978 34.345 32.500 -0.222 0.000 1.390 319 K HN -0.044 nan 8.250 nan 0.000 0.428 320 S N 1.377 117.123 115.700 0.077 0.000 3.477 320 S HA -0.126 4.344 4.470 -0.001 0.000 0.426 320 S C 0.790 175.518 174.600 0.214 0.000 0.874 320 S CA 0.859 59.170 58.200 0.184 0.000 1.341 320 S CB -1.204 62.168 63.200 0.285 0.000 0.917 320 S HN 0.818 nan 8.310 nan 0.000 0.607 321 T N 1.520 116.125 114.554 0.085 0.000 2.833 321 T HA -0.185 4.165 4.350 -0.001 0.000 0.269 321 T C 2.118 176.564 174.700 -0.424 0.000 1.054 321 T CA 1.340 63.337 62.100 -0.171 0.000 1.135 321 T CB -0.205 68.653 68.868 -0.016 0.000 0.869 321 T HN 0.886 nan 8.240 nan 0.000 0.466 322 E N 2.012 122.144 120.200 -0.112 0.000 2.160 322 E HA -0.130 4.220 4.350 -0.001 0.000 0.195 322 E C 2.366 178.789 176.600 -0.295 0.000 0.991 322 E CA 1.647 58.031 56.400 -0.027 0.000 0.810 322 E CB -1.106 28.653 29.700 0.097 0.000 0.742 322 E HN 0.525 nan 8.360 nan 0.000 0.466 323 G N 1.628 110.093 108.800 -0.558 0.000 2.432 323 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.219 323 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.219 323 G C 1.603 175.732 174.900 -1.284 0.000 1.135 323 G CA 0.982 45.340 45.100 -1.236 0.000 0.767 323 G HN 0.340 nan 8.290 nan 0.000 0.550 324 L N -0.357 119.709 121.223 -1.927 0.000 2.046 324 L HA -0.023 4.316 4.340 -0.001 0.000 0.208 324 L C 2.570 178.832 176.870 -1.012 0.000 1.077 324 L CA 1.609 55.167 54.840 -2.137 0.000 0.747 324 L CB -0.629 40.203 42.059 -2.044 0.000 0.896 324 L HN 0.303 nan 8.230 nan 0.000 0.432 325 Y N -0.566 119.433 120.300 -0.503 0.000 2.263 325 Y HA -0.076 4.474 4.550 -0.001 0.000 0.292 325 Y C 2.437 178.234 175.900 -0.173 0.000 1.130 325 Y CA 1.205 59.157 58.100 -0.247 0.000 1.179 325 Y CB -0.753 37.618 38.460 -0.148 0.000 0.998 325 Y HN 0.125 nan 8.280 nan 0.000 0.532 326 I N -0.489 120.053 120.570 -0.046 0.000 2.179 326 I HA -0.318 3.851 4.170 -0.001 0.000 0.242 326 I C 2.164 178.338 176.117 0.095 0.000 1.088 326 I CA 1.863 63.197 61.300 0.055 0.000 1.357 326 I CB -0.724 37.331 38.000 0.092 0.000 1.051 326 I HN 0.193 nan 8.210 nan 0.000 0.409 327 T N -0.021 114.560 114.554 0.045 0.000 2.720 327 T HA -0.164 4.185 4.350 -0.001 0.000 0.268 327 T C 2.103 176.761 174.700 -0.069 0.000 1.037 327 T CA 1.833 63.961 62.100 0.046 0.000 1.144 327 T CB -0.190 68.729 68.868 0.085 0.000 0.864 327 T HN 0.275 nan 8.240 nan 0.000 0.444 328 S N 0.906 116.550 115.700 -0.093 0.000 2.387 328 S HA 0.089 4.558 4.470 -0.001 0.000 0.226 328 S C 2.521 177.125 174.600 0.007 0.000 1.026 328 S CA 0.768 58.944 58.200 -0.040 0.000 0.972 328 S CB -0.414 62.775 63.200 -0.018 0.000 0.814 328 S HN 0.585 nan 8.310 nan 0.000 0.477 329 A N 1.772 124.607 122.820 0.025 0.000 1.841 329 A HA 0.040 4.360 4.320 -0.001 0.000 0.214 329 A C 2.026 179.642 177.584 0.054 0.000 1.195 329 A CA 1.121 53.185 52.037 0.045 0.000 0.611 329 A CB -0.860 18.174 19.000 0.057 0.000 0.835 329 A HN 0.439 nan 8.150 nan 0.000 0.443 330 L N -0.232 121.021 121.223 0.051 0.000 2.265 330 L HA -0.091 4.248 4.340 -0.001 0.000 0.215 330 L C 2.645 179.564 176.870 0.081 0.000 1.117 330 L CA 0.698 55.589 54.840 0.084 0.000 0.782 330 L CB -0.675 41.389 42.059 0.007 0.000 0.914 330 L HN 0.509 nan 8.230 nan 0.000 0.441 331 G N -0.363 108.430 108.800 -0.013 0.000 2.422 331 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.218 331 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.218 331 G C 1.532 176.472 174.900 0.066 0.000 1.140 331 G CA 0.840 45.929 45.100 -0.018 0.000 0.775 331 G HN 0.223 nan 8.290 nan 0.000 0.545 332 V N 0.389 120.346 119.914 0.070 0.000 2.446 332 V HA 0.024 4.143 4.120 -0.001 0.000 0.244 332 V C 2.509 178.658 176.094 0.092 0.000 1.039 332 V CA 0.951 63.293 62.300 0.070 0.000 1.045 332 V CB -0.255 31.593 31.823 0.042 0.000 0.681 332 V HN 0.309 nan 8.190 nan 0.000 0.459 333 L N -0.660 120.629 121.223 0.110 0.000 2.261 333 L HA -0.077 4.263 4.340 -0.001 0.000 0.216 333 L C 1.870 178.786 176.870 0.078 0.000 1.114 333 L CA 1.964 56.853 54.840 0.082 0.000 0.777 333 L CB -0.537 41.575 42.059 0.089 0.000 0.910 333 L HN 0.261 nan 8.230 nan 0.000 0.440 334 F N -1.867 118.111 119.950 0.045 0.000 2.619 334 F HA 0.180 4.706 4.527 -0.001 0.000 0.293 334 F C 2.234 178.131 175.800 0.162 0.000 1.119 