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 3c4v_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRVAMISMHT SPLQQPGTGD SGGMNVYILS TATELAKQGI EVDIYTRATR DATA SEQUENCE PSQGEIVRVA ENLRVINIAA GPYEGLSKEE LPTQLAAFTG GMLSFTRREK DATA SEQUENCE VTYDLIHSHY WLSGQVGWLL RDLWRIPLIH TAHTLAAVXX XXXXXXDTPE DATA SEQUENCE SEARRICEQQ LVDNADVLAV NTQEEMQDLM HHYDADPDRI SVVSPGADVE DATA SEQUENCE LYSPGNDRAT ERSRRELGIP LHTKVVAFVG RLQPFKGPQV LIKAVAALFD DATA SEQUENCE RDPDRNLRVI ICGGPXXXXX XXXTYRHMAE ELGVEKRIRF LDPRPPSELV DATA SEQUENCE AVYRAADIVA VPSFNESFGL VAMEAQASGT PVIAARVGGL PIAVAEGETG DATA SEQUENCE LLVDGHSPHA WADALATLLD DDETRIRMGE DAVEHARTFS WAATAAQLSS DATA SEQUENCE LYNDAIANE 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 0.000 176.344 176.300 0.073 0.000 1.140 1 M CA 0.000 55.338 55.300 0.064 0.000 0.988 1 M CB 0.000 32.660 32.600 0.100 0.000 1.302 2 R N 3.738 124.280 120.500 0.070 0.000 2.437 2 R HA 0.825 5.165 4.340 -0.000 0.000 0.310 2 R C -2.019 174.436 176.300 0.258 0.000 0.955 2 R CA -0.555 55.619 56.100 0.124 0.000 0.851 2 R CB 1.947 32.245 30.300 -0.003 0.000 1.161 2 R HN 0.587 nan 8.270 nan 0.000 0.446 3 V N 3.277 123.357 119.914 0.277 0.000 2.459 3 V HA 0.543 4.663 4.120 -0.000 0.000 0.295 3 V C -0.222 175.999 176.094 0.211 0.000 1.029 3 V CA -0.822 61.588 62.300 0.184 0.000 0.874 3 V CB 1.663 33.499 31.823 0.022 0.000 0.985 3 V HN 0.906 nan 8.190 nan 0.000 0.438 4 A N 6.750 129.548 122.820 -0.037 0.000 2.260 4 A HA 0.700 5.020 4.320 -0.000 0.000 0.312 4 A C -0.128 177.491 177.584 0.058 0.000 1.321 4 A CA -0.414 51.488 52.037 -0.224 0.000 0.928 4 A CB 0.126 18.651 19.000 -0.792 0.000 1.158 4 A HN 0.817 nan 8.150 nan 0.000 0.542 5 M N 3.024 122.726 119.600 0.170 0.000 2.180 5 M HA 0.365 4.845 4.480 -0.000 0.000 0.358 5 M C -0.658 175.811 176.300 0.282 0.000 1.233 5 M CA 0.271 55.710 55.300 0.232 0.000 1.114 5 M CB 0.909 33.636 32.600 0.211 0.000 1.594 5 M HN 0.509 nan 8.290 nan 0.000 0.467 6 I N 1.795 122.541 120.570 0.293 0.000 2.355 6 I HA 0.219 4.389 4.170 -0.000 0.000 0.288 6 I C 0.080 176.365 176.117 0.280 0.000 0.999 6 I CA -0.280 61.205 61.300 0.308 0.000 1.163 6 I CB 1.634 39.794 38.000 0.268 0.000 1.316 6 I HN 0.580 nan 8.210 nan 0.000 0.454 7 S N 7.051 122.867 115.700 0.194 0.000 2.130 7 S HA 0.256 4.726 4.470 -0.000 0.000 0.165 7 S C 0.785 175.348 174.600 -0.062 0.000 1.677 7 S CA -0.666 57.569 58.200 0.057 0.000 1.227 7 S CB 0.523 63.693 63.200 -0.050 0.000 1.115 7 S HN 0.780 nan 8.310 nan 0.000 0.452 8 M N 3.491 123.011 119.600 -0.133 0.000 2.059 8 M HA -0.108 4.372 4.480 -0.000 0.000 0.259 8 M C 2.031 178.129 176.300 -0.338 0.000 1.072 8 M CA 2.019 57.018 55.300 -0.501 0.000 1.117 8 M CB -0.391 31.743 32.600 -0.776 0.000 1.320 8 M HN 0.867 nan 8.290 nan 0.000 0.408 9 H N -1.906 116.997 119.070 -0.279 0.000 2.548 9 H HA 0.200 4.756 4.556 -0.000 0.000 0.265 9 H C -0.252 174.976 175.328 -0.167 0.000 0.969 9 H CA 0.995 56.911 56.048 -0.220 0.000 1.155 9 H CB -0.240 29.399 29.762 -0.205 0.000 1.394 9 H HN 0.337 nan 8.280 nan 0.000 0.570 10 T N 0.090 114.268 114.554 -0.627 0.000 2.942 10 T HA 0.349 4.699 4.350 -0.000 0.000 0.327 10 T C -1.488 173.022 174.700 -0.316 0.000 1.360 10 T CA -0.525 61.288 62.100 -0.478 0.000 1.055 10 T CB 1.916 70.401 68.868 -0.638 0.000 1.261 10 T HN 0.310 nan 8.240 nan 0.000 0.485 11 S N 3.475 119.054 115.700 -0.202 0.000 2.509 11 S HA 0.637 5.106 4.470 -0.000 0.000 0.297 11 S C -1.685 172.831 174.600 -0.140 0.000 1.118 11 S CA -1.817 56.298 58.200 -0.142 0.000 1.074 11 S CB 1.542 64.683 63.200 -0.098 0.000 1.038 11 S HN 0.614 nan 8.310 nan 0.000 0.498 12 P HA 0.003 nan 4.420 nan 0.000 0.230 12 P C 0.907 178.145 177.300 -0.103 0.000 1.158 12 P CA 0.419 63.442 63.100 -0.128 0.000 0.769 12 P CB 0.097 31.719 31.700 -0.129 0.000 0.807 13 L N -1.292 119.876 121.223 -0.091 0.000 2.529 13 L HA 0.169 4.509 4.340 -0.000 0.000 0.223 13 L C 1.215 178.046 176.870 -0.065 0.000 1.113 13 L CA 0.796 55.592 54.840 -0.074 0.000 0.861 13 L CB -1.146 40.871 42.059 -0.071 0.000 1.012 13 L HN -0.062 nan 8.230 nan 0.000 0.461 14 Q N 0.706 120.462 119.800 -0.073 0.000 2.297 14 Q HA 0.030 4.370 4.340 -0.000 0.000 0.267 14 Q C -0.000 175.971 176.000 -0.048 0.000 1.006 14 Q CA -0.107 55.660 55.803 -0.061 0.000 0.896 14 Q CB 0.893 29.587 28.738 -0.073 0.000 1.186 14 Q HN 0.097 nan 8.270 nan 0.000 0.392 15 Q N 4.818 124.599 119.800 -0.032 0.000 2.362 15 Q HA -0.019 4.321 4.340 -0.000 0.000 0.305 15 Q C -2.300 173.692 176.000 -0.013 0.000 1.120 15 Q CA -0.440 55.353 55.803 -0.017 0.000 1.011 15 Q CB 0.152 28.885 28.738 -0.009 0.000 1.048 15 Q HN 0.188 nan 8.270 nan 0.000 0.386 16 P HA 0.114 nan 4.420 nan 0.000 0.262 16 P C -0.113 177.194 177.300 0.012 0.000 1.199 16 P CA 1.146 64.247 63.100 0.002 0.000 0.763 16 P CB 0.531 32.241 31.700 0.017 0.000 0.790 17 G N 1.339 110.148 108.800 0.015 0.000 2.237 17 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.153 17 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.153 17 G C 0.104 175.026 174.900 0.037 0.000 1.039 17 G CA -0.156 44.959 45.100 0.026 0.000 0.719 17 G HN 0.637 nan 8.290 nan 0.000 0.491 18 T N -1.547 113.025 114.554 0.030 0.000 2.881 18 T HA 0.882 5.232 4.350 -0.000 0.000 0.278 18 T C 1.621 176.337 174.700 0.026 0.000 0.982 18 T CA 0.566 62.685 62.100 0.031 0.000 0.989 18 T CB 1.976 70.859 68.868 0.024 0.000 1.058 18 T HN 2.136 nan 8.240 nan 0.000 0.529 19 G N 1.143 109.962 108.800 0.033 0.000 2.556 19 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.283 19 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.283 19 G C 0.133 175.062 174.900 0.049 0.000 1.177 19 G CA 0.410 45.530 45.100 0.034 0.000 0.978 19 G HN 0.759 nan 8.290 nan 0.000 0.554 20 D N 0.828 121.246 120.400 0.030 0.000 2.328 20 D HA 0.324 4.964 4.640 -0.000 0.000 0.221 20 D C 0.909 177.191 176.300 -0.031 0.000 1.072 20 D CA 1.050 55.068 54.000 0.031 0.000 0.850 20 D CB 0.461 41.288 40.800 0.045 0.000 0.922 20 D HN 0.386 nan 8.370 nan 0.000 0.516 21 S N -0.214 115.468 115.700 -0.031 0.000 2.429 21 S HA 0.627 5.097 4.470 -0.000 0.000 0.302 21 S C 0.248 174.834 174.600 -0.022 0.000 1.115 21 S CA -0.475 57.690 58.200 -0.059 0.000 1.095 21 S CB 1.077 64.242 63.200 -0.059 0.000 0.987 21 S HN 0.241 nan 8.310 nan 0.000 0.474 22 G N 3.014 111.793 108.800 -0.034 0.000 2.933 22 G HA2 0.476 4.436 3.960 -0.000 0.000 0.203 22 G HA3 0.476 4.436 3.960 -0.000 0.000 0.203 22 G C 0.817 175.711 174.900 -0.009 0.000 1.170 22 G CA 0.107 45.204 45.100 -0.005 0.000 0.880 22 G HN 0.844 nan 8.290 nan 0.000 0.573 23 G N 0.051 108.846 108.800 -0.008 0.000 2.448 23 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.219 23 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.219 23 G C 1.652 176.619 174.900 0.112 0.000 1.127 23 G CA 1.449 46.567 45.100 0.030 0.000 0.766 23 G HN 0.405 nan 8.290 nan 0.000 0.552 24 M N 0.507 120.093 119.600 -0.023 0.000 2.175 24 M HA -0.078 4.402 4.480 -0.000 0.000 0.264 24 M C 2.274 178.488 176.300 -0.143 0.000 1.063 24 M CA 1.597 56.789 55.300 -0.181 0.000 1.119 24 M CB -0.230 32.092 32.600 -0.464 0.000 1.377 24 M HN 0.201 nan 8.290 nan 0.000 0.415 25 N N 0.278 118.900 118.700 -0.131 0.000 2.084 25 N HA -0.169 4.571 4.740 -0.000 0.000 0.190 25 N C 1.624 177.075 175.510 -0.099 0.000 1.030 25 N CA 1.721 54.688 53.050 -0.139 0.000 0.849 25 N CB -0.862 37.547 38.487 -0.129 0.000 1.012 25 N HN 0.410 nan 8.380 nan 0.000 0.423 26 V N -0.276 119.621 119.914 -0.028 0.000 2.515 26 V HA -0.202 3.918 4.120 -0.000 0.000 0.250 26 V C 1.858 177.834 176.094 -0.197 0.000 1.058 26 V CA 1.207 63.472 62.300 -0.058 0.000 1.064 26 V CB -0.702 31.155 31.823 0.058 0.000 0.675 26 V HN 0.370 nan 8.190 nan 0.000 0.461 27 Y N 0.891 121.132 120.300 -0.098 0.000 2.097 27 Y HA -0.214 4.336 4.550 -0.000 0.000 0.282 27 Y C 2.227 177.942 175.900 -0.308 0.000 1.152 27 Y CA 2.674 60.703 58.100 -0.118 0.000 1.136 27 Y CB -0.223 38.446 38.460 0.348 0.000 0.975 27 Y HN 0.291 nan 8.280 nan 0.000 0.498 28 I N -0.506 120.034 120.570 -0.049 0.000 2.127 28 I HA -0.327 3.843 4.170 -0.000 0.000 0.241 28 I C 2.315 178.267 176.117 -0.274 0.000 1.075 28 I CA 1.500 62.653 61.300 -0.245 0.000 1.334 28 I CB -0.513 37.275 38.000 -0.353 0.000 1.040 28 I HN 0.328 nan 8.210 nan 0.000 0.405 29 L N 0.070 121.129 121.223 -0.274 0.000 2.027 29 L HA -0.160 4.180 4.340 -0.000 0.000 0.206 29 L C 2.609 179.269 176.870 -0.350 0.000 1.074 29 L CA 1.851 56.539 54.840 -0.253 0.000 0.745 29 L CB -0.534 41.407 42.059 -0.197 0.000 0.898 29 L HN 0.090 nan 8.230 nan 0.000 0.433 30 S N -0.864 114.477 115.700 -0.599 0.000 2.356 30 S HA -0.211 4.259 4.470 -0.000 0.000 0.223 30 S C 1.876 176.094 174.600 -0.636 0.000 1.032 30 S CA 1.816 59.501 58.200 -0.858 0.000 1.005 30 S CB -0.839 61.165 63.200 -1.993 0.000 0.867 30 S HN 0.782 nan 8.310 nan 0.000 0.449 31 T N 1.351 115.521 114.554 -0.639 0.000 2.708 31 T HA 0.025 4.375 4.350 -0.000 0.000 0.266 31 T C 1.992 176.615 174.700 -0.129 0.000 1.037 31 T CA 1.147 63.066 62.100 -0.300 0.000 1.146 31 T CB -0.715 67.978 68.868 -0.292 0.000 0.865 31 T HN 0.351 nan 8.240 nan 0.000 0.435 32 A N 1.891 124.634 122.820 -0.128 0.000 1.883 32 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 32 A C 2.655 180.219 177.584 -0.033 0.000 1.186 32 A CA 2.333 54.351 52.037 -0.031 0.000 0.624 32 A CB -1.651 17.321 19.000 -0.046 0.000 0.822 32 A HN 0.557 nan 8.150 nan 0.000 0.444 33 T N 0.029 114.531 114.554 -0.087 0.000 2.684 33 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 33 T C 1.820 176.503 174.700 -0.028 0.000 1.036 33 T CA 1.575 63.637 62.100 -0.063 0.000 1.148 33 T CB -0.259 68.549 68.868 -0.100 0.000 0.863 33 T HN 0.484 nan 8.240 nan 0.000 0.436 34 E N 0.959 121.140 120.200 -0.031 0.000 2.106 34 E HA 0.019 4.369 4.350 -0.000 0.000 0.192 34 E C 2.345 178.964 176.600 0.031 0.000 0.984 34 E CA 0.628 57.036 56.400 0.013 0.000 0.806 34 E CB -0.436 29.289 29.700 0.041 0.000 0.750 34 E HN 0.467 nan 8.360 nan 0.000 0.458 35 L N 0.479 121.727 121.223 0.042 0.000 2.083 35 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 35 L C 2.486 179.400 176.870 0.074 0.000 1.083 35 L CA 1.182 56.070 54.840 0.079 0.000 0.752 35 L CB -0.447 41.697 42.059 0.141 0.000 0.899 35 L HN 0.056 nan 8.230 nan 0.000 0.433 36 A N -0.196 122.656 122.820 0.054 0.000 1.930 36 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 36 A C 2.303 179.908 177.584 0.035 0.000 1.175 36 A CA 1.377 53.441 52.037 0.046 0.000 0.627 36 A CB -0.278 18.740 19.000 0.030 0.000 0.815 36 A HN 0.282 nan 8.150 nan 0.000 0.443 37 K N -0.369 120.047 120.400 0.028 0.000 2.147 37 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 37 K C 1.733 178.350 176.600 0.029 0.000 1.049 37 K CA 1.506 57.808 56.287 0.024 0.000 0.936 37 K CB -0.123 32.390 32.500 0.022 0.000 0.722 37 K HN 0.592 nan 8.250 nan 0.000 0.446 38 Q N -0.634 119.189 119.800 0.037 0.000 2.415 38 Q HA 0.057 4.397 4.340 -0.000 0.000 0.206 38 Q C 0.648 176.675 176.000 0.045 0.000 0.946 38 Q CA 0.416 56.243 55.803 0.040 0.000 0.951 38 Q CB 0.664 29.428 28.738 0.043 0.000 1.026 38 Q HN 0.512 nan 8.270 nan 0.000 0.510 39 G N 1.150 109.976 108.800 0.044 0.000 2.159 39 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.256 39 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.256 39 G C 0.134 175.070 174.900 0.060 0.000 0.977 39 G CA -0.221 44.906 45.100 0.045 0.000 0.652 39 G HN 0.362 nan 8.290 nan 0.000 0.531 40 I N 1.461 122.079 120.570 0.080 0.000 2.416 40 I HA 0.222 4.392 4.170 -0.000 0.000 0.288 40 I C 0.592 176.773 176.117 