334 F CA 0.559 58.643 58.000 0.140 0.000 1.445 334 F CB -0.158 38.863 39.000 0.034 0.000 1.119 334 F HN 0.093 nan 8.300 nan 0.000 0.573 335 A N -0.308 122.650 122.820 0.230 0.000 2.072 335 A HA 0.077 4.397 4.320 -0.001 0.000 0.216 335 A C 2.000 179.642 177.584 0.096 0.000 1.156 335 A CA 0.684 52.813 52.037 0.154 0.000 0.701 335 A CB -0.540 18.527 19.000 0.111 0.000 0.816 335 A HN 0.340 nan 8.150 nan 0.000 0.458 336 L N -0.719 120.534 121.223 0.050 0.000 2.049 336 L HA -0.079 4.261 4.340 -0.001 0.000 0.203 336 L C 2.476 179.322 176.870 -0.041 0.000 1.074 336 L CA 0.871 55.706 54.840 -0.008 0.000 0.749 336 L CB -0.622 41.415 42.059 -0.035 0.000 0.907 336 L HN 0.346 nan 8.230 nan 0.000 0.439 337 L N -1.100 120.051 121.223 -0.120 0.000 1.961 337 L HA -0.101 4.238 4.340 -0.001 0.000 0.209 337 L C 0.628 177.382 176.870 -0.195 0.000 1.075 337 L CA 1.023 55.700 54.840 -0.272 0.000 0.749 337 L CB -0.540 41.124 42.059 -0.659 0.000 0.890 337 L HN -0.031 nan 8.230 nan 0.000 0.433 338 F N 0.424 120.413 119.950 0.065 0.000 2.380 338 F HA 0.170 4.697 4.527 -0.001 0.000 0.325 338 F C 0.760 176.606 175.800 0.077 0.000 1.136 338 F CA -1.058 56.989 58.000 0.079 0.000 1.171 338 F CB 0.097 39.087 39.000 -0.016 0.000 1.230 338 F HN 0.134 nan 8.300 nan 0.000 0.554 339 N N 0.577 119.444 118.700 0.279 0.000 2.418 339 N HA 0.250 4.989 4.740 -0.001 0.000 0.283 339 N C 0.839 176.442 175.510 0.155 0.000 1.267 339 N CA -0.660 52.497 53.050 0.179 0.000 0.975 339 N CB 0.402 38.975 38.487 0.145 0.000 1.167 339 N HN 0.641 nan 8.380 nan 0.000 0.581 340 M N -0.355 119.313 119.600 0.115 0.000 2.149 340 M HA -0.152 4.327 4.480 -0.001 0.000 0.261 340 M C 1.841 178.178 176.300 0.061 0.000 1.064 340 M CA 1.701 57.050 55.300 0.083 0.000 1.102 340 M CB -0.794 31.856 32.600 0.084 0.000 1.369 340 M HN 0.834 nan 8.290 nan 0.000 0.408 341 E N -1.147 119.103 120.200 0.084 0.000 2.077 341 E HA -0.134 4.215 4.350 -0.001 0.000 0.193 341 E C 1.943 178.575 176.600 0.054 0.000 0.989 341 E CA 1.289 57.736 56.400 0.078 0.000 0.800 341 E CB -0.517 29.252 29.700 0.114 0.000 0.746 341 E HN 0.644 nan 8.360 nan 0.000 0.452 342 G N 0.702 109.550 108.800 0.080 0.000 2.453 342 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.215 342 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.215 342 G C 1.660 176.467 174.900 -0.156 0.000 1.201 342 G CA 1.201 46.301 45.100 0.000 0.000 0.784 342 G HN 0.234 nan 8.290 nan 0.000 0.545 343 V N 1.900 121.780 119.914 -0.057 0.000 2.252 343 V HA -0.227 3.892 4.120 -0.001 0.000 0.249 343 V C 3.373 179.391 176.094 -0.126 0.000 1.056 343 V CA 2.307 64.556 62.300 -0.085 0.000 1.022 343 V CB -1.186 30.638 31.823 0.002 0.000 0.641 343 V HN 0.500 nan 8.190 nan 0.000 0.445 344 A N -0.379 122.386 122.820 -0.092 0.000 1.940 344 A HA -0.223 4.096 4.320 -0.001 0.000 0.219 344 A C 2.468 180.007 177.584 -0.075 0.000 1.176 344 A CA 2.365 54.341 52.037 -0.103 0.000 0.631 344 A CB -0.708 18.225 19.000 -0.112 0.000 0.814 344 A HN 0.531 nan 8.150 nan 0.000 0.446 345 S N -0.259 115.400 115.700 -0.068 0.000 2.383 345 S HA -0.071 4.399 4.470 -0.001 0.000 0.227 345 S C 1.764 176.313 174.600 -0.084 0.000 1.026 345 S CA 1.445 59.619 58.200 -0.043 0.000 0.981 345 S CB -0.453 62.734 63.200 -0.020 0.000 0.818 345 S HN 0.569 nan 8.310 nan 0.000 0.472 346 I N 1.378 121.835 120.570 -0.188 0.000 2.286 346 I HA -0.135 4.035 4.170 -0.001 0.000 0.245 346 I C 2.479 178.457 176.117 -0.232 0.000 1.104 346 I CA 1.018 62.168 61.300 -0.251 0.000 1.397 346 I CB -0.937 36.847 38.000 -0.361 0.000 1.072 346 I HN 0.216 nan 8.210 nan 0.000 0.417 347 T N 0.217 114.645 114.554 -0.210 0.000 2.652 347 T HA -0.180 4.170 4.350 -0.001 0.000 0.267 347 T C 2.159 176.824 174.700 -0.059 0.000 1.039 347 T CA 2.006 63.977 62.100 -0.215 0.000 1.153 347 T CB -0.279 68.512 68.868 -0.128 0.000 0.863 347 T HN 0.260 nan 8.240 nan 0.000 0.428 348 S N 1.138 116.879 115.700 0.069 0.000 2.382 348 S HA -0.015 4.454 4.470 -0.001 0.000 0.228 348 S C 2.556 177.232 174.600 0.127 0.000 1.027 348 S CA 0.913 59.218 58.200 0.174 0.000 0.991 348 S CB -0.546 62.774 63.200 0.200 0.000 0.823 348 S HN 0.588 nan 8.310 nan 0.000 0.469 349 A N 1.035 123.939 122.820 0.140 0.000 1.902 349 A HA -0.048 4.271 4.320 -0.001 0.000 0.217 349 A C 2.333 180.139 177.584 0.370 0.000 1.181 349 A CA 1.504 53.765 52.037 0.375 0.000 0.623 349 A CB -0.885 18.325 19.000 0.351 0.000 0.818 349 A HN 0.345 nan 8.150 nan 0.000 0.443 350 V N -1.293 118.651 119.914 0.050 0.000 2.358 350 V HA -0.237 3.882 4.120 -0.001 0.000 0.246 350 V C 2.309 178.254 176.094 -0.249 0.000 1.047 350 V CA 1.986 64.225 62.300 -0.101 0.000 1.035 350 V CB -0.909 30.646 31.823 -0.447 0.000 0.658 350 V HN 0.612 nan 8.190 nan 0.000 0.452 351 F N -0.984 118.772 119.950 -0.323 0.000 2.134 351 F HA -0.214 4.313 4.527 -0.001 0.000 0.299 351 F C 2.494 177.640 175.800 -1.090 0.000 1.097 351 F CA 1.632 59.202 58.000 -0.717 0.000 1.264 351 F CB -0.244 38.394 39.000 -0.604 0.000 1.001 351 F HN 0.073 nan 8.300 nan 0.000 0.479 352 M N -0.584 118.721 119.600 -0.492 0.000 2.117 352 M HA -0.203 4.276 4.480 -0.001 0.000 0.262 352 M C 2.116 178.141 176.300 -0.458 0.000 1.065 352 M CA 1.219 56.215 55.300 -0.507 0.000 1.114 352 M CB -0.381 32.035 32.600 -0.306 0.000 1.361 352 M HN -0.008 nan 8.290 nan 0.000 0.408 353 V N 0.572 120.211 119.914 -0.457 0.000 2.343 353 V HA -0.269 3.851 4.120 -0.001 0.000 0.247 353 V C 2.141 178.208 176.094 -0.046 0.000 1.051 353 V CA 1.666 63.737 62.300 -0.382 0.000 1.036 353 V CB -0.546 31.027 31.823 -0.417 0.000 0.654 353 V HN 0.423 nan 8.190 nan 0.000 0.451 354 I N -0.914 119.599 120.570 -0.096 0.000 2.127 354 I HA -0.290 3.879 4.170 -0.001 0.000 0.241 354 I C 2.494 178.701 176.117 0.149 0.000 1.075 354 I CA 1.889 63.198 61.300 0.015 0.000 1.334 354 I CB -0.519 37.447 38.000 -0.058 0.000 1.040 354 I HN 0.266 nan 8.210 nan 0.000 0.405 355 Y N 0.611 120.937 120.300 0.044 0.000 2.181 355 Y HA -0.177 4.372 4.550 -0.001 0.000 0.288 355 Y C 2.415 178.319 175.900 0.007 0.000 1.146 355 Y CA 0.783 58.897 58.100 0.024 0.000 1.164 355 Y CB -1.206 37.180 38.460 -0.124 0.000 0.982 355 Y HN 0.106 nan 8.280 nan 0.000 0.515 356 L N -1.684 119.560 121.223 0.035 0.000 2.042 356 L HA -0.256 4.083 4.340 -0.001 0.000 0.210 356 L C 2.144 179.024 176.870 0.017 0.000 1.076 356 L CA 1.490 56.274 54.840 -0.094 0.000 0.749 356 L CB -0.660 41.145 42.059 -0.424 0.000 0.893 356 L HN 0.105 nan 8.230 nan 0.000 0.432 357 F N -1.457 118.535 119.950 0.069 0.000 2.407 357 F HA -0.124 4.402 4.527 -0.001 0.000 0.299 357 F C 2.203 178.053 175.800 0.083 0.000 1.097 357 F CA 0.669 58.712 58.000 0.072 0.000 1.422 357 F CB -0.412 38.596 39.000 0.013 0.000 1.067 357 F HN -0.205 nan 8.300 nan 0.000 0.539 358 V N 0.134 120.197 119.914 0.248 0.000 2.379 358 V HA -0.256 3.863 4.120 -0.001 0.000 0.245 358 V C 2.229 178.389 176.094 0.111 0.000 1.044 358 V CA 1.571 63.950 62.300 0.131 0.000 1.036 358 V CB -0.464 31.366 31.823 0.011 0.000 0.664 358 V HN 0.254 nan 8.190 nan 0.000 0.453 359 I N -0.388 120.287 120.570 0.174 0.000 2.286 359 I HA -0.234 3.935 4.170 -0.001 0.000 0.248 359 I C 2.384 178.606 176.117 0.174 0.000 1.115 359 I CA 1.270 62.705 61.300 0.225 0.000 1.392 359 I CB -0.377 37.800 38.000 0.295 0.000 1.065 359 I HN 0.297 nan 8.210 nan 0.000 0.418 360 L N 0.385 121.678 121.223 0.116 0.000 2.046 360 L HA -0.182 4.157 4.340 -0.001 0.000 0.208 360 L C 2.597 179.520 176.870 0.089 0.000 1.077 360 L CA 1.858 56.695 54.840 -0.005 0.000 0.747 360 L CB -0.505 41.513 42.059 -0.069 0.000 0.896 360 L HN 0.081 nan 8.230 nan 0.000 0.432 361 S N -1.526 114.246 115.700 0.120 0.000 2.368 361 S HA -0.266 4.203 4.470 -0.001 0.000 0.225 361 S C 1.952 176.602 174.600 0.084 0.000 1.030 361 S CA 1.362 59.621 58.200 0.098 0.000 0.999 361 S CB -0.710 62.558 63.200 0.113 0.000 0.844 361 S HN 0.696 nan 8.310 nan 0.000 0.459 362 H N -0.880 118.170 119.070 -0.033 0.000 2.387 362 H HA -0.163 4.392 4.556 -0.001 0.000 0.299 362 H C 2.196 177.523 175.328 -0.001 0.000 1.090 362 H CA 1.583 57.590 56.048 -0.068 0.000 1.332 362 H CB -0.166 29.552 29.762 -0.072 0.000 1.386 362 H HN 0.490 nan 8.280 nan 0.000 0.516 363 Y N 1.169 121.381 120.300 -0.146 0.000 2.163 363 Y HA -0.161 4.388 4.550 -0.001 0.000 0.288 363 Y C 2.396 178.209 175.900 -0.144 0.000 1.136 363 Y CA 1.571 59.548 58.100 -0.205 0.000 1.147 363 Y CB -0.382 37.964 38.460 -0.190 0.000 0.987 363 Y HN 0.148 nan 8.280 nan 0.000 0.509 364 I N -0.176 120.349 120.570 -0.074 0.000 2.286 364 I HA -0.288 3.881 4.170 -0.001 0.000 