0.106 0.000 1.051 40 I CA -0.249 61.117 61.300 0.110 0.000 1.375 40 I CB 0.798 38.896 38.000 0.163 0.000 1.407 40 I HN 0.141 nan 8.210 nan 0.000 0.516 41 E N 5.727 125.987 120.200 0.101 0.000 2.223 41 E HA 0.329 4.679 4.350 -0.000 0.000 0.282 41 E C -1.047 175.641 176.600 0.146 0.000 1.046 41 E CA -0.360 56.100 56.400 0.100 0.000 0.857 41 E CB 1.560 31.305 29.700 0.075 0.000 1.055 41 E HN 0.275 nan 8.360 nan 0.000 0.409 42 V N 4.015 124.010 119.914 0.136 0.000 2.487 42 V HA 0.209 4.329 4.120 -0.000 0.000 0.298 42 V C -0.576 175.600 176.094 0.137 0.000 1.028 42 V CA -0.910 61.483 62.300 0.156 0.000 0.860 42 V CB 1.923 33.824 31.823 0.130 0.000 0.991 42 V HN 0.626 nan 8.190 nan 0.000 0.427 43 D N 4.629 125.141 120.400 0.187 0.000 2.344 43 D HA 0.510 5.150 4.640 -0.000 0.000 0.239 43 D C -0.405 175.901 176.300 0.012 0.000 1.064 43 D CA -0.114 53.929 54.000 0.072 0.000 0.829 43 D CB 2.404 43.302 40.800 0.164 0.000 1.129 43 D HN 0.354 nan 8.370 nan 0.000 0.506 44 I N 2.733 123.258 120.570 -0.075 0.000 2.297 44 I HA 0.150 4.320 4.170 -0.000 0.000 0.291 44 I C -0.246 175.804 176.117 -0.111 0.000 1.033 44 I CA -0.664 60.623 61.300 -0.022 0.000 1.253 44 I CB 0.309 38.289 38.000 -0.033 0.000 1.396 44 I HN 0.149 nan 8.210 nan 0.000 0.476 45 Y N 4.682 125.009 120.300 0.046 0.000 2.336 45 Y HA 0.401 4.951 4.550 -0.000 0.000 0.335 45 Y C 0.780 176.804 175.900 0.207 0.000 1.046 45 Y CA 0.223 58.377 58.100 0.089 0.000 1.198 45 Y CB 1.433 39.950 38.460 0.096 0.000 1.182 45 Y HN 0.487 nan 8.280 nan 0.000 0.502 46 T N 3.652 118.384 114.554 0.296 0.000 2.864 46 T HA 0.373 4.723 4.350 -0.000 0.000 0.299 46 T C -0.980 173.941 174.700 0.368 0.000 1.166 46 T CA -0.967 61.283 62.100 0.250 0.000 1.007 46 T CB 1.090 69.978 68.868 0.034 0.000 1.219 46 T HN 0.662 nan 8.240 nan 0.000 0.506 47 R N 1.588 122.217 120.500 0.216 0.000 2.442 47 R HA 0.552 4.892 4.340 -0.000 0.000 0.291 47 R C 0.056 176.453 176.300 0.161 0.000 1.069 47 R CA -0.247 55.997 56.100 0.239 0.000 1.022 47 R CB 0.322 30.645 30.300 0.038 0.000 0.976 47 R HN 0.716 nan 8.270 nan 0.000 0.443 48 A N 3.069 126.013 122.820 0.206 0.000 2.492 48 A HA 0.136 4.456 4.320 -0.000 0.000 0.254 48 A C 0.907 178.646 177.584 0.259 0.000 1.091 48 A CA 0.225 52.377 52.037 0.192 0.000 0.768 48 A CB 0.299 19.464 19.000 0.275 0.000 1.028 48 A HN 0.950 nan 8.150 nan 0.000 0.498 49 T N -0.482 114.125 114.554 0.088 0.000 3.029 49 T HA 0.257 4.607 4.350 -0.000 0.000 0.256 49 T C 0.524 175.152 174.700 -0.119 0.000 0.914 49 T CA -0.140 62.010 62.100 0.083 0.000 0.880 49 T CB 0.222 69.118 68.868 0.046 0.000 1.246 49 T HN 0.573 nan 8.240 nan 0.000 0.523 50 R N 2.172 122.542 120.500 -0.216 0.000 2.415 50 R HA 0.322 4.662 4.340 -0.000 0.000 0.292 50 R C -2.321 173.776 176.300 -0.339 0.000 1.295 50 R CA -1.801 54.146 56.100 -0.256 0.000 1.137 50 R CB 1.588 31.807 30.300 -0.135 0.000 1.135 50 R HN 0.163 nan 8.270 nan 0.000 0.560 51 P HA -0.188 nan 4.420 nan 0.000 0.219 51 P C 1.191 178.367 177.300 -0.207 0.000 1.146 51 P CA 1.255 64.077 63.100 -0.463 0.000 0.808 51 P CB 0.276 31.636 31.700 -0.566 0.000 0.779 52 S N -0.329 115.271 115.700 -0.166 0.000 2.465 52 S HA -0.208 4.262 4.470 -0.000 0.000 0.241 52 S C 1.981 176.532 174.600 -0.081 0.000 1.000 52 S CA 0.963 59.105 58.200 -0.096 0.000 0.964 52 S CB -1.159 61.995 63.200 -0.077 0.000 0.763 52 S HN 0.265 nan 8.310 nan 0.000 0.512 53 Q N 1.060 120.800 119.800 -0.099 0.000 2.378 53 Q HA 0.312 4.652 4.340 -0.000 0.000 0.205 53 Q C 1.253 177.217 176.000 -0.061 0.000 0.954 53 Q CA 0.291 56.048 55.803 -0.077 0.000 0.901 53 Q CB -0.295 28.392 28.738 -0.086 0.000 0.981 53 Q HN 0.776 nan 8.270 nan 0.000 0.483 54 G N 1.065 109.829 108.800 -0.060 0.000 2.782 54 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.228 54 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.228 54 G C 0.025 174.908 174.900 -0.028 0.000 1.372 54 G CA 0.064 45.146 45.100 -0.030 0.000 0.862 54 G HN 0.323 nan 8.290 nan 0.000 0.547 55 E N -1.023 119.177 120.200 0.000 0.000 2.086 55 E HA 0.104 4.454 4.350 -0.000 0.000 0.190 55 E C 0.990 177.544 176.600 -0.076 0.000 0.975 55 E CA 0.703 57.095 56.400 -0.014 0.000 0.813 55 E CB -0.008 29.733 29.700 0.068 0.000 0.768 55 E HN 0.478 nan 8.360 nan 0.000 0.457 56 I N 2.064 122.621 120.570 -0.021 0.000 2.382 56 I HA 0.223 4.392 4.170 -0.000 0.000 0.286 56 I C -0.952 175.145 176.117 -0.033 0.000 1.002 56 I CA -0.835 60.445 61.300 -0.033 0.000 1.135 56 I CB 2.017 40.058 38.000 0.068 0.000 1.288 56 I HN -0.181 nan 8.210 nan 0.000 0.448 57 V N 6.439 126.316 119.914 -0.062 0.000 2.370 57 V HA 0.378 4.497 4.120 -0.000 0.000 0.279 57 V C 0.421 176.490 176.094 -0.041 0.000 1.029 57 V CA -0.735 61.535 62.300 -0.049 0.000 0.870 57 V CB 1.591 33.377 31.823 -0.061 0.000 0.984 57 V HN 0.595 nan 8.190 nan 0.000 0.451 58 R N 3.627 124.113 120.500 -0.024 0.000 2.248 58 R HA 0.315 4.655 4.340 -0.000 0.000 0.337 58 R C 0.436 176.723 176.300 -0.023 0.000 1.106 58 R CA 0.068 56.158 56.100 -0.017 0.000 0.959 58 R CB 1.196 31.492 30.300 -0.007 0.000 1.075 58 R HN 0.637 nan 8.270 nan 0.000 0.480 59 V N 2.393 122.290 119.914 -0.027 0.000 2.379 59 V HA 0.131 4.251 4.120 -0.000 0.000 0.243 59 V C 0.945 177.025 176.094 -0.024 0.000 1.035 59 V CA 1.758 64.039 62.300 -0.032 0.000 1.035 59 V CB -0.154 31.643 31.823 -0.042 0.000 0.673 59 V HN 0.803 nan 8.190 nan 0.000 0.457 60 A N -0.779 122.031 122.820 -0.017 0.000 2.557 60 A HA 0.565 4.885 4.320 -0.000 0.000 0.292 60 A C -0.611 176.971 177.584 -0.002 0.000 1.139 60 A CA -0.484 51.546 52.037 -0.011 0.000 0.665 60 A CB 0.813 19.805 19.000 -0.013 0.000 1.285 60 A HN 0.260 nan 8.150 nan 0.000 0.433 61 E N 0.735 120.936 120.200 0.001 0.000 2.465 61 E HA 0.162 4.511 4.350 -0.000 0.000 0.260 61 E C 0.063 176.672 176.600 0.014 0.000 0.980 61 E CA 0.723 57.127 56.400 0.007 0.000 0.927 61 E CB -0.011 29.693 29.700 0.007 0.000 0.934 61 E HN 0.539 nan 8.360 nan 0.000 0.459 62 N N 1.200 119.912 118.700 0.019 0.000 2.936 62 N HA -0.217 4.523 4.740 -0.000 0.000 0.236 62 N C -0.982 174.550 175.510 0.038 0.000 0.930 62 N CA 1.056 54.125 53.050 0.032 0.000 0.966 62 N CB -0.984 37.525 38.487 0.037 0.000 1.090 62 N HN 0.435 nan 8.380 nan 0.000 0.592 63 L N 1.281 122.517 121.223 0.022 0.000 2.376 63 L HA 0.505 4.845 4.340 -0.000 0.000 0.275 63 L C -0.407 176.461 176.870 -0.002 0.000 0.987 63 L CA -0.379 54.468 54.840 0.013 0.000 0.828 63 L CB 1.283 43.340 42.059 -0.003 0.000 1.249 63 L HN 0.031 nan 8.230 nan 0.000 0.409 64 R N 3.556 124.051 120.500 -0.008 0.000 2.744 64 R HA 0.807 5.147 4.340 -0.000 0.000 0.279 64 R C -1.446 174.800 176.300 -0.091 0.000 0.977 64 R CA -1.031 55.046 56.100 -0.039 0.000 0.906 64 R CB 2.481 32.770 30.300 -0.019 0.000 1.197 64 R HN 0.369 nan 8.270 nan 0.000 0.463 65 V N 3.854 123.697 119.914 -0.119 0.000 2.435 65 V HA 0.422 4.542 4.120 -0.000 0.000 0.290 65 V C -0.216 175.729 176.094 -0.249 0.000 1.030 65 V CA -0.771 61.429 62.300 -0.167 0.000 0.881 65 V CB 1.754 33.505 31.823 -0.120 0.000 0.983 65 V HN 0.538 nan 8.190 nan 0.000 0.445 66 I N 4.072 124.397 120.570 -0.409 0.000 2.355 66 I HA 0.395 4.565 4.170 -0.000 0.000 0.288 66 I C -0.162 175.753 176.117 -0.336 0.000 0.999 66 I CA -0.738 60.225 61.300 -0.562 0.000 1.163 66 I CB 1.282 38.575 38.000 -1.179 0.000 1.316 66 I HN 0.525 nan 8.210 nan 0.000 0.454 67 N N 6.927 125.495 118.700 -0.220 0.000 2.415 67 N HA 0.302 5.042 4.740 -0.000 0.000 0.246 67 N C -0.350 175.138 175.510 -0.036 0.000 1.078 67 N CA -0.307 52.700 53.050 -0.072 0.000 0.942 67 N CB 1.654 40.111 38.487 -0.049 0.000 1.140 67 N HN 0.381 nan 8.380 nan 0.000 0.501 68 I N 1.667 122.271 120.570 0.056 0.000 2.315 68 I HA 0.216 4.386 4.170 -0.000 0.000 0.291 68 I C 0.711 176.921 176.117 0.154 0.000 1.006 68 I CA -1.067 60.264 61.300 0.051 0.000 1.265 68 I CB 0.723 38.665 38.000 -0.097 0.000 1.387 68 I HN 0.306 nan 8.210 nan 0.000 0.475 69 A N 5.989 128.886 122.820 0.129 0.000 2.451 69 A HA 0.625 4.945 4.320 -0.000 0.000 0.266 69 A C 0.273 177.919 177.584 0.104 0.000 1.119 69 A CA -0.175 51.944 52.037 0.136 0.000 0.786 69 A CB 0.070 19.133 19.000 0.104 0.000 1.061 69 A HN 0.935 nan 8.150 nan 0.000 0.503 70 A N 3.125 126.011 122.820 0.109 0.000 2.667 70 A HA 0.680 5.000 4.320 -0.000 0.000 0.291 70 A C 0.389 178.005 177.584 0.053 0.000 1.123 70 A CA 0.455 52.556 52.037 0.107 0.000 0.832 70 A CB -0.077 19.066 19.000 0.237 0.000 1.396 70 A HN 2.895 nan 8.150 nan 0.000 0.401 71 G N 2.672 111.468 108.800 -0.008 0.000 2.828 71 G HA2 0.037 3.997 3.960 -0.000 0.000 0.463 71 G HA3 0.037 3.997 3.960 -0.000 0.000 0.463 71 G C -2.506 172.329 174.900 -0.109 0.000 1.394 71 G CA -0.346 44.731 45.100 -0.038 0.000 0.862 71 G HN 0.957 nan 8.290 nan 0.000 0.540 72 P HA 0.284 nan 4.420 nan 0.000 0.272 72 P C 0.363 177.606 177.300 -0.095 0.000 1.223 72 P CA -0.178 62.815 63.100 -0.179 0.000 0.784 72 P CB 0.306 31.960 31.700 -0.077 0.000 0.923 73 Y N -0.026 120.285 120.300 0.019 0.000 2.315 73 Y HA -0.125 4.425 4.550 -0.000 0.000 0.288 73 Y C 1.539 177.445 175.900 0.010 0.000 1.154 73 Y CA 0.965 59.073 58.100 0.014 0.000 1.229 73 Y CB -0.206 38.261 38.460 0.011 0.000 0.980 73 Y HN 0.474 nan 8.280 nan 0.000 0.540 74 E N -3.166 117.120 120.200 0.144 0.000 2.445 74 E HA 0.520 4.870 4.350 -0.000 0.000 0.279 74 E C 0.310 176.937 176.600 0.045 0.000 1.018 74 E CA -0.540 55.909 56.400 0.083 0.000 0.816 74 E CB 1.600 31.346 29.700 0.076 0.000 1.356 74 E HN -0.031 nan 8.360 nan 0.000 0.462 75 G N -0.020 108.801 108.800 0.036 0.000 2.154 75 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.186 75 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.186 75 G C -0.788 174.125 174.900 0.021 0.000 1.000 75 G CA 0.013 45.127 45.100 0.024 0.000 0.664 75 G HN 0.302 nan 8.290 nan 0.000 0.513 76 L N 2.744 123.983 121.223 0.026 0.000 2.388 76 L HA 0.687 5.027 4.340 -0.000 0.000 0.267 76 L C 0.862 177.750 176.870 0.029 0.000 0.995 76 L CA -0.490 54.364 54.840 0.024 0.000 0.864 76 L CB 1.274 43.345 42.059 0.020 0.000 1.216 76 L HN 0.514 nan 8.230 nan 0.000 0.430 77 S N 2.518 118.237 115.700 0.031 0.000 2.608 77 S HA 0.198 4.668 4.470 -0.000 0.000 0.261 77 S C 1.274 175.898 174.600 0.040 0.000 1.314 77 S CA -0.190 58.033 58.200 0.039 0.000 0.992 77 S CB 0.844 64.069 63.200 0.040 0.000 0.935 77 S HN 0.670 nan 8.310 nan 0.000 0.564 78 K N 0.577 121.008 120.400 0.051 0.000 2.074 78 K HA -0.205 4.115 4.320 -0.000 0.000 0.209 78 K C 1.583 178.208 176.600 0.043 0.000 1.048 78 K CA 1.989 58.299 56.287 0.039 0.000 0.926 78 K CB -0.375 32.152 32.500 0.045 0.000 0.713 78 K HN 0.702 nan 8.250 nan 0.000 0.444 79 E N 0.642 120.883 120.200 0.069 0.000 2.209 79 E HA -0.162 4.188 4.350 -0.000 0.000 0.196 79 E C 1.506 178.153 176.600 0.077 0.000 0.993 79 E CA 1.202 57.657 56.400 0.091 0.000 0.819 79 E CB 0.044 29.791 29.700 0.079 0.000 0.745 79 E HN 0.369 nan 8.360 nan 0.000 0.477 80 E N -0.258 119.972 120.200 0.050 0.000 2.452 80 E HA 0.078 4.428 4.350 -0.000 0.000 0.197 80 E C 1.874 178.488 176.600 0.024 0.000 1.022 80 E CA 0.010 56.434 56.400 0.040 0.000 0.890 80 E CB 0.048 29.766 29.700 0.031 0.000 0.918 80 E HN 0.314 nan 8.360 nan 0.000 0.496 81 L N 1.178 122.404 121.223 0.004 0.000 2.187 81 L HA -0.119 4.221 4.340 -0.000 0.000 0.213 81 L C -0.633 176.204 176.870 -0.055 0.000 1.100 81 L CA 0.996 55.815 54.840 -0.034 0.000 0.765 81 L CB -1.553 40.466 42.059 -0.067 0.000 0.904 81 L HN 0.069 nan 8.230 nan 0.000 0.437 82 P HA -0.217 nan 4.420 nan 0.000 0.217 82 P C 1.673 178.983 177.300 0.018 0.000 1.148 82 P CA 1.945 65.043 63.100 -0.004 0.000 0.834 82 P CB -0.298 31.477 31.700 0.124 0.000 0.783 83 T N -3.724 110.845 114.554 0.024 0.000 2.897 83 T HA -0.169 4.181 4.350 -0.000 0.000 0.271 83 T C 1.575 176.287 174.700 0.021 0.000 1.084 83 T CA 1.059 63.173 62.100 0.024 0.000 1.123 83 T CB -0.702 68.180 68.868 0.023 0.000 0.865 83 T HN 0.069 nan 8.240 nan 0.000 0.496 84 Q N 0.133 119.942 119.800 0.015 0.000 2.360 84 Q HA 0.383 4.722 4.340 -0.000 0.000 0.202 84 Q C 2.148 178.185 176.000 0.063 0.000 0.915 84 Q CA 0.002 55.827 55.803 0.037 0.000 0.943 84 Q CB -0.203 28.557 28.738 0.037 0.000 1.064 84 Q HN 0.543 nan 8.270 nan 0.000 0.511 85 L N -0.049 121.193 121.223 0.030 0.000 2.043 85 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 85 L C 2.198 179.114 176.870 0.076 0.000 1.075 85 L CA 1.626 56.493 54.840 0.044 0.000 0.752 85 L CB -0.435 41.630 42.059 0.010 0.000 0.891 85 L HN 0.157 nan 8.230 nan 0.000 0.432 86 A N -0.731 122.114 122.820 0.043 0.000 1.930 86 A HA 0.006 4.326 4.320 -0.000 0.000 0.215 86 A C 2.474 180.078 177.584 0.033 0.000 1.176 86 A CA 1.224 53.273 52.037 0.020 0.000 0.632 86 A CB -0.539 18.460 19.000 -0.003 0.000 0.819 86 A HN 0.380 nan 8.150 nan 0.000 0.445 87 A N -0.947 121.907 122.820 0.058 0.000 1.873 87 A HA -0.034 4.286 4.320 -0.000 0.000 0.215 87 A C 2.030 179.668 177.584 0.091 0.000 1.186 87 A CA 1.547 53.620 52.037 0.060 0.000 0.616 87 A CB -0.742 18.296 19.000 0.064 0.000 0.823 87 A HN 0.627 nan 8.150 nan 0.000 0.442 88 F N 1.490 121.435 119.950 -0.008 0.000 2.134 88 F HA -0.162 4.365 4.527 0.000 0.000 0.299 88 F C 2.489 178.280 175.800 -0.015 0.000 1.097 88 F CA 2.288 60.288 58.000 -0.000 0.000 1.264 88 F CB -0.600 38.398 39.000 -0.003 0.000 1.001 88 F HN 0.218 nan 8.300 nan 0.000 0.479 89 T N -0.215 114.354 114.554 0.025 0.000 2.708 89 T HA -0.131 4.219 4.350 -0.000 0.000 0.266 89 T C 2.187 176.797 174.700 -0.150 0.000 1.037 89 T CA 1.480 63.512 62.100 -0.114 0.000 1.146 89 T CB -1.291 67.535 68.868 -0.069 0.000 0.865 89 T HN 0.456 nan 8.240 nan 0.000 0.435 90 G N 1.066 109.819 108.800 -0.078 0.000 2.440 90 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.218 90 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.218 90 G C 1.736 176.608 174.900 -0.046 0.000 1.154 90 G CA 1.074 46.144 45.100 -0.050 0.000 0.767 90 G HN 0.577 nan 8.290 nan 0.000 0.552 91 G N 0.731 109.483 108.800 -0.080 0.000 2.446 91 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 91 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 91 G C 1.907 176.765 174.900 -0.070 0.000 1.168 91 G CA 1.120 46.175 45.100 -0.074 0.000 0.771 91 G HN 0.424 nan 8.290 nan 0.000 0.551 92 M N -0.296 119.159 119.600 -0.241 0.000 2.117 92 M HA -0.012 4.468 4.480 -0.000 0.000 0.262 92 M C 2.466 178.816 176.300 0.084 0.000 1.065 92 M CA 0.811 56.012 55.300 -0.164 0.000 1.114 92 M CB -0.389 31.934 32.600 -0.463 0.000 1.361 92 M HN 0.105 nan 8.290 nan 0.000 0.408 93 L N 0.161 121.406 121.223 0.037 0.000 2.013 93 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 93 L C 2.650 179.614 176.870 0.156 0.000 1.073 93 L CA 1.993 56.915 54.840 0.137 0.000 0.753 93 L CB -1.647 40.444 42.059 0.053 0.000 0.890 93 L HN 0.299 nan 8.230 nan 0.000 0.432 94 S N -0.718 115.052 115.700 0.118 0.000 2.368 94 S HA -0.196 4.274 4.470 -0.000 0.000 0.224 94 S C 1.899 176.588 174.600 0.149 0.000 1.029 94 S CA 1.008 59.275 58.200 0.111 0.000 0.988 94 S CB -0.776 62.479 63.200 0.091 0.000 0.838 94 S HN 0.361 nan 8.310 nan 0.000 0.462 95 F N 3.515 123.517 119.950 0.088 0.000 2.095 95 F HA -0.224 4.303 4.527 0.000 0.000 0.298 95 F C 2.697 178.582 175.800 0.142 0.000 1.104 95 F CA 1.921 59.997 58.000 0.126 0.000 1.232 95 F CB -1.017 38.101 39.000 0.196 0.000 0.987 95 F HN 0.333 nan 8.300 nan 0.000 0.475 96 T N -1.982 112.698 114.554 0.210 0.000 2.951 96 T HA -0.106 4.244 4.350 -0.000 0.000 0.268 96 T C 2.162 176.833 174.700 -0.048 0.000 1.073 96 T CA 1.088 63.240 62.100 0.087 0.000 1.134 96 T CB -0.461 68.552 68.868 0.240 0.000 0.884 96 T HN 0.337 nan 8.240 nan 0.000 0.479 97 R N 0.522 121.022 120.500 -0.001 0.000 2.057 97 R HA 0.175 4.515 4.340 -0.000 0.000 0.229 97 R C 2.979 179.231 176.300 -0.080 0.000 1.136 97 R CA 0.734 56.821 56.100 -0.022 0.000 0.952 97 R CB -0.142 30.172 30.300 0.023 0.000 0.848 97 R HN 0.299 nan 8.270 nan 0.000 0.430 98 R N 0.334 120.773 120.500 -0.102 0.000 2.096 98 R HA -0.144 4.196 4.340 -0.000 0.000 0.240 98 R C 1.697 177.871 176.300 -0.211 0.000 1.139 98 R CA 1.651 57.668 56.100 -0.139 0.000 0.952 98 R CB -0.015 30.199 30.300 -0.144 0.000 0.854 98 R HN 0.256 nan 8.270 nan 0.000 0.436 99 E N 0.152 120.139 120.200 -0.354 0.000 2.442 99 E HA -0.036 4.314 4.350 -0.000 0.000 0.195 99 E C 0.033 176.495 176.600 -0.231 0.000 1.030 99 E CA 0.161 56.345 56.400 -0.360 0.000 0.869 99 E CB 0.342 29.658 29.700 -0.639 0.000 0.857 99 E HN 0.145 nan 8.360 nan 0.000 0.505 100 K N 0.266 120.550 120.400 -0.193 0.000 3.096 100 K HA -0.140 4.180 4.320 -0.000 0.000 0.266 100 K C -0.577 175.908 176.600 -0.191 0.000 1.043 100 K CA 0.252 56.445 56.287 -0.157 0.000 0.758 100 K CB -1.478 30.948 32.500 -0.123 0.000 1.260 100 K HN -0.014 nan 8.250 nan 0.000 0.481 101 V N 0.355 120.132 119.914 -0.228 0.000 2.547 101 V HA 0.525 4.645 4.120 -0.000 0.000 0.299 101 V C -0.079 175.732 176.094 -0.471 0.000 1.040 101 V CA -0.072 62.041 62.300 -0.311 0.000 0.913 101 V CB 2.091 33.769 31.823 -0.242 0.000 0.992 101 V HN 0.259 nan 8.190 nan 0.000 0.449 102 T N 5.820 120.014 114.554 -0.600 0.000 2.861 102 T HA 0.616 4.966 4.350 -0.000 0.000 0.287 102 T C -1.514 172.742 174.700 -0.740 0.000 1.003 102 T CA -0.066 61.671 62.100 -0.605 0.000 0.977 102 T CB 0.992 69.646 68.868 -0.357 0.000 0.996 102 T HN 0.515 nan 8.240 nan 0.000 0.448 103 Y N 1.142 121.245 120.300 -0.328 0.000 2.420 103 Y HA 0.349 4.899 4.550 0.000 0.000 0.334 103 Y C 1.409 177.262 175.900 -0.077 0.000 1.094 103 Y CA -0.899 57.112 58.100 -0.148 0.000 1.126 103 Y CB 1.163 39.571 38.460 -0.086 0.000 1.217 103 Y HN 0.624 nan 8.280 nan 0.000 0.462 104 D N 1.473 121.945 120.400 0.120 0.000 2.305 104 D HA 0.069 4.709 4.640 -0.000 0.000 0.206 104 D C -0.242 176.118 176.300 0.100 0.000 0.974 104 D CA 1.008 55.056 54.000 0.081 0.000 0.871 104 D CB 0.818 41.652 40.800 0.056 0.000 0.947 104 D HN 0.393 nan 8.370 nan 0.000 0.516 105 L N -0.092 121.203 121.223 0.121 0.000 2.653 105 L HA 0.370 4.710 4.340 -0.000 0.000 0.257 105 L C -2.001 174.907 176.870 0.063 0.000 0.969 105 L CA -0.629 54.243 54.840 0.052 0.000 0.869 105 L CB 2.222 44.224 42.059 -0.096 0.000 1.439 105 L HN -0.311 nan 8.230 nan 0.000 0.414 106 I N 2.228 122.836 120.570 0.064 0.000 2.474 106 I HA 0.400 4.570 4.170 -0.000 0.000 0.294 106 I C -0.907 175.268 176.117 0.097 0.000 1.005 106 I CA -0.343 61.007 61.300 0.083 0.000 1.113 106 I CB 1.777 39.848 38.000 0.119 0.000 1.289 106 I HN 0.563 nan 8.210 nan 0.000 0.436 107 H N 4.983 124.059 119.070 0.009 0.000 2.762 107 H HA 0.468 5.024 4.556 -0.000 0.000 0.310 107 H C -0.682 174.664 175.328 0.029 0.000 1.004 107 H CA -0.678 55.388 56.048 0.031 0.000 1.267 107 H CB 1.067 30.893 29.762 0.107 0.000 1.437 107 H HN 0.701 nan 8.280 nan 0.000 0.498 108 S N 4.482 120.338 115.700 0.260 0.000 2.578 108 S HA 0.318 4.788 4.470 -0.000 0.000 0.283 108 S C -0.579 173.991 174.600 -0.050 0.000 1.195 108 S CA -0.825 57.497 58.200 0.202 0.000 1.050 108 S CB 1.529 64.931 63.200 0.335 0.000 1.012 108 S HN 0.679 nan 8.310 nan 0.000 0.511 109 H N 1.456 120.676 119.070 0.250 0.000 2.646 109 H HA 0.419 4.975 4.556 -0.000 0.000 0.328 109 H C -0.881 174.677 175.328 0.382 0.000 0.998 109 H CA 0.000 56.198 56.048 0.249 0.000 1.225 109 H CB 0.824 30.676 29.762 0.150 0.000 1.457 109 H HN 0.837 nan 8.280 nan 0.000 0.505 110 Y N 2.075 122.570 120.300 0.325 0.000 2.519 110 Y HA -0.290 4.260 4.550 -0.000 0.000 0.021 110 Y C 0.730 176.845 175.900 0.358 0.000 1.717 110 Y CA -0.250 58.035 58.100 0.309 0.000 1.410 110 Y CB -0.258 38.337 38.460 0.225 0.000 2.057 110 Y HN 0.773 nan 8.280 nan 0.000 0.256 111 W N 4.012 125.143 121.300 -0.281 0.000 2.342 111 W HA -0.164 4.496 4.660 -0.000 0.000 0.297 111 W C 1.256 177.730 176.519 -0.074 0.000 1.213 111 W CA 1.744 58.983 57.345 -0.176 0.000 1.251 111 W CB -1.324 27.947 29.460 -0.316 0.000 1.136 111 W HN 0.667 nan 8.180 nan 0.000 0.526 112 L N 1.893 122.600 121.223 -0.860 0.000 1.989 112 L HA -0.257 4.083 4.340 -0.000 0.000 0.211 112 L C 2.947 179.708 176.870 -0.181 0.000 1.071 112 L CA 2.389 56.830 54.840 -0.665 0.000 0.749 112 L CB -1.191 40.461 42.059 -0.679 0.000 0.890 112 L HN -0.112 nan 8.230 nan 0.000 0.431 113 S N -0.106 115.588 115.700 -0.009 0.000 2.399 113 S HA -0.123 4.347 4.470 -0.000 0.000 0.231 113 S C 2.011 176.694 174.600 0.138 0.000 1.022 113 S CA 1.091 59.352 58.200 0.103 0.000 0.983 113 S CB -0.668 62.656 63.200 0.207 0.000 0.803 113 S HN 0.624 nan 8.310 nan 0.000 0.480 114 G N 1.565 110.445 108.800 0.134 0.000 2.418 114 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.217 114 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.217 114 G C 1.385 176.310 174.900 0.043 0.000 1.158 114 G CA 0.479 45.554 45.100 -0.041 0.000 0.771 114 G HN 0.343 nan 8.290 nan 0.000 0.545 115 Q N 0.240 120.096 119.800 0.094 0.000 2.096 115 Q HA -0.091 4.249 4.340 -0.000 0.000 0.204 115 Q C 2.958 179.023 176.000 0.109 0.000 0.982 115 Q CA 1.208 57.120 55.803 0.182 0.000 0.850 115 Q CB -0.726 28.111 28.738 0.166 0.000 0.901 115 Q HN 0.425 nan 8.270 nan 0.000 0.422 116 V N 0.443 120.400 119.914 0.073 0.000 2.261 116 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 116 V C 2.402 178.496 176.094 0.000 0.000 1.047 116 V CA 1.980 64.310 62.300 0.050 0.000 1.015 116 V CB -1.355 30.564 31.823 0.160 0.000 0.642 116 V HN 0.451 nan 8.190 nan 0.000 0.446 117 G N -1.037 107.796 108.800 0.056 0.000 2.469 117 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.219 117 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.219 117 G C 1.347 176.304 174.900 0.094 0.000 1.150 117 G CA 1.016 46.147 45.100 0.051 0.000 0.763 117 G HN 0.598 nan 8.290 nan 0.000 0.561 118 W N 1.188 122.436 121.300 -0.086 0.000 2.355 118 W HA 0.031 4.691 4.660 -0.000 0.000 0.309 118 W C 2.262 178.720 176.519 -0.101 0.000 1.206 118 W CA 1.150 58.446 57.345 -0.082 0.000 1.284 118 W CB -0.897 28.517 29.460 -0.077 0.000 1.145 118 W HN 0.176 nan 8.180 nan 0.000 0.502 119 L N 0.180 121.301 121.223 -0.170 0.000 2.017 119 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 119 L C 2.559 179.250 176.870 -0.298 0.000 1.073 119 L CA 1.788 56.439 54.840 -0.315 0.000 0.745 119 L CB -0.693 41.190 42.059 -0.293 0.000 0.894 119 L HN -0.018 nan 8.230 nan 0.000 0.432 120 L N -0.168 120.842 121.223 -0.356 0.000 2.046 120 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 120 L C 2.836 179.447 176.870 -0.433 0.000 1.077 120 L CA 1.626 56.062 54.840 -0.675 0.000 0.747 120 L CB -0.618 40.903 42.059 -0.897 0.000 0.896 120 L HN 0.413 nan 8.230 nan 0.000 0.432 121 R N -0.168 120.257 120.500 -0.126 0.000 2.092 121 R HA -0.138 4.202 4.340 -0.000 0.000 0.231 121 R C 1.581 177.918 176.300 0.062 0.000 1.119 121 R CA 1.698 57.827 56.100 0.048 0.000 0.970 121 R CB -0.804 29.563 30.300 0.112 0.000 0.864 121 R HN 0.228 nan 8.270 nan 0.000 0.440 122 D N 0.261 120.671 120.400 0.017 0.000 2.183 122 D HA -0.087 4.553 4.640 -0.000 0.000 0.203 122 D C 1.748 178.048 176.300 -0.000 0.000 0.969 122 D CA 0.928 54.941 54.000 0.022 0.000 0.842 122 D CB -0.084 40.710 40.800 -0.010 0.000 0.957 122 D HN 0.195 nan 8.370 nan 