0.248 364 I C 1.378 177.405 176.117 -0.151 0.000 1.115 364 I CA 1.348 62.572 61.300 -0.127 0.000 1.392 364 I CB -0.219 37.768 38.000 -0.022 0.000 1.065 364 I HN 0.186 nan 8.210 nan 0.000 0.418 365 L N -0.147 121.013 121.223 -0.106 0.000 2.741 365 L HA 0.182 4.522 4.340 -0.001 0.000 0.237 365 L C 1.889 178.700 176.870 -0.097 0.000 1.178 365 L CA -0.073 54.715 54.840 -0.086 0.000 0.973 365 L CB 0.156 42.184 42.059 -0.050 0.000 1.255 365 L HN 0.182 nan 8.230 nan 0.000 0.498 366 I N 0.316 120.780 120.570 -0.177 0.000 2.423 366 I HA -0.291 3.878 4.170 -0.001 0.000 0.254 366 I C 1.801 177.841 176.117 -0.128 0.000 1.151 366 I CA 1.422 62.607 61.300 -0.192 0.000 1.421 366 I CB 0.209 38.018 38.000 -0.318 0.000 1.079 366 I HN 0.341 nan 8.210 nan 0.000 0.431 367 D N 0.223 120.546 120.400 -0.129 0.000 2.183 367 D HA -0.199 4.440 4.640 -0.001 0.000 0.203 367 D C 1.932 178.195 176.300 -0.063 0.000 0.969 367 D CA 1.029 54.974 54.000 -0.091 0.000 0.842 367 D CB 0.044 40.788 40.800 -0.093 0.000 0.957 367 D HN 0.530 nan 8.370 nan 0.000 0.484 368 E N 0.349 120.513 120.200 -0.060 0.000 2.060 368 E HA -0.103 4.246 4.350 -0.001 0.000 0.189 368 E C 2.029 178.604 176.600 -0.041 0.000 0.974 368 E CA 0.807 57.181 56.400 -0.044 0.000 0.808 368 E CB 0.404 30.079 29.700 -0.042 0.000 0.768 368 E HN 0.148 nan 8.360 nan 0.000 0.453 369 V N -2.489 117.401 119.914 -0.040 0.000 3.354 369 V HA 0.380 4.499 4.120 -0.001 0.000 0.258 369 V C 0.967 177.045 176.094 -0.028 0.000 1.159 369 V CA 0.481 62.755 62.300 -0.043 0.000 1.125 369 V CB -0.356 31.430 31.823 -0.060 0.000 0.774 369 V HN 0.393 nan 8.190 nan 0.000 0.464 370 G N -0.498 108.294 108.800 -0.013 0.000 2.698 370 G HA2 0.397 4.356 3.960 -0.001 0.000 0.225 370 G HA3 0.397 4.356 3.960 -0.001 0.000 0.225 370 G C 0.354 175.279 174.900 0.042 0.000 1.345 370 G CA -0.306 44.790 45.100 -0.007 0.000 0.871 370 G HN 2.482 nan 8.290 nan 0.000 0.540 371 G N -1.587 107.238 108.800 0.041 0.000 2.619 371 G HA2 0.397 4.357 3.960 -0.001 0.000 0.686 371 G HA3 0.397 4.357 3.960 -0.001 0.000 0.686 371 G C -0.397 174.587 174.900 0.140 0.000 1.256 371 G CA 0.221 45.393 45.100 0.120 0.000 0.826 371 G HN 1.280 nan 8.290 nan 0.000 0.619 372 R N 0.517 121.182 120.500 0.274 0.000 2.308 372 R HA 0.307 4.647 4.340 -0.001 0.000 0.305 372 R C 1.425 177.808 176.300 0.137 0.000 1.053 372 R CA -0.346 55.847 56.100 0.154 0.000 0.957 372 R CB 1.316 31.684 30.300 0.115 0.000 1.022 372 R HN 0.710 nan 8.270 nan 0.000 0.461 373 K N 1.827 122.275 120.400 0.081 0.000 2.147 373 K HA -0.180 4.140 4.320 -0.001 0.000 0.205 373 K C 1.274 177.947 176.600 0.122 0.000 1.049 373 K CA 1.529 57.888 56.287 0.120 0.000 0.936 373 K CB 0.222 32.794 32.500 0.120 0.000 0.722 373 K HN 0.424 nan 8.250 nan 0.000 0.446 374 E N 0.993 121.238 120.200 0.075 0.000 2.077 374 E HA -0.144 4.205 4.350 -0.001 0.000 0.193 374 E C 1.854 178.495 176.600 0.069 0.000 0.989 374 E CA 1.102 57.532 56.400 0.050 0.000 0.800 374 E CB -0.194 29.507 29.700 0.001 0.000 0.746 374 E HN 0.294 nan 8.360 nan 0.000 0.452 375 I N -0.040 120.551 120.570 0.035 0.000 2.353 375 I HA -0.204 3.965 4.170 -0.001 0.000 0.248 375 I C 2.034 178.241 176.117 0.150 0.000 1.119 375 I CA 0.529 61.828 61.300 -0.002 0.000 1.417 375 I CB -0.232 37.555 38.000 -0.356 0.000 1.078 375 I HN -0.015 nan 8.210 nan 0.000 0.421 376 V N 1.336 121.372 119.914 0.204 0.000 2.261 376 V HA -0.275 3.845 4.120 -0.001 0.000 0.246 376 V C 2.374 178.559 176.094 0.152 0.000 1.047 376 V CA 1.964 64.406 62.300 0.236 0.000 1.015 376 V CB -0.432 31.492 31.823 0.167 0.000 0.642 376 V HN 0.314 nan 8.190 nan 0.000 0.446 377 I N -0.762 119.855 120.570 0.078 0.000 2.208 377 I HA -0.279 3.891 4.170 -0.001 0.000 0.245 377 I C 2.324 178.523 176.117 0.136 0.000 1.097 377 I CA 1.936 63.243 61.300 0.013 0.000 1.363 377 I CB -0.430 37.548 38.000 -0.036 0.000 1.051 377 I HN 0.330 nan 8.210 nan 0.000 0.413 378 F N 1.450 121.416 119.950 0.027 0.000 2.134 378 F HA -0.248 4.278 4.527 -0.001 0.000 0.299 378 F C 2.632 178.467 175.800 0.060 0.000 1.097 378 F CA 1.856 59.873 58.000 0.028 0.000 1.264 378 F CB -0.358 38.640 39.000 -0.005 0.000 1.001 378 F HN -0.068 nan 8.300 nan 0.000 0.479 379 S N 0.204 115.943 115.700 0.065 0.000 2.368 379 S HA -0.187 4.282 4.470 -0.001 0.000 