0.000 0.484 123 L N -0.150 121.022 121.223 -0.086 0.000 2.044 123 L HA -0.071 4.269 4.340 -0.000 0.000 0.205 123 L C 1.670 178.621 176.870 0.136 0.000 1.075 123 L CA 1.381 56.184 54.840 -0.062 0.000 0.747 123 L CB -0.580 41.333 42.059 -0.243 0.000 0.903 123 L HN 0.057 nan 8.230 nan 0.000 0.435 124 W N 0.411 121.725 121.300 0.024 0.000 2.905 124 W HA 0.185 4.845 4.660 0.000 0.000 0.251 124 W C 0.697 177.239 176.519 0.038 0.000 1.305 124 W CA -0.007 57.359 57.345 0.035 0.000 1.465 124 W CB -0.710 28.783 29.460 0.054 0.000 1.122 124 W HN 0.181 nan 8.180 nan 0.000 0.659 125 R N 0.407 121.047 120.500 0.234 0.000 3.209 125 R HA -0.204 4.136 4.340 -0.000 0.000 0.252 125 R C -0.265 176.129 176.300 0.157 0.000 0.958 125 R CA 0.990 57.183 56.100 0.155 0.000 0.651 125 R CB -2.699 27.671 30.300 0.117 0.000 1.142 125 R HN 0.293 nan 8.270 nan 0.000 0.441 126 I N -4.178 116.501 120.570 0.181 0.000 3.074 126 I HA 0.744 4.914 4.170 -0.000 0.000 0.310 126 I C -2.720 173.477 176.117 0.134 0.000 1.153 126 I CA -3.306 58.090 61.300 0.160 0.000 0.993 126 I CB 2.693 40.817 38.000 0.207 0.000 1.237 126 I HN -0.267 nan 8.210 nan 0.000 0.443 127 P HA 0.338 nan 4.420 nan 0.000 0.278 127 P C -1.112 176.235 177.300 0.078 0.000 1.238 127 P CA -0.338 62.810 63.100 0.080 0.000 0.794 127 P CB 0.979 32.717 31.700 0.062 0.000 0.955 128 L N 3.896 125.161 121.223 0.069 0.000 2.287 128 L HA 0.419 4.759 4.340 -0.000 0.000 0.287 128 L C -1.003 175.894 176.870 0.046 0.000 1.022 128 L CA -0.398 54.483 54.840 0.069 0.000 0.814 128 L CB 0.228 42.334 42.059 0.080 0.000 1.217 128 L HN 0.135 nan 8.230 nan 0.000 0.420 129 I N 4.982 125.568 120.570 0.026 0.000 2.331 129 I HA 0.309 4.479 4.170 -0.000 0.000 0.292 129 I C -0.386 175.768 176.117 0.063 0.000 0.998 129 I CA -0.369 60.902 61.300 -0.047 0.000 1.267 129 I CB 0.677 38.518 38.000 -0.265 0.000 1.386 129 I HN 0.679 nan 8.210 nan 0.000 0.476 130 H N 4.273 123.323 119.070 -0.033 0.000 2.529 130 H HA 0.594 5.150 4.556 -0.000 0.000 0.348 130 H C -1.021 174.314 175.328 0.012 0.000 1.079 130 H CA -0.236 55.825 56.048 0.021 0.000 1.198 130 H CB 1.447 31.201 29.762 -0.013 0.000 1.521 130 H HN 0.552 nan 8.280 nan 0.000 0.514 131 T N 4.919 119.112 114.554 -0.602 0.000 2.791 131 T HA 0.438 4.788 4.350 -0.000 0.000 0.288 131 T C 1.057 175.351 174.700 -0.676 0.000 0.999 131 T CA -0.017 61.765 62.100 -0.529 0.000 0.952 131 T CB 1.460 70.141 68.868 -0.312 0.000 0.938 131 T HN 0.788 nan 8.240 nan 0.000 0.444 132 A N 2.672 125.207 122.820 -0.475 0.000 1.929 132 A HA -0.030 4.290 4.320 -0.000 0.000 0.216 132 A C 1.597 179.260 177.584 0.131 0.000 1.176 132 A CA 1.547 53.506 52.037 -0.130 0.000 0.628 132 A CB -0.616 18.338 19.000 -0.076 0.000 0.816 132 A HN 1.088 nan 8.150 nan 0.000 0.444 133 H N -0.866 118.226 119.070 0.037 0.000 4.988 133 H HA -0.212 4.344 4.556 -0.000 0.000 0.062 133 H C 0.644 176.041 175.328 0.115 0.000 0.573 133 H CA 2.161 58.270 56.048 0.101 0.000 0.989 133 H CB -2.148 27.706 29.762 0.152 0.000 0.461 133 H HN 0.793 nan 8.280 nan 0.000 0.781 134 T N -0.504 114.217 114.554 0.278 0.000 2.883 134 T HA 0.761 5.111 4.350 -0.000 0.000 0.296 134 T C -0.395 174.372 174.700 0.112 0.000 1.117 134 T CA -0.965 61.235 62.100 0.167 0.000 1.006 134 T CB 3.022 71.986 68.868 0.159 0.000 1.191 134 T HN 0.217 nan 8.240 nan 0.000 0.508 135 L N 0.842 122.096 121.223 0.051 0.000 2.455 135 L HA 0.678 5.018 4.340 -0.000 0.000 0.264 135 L C 1.466 178.344 176.870 0.014 0.000 0.968 135 L CA -1.234 53.618 54.840 0.021 0.000 0.827 135 L CB 1.968 44.053 42.059 0.044 0.000 1.317 135 L HN 0.959 nan 8.230 nan 0.000 0.407 136 A N 2.356 125.165 122.820 -0.019 0.000 1.873 136 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 136 A C 2.100 179.660 177.584 -0.040 0.000 1.193 136 A CA 2.243 54.246 52.037 -0.056 0.000 0.629 136 A CB -0.650 18.273 19.000 -0.128 0.000 0.826 136 A HN 0.885 nan 8.150 nan 0.000 0.447 137 A N -1.391 121.428 122.820 -0.000 0.000 2.216 137 A HA 0.372 4.692 4.320 -0.000 0.000 0.214 137 A C 0.928 178.348 177.584 -0.274 0.000 1.160 137 A CA 1.213 53.169 52.037 -0.135 0.000 0.725 137 A CB -0.459 18.363 19.000 -0.296 0.000 0.784 137 A HN 0.350 nan 8.150 nan 0.000 0.472 148 T N -2.952 111.583 114.554 -0.031 0.000 2.930 148 T HA 0.639 4.989 4.350 -0.000 0.000 0.290 148 T C -1.999 172.681 174.700 -0.032 0.000 1.052 148 T CA -1.772 60.313 62.100 -0.025 0.000 1.017 148 T CB 2.083 70.940 68.868 -0.018 0.000 1.137 148 T HN -0.327 nan 8.240 nan 0.000 0.511 149 P HA -0.150 nan 4.420 nan 0.000 0.216 149 P C 1.598 178.875 177.300 -0.038 0.000 1.150 149 P CA 1.115 64.198 63.100 -0.028 0.000 0.843 149 P CB 0.085 31.776 31.700 -0.015 0.000 0.787 150 E N 0.146 120.330 120.200 -0.027 0.000 2.072 150 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 150 E C 1.931 178.483 176.600 -0.081 0.000 0.985 150 E CA 1.946 58.330 56.400 -0.028 0.000 0.801 150 E CB -1.407 28.300 29.700 0.012 0.000 0.750 150 E HN 0.364 nan 8.360 nan 0.000 0.452 151 S N 1.273 116.926 115.700 -0.078 0.000 2.387 151 S HA -0.104 4.366 4.470 -0.000 0.000 0.226 151 S C 1.888 176.397 174.600 -0.150 0.000 1.026 151 S CA 0.689 58.817 58.200 -0.119 0.000 0.972 151 S CB -0.119 63.032 63.200 -0.082 0.000 0.814 151 S HN 0.041 nan 8.310 nan 0.000 0.477 152 E N 2.126 122.261 120.200 -0.109 0.000 2.097 152 E HA -0.098 4.252 4.350 -0.000 0.000 0.196 152 E C 2.384 178.901 176.600 -0.139 0.000 1.000 152 E CA 1.400 57.736 56.400 -0.107 0.000 0.804 152 E CB -0.729 28.928 29.700 -0.072 0.000 0.740 152 E HN 0.696 nan 8.360 nan 0.000 0.454 153 A N 1.296 124.027 122.820 -0.149 0.000 1.930 153 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 153 A C 2.213 179.581 177.584 -0.360 0.000 1.175 153 A CA 1.594 53.529 52.037 -0.170 0.000 0.627 153 A CB -0.443 18.498 19.000 -0.098 0.000 0.815 153 A HN 0.175 nan 8.150 nan 0.000 0.443 154 R N -0.511 119.650 120.500 -0.565 0.000 2.066 154 R HA -0.113 4.227 4.340 -0.000 0.000 0.232 154 R C 2.392 178.272 176.300 -0.700 0.000 1.131 154 R CA 1.445 56.865 56.100 -1.134 0.000 0.955 154 R CB -0.398 29.221 30.300 -1.135 0.000 0.851 154 R HN 0.469 nan 8.270 nan 0.000 0.432 155 R N 0.552 120.836 120.500 -0.361 0.000 2.096 155 R HA -0.167 4.173 4.340 -0.000 0.000 0.240 155 R C 2.318 178.585 176.300 -0.054 0.000 1.139 155 R CA 2.154 58.181 56.100 -0.123 0.000 0.952 155 R CB -0.425 29.809 30.300 -0.111 0.000 0.854 155 R HN 0.337 nan 8.270 nan 0.000 0.436 156 I N -0.066 120.436 120.570 -0.113 0.000 2.208 156 I HA -0.381 3.789 4.170 -0.000 0.000 0.245 156 I C 2.501 178.595 176.117 -0.037 0.000 1.097 156 I CA 1.174 62.441 61.300 -0.054 0.000 1.363 156 I CB -0.191 37.778 38.000 -0.052 0.000 1.051 156 I HN 0.331 nan 8.210 nan 0.000 0.413 157 C N 0.307 119.541 119.300 -0.111 0.000 2.440 157 C HA -0.108 4.352 4.460 -0.000 0.000 0.278 157 C C 2.623 177.591 174.990 -0.037 0.000 1.295 157 C CA 0.613 59.620 59.018 -0.017 0.000 1.738 157 C CB -0.999 26.766 27.740 0.041 0.000 1.987 157 C HN 0.486 nan 8.230 nan 0.000 0.492 158 E N 0.278 120.410 120.200 -0.113 0.000 2.106 158 E HA -0.255 4.095 4.350 -0.000 0.000 0.192 158 E C 2.147 178.680 176.600 -0.112 0.000 0.984 158 E CA 1.027 57.348 56.400 -0.131 0.000 0.806 158 E CB -0.209 29.380 29.700 -0.184 0.000 0.750 158 E HN 0.518 nan 8.360 nan 0.000 0.458 159 Q N 1.129 120.985 119.800 0.093 0.000 2.124 159 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 159 Q C 1.839 177.815 176.000 -0.040 0.000 0.977 159 Q CA 1.616 57.507 55.803 0.147 0.000 0.850 159 Q CB 0.028 28.857 28.738 0.153 0.000 0.901 159 Q HN 0.274 nan 8.270 nan 0.000 0.429 160 Q N -0.665 119.079 119.800 -0.093 0.000 2.119 160 Q HA -0.082 4.258 4.340 -0.000 0.000 0.201 160 Q C 2.058 177.754 176.000 -0.505 0.000 0.972 160 Q CA 1.385 57.037 55.803 -0.252 0.000 0.847 160 Q CB -0.038 28.637 28.738 -0.105 0.000 0.903 160 Q HN 0.398 nan 8.270 nan 0.000 0.433 161 L N -0.402 120.588 121.223 -0.388 0.000 2.109 161 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 161 L C 2.313 178.985 176.870 -0.329 0.000 1.086 161 L CA 0.506 55.073 54.840 -0.454 0.000 0.760 161 L CB -0.440 41.339 42.059 -0.467 0.000 0.910 161 L HN 0.077 nan 8.230 nan 0.000 0.437 162 V N 0.153 119.928 119.914 -0.231 0.000 2.324 162 V HA -0.316 3.804 4.120 -0.000 0.000 0.250 162 V C 1.875 177.875 176.094 -0.156 0.000 1.060 162 V CA 2.028 64.235 62.300 -0.155 0.000 1.042 162 V CB -0.477 31.284 31.823 -0.102 0.000 0.650 162 V HN 0.466 nan 8.190 nan 0.000 0.450 163 D N -0.796 119.485 120.400 -0.199 0.000 2.347 163 D HA -0.029 4.611 4.640 -0.000 0.000 0.215 163 D C 1.722 177.872 176.300 -0.250 0.000 0.976 163 D CA 0.685 54.575 54.000 -0.184 0.000 0.884 163 D CB -0.036 40.669 40.800 -0.159 0.000 0.915 163 D HN 0.493 nan 8.370 nan 0.000 0.526 164 N N -0.320 118.138 118.700 -0.402 0.000 2.380 164 N HA 0.108 4.848 4.740 -0.000 0.000 0.227 164 N C 0.573 175.874 175.510 -0.347 0.000 1.139 164 N CA -0.021 52.738 53.050 -0.484 0.000 0.843 164 N CB 0.915 38.726 38.487 -1.126 0.000 1.327 164 N HN -0.043 nan 8.380 nan 0.000 0.470 165 A N 1.509 124.144 122.820 -0.308 0.000 2.547 165 A HA 0.004 4.324 4.320 -0.000 0.000 0.233 165 A C 0.849 178.386 177.584 -0.078 0.000 1.067 165 A CA 0.386 52.333 52.037 -0.149 0.000 0.763 165 A CB 0.304 19.258 19.000 -0.077 0.000 1.007 165 A HN 0.126 nan 8.150 nan 0.000 0.506 166 D N -0.231 120.153 120.400 -0.027 0.000 2.162 166 D HA 0.059 4.699 4.640 -0.000 0.000 0.203 166 D C 0.003 176.299 176.300 -0.008 0.000 0.967 166 D CA 1.451 55.446 54.000 -0.008 0.000 0.840 166 D CB 0.185 40.996 40.800 0.018 0.000 0.972 166 D HN 0.239 nan 8.370 nan 0.000 0.482 167 V N 1.640 121.551 119.914 -0.005 0.000 2.686 167 V HA 0.262 4.382 4.120 -0.000 0.000 0.306 167 V C -0.313 175.773 176.094 -0.012 0.000 1.065 167 V CA -0.682 61.612 62.300 -0.011 0.000 0.894 167 V CB 2.537 34.356 31.823 -0.006 0.000 1.004 167 V HN -0.046 nan 8.190 nan 0.000 0.424 168 L N 4.383 125.595 121.223 -0.019 0.000 2.268 168 L HA 0.665 5.005 4.340 -0.000 0.000 0.289 168 L C 0.647 177.492 176.870 -0.041 0.000 1.064 168 L CA -0.236 54.592 54.840 -0.020 0.000 0.824 168 L CB 1.073 43.115 42.059 -0.029 0.000 1.202 168 L HN 0.763 nan 8.230 nan 0.000 0.433 169 A N 4.577 127.362 122.820 -0.058 0.000 2.269 169 A HA 0.624 4.944 4.320 -0.000 0.000 0.302 169 A C 0.017 177.553 177.584 -0.079 0.000 1.266 169 A CA -0.480 51.527 52.037 -0.051 0.000 0.894 169 A CB 0.619 19.602 19.000 -0.027 0.000 1.147 169 A HN 0.535 nan 8.150 nan 0.000 0.537 170 V N 0.912 120.789 119.914 -0.061 0.000 3.096 170 V HA 0.528 4.648 4.120 -0.000 0.000 0.319 170 V C 0.349 176.407 176.094 -0.060 0.000 1.103 170 V CA -0.685 61.570 62.300 -0.074 0.000 1.016 170 V CB 1.672 33.471 31.823 -0.041 0.000 1.090 170 V HN 0.805 nan 8.190 nan 0.000 0.449 171 N N 0.146 118.811 118.700 -0.058 0.000 2.282 171 N HA 0.233 4.973 4.740 -0.000 0.000 0.185 171 N C 0.104 175.598 175.510 -0.025 0.000 1.099 171 N CA 0.665 53.675 53.050 -0.068 0.000 0.878 171 N CB 0.633 39.070 38.487 -0.084 0.000 0.993 171 N HN 1.026 nan 8.380 nan 0.000 0.481 172 T N -4.231 110.330 114.554 0.013 0.000 2.792 172 T HA 0.153 4.503 4.350 -0.000 0.000 0.303 172 T C 0.182 174.902 174.700 0.033 0.000 1.310 172 T CA -0.764 61.355 62.100 0.031 0.000 1.007 172 T CB 2.006 70.912 68.868 0.062 0.000 1.335 172 T HN -0.228 nan 8.240 nan 0.000 0.504 173 Q N -0.329 119.494 119.800 0.039 0.000 2.167 173 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 173 Q C 1.867 177.902 176.000 0.057 0.000 0.970 173 Q CA 1.148 56.975 55.803 0.040 0.000 0.855 173 Q CB 0.014 28.776 