0.224 379 S C 1.834 176.436 174.600 0.003 0.000 1.029 379 S CA 1.248 59.454 58.200 0.010 0.000 0.988 379 S CB -0.872 62.437 63.200 0.182 0.000 0.838 379 S HN 0.503 nan 8.310 nan 0.000 0.462 380 F N 2.189 122.092 119.950 -0.078 0.000 2.102 380 F HA -0.087 4.439 4.527 -0.001 0.000 0.298 380 F C 1.828 177.543 175.800 -0.141 0.000 1.105 380 F CA 1.207 59.141 58.000 -0.109 0.000 1.239 380 F CB -0.333 38.582 39.000 -0.141 0.000 0.991 380 F HN 0.112 nan 8.300 nan 0.000 0.474 381 I N -0.987 119.542 120.570 -0.069 0.000 2.202 381 I HA -0.276 3.893 4.170 -0.001 0.000 0.242 381 I C 2.269 178.235 176.117 -0.251 0.000 1.091 381 I CA 1.014 62.221 61.300 -0.156 0.000 1.368 381 I CB -0.696 37.259 38.000 -0.075 0.000 1.058 381 I HN -0.051 nan 8.210 nan 0.000 0.410 382 V N 0.556 120.270 119.914 -0.333 0.000 2.255 382 V HA -0.265 3.854 4.120 -0.001 0.000 0.247 382 V C 2.464 178.421 176.094 -0.229 0.000 1.051 382 V CA 1.848 63.961 62.300 -0.312 0.000 1.018 382 V CB -0.512 31.068 31.823 -0.404 0.000 0.641 382 V HN 0.248 nan 8.190 nan 0.000 0.445 383 V N -0.470 119.334 119.914 -0.183 0.000 2.343 383 V HA -0.234 3.885 4.120 -0.001 0.000 0.247 383 V C 2.348 178.334 176.094 -0.179 0.000 1.051 383 V CA 1.986 64.226 62.300 -0.100 0.000 1.036 383 V CB -0.614 31.175 31.823 -0.056 0.000 0.654 383 V HN 0.501 nan 8.190 nan 0.000 0.451 384 L N 1.336 122.360 121.223 -0.331 0.000 2.046 384 L HA -0.041 4.298 4.340 -0.001 0.000 0.208 384 L C 2.341 179.153 176.870 -0.097 0.000 1.077 384 L CA 2.431 57.097 54.840 -0.291 0.000 0.747 384 L CB -1.230 40.553 42.059 -0.460 0.000 0.896 384 L HN 0.274 nan 8.230 nan 0.000 0.432 385 G N -1.324 107.398 108.800 -0.130 0.000 2.418 385 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.217 385 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.217 385 G C 1.533 176.391 174.900 -0.070 0.000 1.158 385 G CA 0.972 46.015 45.100 -0.095 0.000 0.771 385 G HN 0.319 nan 8.290 nan 0.000 0.545 386 V N 0.398 120.247 119.914 -0.109 0.000 2.407 386 V HA -0.146 3.973 4.120 -0.001 0.000 0.248 386 V C 2.324 178.454 176.094 0.060 0.000 1.055 386 V CA 1.792 64.032 62.300 -0.099 0.000 1.049 386 V CB -0.600 31.050 31.823 -0.288 0.000 0.662 386 V HN 0.374 nan 8.190 nan 0.000 0.455 387 F N 0.461 120.366 119.950 -0.074 0.000 2.102 387 F HA -0.149 4.378 4.527 -0.001 0.000 0.298 387 F C 2.008 177.816 175.800 0.013 0.000 1.105 387 F CA 1.643 59.615 58.000 -0.045 0.000 1.239 387 F CB -0.287 38.636 39.000 -0.129 0.000 0.991 387 F HN 0.033 nan 8.300 nan 0.000 0.474 388 L N -0.423 120.774 121.223 -0.043 0.000 2.056 388 L HA -0.220 4.120 4.340 -0.001 0.000 0.207 388 L C 2.500 179.389 176.870 0.032 0.000 1.078 388 L CA 1.033 55.827 54.840 -0.076 0.000 0.749 388 L CB -0.808 41.241 42.059 -0.016 0.000 0.901 388 L HN 0.187 nan 8.230 nan 0.000 0.433 389 L N -0.631 120.638 121.223 0.076 0.000 2.042 389 L HA -0.254 4.085 4.340 -0.001 0.000 0.210 389 L C 2.532 179.635 176.870 0.388 0.000 1.076 389 L CA 1.028 56.014 54.840 0.243 0.000 0.749 389 L CB -0.387 41.740 42.059 0.114 0.000 0.893 389 L HN 0.256 nan 8.230 nan 0.000 0.432 390 L N -0.652 120.685 121.223 0.191 0.000 2.056 390 L HA -0.186 4.153 4.340 -0.001 0.000 0.207 390 L C 2.233 179.189 176.870 0.144 0.000 1.078 390 L CA 1.658 56.592 54.840 0.157 0.000 0.749 390 L CB -0.269 41.827 42.059 0.061 0.000 0.901 390 L HN 0.109 nan 8.230 nan 0.000 0.433 391 L N -1.930 119.305 121.223 0.020 0.000 2.093 391 L HA -0.213 4.127 4.340 -0.001 0.000 0.208 391 L C 2.441 179.505 176.870 0.323 0.000 1.085 391 L CA 1.249 56.169 54.840 0.134 0.000 0.755 391 L CB -0.646 41.375 42.059 -0.063 0.000 0.904 391 L HN 0.325 nan 8.230 nan 0.000 0.435 392 Y N -0.711 119.675 120.300 0.143 0.000 2.242 392 Y HA -0.325 4.224 4.550 -0.001 0.000 0.291 392 Y C 2.588 178.566 175.900 0.131 0.000 1.137 392 Y CA 1.475 59.656 58.100 0.134 0.000 1.181 392 Y CB -0.284 38.268 38.460 0.153 0.000 0.989 392 Y HN 0.106 nan 8.280 nan 0.000 0.527 393 Y N 0.615 120.951 120.300 0.060 0.000 2.145 393 Y HA -0.286 4.264 4.550 -0.001 0.000 0.286 393 Y C 2.314 178.101 175.900 -0.188 0.000 1.145 393 Y CA 2.092 60.021 58.100 -0.286 0.000 1.148 393 Y CB -0.285 37.924 38.460 -0.418 0.000 0.981 393 Y HN 0.116 nan 8.280 nan 0.000 0.507 394 Q N -0.414 119.447 119.800 0.102 0.000 2.167 394 Q HA -0.247 4.093 4.340 -0.001 0.000 0.202 394 Q C 2.194 178.153 176.000 -0.069 0.000 0.970 394 Q CA 1.428 57.271 55.803 0.067 0.000 0.855 394 Q CB -1.119 27.761 28.738 0.236 0.000 0.911 394 Q HN 0.775 nan 8.270 nan 0.000 0.438 395 W N 2.114 123.184 121.300 -0.383 0.000 2.350 395 W HA -0.187 4.472 4.660 -0.001 0.000 0.289 395 W C 1.508 177.670 176.519 -0.595 0.000 1.215 395 W CA 1.604 58.472 57.345 -0.795 0.000 1.236 395 W CB 0.134 29.011 29.460 -0.973 0.000 1.130 395 W HN 0.233 nan 8.180 nan 0.000 0.541 396 I N -3.235 117.005 120.570 -0.550 0.000 3.790 396 I HA 0.071 4.241 4.170 -0.001 0.000 0.305 396 I C 1.785 177.612 176.117 -0.483 0.000 1.253 396 I CA 0.714 61.673 61.300 -0.569 0.000 1.355 396 I CB -0.312 37.396 38.000 -0.486 0.000 1.137 396 I HN -0.354 nan 8.210 nan 0.000 0.435 397 T N 0.588 114.827 114.554 -0.524 0.000 2.904 397 T HA 0.103 4.453 4.350 -0.001 0.000 0.243 397 T C 0.802 175.345 174.700 -0.261 0.000 1.024 397 T CA 0.731 62.550 62.100 -0.468 0.000 1.158 397 T CB -0.170 68.233 68.868 -0.774 0.000 0.867 397 T HN 0.202 nan 8.240 nan 0.000 0.429 398 N N 0.781 119.369 118.700 -0.186 0.000 2.690 398 N HA 0.270 5.009 4.740 -0.001 0.000 0.255 398 N C 0.338 175.845 175.510 -0.005 0.000 1.195 398 N CA -0.212 52.815 53.050 -0.039 0.000 0.790 398 N CB 0.976 39.500 38.487 0.062 0.000 1.216 398 N HN 0.079 nan 8.380 nan 0.000 0.528 399 R N 1.473 121.923 120.500 -0.083 0.000 2.193 399 R HA -0.079 4.261 4.340 -0.001 0.000 0.229 399 R C 1.402 177.756 176.300 0.089 0.000 1.110 399 R CA 1.044 57.059 56.100 -0.140 0.000 0.988 399 R CB -0.109 29.992 30.300 -0.332 0.000 0.871 399 R HN 0.432 nan 8.270 nan 0.000 0.458 400 F N 0.286 120.283 119.950 0.079 0.000 2.134 400 F HA -0.155 4.371 4.527 -0.001 0.000 0.299 400 F C 1.686 177.655 175.800 0.283 0.000 1.097 400 F CA 1.291 59.408 58.000 0.195 0.000 1.264 400 F CB -0.403 38.662 39.000 0.108 0.000 1.001 400 F HN -0.209 nan 8.300 nan 0.000 0.479 401 V N 0.129 120.091 119.914 0.079 0.000 2.427 401 V HA -0.269 3.851 4.120 -0.001 0.000 0.248 401 V C 2.264 178.342 176.094 -0.025 0.000 1.051 401 V CA 1.851 64.148 62.300 -0.006 0.000 1.048 401 V CB -1.134 30.717 31.823 0.047 0.000 0.666 401 V HN 0.444 nan 8.190 nan 0.000 0.456 402 F N 0.325 120.211 119.950 -0.107 0.000 2.095 402 F HA -0.236 4.290 4.527 -0.001 0.000 0.298 402 F C 2.229 177.977 175.800 -0.086 0.000 1.104 402 F CA 1.832 59.756 58.000 -0.126 0.000 1.232 402 F CB -0.316 38.575 39.000 -0.181 0.000 0.987 402 F HN 0.177 nan 8.300 nan 0.000 0.475 403 Y N 0.285 120.683 120.300 0.163 0.000 2.314 403 Y HA 0.057 4.606 4.550 -0.001 0.000 0.293 403 Y C 2.683 178.548 175.900 -0.059 0.000 1.129 403 Y CA 0.798 58.937 58.100 0.065 0.000 1.201 403 Y CB -1.415 37.150 38.460 0.175 0.000 0.999 403 Y HN 0.114 nan 8.280 nan 0.000 0.541 404 G N -0.065 108.751 108.800 0.027 0.000 2.432 404 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.219 404 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.219 404 G C 1.705 176.497 174.900 -0.179 0.000 1.135 404 G CA 1.111 46.190 45.100 -0.035 0.000 0.767 404 G HN 0.399 nan 8.290 nan 0.000 0.550 405 I N 0.543 120.969 120.570 -0.239 0.000 2.235 405 I HA -0.049 4.120 4.170 -0.001 0.000 0.241 405 I C 2.492 178.491 176.117 -0.196 0.000 1.085 405 I CA 0.349 61.482 61.300 -0.278 0.000 1.378 405 I CB -0.091 37.769 38.000 -0.233 0.000 1.076 405 I HN 0.027 nan 8.210 nan 0.000 0.415 406 I N 1.242 121.717 120.570 -0.158 0.000 2.226 406 I HA -0.264 3.905 4.170 -0.001 0.000 0.245 406 I C 2.842 179.001 176.117 0.070 0.000 1.100 406 I CA 1.691 62.984 61.300 -0.013 0.000 1.374 406 I CB -1.514 36.419 38.000 -0.111 0.000 1.057 406 I HN 0.185 nan 8.210 nan 0.000 0.413 407 A N 0.449 123.294 122.820 0.040 0.000 1.902 407 A HA -0.196 4.123 4.320 -0.001 0.000 0.217 407 A C 2.430 180.029 177.584 0.026 0.000 1.181 407 A CA 2.359 54.429 52.037 0.055 0.000 0.623 407 A CB -1.054 17.978 19.000 0.054 0.000 0.818 407 A HN 0.411 nan 8.150 nan 0.000 0.443 408 T N -0.188 114.325 114.554 -0.068 0.000 2.652 408 T HA -0.158 4.191 4.350 -0.001 0.000 0.267 408 T C 1.521 176.143 174.700 -0.130 0.000 1.039 408 T CA 1.831 63.846 62.100 -0.143 0.000 1.153 408 T CB -0.493 68.183 68.868 -0.319 0.000 0.863 408 T HN 0.404 nan 8.240 nan 0.000 0.428 