28.738 0.040 0.000 0.911 173 Q HN 0.740 nan 8.270 nan 0.000 0.438 174 E N 0.722 120.963 120.200 0.069 0.000 2.110 174 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 174 E C 1.463 178.123 176.600 0.100 0.000 0.988 174 E CA 1.029 57.483 56.400 0.089 0.000 0.804 174 E CB 0.170 29.922 29.700 0.086 0.000 0.745 174 E HN 0.419 nan 8.360 nan 0.000 0.458 175 E N 0.161 120.408 120.200 0.078 0.000 2.150 175 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 175 E C 2.096 178.733 176.600 0.062 0.000 0.985 175 E CA 0.834 57.276 56.400 0.070 0.000 0.814 175 E CB -0.109 29.615 29.700 0.039 0.000 0.752 175 E HN 0.244 nan 8.360 nan 0.000 0.466 176 M N 0.668 120.294 119.600 0.043 0.000 2.086 176 M HA -0.242 4.238 4.480 -0.000 0.000 0.261 176 M C 1.976 178.294 176.300 0.030 0.000 1.067 176 M CA 1.484 56.798 55.300 0.024 0.000 1.116 176 M CB 0.152 32.759 32.600 0.012 0.000 1.348 176 M HN -0.015 nan 8.290 nan 0.000 0.407 177 Q N 0.425 120.265 119.800 0.067 0.000 2.084 177 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 177 Q C 1.665 177.787 176.000 0.204 0.000 0.978 177 Q CA 1.618 57.474 55.803 0.089 0.000 0.844 177 Q CB -0.743 28.132 28.738 0.228 0.000 0.898 177 Q HN 0.593 nan 8.270 nan 0.000 0.426 178 D N 0.594 121.148 120.400 0.257 0.000 2.104 178 D HA -0.141 4.499 4.640 -0.000 0.000 0.194 178 D C 2.013 178.528 176.300 0.358 0.000 0.994 178 D CA 0.708 54.928 54.000 0.368 0.000 0.830 178 D CB -0.142 40.802 40.800 0.240 0.000 0.959 178 D HN 0.080 nan 8.370 nan 0.000 0.452 179 L N 0.258 121.602 121.223 0.201 0.000 2.042 179 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 179 L C 2.472 179.431 176.870 0.149 0.000 1.076 179 L CA 1.443 56.386 54.840 0.171 0.000 0.749 179 L CB -0.578 41.500 42.059 0.031 0.000 0.893 179 L HN 0.095 nan 8.230 nan 0.000 0.432 180 M N -2.347 117.255 119.600 0.003 0.000 2.200 180 M HA -0.174 4.306 4.480 -0.000 0.000 0.265 180 M C 2.183 178.381 176.300 -0.170 0.000 1.066 180 M CA 1.438 56.657 55.300 -0.134 0.000 1.127 180 M CB -0.356 32.073 32.600 -0.284 0.000 1.379 180 M HN 0.326 nan 8.290 nan 0.000 0.420 181 H N -1.729 117.363 119.070 0.037 0.000 2.355 181 H HA 0.014 4.570 4.556 0.000 0.000 0.303 181 H C 1.820 177.036 175.328 -0.185 0.000 1.061 181 H CA 1.033 57.020 56.048 -0.101 0.000 1.368 181 H CB 0.139 29.793 29.762 -0.181 0.000 1.412 181 H HN 0.361 nan 8.280 nan 0.000 0.523 182 H N -1.416 117.724 119.070 0.116 0.000 2.544 182 H HA 0.032 4.588 4.556 -0.000 0.000 0.269 182 H C 0.405 175.504 175.328 -0.382 0.000 0.970 182 H CA 0.934 56.912 56.048 -0.116 0.000 1.219 182 H CB 0.674 30.367 29.762 -0.114 0.000 1.421 182 H HN 0.455 nan 8.280 nan 0.000 0.555 183 Y N -0.512 119.840 120.300 0.086 0.000 2.672 183 Y HA 0.101 4.651 4.550 -0.000 0.000 0.252 183 Y C 0.263 176.156 175.900 -0.012 0.000 1.132 183 Y CA -0.383 57.732 58.100 0.025 0.000 1.228 183 Y CB 0.925 39.395 38.460 0.016 0.000 1.310 183 Y HN -0.012 nan 8.280 nan 0.000 0.549 184 D N 1.142 121.591 120.400 0.083 0.000 2.751 184 D HA -0.190 4.450 4.640 -0.000 0.000 0.233 184 D C 0.203 176.517 176.300 0.024 0.000 1.149 184 D CA 0.651 54.666 54.000 0.025 0.000 0.682 184 D CB -0.768 40.037 40.800 0.009 0.000 1.068 184 D HN 0.372 nan 8.370 nan 0.000 0.429 185 A N 0.611 123.453 122.820 0.037 0.000 2.498 185 A HA 0.284 4.604 4.320 -0.000 0.000 0.239 185 A C 0.444 178.016 177.584 -0.019 0.000 1.068 185 A CA 0.214 52.256 52.037 0.008 0.000 0.766 185 A CB 0.480 19.485 19.000 0.007 0.000 1.003 185 A HN 0.322 nan 8.150 nan 0.000 0.497 186 D N 2.821 123.207 120.400 -0.023 0.000 2.358 186 D HA 0.172 4.812 4.640 -0.000 0.000 0.258 186 D C -1.274 175.009 176.300 -0.027 0.000 1.223 186 D CA -1.785 52.199 54.000 -0.026 0.000 0.886 186 D CB 1.045 41.830 40.800 -0.024 0.000 1.120 186 D HN 0.213 nan 8.370 nan 0.000 0.482 187 P HA -0.107 nan 4.420 nan 0.000 0.220 187 P C 0.576 177.864 177.300 -0.020 0.000 1.148 187 P CA 0.622 63.705 63.100 -0.028 0.000 0.803 187 P CB 0.486 32.167 31.700 -0.031 0.000 0.782 188 D N -0.398 119.992 120.400 -0.017 0.000 2.264 188 D HA -0.083 4.556 4.640 -0.000 0.000 0.208 188 D C 1.847 178.140 176.300 -0.013 0.000 0.966 188 D CA 0.735 54.727 54.000 -0.012 0.000 0.864 188 D CB -0.136 40.658 40.800 -0.010 0.000 0.933 188 D HN 0.164 nan 8.370 nan 0.000 0.499 189 R N -0.054 120.435 120.500 -0.018 0.000 2.300 189 R HA 0.227 4.567 4.340 -0.000 0.000 0.199 189 R C 0.577 176.865 176.300 -0.021 0.000 0.920 189 R CA -0.073 56.015 56.100 -0.019 0.000 1.046 189 R CB 0.752 31.035 30.300 -0.028 0.000 0.984 189 R HN 0.224 nan 8.270 nan 0.000 0.493 190 I N 0.584 121.141 120.570 -0.021 0.000 2.385 190 I HA 0.133 4.303 4.170 -0.000 0.000 0.294 190 I C 0.203 176.309 176.117 -0.017 0.000 0.988 190 I CA -0.329 60.958 61.300 -0.022 0.000 1.265 190 I CB 1.737 39.723 38.000 -0.022 0.000 1.388 190 I HN -0.199 nan 8.210 nan 0.000 0.480 191 S N 5.007 120.695 115.700 -0.019 0.000 2.614 191 S HA 0.494 4.964 4.470 -0.000 0.000 0.288 191 S C -0.762 173.829 174.600 -0.015 0.000 1.137 191 S CA -0.585 57.606 58.200 -0.016 0.000 0.992 191 S CB 1.358 64.548 63.200 -0.016 0.000 1.026 191 S HN 0.288 nan 8.310 nan 0.000 0.486 192 V N 5.249 125.157 119.914 -0.010 0.000 2.488 192 V HA 0.377 4.497 4.120 -0.000 0.000 0.277 192 V C -0.209 175.882 176.094 -0.005 0.000 1.046 192 V CA -0.284 62.011 62.300 -0.008 0.000 0.986 192 V CB 1.209 33.031 31.823 -0.002 0.000 0.989 192 V HN 0.684 nan 8.190 nan 0.000 0.475 193 V N 5.165 125.079 119.914 0.001 0.000 2.349 193 V HA 0.309 4.429 4.120 -0.000 0.000 0.284 193 V C 0.251 176.348 176.094 0.004 0.000 1.014 193 V CA -0.514 61.798 62.300 0.020 0.000 0.826 193 V CB 1.864 33.733 31.823 0.077 0.000 1.009 193 V HN 0.993 nan 8.190 nan 0.000 0.431 194 S N 6.852 122.539 115.700 -0.022 0.000 2.565 194 S HA 0.584 5.054 4.470 -0.000 0.000 0.276 194 S C -2.362 172.157 174.600 -0.135 0.000 1.326 194 S CA -1.042 57.114 58.200 -0.073 0.000 1.045 194 S CB 1.251 64.427 63.200 -0.041 0.000 0.918 194 S HN 0.540 nan 8.310 nan 0.000 0.505 195 P HA 0.620 nan 4.420 nan 0.000 0.297 195 P C 0.230 177.123 177.300 -0.679 0.000 1.307 195 P CA -0.469 62.339 63.100 -0.486 0.000 0.773 195 P CB 0.564 31.598 31.700 -1.110 0.000 1.265 196 G N -2.011 105.930 108.800 -1.431 0.000 3.211 196 G HA2 0.734 4.694 3.960 -0.000 0.000 0.262 196 G HA3 0.734 4.694 3.960 -0.000 0.000 0.262 196 G C -1.776 172.119 174.900 -1.674 0.000 1.352 196 G CA -0.726 43.415 45.100 -1.598 0.000 1.004 196 G HN 0.641 nan 8.290 nan 0.000 0.559 197 A N -0.679 121.421 122.820 -1.200 0.000 2.605 197 A HA 0.559 4.879 4.320 -0.000 0.000 0.294 197 A C -1.804 175.780 177.584 -0.000 0.000 1.062 197 A CA -0.515 51.315 52.037 -0.345 0.000 0.682 197 A CB 1.834 20.802 19.000 -0.054 0.000 1.278 197 A HN 0.551 nan 8.150 nan 0.000 0.410 198 D N 2.113 122.810 120.400 0.495 0.000 2.435 198 D HA 0.280 4.920 4.640 -0.000 0.000 0.230 198 D C 0.724 177.210 176.300 0.311 0.000 1.215 198 D CA 0.267 54.534 54.000 0.444 0.000 0.947 198 D CB 0.852 41.897 40.800 0.408 0.000 1.048 198 D HN 0.120 nan 8.370 nan 0.000 0.512 199 V N 3.663 123.692 119.914 0.192 0.000 2.788 199 V HA -0.087 4.033 4.120 -0.000 0.000 0.251 199 V C 2.065 178.216 176.094 0.096 0.000 1.068 199 V CA 1.160 63.543 62.300 0.138 0.000 1.090 199 V CB -0.130 31.732 31.823 0.066 0.000 0.710 199 V HN 0.505 nan 8.190 nan 0.000 0.467 200 E N -0.359 119.885 120.200 0.074 0.000 2.072 200 E HA -0.206 4.144 4.350 -0.000 0.000 0.190 200 E C 2.048 178.654 176.600 0.009 0.000 0.982 200 E CA 1.197 57.620 56.400 0.038 0.000 0.803 200 E CB -0.081 29.637 29.700 0.032 0.000 0.755 200 E HN 0.377 nan 8.360 nan 0.000 0.453 201 L N 0.239 121.443 121.223 -0.032 0.000 2.007 201 L HA -0.087 4.253 4.340 -0.000 0.000 0.205 201 L C 0.271 177.033 176.870 -0.180 0.000 1.073 201 L CA 1.557 56.297 54.840 -0.166 0.000 0.744 201 L CB -0.420 41.444 42.059 -0.324 0.000 0.898 201 L HN 0.003 nan 8.230 nan 0.000 0.435 202 Y N 1.228 121.593 120.300 0.108 0.000 2.585 202 Y HA 0.445 4.995 4.550 -0.000 0.000 0.354 202 Y C 0.553 176.489 175.900 0.059 0.000 1.024 202 Y CA -0.090 58.074 58.100 0.106 0.000 1.321 202 Y CB -0.211 38.308 38.460 0.098 0.000 1.151 202 Y HN 0.232 nan 8.280 nan 0.000 0.525 203 S N 2.152 117.952 115.700 0.167 0.000 2.570 203 S HA 0.473 4.943 4.470 -0.000 0.000 0.270 203 S C -2.539 172.115 174.600 0.090 0.000 1.149 203 S CA -1.697 56.562 58.200 0.099 0.000 0.837 203 S CB 2.300 65.537 63.200 0.062 0.000 1.124 203 S HN 0.132 nan 8.310 nan 0.000 0.465 204 P HA 0.041 nan 4.420 nan 0.000 0.216 204 P C 0.637 177.971 177.300 0.057 0.000 1.154 204 P CA 1.978 65.112 63.100 0.056 0.000 0.865 204 P CB -0.231 31.491 31.700 0.037 0.000 0.789 205 G N -0.670 108.159 108.800 0.048 0.000 2.728 205 G HA2 0.528 4.488 3.960 -0.000 0.000 0.296 205 G HA3 0.528 4.488 3.960 -0.000 0.000 0.296 205 G C -1.058 173.859 174.900 0.028 0.000 1.401 205 G CA -0.206 44.915 45.100 0.036 0.000 1.007 205 G HN 0.222 nan 8.290 nan 0.000 0.527 206 N N 2.049 120.763 118.700 0.024 0.000 4.349 206 N HA -0.142 4.597 4.740 -0.000 0.000 0.351 206 N C -0.409 175.114 175.510 0.022 0.000 2.188 206 N CA -0.001 53.062 53.050 0.020 0.000 2.748 206 N CB -0.065 38.434 38.487 0.020 0.000 0.374 206 N HN 0.339 nan 8.380 nan 0.000 0.567 207 D N 1.641 122.052 120.400 0.018 0.000 2.219 207 D HA -0.013 4.627 4.640 -0.000 0.000 0.205 207 D C 1.311 177.624 176.300 0.021 0.000 0.970 207 D CA 1.189 55.200 54.000 0.018 0.000 0.851 207 D CB 0.116 40.925 40.800 0.014 0.000 0.943 207 D HN 0.446 nan 8.370 nan 0.000 0.488 208 R N 0.260 120.772 120.500 0.021 0.000 2.362 208 R HA 0.383 4.723 4.340 -0.000 0.000 0.227 208 R C 1.639 177.955 176.300 0.027 0.000 0.905 208 R CA 0.235 56.348 56.100 0.022 0.000 1.067 208 R CB 0.178 30.489 30.300 0.019 0.000 1.078 208 R HN 0.088 nan 8.270 nan 0.000 0.516 209 A N 0.993 123.831 122.820 0.029 0.000 1.898 209 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 209 A C 2.087 179.696 177.584 0.042 0.000 1.181 209 A CA 1.721 53.779 52.037 0.035 0.000 0.620 209 A CB -0.606 18.417 19.000 0.039 0.000 0.819 209 A HN 0.148 nan 8.150 nan 0.000 0.442 210 T N 0.805 115.385 114.554 0.044 0.000 2.684 210 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 210 T C 1.815 176.540 174.700 0.042 0.000 1.036 210 T CA 1.693 63.821 62.100 0.047 0.000 1.148 210 T CB -0.307 68.588 68.868 0.045 0.000 0.863 210 T HN 0.768 nan 8.240 nan 0.000 0.436 211 E N 1.307 121.529 120.200 0.037 0.000 2.208 211 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 211 E C 2.216 178.835 176.600 0.031 0.000 0.988 211 E CA 0.571 56.992 56.400 0.035 0.000 0.828 211 E CB -0.354 29.366 29.700 0.033 0.000 0.763 211 E HN 0.418 nan 8.360 nan 0.000 0.478 212 R N 1.191 121.709 120.500 0.030 0.000 2.081 212 R HA -0.053 4.287 4.340 -0.000 0.000 0.235 212 R C 2.269 178.586 176.300 0.028 0.000 1.131 212 R CA 1.520 57.636 56.100 0.027 0.000 0.960 212 R CB -0.026 30.289 30.300 0.025 0.000 0.856 212 R HN 0.062 nan 8.270 nan 0.000 0.436 213 S N 0.342 116.062 115.700 0.034 0.000 2.382 213 S HA -0.078 4.392 4.470 -0.000 0.000 0.228 213 S C 1.820 176.439 174.600 0.031 0.000 1.027 213 S CA 1.064 59.285 58.200 0.036 0.000 0.991 213 S CB -0.140 63.088 63.200 0.048 0.000 0.823 213 S HN 0.395 nan 8.310 nan 0.000 0.469 214 R N 0.856 121.375 120.500 0.032 0.000 2.081 214 R HA 0.041 4.381 4.340 -0.000 0.000 0.235 214 R C 2.581 178.897 176.300 0.026 0.000 1.131 214 R CA 1.089 57.207 56.100 0.029 0.000 0.960 214 R CB -0.229 30.090 30.300 0.033 0.000 0.856 214 R HN 0.304 nan 8.270 nan 0.000 0.436 215 R N 0.708 121.223 120.500 0.025 0.000 2.091 215 R HA -0.156 4.184 4.340 -0.000 0.000 0.238 215 R C 2.072 178.383 176.300 0.019 0.000 1.136 215 R CA 1.582 57.696 56.100 0.022 0.000 0.959 215 R CB -0.116 30.196 30.300 0.021 0.000 0.856 215 R HN 0.357 nan 8.270 nan 0.000 0.437 216 E N 0.140 120.351 120.200 0.019 0.000 2.152 216 E HA -0.098 4.252 4.350 -0.000 0.000 0.192 216 E C 1.442 178.051 176.600 0.016 0.000 0.983 216 E CA 0.755 57.165 56.400 0.017 0.000 0.818 216 E CB 0.168 29.878 29.700 0.018 0.000 0.758 216 E HN 0.309 nan 8.360 nan 0.000 0.467 217 L N -0.580 120.653 121.223 0.017 0.000 2.607 217 L HA 0.229 4.569 4.340 -0.000 0.000 0.228 217 L C 1.089 177.968 176.870 0.015 0.000 1.123 217 L CA 0.112 54.961 54.840 0.015 0.000 0.890 217 L CB 0.400 42.467 42.059 0.013 0.000 1.103 217 L HN 0.216 nan 8.230 nan 0.000 0.468 218 G N 1.410 110.220 108.800 0.017 0.000 2.198 218 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.260 218 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.260 218 G C 0.153 175.064 174.900 0.018 0.000 1.025 218 G CA 0.028 45.138 45.100 0.017 0.000 0.769 218 G HN 0.328 nan 8.290 nan 0.000 0.507 219 I N 1.071 121.653 120.570 0.019 0.000 2.396 219 I HA 0.301 4.470 4.170 -0.000 0.000 0.292 219 I C -1.691 174.442 176.117 0.026 0.000 0.999 219 I CA -2.474 58.838 61.300 0.020 0.000 1.310 219 I CB 1.237 39.249 38.000 0.020 0.000 1.404 219 I HN -0.134 nan 8.210 nan 0.000 0.496 220 P HA 0.001 nan 4.420 nan 0.000 0.266 220 P C 0.623 177.953 177.300 0.049 0.000 1.195 220 P CA -0.254 62.870 63.100 0.040 0.000 0.768 220 P CB 0.576 32.301 31.700 0.041 0.000 0.838 221 L N 1.471 122.733 121.223 0.066 0.000 2.093 221 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 221 L C 1.290 178.230 176.870 0.118 0.000 1.085 221 L CA 1.800 56.686 54.840 0.076 0.000 0.755 221 L CB -1.190 40.910 42.059 0.069 0.000 0.904 221 L HN 0.582 nan 8.230 nan 0.000 0.435 222 H N -0.070 119.012 119.070 0.019 0.000 2.702 222 H HA 0.278 4.834 4.556 -0.000 0.000 0.252 222 H C -0.858 174.484 175.328 0.024 0.000 1.493 222 H CA 0.132 56.192 56.048 0.019 0.000 1.273 222 H CB 0.513 30.285 29.762 0.017 0.000 1.537 222 H HN 0.036 nan 8.280 nan 0.000 0.547 223 T N 3.367 117.834 114.554 -0.146 0.000 2.775 223 T HA 0.188 4.538 4.350 -0.000 0.000 0.320 223 T C -1.480 173.163 174.700 -0.094 0.000 1.597 223 T CA -0.947 61.056 62.100 -0.162 0.000 1.022 223 T CB 1.297 70.131 68.868 -0.057 0.000 1.485 223 T HN 0.374 nan 8.240 nan 0.000 0.494 224 K N 2.107 122.461 120.400 -0.077 0.000 2.130 224 K HA 0.686 5.006 4.320 -0.000 0.000 0.268 224 K C -0.847 175.748 176.600 -0.009 0.000 0.983 224 K CA -0.592 55.671 56.287 -0.040 0.000 0.893 224 K CB 1.833 34.304 32.500 -0.047 0.000 1.066 224 K HN 0.414 nan 8.250 nan 0.000 0.450 225 V N 2.611 122.528 119.914 0.005 0.000 2.487 225 V HA 0.296 4.416 4.120 -0.000 0.000 0.298 225 V C -0.240 175.870 176.094 0.028 0.000 1.028 225 V CA -1.059 61.252 62.300 0.019 0.000 0.860 225 V CB 1.960 33.796 31.823 0.022 0.000 0.991 225 V HN 0.410 nan 8.190 nan 0.000 0.427 226 V N 3.720 123.654 119.914 0.034 0.000 2.427 226 V HA 0.832 4.952 4.120 -0.000 0.000 0.286 226 V C 0.438 176.563 176.094 0.052 0.000 1.034 226 V CA -0.370 61.961 62.300 0.050 0.000 0.893 226 V CB 1.592 33.451 31.823 0.059 0.000 0.982 226 V HN 1.011 nan 8.190 nan 0.000 0.452 227 A N 4.546 127.409 122.820 0.071 0.000 2.337 227 A HA 0.855 5.175 4.320 -0.000 0.000 0.329 227 A C -1.171 176.485 177.584 0.120 0.000 1.146 227 A CA -0.478 51.602 52.037 0.071 0.000 0.800 227 A CB 1.131 20.166 19.000 0.058 0.000 1.220 227 A HN 0.813 nan 8.150 nan 0.000 0.472 228 F N 2.711 122.629 119.950 -0.054 0.000 2.482 228 F HA 0.656 5.183 4.527 -0.000 0.000 0.331 228 F C -0.945 174.819 175.800 -0.061 0.000 1.115 228 F CA -0.556 57.410 58.000 -0.057 0.000 0.955 228 F CB 1.710 40.642 39.000 -0.112 0.000 1.136 228 F HN 0.363 nan 8.300 nan 0.000 0.452 229 V N 5.484 125.094 119.914 -0.507 0.000 2.540 229 V HA 0.955 5.075 4.120 -0.000 0.000 0.302 229 V C 0.042 175.815 176.094 -0.536 0.000 1.035 229 V CA -0.025 62.079 62.300 -0.327 0.000 0.873 229 V CB 0.916 32.610 31.823 -0.215 0.000 0.992 229 V HN 1.234 nan 8.190 nan 0.000 0.428 230 G N 4.129 112.835 108.800 -0.156 0.000 2.353 230 G HA2 0.038 3.998 3.960 -0.000 0.000 0.424 230 G HA3 0.038 3.998 3.960 -0.000 0.000 0.424 230 G C -0.964 174.023 174.900 0.145 0.000 1.320 230 G CA -1.222 43.840 45.100 -0.064 0.000 0.995 230 G HN 0.652 nan 8.290 nan 0.000 0.580 231 R N -0.510 120.041 120.500 0.084 0.000 2.583 231 R HA 0.185 4.525 4.340 -0.000 0.000 0.274 231 R C 0.293 176.627 176.300 0.057 0.000 0.998 231 R CA 0.142 56.280 56.100 0.064 0.000 1.081 231 R CB 0.192 30.507 30.300 0.026 0.000 0.940 231 R HN 0.365 nan 8.270 nan 0.000 0.413 232 L N 4.062 125.299 121.223 0.022 0.000 2.387 232 L HA 0.173 4.513 4.340 -0.000 0.000 0.267 232 L C -0.074 176.776 176.870 -0.034 0.000 1.197 232 L CA -0.078 54.718 54.840 -0.073 0.000 1.070 232 L CB 0.034 42.120 42.059 0.045 0.000 1.349 232 L HN 0.478 nan 8.230 nan 0.000 0.422 233 Q N 2.047 121.710 119.800 -0.228 0.000 2.359 233 Q HA 0.384 4.724 4.340 -0.000 0.000 0.274 233 Q C -1.956 173.827 176.000 -0.361 0.000 1.074 233 Q CA -1.616 53.984 55.803 -0.337 0.000 0.810 233 Q CB 2.788 31.049 28.738 -0.795 0.000 1.342 233 Q HN -0.056 nan 8.270 nan 0.000 0.427 234 P HA -0.163 nan 4.420 nan 0.000 0.216 234 P C 0.614 177.866 177.300 -0.080 0.000 1.150 234 P CA 1.275 64.340 63.100 -0.057 0.000 0.843 234 P CB -0.122 31.555 31.700 -0.038 0.000 0.787 235 F N -0.892 119.072 119.950 0.023 0.000 2.449 235 F HA -0.016 4.511 4.527 -0.000 0.000 0.299 235 F C 1.365 177.317 175.800 0.253 0.000 1.092 235 F CA 0.857 58.911 58.000 0.090 0.000 1.446 235 F CB -1.006 38.033 39.000 0.066 0.000 1.084 235 F HN -0.206 nan 8.300 nan 0.000 0.567 236 K N 0.981 121.372 120.400 -0.015 0.000 2.374 236 K HA 0.204 4.524 4.320 -0.000 0.000 0.196 236 K C 1.409 178.131 176.600 0.202 0.000 1.023 236 K CA 0.621 56.987 56.287 0.132 0.000 1.103 236 K CB 0.039 32.568 32.500 0.048 0.000 0.848 236 K HN 0.460 nan 8.250 nan 0.000 0.528 237 G N 3.450 112.364 108.800 0.190 0.000 2.305 237 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.287 237 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.287 237 G C -1.230 173.559 174.900 -0.185 0.000 1.036 237 G CA 0.253 45.416 45.100 0.106 0.000 0.887 237 G HN 0.218 nan 8.290 nan 0.000 0.505 238 P HA -0.158 nan 4.420 nan 0.000 0.221 238 P C 2.010 178.987 177.300 -0.538 0.000 1.150 238 P CA 1.501 64.032 63.100 -0.948 0.000 0.800 238 P CB 0.054 30.836 31.700 -1.530 0.000 0.787 239 Q N 0.289 119.897 119.800 -0.321 0.000 2.234 239 Q HA -0.078 4.262 4.340 -0.000 0.000 0.206 239 Q C 1.873 177.840 176.000 -0.056 0.000 0.980 239 Q CA 1.495 57.277 55.803 -0.035 0.000 0.869 239 Q CB -1.719 27.107 28.738 0.146 0.000 0.912 239 Q HN 0.124 nan 8.270 nan 0.000 0.436 240 V N 1.349 121.186 119.914 -0.128 0.000 2.358 240 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 240 V C 2.434 178.381 176.094 -0.245 0.000 1.047 240 V CA 1.438 63.613 62.300 -0.207 0.000 1.035 240 V CB -0.744 30.826 31.823 -0.421 0.000 0.658 240 V HN 0.241 nan 8.190 nan 0.000 0.452 241 L N 0.121 121.179 121.223 -0.275 0.000 2.017 241 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 241 L C 2.183 179.013 176.870 -0.066 0.000 1.073 241 L CA 1.931 56.677 54.840 -0.156 0.000 0.745 241 L CB -0.558 41.418 42.059 -0.138 0.000 0.894 241 L HN 0.212 nan 8.230 nan 0.000 0.432 242 I N -0.631 119.890 120.570 -0.080 0.000 2.179 242 I HA -0.341 3.829 4.170 -0.000 0.000 0.242 242 I C 2.433 178.577 176.117 0.045 0.000 1.088 242 I CA 1.525 62.823 61.300 -0.003 0.000 1.357 242 I CB -0.340 37.680 38.000 0.033 0.000 1.051 242 I HN 0.236 nan 8.210 nan 0.000 0.409 243 K N 0.618 121.041 120.400 0.037 0.000 2.097 243 K HA -0.104 4.216 4.320 -0.000 0.000 0.205 243 K C 2.216 178.865 176.600 0.082 0.000 1.050 243 K CA 1.398 57.725 56.287 0.066 0.000 0.938 243 K CB -0.228 32.311 32.500 0.066 0.000 0.718 243 K HN 0.321 nan 8.250 nan 0.000 0.442 244 A N 0.747 123.609 122.820 0.071 0.000 1.929 244 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 244 A C 2.278 179.914 177.584 0.087 0.000 1.176 244 A CA 1.079 53.178 52.037 0.104 0.000 0.628 244 A CB -0.400 18.694 19.000 0.156 0.000 0.816 244 A HN 0.062 nan 8.150 nan 0.000 0.444 245 V N -0.183 119.787 119.914 0.093 0.000 2.427 245 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 245 V C 3.011 179.246 176.094 0.235 0.000 1.051 245 V CA 1.661 64.039 62.300 0.130 0.000 1.048 245 V CB -1.019 30.901 31.823 0.161 0.000 0.666 245 V HN 0.601 nan 8.190 nan 0.000 0.456 246 A N 0.195 123.131 122.820 0.195 0.000 1.877 246 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 246 A C 2.448 180.135 177.584 0.171 0.000 1.186 246 A CA 2.134 54.290 52.037 0.200 0.000 0.620 246 A CB -0.808 18.269 19.000 0.129 0.000 0.822 246 A HN 0.557 nan 8.150 nan 0.000 0.443 247 A N -0.289 122.602 122.820 0.117 0.000 1.902 247 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 247 A C 2.183 179.794 177.584 0.044 0.000 1.181 247 A CA 1.545 53.635 52.037 0.089 0.000 0.623 247 A CB -0.667 18.387 19.000 0.090 0.000 0.818 247 A HN 0.479 nan 8.150 nan 0.000 0.443 248 L N -2.063 119.150 121.223 -0.016 0.000 2.042 248 L HA -0.196 4.143 4.340 -0.000 0.000 0.210 248 L C 2.369 179.115 176.870 -0.207 0.000 1.076 248 L CA 1.470 56.214 54.840 -0.160 0.000 0.749 248 L CB -0.484 41.398 42.059 -0.294 0.000 0.893 248 L HN 0.443 nan 8.230 nan 0.000 0.432 249 F N -0.548 119.413 119.950 0.019 0.000 2.558 249 F HA -0.126 4.401 4.527 -0.000 0.000 0.298 249 F C 2.141 177.952 175.800 0.020 0.000 1.119 249 F CA 0.462 58.471 58.000 0.016 0.000 1.451 249 F CB -0.154 38.854 39.000 0.014 0.000 1.091 249 F HN 0.100 nan 8.300 nan 0.000 0.563 250 D N 0.122 120.618 120.400 0.161 0.000 2.149 250 D HA -0.072 4.568 4.640 -0.000 0.000 0.201 250 D C 2.227 178.570 176.300 0.071 0.000 0.972 250 D CA 0.927 54.991 54.000 0.106 0.000 0.835 250 D CB -0.142 40.712 40.800 0.090 0.000 0.966 250 D HN 0.283 nan 8.370 nan 0.000 0.476 251 R N -0.074 120.451 120.500 0.041 0.000 2.073 251 R HA -0.020 4.320 4.340 -0.000 0.000 0.229 251 R C 0.177 176.484 176.300 0.013 0.000 1.120 251 R CA 0.859 56.970 56.100 0.017 0.000 0.967 251 R CB 0.207 30.499 30.300 -0.012 0.000 0.862 251 R HN -0.013 nan 8.270 nan 0.000 0.436 252 D N -1.091 119.311 120.400 0.004 0.000 2.323 252 D HA 0.170 4.810 4.640 -0.000 0.000 0.242 252 D C -2.290 174.059 176.300 0.083 0.000 1.347 252 D CA -2.148 51.862 54.000 0.016 0.000 0.988 252 D CB 1.652 42.434 40.800 -0.029 0.000 1.314 252 D HN -0.247 nan 8.370 nan 0.000 0.564 253 P HA 0.014 nan 4.420 nan 0.000 0.222 253 P C -0.211 177.258 177.300 0.281 0.000 1.147 253 P CA 0.873 64.116 63.100 0.239 0.000 0.790 253 P CB 0.207 31.985 31.700 0.130 0.000 0.780 254 D N -2.035 118.473 120.400 0.179 0.000 2.643 254 D HA 0.067 4.707 4.640 -0.000 0.000 0.244 254 D C 0.318 176.700 176.300 0.136 0.000 1.257 254 D CA -0.565 53.533 54.000 0.163 0.000 0.831 254 D CB -0.596 40.261 40.800 0.094 0.000 1.043 254 D HN -0.026 nan 8.370 nan 0.000 0.488 255 R N 1.055 121.626 120.500 0.118 0.000 2.585 255 R HA 0.001 4.341 4.340 -0.000 0.000 0.275 255 R C -0.364 175.980 176.300 0.073 0.000 1.018 255 R CA -0.078 56.014 56.100 -0.013 0.000 1.072 255 R CB 0.177 30.310 30.300 -0.280 0.000 0.953 255 R HN 0.136 nan 8.270 nan 0.000 0.419 256 N N 4.753 123.455 118.700 0.003 0.000 2.508 256 N HA 0.145 4.885 4.740 -0.000 0.000 0.253 256 N C -1.241 174.263 175.510 -0.010 0.000 