409 F N 0.819 120.778 119.950 0.015 0.000 2.171 409 F HA 0.060 4.586 4.527 -0.001 0.000 0.300 409 F C 2.173 177.997 175.800 0.041 0.000 1.090 409 F CA 0.332 58.344 58.000 0.019 0.000 1.293 409 F CB -0.774 38.243 39.000 0.029 0.000 1.013 409 F HN 0.159 nan 8.300 nan 0.000 0.486 410 I N -0.645 120.057 120.570 0.220 0.000 2.233 410 I HA -0.143 4.026 4.170 -0.001 0.000 0.243 410 I C 2.779 178.980 176.117 0.142 0.000 1.093 410 I CA 1.327 62.723 61.300 0.161 0.000 1.380 410 I CB -1.168 36.912 38.000 0.134 0.000 1.067 410 I HN 0.159 nan 8.210 nan 0.000 0.413 411 G N 0.536 109.410 108.800 0.123 0.000 2.442 411 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.219 411 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.219 411 G C 1.717 176.717 174.900 0.167 0.000 1.141 411 G CA 0.909 46.089 45.100 0.133 0.000 0.763 411 G HN 0.236 nan 8.290 nan 0.000 0.554 412 V N 0.366 120.359 119.914 0.132 0.000 2.358 412 V HA -0.087 4.033 4.120 -0.001 0.000 0.246 412 V C 2.668 178.876 176.094 0.190 0.000 1.047 412 V CA 1.571 63.960 62.300 0.148 0.000 1.035 412 V CB -0.247 31.631 31.823 0.091 0.000 0.658 412 V HN 0.355 nan 8.190 nan 0.000 0.452 413 L N -0.436 120.885 121.223 0.164 0.000 2.056 413 L HA -0.101 4.238 4.340 -0.001 0.000 0.207 413 L C 2.189 179.147 176.870 0.146 0.000 1.078 413 L CA 1.867 56.790 54.840 0.139 0.000 0.749 413 L CB -0.428 41.703 42.059 0.120 0.000 0.901 413 L HN 0.138 nan 8.230 nan 0.000 0.433 414 I N -1.112 119.554 120.570 0.161 0.000 2.202 414 I HA -0.275 3.894 4.170 -0.001 0.000 0.242 414 I C 2.464 178.687 176.117 0.176 0.000 1.091 414 I CA 1.427 62.816 61.300 0.148 0.000 1.368 414 I CB -1.359 36.726 38.000 0.142 0.000 1.058 414 I HN 0.270 nan 8.210 nan 0.000 0.410 415 F N 2.180 122.187 119.950 0.095 0.000 2.161 415 F HA -0.268 4.258 4.527 -0.001 0.000 0.300 415 F C 2.537 178.412 175.800 0.125 0.000 1.089 415 F CA 2.003 60.069 58.000 0.110 0.000 1.282 415 F CB -0.048 39.019 39.000 0.111 0.000 1.010 415 F HN 0.092 nan 8.300 nan 0.000 0.485 416 E N 0.866 121.224 120.200 0.264 0.000 2.077 416 E HA -0.201 4.148 4.350 -0.001 0.000 0.193 416 E C 2.014 178.680 176.600 0.110 0.000 0.989 416 E CA 2.021 58.535 56.400 0.190 0.000 0.800 416 E CB -0.627 29.176 29.700 0.171 0.000 0.746 416 E HN 0.569 nan 8.360 nan 0.000 0.452 417 I N 0.135 120.751 120.570 0.077 0.000 2.226 417 I HA -0.246 3.923 4.170 -0.001 0.000 0.245 417 I C 2.340 178.454 176.117 -0.005 0.000 1.100 417 I CA 1.064 62.389 61.300 0.041 0.000 1.374 417 I CB -0.281 37.745 38.000 0.043 0.000 1.057 417 I HN 0.147 nan 8.210 nan 0.000 0.413 418 I N -0.476 120.064 120.570 -0.050 0.000 2.179 418 I HA -0.331 3.839 4.170 -0.001 0.000 0.242 418 I C 2.599 178.619 176.117 -0.161 0.000 1.088 418 I CA 1.601 62.828 61.300 -0.123 0.000 1.357 418 I CB -0.430 37.457 38.000 -0.188 0.000 1.051 418 I HN 0.171 nan 8.210 nan 0.000 0.409 419 Y N 1.392 121.488 120.300 -0.341 0.000 2.181 419 Y HA -0.233 4.316 4.550 -0.001 0.000 0.288 419 Y C 2.739 178.553 175.900 -0.143 0.000 1.146 419 Y CA 1.617 59.543 58.100 -0.291 0.000 1.164 419 Y CB -0.185 38.103 38.460 -0.287 0.000 0.982 419 Y HN -0.052 nan 8.280 nan 0.000 0.515 420 R N 0.250 120.760 120.500 0.017 0.000 2.189 420 R HA -0.105 4.234 4.340 -0.001 0.000 0.223 420 R C 2.087 178.337 176.300 -0.082 0.000 1.092 420 R CA 1.051 57.141 56.100 -0.017 0.000 0.989 420 R CB 0.014 30.352 30.300 0.063 0.000 0.876 420 R HN 0.293 nan 8.270 nan 0.000 0.457 421 K N -0.480 119.865 120.400 -0.091 0.000 2.044 421 K HA -0.042 4.277 4.320 -0.001 0.000 0.204 421 K C 1.954 178.476 176.600 -0.130 0.000 1.049 421 K CA 1.281 57.515 56.287 -0.089 0.000 0.945 421 K CB 0.094 32.553 32.500 -0.067 0.000 0.724 421 K HN 0.008 nan 8.250 nan 0.000 0.440 422 V N 1.291 121.093 119.914 -0.188 0.000 2.244 422 V HA -0.224 3.895 4.120 -0.001 0.000 0.244 422 V C 2.520 178.465 176.094 -0.249 0.000 1.042 422 V CA 2.446 64.621 62.300 -0.208 0.000 1.006 422 V CB -0.748 30.932 31.823 -0.239 0.000 0.641 422 V HN 0.542 nan 8.190 nan 0.000 0.446 423 T N -4.473 109.843 114.554 -0.397 0.000 3.054 423 T HA 0.002 4.352 4.350 -0.001 0.000 0.259 423 T C 1.111 175.656 174.700 -0.259 0.000 1.092 423 T CA 0.447 62.309 62.100 -0.397 0.000 1.121 423 T CB 0.009 68.451 68.868 -0.712 0.000 0.912 423 T HN 0.334 nan 8.240 nan 0.000 0.489 424 K N 0.400 120.671 120.400 -0.216 0.000 3.407 424 K HA -0.166 4.153 4.320 -0.001 0.000 0.312 424 K C 0.367 176.906 176.600 -0.102 0.000 1.302 424 K CA 0.568 56.781 56.287 -0.123 0.000 0.931 424 K CB -1.855 30.589 32.500 -0.094 0.000 1.257 424 K HN 0.724 nan 8.250 nan 0.000 0.454 425 R N 1.793 122.214 120.500 -0.132 0.000 2.523 425 R HA 0.039 4.378 4.340 -0.001 0.000 0.281 425 R C -0.089 176.156 176.300 -0.092 0.000 0.969 425 R CA 1.212 57.246 56.100 -0.110 0.000 1.093 425 R CB 0.452 30.731 30.300 -0.035 0.000 0.917 425 R HN 0.177 nan 8.270 nan 0.000 0.408 426 T N 3.539 118.009 114.554 -0.139 0.000 2.912 426 T HA 0.501 4.851 4.350 -0.001 0.000 0.288 426 T C -1.109 173.467 174.700 -0.206 0.000 1.030 426 T CA -0.640 61.420 62.100 -0.066 0.000 1.020 426 T CB 0.583 69.453 68.868 0.003 0.000 1.056 426 T HN 0.399 nan 8.240 nan 0.000 0.480 427 F N 2.977 122.951 119.950 0.040 0.000 2.415 427 F HA 0.517 5.043 4.527 -0.001 0.000 0.348 427 F C 1.019 176.749 175.800 -0.117 0.000 1.119 427 F CA -0.478 57.502 58.000 -0.034 0.000 1.069 427 F CB 1.665 40.689 39.000 0.041 0.000 1.124 427 F HN 0.626 nan 8.300 nan 0.000 0.472 428 S N 0.992 116.615 115.700 -0.129 0.000 2.664 428 S HA 0.287 4.757 4.470 -0.001 0.000 0.304 428 S C 0.582 174.890 174.600 -0.486 0.000 1.099 428 S CA -0.897 57.182 58.200 -0.203 0.000 1.003 428 S CB 1.367 64.494 63.200 -0.121 0.000 1.092 428 S HN 0.617 nan 8.310 nan 0.000 0.525 429 N N 1.296 119.752 118.700 -0.408 0.000 2.573 429 N HA -0.116 4.624 4.740 -0.001 0.000 0.187 429 N C 0.649 175.696 175.510 -0.773 0.000 1.107 429 N CA 0.872 53.447 53.050 -0.792 0.000 0.918 429 N CB -1.094 37.156 38.487 -0.395 0.000 0.966 429 N HN 0.724 nan 8.380 nan 0.000 0.448 430 N N 0.193 118.648 118.700 -0.409 0.000 2.334 430 N HA -0.054 4.685 4.740 -0.001 0.000 0.187 430 N C 1.409 176.762 175.510 -0.261 0.000 1.016 430 N CA 1.139 54.026 53.050 -0.273 0.000 0.879 430 N CB -0.173 38.209 38.487 -0.175 0.000 0.965 430 N HN 0.322 nan 8.380 nan 0.000 0.438 431 M N -0.898 118.504 119.600 -0.330 0.000 2.149 431 M HA -0.200 4.279 4.480 -0.001 0.000 0.261 431 M C 0.968 177.239 176.300 -0.049 0.000 1.064 431 M CA 1.645 56.853 55.300 -0.153 0.000 1.102 431 M CB -0.155 32.412 32.600 -0.055 0.000 1.369 431 M HN 0.424 nan 8.290 nan 0.000 0.408 432 Y N -3.551 116.736 120.300 -0.021 0.000 2.448 432 Y HA 0.478 5.027 4.550 -0.001 0.000 0.257 432 Y C 0.319 176.225 175.900 0.010 0.000 1.089 432 Y CA -0.922 57.181 58.100 0.004 0.000 1.245 432 Y CB -0.385 38.095 38.460 0.033 0.000 1.282 432 Y HN -0.268 nan 8.280 nan 0.000 0.529 433 V N 4.377 124.220 119.914 -0.117 0.000 2.530 433 V HA 0.139 4.258 4.120 -0.001 0.000 0.282 433 V C 0.151 176.225 176.094 -0.033 0.000 1.048 433 V CA -1.274 61.005 62.300 -0.035 0.000 0.997 433 V CB 0.771 32.541 31.823 -0.089 0.000 0.987 433 V HN 0.129 nan 8.190 nan 0.000 0.477 434 K N 3.158 123.558 120.400 0.001 0.000 2.485 434 K HA 0.080 4.399 4.320 -0.001 0.000 0.277 434 K C 1.074 177.658 176.600 -0.026 0.000 0.990 434 K CA 0.159 56.440 56.287 -0.010 0.000 0.994 434 K CB 0.159 32.663 32.500 0.006 0.000 0.906 434 K HN 0.658 nan 8.250 nan 0.000 0.488 435 S N 1.897 117.575 115.700 -0.037 0.000 2.660 435 S HA -0.058 4.412 4.470 -0.001 0.000 0.223 435 S C 1.166 175.755 174.600 -0.018 0.000 0.963 435 S CA 0.088 58.263 58.200 -0.041 0.000 0.932 435 S CB -0.485 62.676 63.200 -0.065 0.000 0.775 435 S HN 0.608 nan 8.310 nan 0.000 0.531 436 L N 0.535 121.752 121.223 -0.009 0.000 3.417 436 L HA -0.371 3.968 4.340 -0.001 0.000 0.368 436 L C 1.534 178.409 176.870 0.008 0.000 0.810 436 L CA 2.482 57.322 54.840 -0.000 0.000 3.108 436 L CB -1.130 40.928 42.059 -0.003 0.000 0.687 436 L HN 0.415 nan 8.230 nan 0.000 0.756 437 E N -0.516 119.693 120.200 0.014 0.000 2.150 437 E HA -0.023 4.327 4.350 -0.001 0.000 0.193 437 E C 0.734 177.354 176.600 0.033 0.000 0.985 437 E CA 0.959 57.375 56.400 0.027 0.000 0.814 437 E CB 0.146 29.871 29.700 0.043 0.000 0.752 437 E HN 0.669 nan 8.360 nan 0.000 0.466 438 S N 0.000 115.719 115.700 0.031 0.000 2.498 438 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 438 S CA 0.000 58.221 58.200 0.035 0.000 1.107 438 S CB 0.000 63.222 63.200 0.036 0.000 0.593 438 S HN 0.000 nan 8.310 nan 0.000 0.517