1.145 256 N CA -0.206 52.841 53.050 -0.006 0.000 0.973 256 N CB 0.345 38.771 38.487 -0.102 0.000 1.305 256 N HN 0.347 nan 8.380 nan 0.000 0.506 257 L N 2.883 124.160 121.223 0.090 0.000 2.526 257 L HA 0.511 4.851 4.340 -0.000 0.000 0.263 257 L C -1.398 175.584 176.870 0.185 0.000 0.943 257 L CA -0.726 54.172 54.840 0.096 0.000 0.859 257 L CB 1.609 43.678 42.059 0.017 0.000 1.313 257 L HN 0.457 nan 8.230 nan 0.000 0.406 258 R N 3.130 123.687 120.500 0.095 0.000 2.750 258 R HA 0.717 5.057 4.340 -0.000 0.000 0.281 258 R C -1.310 175.018 176.300 0.048 0.000 0.972 258 R CA -0.750 55.394 56.100 0.073 0.000 0.912 258 R CB 2.614 32.933 30.300 0.033 0.000 1.187 258 R HN 0.343 nan 8.270 nan 0.000 0.464 259 V N 3.942 123.867 119.914 0.019 0.000 2.555 259 V HA 0.541 4.661 4.120 -0.000 0.000 0.302 259 V C 0.324 176.373 176.094 -0.076 0.000 1.038 259 V CA -0.902 61.386 62.300 -0.020 0.000 0.887 259 V CB 2.029 33.831 31.823 -0.034 0.000 0.991 259 V HN 0.659 nan 8.190 nan 0.000 0.434 260 I N 2.730 123.263 120.570 -0.063 0.000 2.433 260 I HA 0.685 4.855 4.170 -0.000 0.000 0.292 260 I C -0.995 175.066 176.117 -0.093 0.000 1.001 260 I CA -0.530 60.717 61.300 -0.088 0.000 1.119 260 I CB 1.758 39.734 38.000 -0.040 0.000 1.289 260 I HN 0.431 nan 8.210 nan 0.000 0.438 261 I N 6.383 126.841 120.570 -0.187 0.000 2.406 261 I HA 0.417 4.587 4.170 -0.000 0.000 0.290 261 I C -0.869 175.263 176.117 0.025 0.000 0.999 261 I CA -0.598 60.634 61.300 -0.113 0.000 1.124 261 I CB 1.904 39.642 38.000 -0.437 0.000 1.289 261 I HN 0.711 nan 8.210 nan 0.000 0.441 262 C N 5.290 124.667 119.300 0.128 0.000 2.620 262 C HA 0.856 5.316 4.460 -0.000 0.000 0.356 262 C C -0.230 174.814 174.990 0.091 0.000 1.082 262 C CA -0.124 58.944 59.018 0.084 0.000 1.293 262 C CB 0.138 27.876 27.740 -0.002 0.000 1.836 262 C HN 1.048 nan 8.230 nan 0.000 0.453 263 G N 3.837 112.699 108.800 0.104 0.000 1.853 263 G HA2 0.523 4.483 3.960 -0.000 0.000 0.225 263 G HA3 0.523 4.483 3.960 -0.000 0.000 0.225 263 G C -0.616 174.357 174.900 0.123 0.000 1.960 263 G CA 0.299 45.494 45.100 0.159 0.000 0.909 263 G HN 1.416 nan 8.290 nan 0.000 0.599 264 G N 2.435 111.293 108.800 0.097 0.000 2.612 264 G HA2 0.904 4.864 3.960 -0.000 0.000 0.298 264 G HA3 0.904 4.864 3.960 -0.000 0.000 0.298 264 G C -2.710 172.230 174.900 0.067 0.000 1.336 264 G CA -1.446 43.698 45.100 0.073 0.000 0.953 264 G HN 0.444 nan 8.290 nan 0.000 0.482 275 Y N 1.752 121.974 120.300 -0.130 0.000 2.395 275 Y HA 0.453 5.003 4.550 -0.000 0.000 0.293 275 Y C 2.785 178.675 175.900 -0.017 0.000 1.123 275 Y CA 1.031 59.111 58.100 -0.033 0.000 1.227 275 Y CB -0.184 38.321 38.460 0.075 0.000 1.012 275 Y HN 0.265 nan 8.280 nan 0.000 0.552 276 R N -0.707 119.600 120.500 -0.322 0.000 2.096 276 R HA -0.191 4.149 4.340 -0.000 0.000 0.235 276 R C 2.145 178.418 176.300 -0.046 0.000 1.127 276 R CA 1.316 57.245 56.100 -0.285 0.000 0.968 276 R CB -0.361 29.608 30.300 -0.552 0.000 0.861 276 R HN 0.382 nan 8.270 nan 0.000 0.440 277 H N 0.469 119.465 119.070 -0.124 0.000 2.326 277 H HA -0.134 4.422 4.556 -0.000 0.000 0.301 277 H C 2.003 177.310 175.328 -0.037 0.000 1.081 277 H CA 1.965 57.962 56.048 -0.084 0.000 1.334 277 H CB -0.132 29.559 29.762 -0.119 0.000 1.385 277 H HN 0.240 nan 8.280 nan 0.000 0.504 278 M N 0.098 119.780 119.600 0.138 0.000 2.108 278 M HA -0.174 4.305 4.480 -0.000 0.000 0.261 278 M C 2.458 178.827 176.300 0.114 0.000 1.066 278 M CA 1.858 57.227 55.300 0.116 0.000 1.107 278 M CB -0.187 32.484 32.600 0.118 0.000 1.356 278 M HN 0.266 nan 8.290 nan 0.000 0.406 279 A N 1.057 123.965 122.820 0.146 0.000 1.902 279 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 279 A C 1.896 179.516 177.584 0.060 0.000 1.181 279 A CA 1.990 54.107 52.037 0.132 0.000 0.623 279 A CB -0.971 18.167 19.000 0.231 0.000 0.818 279 A HN 0.824 nan 8.150 nan 0.000 0.443 280 E N -0.385 119.824 120.200 0.015 0.000 2.152 280 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 280 E C 1.783 178.366 176.600 -0.028 0.000 0.983 280 E CA 1.135 57.512 56.400 -0.039 0.000 0.818 280 E CB -0.434 29.198 29.700 -0.113 0.000 0.758 280 E HN 0.710 nan 8.360 nan 0.000 0.467 281 E N 0.665 120.866 120.200 0.001 0.000 2.160 281 E HA -0.109 4.241 4.350 -0.000 0.000 0.195 281 E C 1.816 178.435 176.600 0.032 0.000 0.991 281 E CA 0.847 57.267 56.400 0.032 0.000 0.810 281 E CB 0.056 29.805 29.700 0.081 0.000 0.742 281 E HN 0.328 nan 8.360 nan 0.000 0.466 282 L N -1.297 119.949 121.223 0.038 0.000 2.607 282 L HA 0.229 4.569 4.340 -0.000 0.000 0.228 282 L C 1.256 178.141 176.870 0.026 0.000 1.123 282 L CA 0.331 55.197 54.840 0.043 0.000 0.890 282 L CB 0.608 42.705 42.059 0.063 0.000 1.103 282 L HN 0.324 nan 8.230 nan 0.000 0.468 283 G N 0.485 109.287 108.800 0.003 0.000 2.143 283 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.249 283 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.249 283 G C 0.626 175.487 174.900 -0.065 0.000 0.981 283 G CA 0.392 45.477 45.100 -0.025 0.000 0.665 283 G HN 0.302 nan 8.290 nan 0.000 0.528 284 V N -2.348 117.537 119.914 -0.047 0.000 3.214 284 V HA 0.468 4.588 4.120 -0.000 0.000 0.330 284 V C 1.749 177.802 176.094 -0.069 0.000 1.403 284 V CA 1.009 63.249 62.300 -0.100 0.000 1.143 284 V CB 0.245 32.050 31.823 -0.029 0.000 1.098 284 V HN 0.328 nan 8.190 nan 0.000 0.463 285 E N 1.681 121.861 120.200 -0.032 0.000 2.097 285 E HA -0.238 4.112 4.350 -0.000 0.000 0.196 285 E C 1.756 178.348 176.600 -0.013 0.000 1.000 285 E CA 1.753 58.160 56.400 0.011 0.000 0.804 285 E CB -0.447 29.253 29.700 0.000 0.000 0.740 285 E HN 0.526 nan 8.360 nan 0.000 0.454 286 K N -0.036 120.326 120.400 -0.064 0.000 2.432 286 K HA 0.088 4.408 4.320 -0.000 0.000 0.196 286 K C 1.442 177.991 176.600 -0.086 0.000 1.038 286 K CA 0.525 56.771 56.287 -0.067 0.000 0.986 286 K CB 0.353 32.804 32.500 -0.082 0.000 0.782 286 K HN 0.020 nan 8.250 nan 0.000 0.485 287 R N -0.241 120.181 120.500 -0.130 0.000 2.334 287 R HA 0.259 4.599 4.340 -0.000 0.000 0.212 287 R C 0.171 176.443 176.300 -0.046 0.000 0.897 287 R CA 0.172 56.209 56.100 -0.106 0.000 1.056 287 R CB 0.457 30.621 30.300 -0.227 0.000 1.046 287 R HN 0.127 nan 8.270 nan 0.000 0.513 288 I N 1.288 121.823 120.570 -0.058 0.000 2.441 288 I HA 0.358 4.528 4.170 -0.000 0.000 0.295 288 I C -0.220 175.831 176.117 -0.111 0.000 0.994 288 I CA -0.944 60.287 61.300 -0.116 0.000 1.144 288 I CB 1.960 39.864 38.000 -0.159 0.000 1.314 288 I HN -0.234 nan 8.210 nan 0.000 0.445 289 R N 5.119 125.502 120.500 -0.195 0.000 2.502 289 R HA 0.513 4.853 4.340 -0.000 0.000 0.300 289 R C -1.798 174.389 176.300 -0.188 0.000 0.984 289 R CA -0.449 55.601 56.100 -0.083 0.000 0.882 289 R CB 1.235 31.515 30.300 -0.034 0.000 1.180 289 R HN 0.361 nan 8.270 nan 0.000 0.444 290 F N 5.308 125.263 119.950 0.008 0.000 2.385 290 F HA 0.385 4.911 4.527 -0.000 0.000 0.360 290 F C -0.096 175.711 175.800 0.012 0.000 1.122 290 F CA -0.548 57.458 58.000 0.011 0.000 1.090 290 F CB 1.052 40.059 39.000 0.012 0.000 1.150 290 F HN 0.149 nan 8.300 nan 0.000 0.472 291 L N 3.385 124.693 121.223 0.141 0.000 2.322 291 L HA 0.396 4.736 4.340 -0.000 0.000 0.279 291 L C -0.199 176.728 176.870 0.095 0.000 1.036 291 L CA -1.125 53.770 54.840 0.091 0.000 0.807 291 L CB 1.054 43.135 42.059 0.038 0.000 1.226 291 L HN 0.435 nan 8.230 nan 0.000 0.433 292 D N 3.306 123.748 120.400 0.070 0.000 2.400 292 D HA 0.122 4.762 4.640 -0.000 0.000 0.238 292 D C -2.102 174.222 176.300 0.040 0.000 1.157 292 D CA -0.719 53.313 54.000 0.055 0.000 0.889 292 D CB 0.523 41.346 40.800 0.037 0.000 1.199 292 D HN 0.254 nan 8.370 nan 0.000 0.436 293 P HA 0.161 nan 4.420 nan 0.000 0.275 293 P C -0.385 176.924 177.300 0.015 0.000 1.228 293 P CA -0.238 62.877 63.100 0.025 0.000 0.786 293 P CB 0.841 32.557 31.700 0.027 0.000 0.927 294 R N 1.053 121.559 120.500 0.010 0.000 2.774 294 R HA 0.692 5.032 4.340 -0.000 0.000 0.272 294 R C -3.055 173.256 176.300 0.019 0.000 1.000 294 R CA -2.508 53.598 56.100 0.010 0.000 0.906 294 R CB 0.229 30.532 30.300 0.005 0.000 1.227 294 R HN 0.137 nan 8.270 nan 0.000 0.468 295 P HA 0.161 nan 4.420 nan 0.000 0.270 295 P C -2.099 175.229 177.300 0.046 0.000 1.223 295 P CA -1.360 61.755 63.100 0.024 0.000 0.785 295 P CB 0.195 31.899 31.700 0.006 0.000 0.923 296 P HA -0.242 nan 4.420 nan 0.000 0.216 296 P C 1.643 178.931 177.300 -0.021 0.000 1.154 296 P CA 2.079 65.245 63.100 0.110 0.000 0.865 296 P CB -0.381 31.363 31.700 0.073 0.000 0.789 297 S N -0.866 114.809 115.700 -0.042 0.000 2.440 297 S HA -0.202 4.268 4.470 -0.000 0.000 0.238 297 S C 1.752 176.341 174.600 -0.019 0.000 1.010 297 S CA 1.408 59.575 58.200 -0.054 0.000 0.972 297 S CB -0.918 62.258 63.200 -0.039 0.000 0.774 297 S HN 0.258 nan 8.310 nan 0.000 0.501 298 E N 0.080 120.283 120.200 0.005 0.000 2.307 298 E HA 0.282 4.632 4.350 -0.000 0.000 0.195 298 E C 1.923 178.536 176.600 0.021 0.000 0.975 298 E CA 0.052 56.459 56.400 0.012 0.000 0.878 298 E CB -0.113 29.591 29.700 0.006 0.000 0.845 298 E HN 0.380 nan 8.360 nan 0.000 0.488 299 L N 1.235 122.486 121.223 0.046 0.000 2.083 299 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 299 L C 2.188 179.089 176.870 0.051 0.000 1.083 299 L CA 0.941 55.783 54.840 0.004 0.000 0.752 299 L CB -0.221 41.875 42.059 0.063 0.000 0.899 299 L HN 0.093 nan 8.230 nan 0.000 0.433 300 V N 0.210 120.264 119.914 0.233 0.000 2.313 300 V HA -0.399 3.721 4.120 -0.000 0.000 0.253 300 V C 2.768 178.980 176.094 0.198 0.000 1.070 300 V CA 2.008 64.501 62.300 0.321 0.000 1.057 300 V CB -1.480 30.431 31.823 0.147 0.000 0.653 300 V HN 0.584 nan 8.190 nan 0.000 0.450 301 A N -0.415 122.460 122.820 0.092 0.000 1.972 301 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 301 A C 2.375 179.985 177.584 0.044 0.000 1.169 301 A CA 1.979 54.053 52.037 0.063 0.000 0.635 301 A CB -0.600 18.420 19.000 0.034 0.000 0.810 301 A HN 0.385 nan 8.150 nan 0.000 0.446 302 V N -1.428 118.474 119.914 -0.020 0.000 2.358 302 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 302 V C 2.359 178.461 176.094 0.013 0.000 1.047 302 V CA 1.738 63.998 62.300 -0.067 0.000 1.035 302 V CB -1.036 30.675 31.823 -0.187 0.000 0.658 302 V HN 0.619 nan 8.190 nan 0.000 0.452 303 Y N 0.880 121.218 120.300 0.062 0.000 2.145 303 Y HA -0.152 4.398 4.550 -0.000 0.000 0.286 303 Y C 2.699 178.631 175.900 0.054 0.000 1.145 303 Y CA 1.282 59.413 58.100 0.050 0.000 1.148 303 Y CB -0.676 37.829 38.460 0.074 0.000 0.981 303 Y HN 0.149 nan 8.280 nan 0.000 0.507 304 R N -0.489 120.152 120.500 0.234 0.000 2.075 304 R HA -0.081 4.259 4.340 -0.000 0.000 0.232 304 R C 2.463 178.824 176.300 0.102 0.000 1.126 304 R CA 1.041 57.228 56.100 0.145 0.000 0.963 304 R CB -0.578 29.794 30.300 0.120 0.000 0.858 304 R HN 0.285 nan 8.270 nan 0.000 0.435 305 A N 1.452 124.325 122.820 0.088 0.000 2.019 305 A HA 0.042 4.362 4.320 -0.000 0.000 0.219 305 A C 1.198 178.817 177.584 0.059 0.000 1.164 305 A CA 1.107 53.181 52.037 0.060 0.000 0.644 305 A CB -0.293 18.733 19.000 0.043 0.000 0.805 305 A HN 0.357 nan 8.150 nan 0.000 0.449 306 A N 0.041 122.908 122.820 0.078 0.000 2.388 306 A HA 0.395 4.715 4.320 -0.000 0.000 0.257 306 A C 0.488 178.109 177.584 0.060 0.000 1.095 306 A CA -0.041 52.039 52.037 0.072 0.000 0.791 306 A CB 0.271 19.332 19.000 0.101 0.000 1.029 306 A HN 0.360 nan 8.150 nan 0.000 0.489 307 D N 0.789 121.214 120.400 0.042 0.000 2.249 307 D HA 0.129 4.769 4.640 -0.000 0.000 0.205 307 D C 0.101 176.419 176.300 0.030 0.000 0.962 307 D CA 1.434 55.451 54.000 0.030 0.000 0.860 307 D CB 0.240 41.048 40.800 0.014 0.000 0.955 307 D HN 0.540 nan 8.370 nan 0.000 0.505 308 I N 0.685 121.279 120.570 0.040 0.000 2.644 308 I HA 0.138 4.308 4.170 -0.000 0.000 0.291 308 I C -0.999 175.158 176.117 0.068 0.000 1.180 308 I CA -0.761 60.565 61.300 0.043 0.000 1.040 308 I CB 3.327 41.349 38.000 0.036 0.000 1.255 308 I HN -0.407 nan 8.210 nan 0.000 0.422 309 V N 4.817 124.772 119.914 0.069 0.000 2.370 309 V HA 0.615 4.735 4.120 -0.000 0.000 0.279 309 V C 0.357 176.508 176.094 0.095 0.000 1.029 309 V CA -0.442 61.908 62.300 0.084 0.000 0.870 309 V CB 1.503 33.380 31.823 0.089 0.000 0.984 309 V HN 0.802 nan 8.190 nan 0.000 0.451 310 A N 4.654 127.554 122.820 0.135 0.000 2.274 310 A HA 0.687 5.007 4.320 -0.000 0.000 0.309 310 A C -0.272 177.407 177.584 0.158 0.000 1.226 310 A CA -0.403 51.775 52.037 0.236 0.000 0.853 310 A CB 1.307 20.482 19.000 0.291 0.000 1.146 310 A HN 1.299 nan 8.150 nan 0.000 0.518 311 V N 3.900 123.935 119.914 0.202 0.000 2.315 311 V HA 0.501 4.621 4.120 -0.000 0.000 0.265 311 V C -2.665 173.529 176.094 0.167 0.000 1.019 311 V CA -1.813 60.534 62.300 0.078 0.000 0.824 311 V CB 1.500 33.298 31.823 -0.042 0.000 1.072 311 V HN 0.615 nan 8.190 nan 0.000 0.448 312 P HA 0.265 nan 4.420 nan 0.000 0.228 312 P C 0.305 177.592 177.300 -0.021 0.000 1.764 312 P CA 0.103 63.053 63.100 -0.250 0.000 0.929 312 P CB -0.241 30.936 31.700 -0.871 0.000 1.675 313 S N -0.135 115.633 115.700 0.112 0.000 2.563 313 S HA 0.107 4.577 4.470 -0.000 0.000 0.284 313 S C 0.697 175.384 174.600 0.145 0.000 1.331 313 S CA 0.098 58.400 58.200 0.170 0.000 1.047 313 S CB 0.140 63.446 63.200 0.176 0.000 0.859 313 S HN 0.163 nan 8.310 nan 0.000 0.514 314 F N 1.216 121.250 119.950 0.140 0.000 2.505 314 F HA 0.220 4.747 4.527 -0.000 0.000 0.289 314 F C 0.998 176.874 175.800 0.126 0.000 1.101 314 F CA 0.102 58.123 58.000 0.035 0.000 1.446 314 F CB 0.228 39.169 39.000 -0.098 0.000 1.123 314 F HN 0.457 nan 8.300 nan 0.000 0.564 315 N N -0.771 118.130 118.700 0.335 0.000 2.262 315 N HA 0.536 5.276 4.740 -0.000 0.000 0.295 315 N C -1.107 174.504 175.510 0.169 0.000 1.161 315 N CA -0.524 52.643 53.050 0.195 0.000 0.767 315 N CB 2.503 41.044 38.487 0.090 0.000 1.499 315 N HN -0.098 nan 8.380 nan 0.000 0.476 316 E N -0.506 119.756 120.200 0.102 0.000 1.975 316 E HA 0.483 4.833 4.350 -0.000 0.000 0.240 316 E C -1.532 175.105 176.600 0.061 0.000 1.652 316 E CA -0.359 56.080 56.400 0.065 0.000 0.996 316 E CB 0.466 30.206 29.700 0.067 0.000 1.487 316 E HN 0.415 nan 8.360 nan 0.000 0.533 317 S N -1.640 114.094 115.700 0.056 0.000 4.185 317 S HA 0.328 4.798 4.470 -0.000 0.000 0.278 317 S C 0.645 175.370 174.600 0.209 0.000 1.080 317 S CA -0.119 58.097 58.200 0.027 0.000 1.356 317 S CB -0.869 62.212 63.200 -0.200 0.000 1.483 317 S HN 0.565 nan 8.310 nan 0.000 0.715 318 F N 1.776 121.734 119.950 0.014 0.000 2.043 318 F HA 0.298 4.825 4.527 -0.000 0.000 0.297 318 F C 1.362 177.145 175.800 -0.028 0.000 1.121 318 F CA 1.126 59.113 58.000 -0.021 0.000 1.199 318 F CB -1.338 37.621 39.000 -0.068 0.000 0.968 318 F HN 0.862 nan 8.300 nan 0.000 0.478 319 G N 1.141 109.681 108.800 -0.433 0.000 2.970 319 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.249 319 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.249 319 G C 0.223 174.989 174.900 -0.224 0.000 1.113 319 G CA -0.001 44.942 45.100 -0.261 0.000 1.119 319 G HN 0.586 nan 8.290 nan 0.000 0.552 320 L N 0.607 121.620 121.223 -0.349 0.000 2.081 320 L HA -0.071 4.269 4.340 -0.000 0.000 0.212 320 L C 2.842 179.655 176.870 -0.096 0.000 1.080 320 L CA 2.717 57.505 54.840 -0.087 0.000 0.754 320 L CB -0.716 41.345 42.059 0.004 0.000 0.893 320 L HN 0.492 nan 8.230 nan 0.000 0.433 321 V N -0.445 119.398 119.914 -0.118 0.000 2.343 321 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 321 V C 2.756 178.758 176.094 -0.154 0.000 1.051 321 V CA 1.518 63.757 62.300 -0.102 0.000 1.036 321 V CB -1.166 30.596 31.823 -0.103 0.000 0.654 321 V HN 0.585 nan 8.190 nan 0.000 0.451 322 A N -0.294 122.453 122.820 -0.121 0.000 1.908 322 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 322 A C 2.225 179.753 177.584 -0.094 0.000 1.181 322 A CA 2.441 54.424 52.037 -0.089 0.000 0.627 322 A CB -0.492 18.483 19.000 -0.041 0.000 0.818 322 A HN 0.527 nan 8.150 nan 0.000 0.445 323 M N -0.879 118.650 119.600 -0.118 0.000 2.086 323 M HA -0.178 4.302 4.480 -0.000 0.000 0.261 323 M C 2.034 178.277 176.300 -0.095 0.000 1.067 323 M CA 1.927 57.178 55.300 -0.083 0.000 1.116 323 M CB -0.606 31.780 32.600 -0.357 0.000 1.348 323 M HN 0.453 nan 8.290 nan 0.000 0.407 324 E N 0.742 120.775 120.200 -0.278 0.000 2.110 324 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 324 E C 2.175 178.275 176.600 -0.833 0.000 0.988 324 E CA 1.282 57.347 56.400 -0.558 0.000 0.804 324 E CB -0.248 28.916 29.700 -0.892 0.000 0.745 324 E HN 0.531 nan 8.360 nan 0.000 0.458 325 A N 1.000 123.262 122.820 -0.931 0.000 1.902 325 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 325 A C 2.122 179.525 177.584 -0.301 0.000 1.181 325 A CA 1.572 53.127 52.037 -0.803 0.000 0.623 325 A CB -0.457 18.278 19.000 -0.442 0.000 0.818 325 A HN 0.108 nan 8.150 nan 0.000 0.443 326 Q N -0.472 119.238 119.800 -0.150 0.000 2.061 326 Q HA -0.098 4.242 4.340 -0.000 0.000 0.204 326 Q C 2.219 178.217 176.000 -0.003 0.000 0.984 326 Q CA 2.085 57.883 55.803 -0.009 0.000 0.846 326 Q CB -0.505 28.313 28.738 0.134 0.000 0.902 326 Q HN 0.644 nan 8.270 nan 0.000 0.421 327 A N -0.289 122.528 122.820 -0.004 0.000 2.019 327 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 327 A C 1.999 179.609 177.584 0.044 0.000 1.164 327 A CA 1.696 53.755 52.037 0.038 0.000 0.644 327 A CB -0.590 18.468 19.000 0.097 0.000 0.805 327 A HN 0.441 nan 8.150 nan 0.000 0.449 328 S N -1.543 114.161 115.700 0.008 0.000 2.605 328 S HA 0.393 4.863 4.470 -0.000 0.000 0.217 328 S C 1.169 175.794 174.600 0.042 0.000 0.958 328 S CA 0.931 59.168 58.200 0.062 0.000 0.919 328 S CB -0.548 62.703 63.200 0.086 0.000 0.780 328 S HN 1.942 nan 8.310 nan 0.000 0.507 329 G N 0.509 109.319 108.800 0.016 0.000 2.182 329 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.248 329 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.248 329 G C -0.047 174.862 174.900 0.014 0.000 1.042 329 G CA 0.160 45.270 45.100 0.017 0.000 0.775 329 G HN 0.675 nan 8.290 nan 0.000 0.501 330 T N 2.281 116.835 114.554 -0.001 0.000 2.840 330 T HA 0.593 4.943 4.350 -0.000 0.000 0.287 330 T C -2.346 172.348 174.700 -0.009 0.000 0.991 330 T CA -1.018 61.086 62.100 0.006 0.000 0.964 330 T CB 3.061 71.944 68.868 0.026 0.000 0.954 330 T HN 0.136 nan 8.240 nan 0.000 0.438 331 P HA 0.246 nan 4.420 nan 0.000 0.269 331 P C -0.753 176.542 177.300 -0.008 0.000 1.215 331 P CA -0.316 62.776 63.100 -0.014 0.000 0.780 331 P CB 0.692 32.380 31.700 -0.019 0.000 0.898 332 V N 3.986 123.891 119.914 -0.015 0.000 2.513 332 V HA 0.382 4.502 4.120 -0.000 0.000 0.299 332 V C 0.474 176.562 176.094 -0.010 0.000 1.035 332 V CA -0.657 61.642 62.300 -0.001 0.000 0.889 332 V CB 1.633 33.454 31.823 -0.004 0.000 0.988 332 V HN 0.359 nan 8.190 nan 0.000 0.440 333 I N 4.104 124.688 120.570 0.024 0.000 2.354 333 I HA 0.698 4.868 4.170 -0.000 0.000 0.286 333 I C 0.235 176.396 176.117 0.073 0.000 1.007 333 I CA -0.264 61.014 61.300 -0.037 0.000 1.167 333 I CB 1.484 39.435 38.000 -0.083 0.000 1.320 333 I HN 0.696 nan 8.210 nan 0.000 0.458 334 A N 4.872 127.692 122.820 -0.001 0.000 2.356 334 A HA 0.898 5.218 4.320 -0.000 0.000 0.323 334 A C -0.100 177.545 177.584 0.101 0.000 1.119 334 A CA -0.638 51.484 52.037 0.142 0.000 0.790 334 A CB 1.389 20.429 19.000 0.066 0.000 1.273 334 A HN 0.746 nan 8.150 nan 0.000 0.452 335 A N 0.806 123.798 122.820 0.287 0.000 2.462 335 A HA 0.443 4.763 4.320 -0.000 0.000 0.243 335 A C 0.666 178.276 177.584 0.043 0.000 1.076 335 A CA -0.272 51.862 52.037 0.161 0.000 0.773 335 A CB -0.068 19.038 19.000 0.176 0.000 1.010 335 A HN 0.818 nan 8.150 nan 0.000 0.493 336 R N 2.083 122.571 120.500 -0.019 0.000 2.878 336 R HA 0.377 4.717 4.340 -0.000 0.000 0.239 336 R C -1.343 174.982 176.300 0.043 0.000 1.515 336 R CA 0.193 56.293 56.100 -0.001 0.000 1.210 336 R CB -0.561 29.723 30.300 -0.026 0.000 1.209 336 R HN 0.474 nan 8.270 nan 0.000 0.610 337 V N 2.558 122.513 119.914 0.068 0.000 2.969 337 V HA 0.409 4.529 4.120 -0.000 0.000 0.304 337 V C 0.850 176.998 176.094 0.089 0.000 1.192 337 V CA -0.148 62.212 62.300 0.099 0.000 0.962 337 V CB 1.789 33.699 31.823 0.145 0.000 1.045 337 V HN 0.935 nan 8.190 nan 0.000 0.428 338 G N 3.770 112.624 108.800 0.090 0.000 2.672 338 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.324 338 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.324 338 G C 1.115 176.065 174.900 0.083 0.000 1.286 338 G CA 0.883 46.033 45.100 0.084 0.000 1.004 338 G HN 1.871 nan 8.290 nan 0.000 0.548 339 G N -0.402 108.451 108.800 0.088 0.000 2.813 339 G HA2 0.337 4.297 3.960 -0.000 0.000 0.209 339 G HA3 0.337 4.297 3.960 -0.000 0.000 0.209 339 G C 1.845 176.792 174.900 0.079 0.000 1.150 339 G CA 0.971 46.132 45.100 0.100 0.000 0.785 339 G HN 0.634 nan 8.290 nan 0.000 0.535 340 L N 0.724 121.984 121.223 0.061 0.000 2.043 340 L HA -0.080 4.260 4.340 -0.000 0.000 0.212 340 L C -0.097 176.803 176.870 0.049 0.000 1.075 340 L CA 1.233 56.102 54.840 0.049 0.000 0.752 340 L CB -1.075 41.013 42.059 0.048 0.000 0.891 340 L HN 0.135 nan 8.230 nan 0.000 0.432 341 P HA -0.109 nan 4.420 nan 0.000 0.225 341 P C 1.502 178.838 177.300 0.059 0.000 1.148 341 P CA 1.336 64.458 63.100 0.036 0.000 0.779 341 P CB 0.108 31.826 31.700 0.031 0.000 0.780 342 I N -1.186 119.436 120.570 0.088 0.000 2.731 342 I HA -0.013 4.157 4.170 -0.000 0.000 0.260 342 I C 2.299 178.545 176.117 0.215 0.000 1.138 342 I CA 0.662 62.041 61.300 0.132 0.000 1.461 342 I CB -0.613 37.455 38.000 0.113 0.000 1.128 342 I HN -0.153 nan 8.210 nan 0.000 0.438 343 A N 0.389 123.304 122.820 0.158 0.000 1.933 343 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 343 A C 1.200 178.977 177.584 0.322 0.000 1.175 343 A CA 1.072 53.219 52.037 0.184 0.000 0.628 343 A CB -0.505 18.509 19.000 0.023 0.000 0.814 343 A HN 0.159 nan 8.150 nan 0.000 0.444 344 V N -0.338 119.658 119.914 0.136 0.000 2.435 344 V HA 0.569 4.689 4.120 -0.000 0.000 0.290 344 V C 0.279 176.314 176.094 -0.098 0.000 1.030 344 V CA -0.447 61.858 62.300 0.008 0.000 0.881 344 V CB 1.256 33.072 31.823 -0.012 0.000 0.983 344 V HN 0.435 nan 8.190 nan 0.000 0.445 345 A N 3.622 126.253 122.820 -0.314 0.000 2.666 345 A HA 0.351 4.671 4.320 -0.000 0.000 0.312 345 A C 0.381 177.868 177.584 -0.162 0.000 1.471 345 A CA -0.266 51.611 52.037 -0.267 0.000 1.134 345 A CB -0.393 18.354 19.000 -0.423 0.000 1.129 345 A HN 0.924 nan 8.150 nan 0.000 0.539 346 E N 1.759 121.898 120.200 -0.102 0.000 2.708 346 E HA 0.162 4.512 4.350 -0.000 0.000 0.260 346 E C 1.468 178.017 176.600 -0.086 0.000 0.937 346 E CA 1.324 57.671 56.400 -0.088 0.000 0.953 346 E CB 0.111 29.770 29.700 -0.069 0.000 0.915 346 E HN 1.309 nan 8.360 nan 0.000 0.487 347 G N 3.856 112.604 108.800 -0.086 0.000 2.257 347 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.267 347 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.267 347 G C 0.923 175.779 174.900 -0.074 0.000 0.984 347 G CA 0.786 45.841 45.100 -0.076 0.000 0.626 347 G HN 0.619 nan 8.290 nan 0.000 0.540 348 E N -1.065 119.081 120.200 -0.090 0.000 2.306 348 E HA 0.227 4.577 4.350 -0.000 0.000 0.201 348 E C 2.384 178.927 176.600 -0.095 0.000 0.874 348 E CA 1.629 57.976 56.400 -0.089 0.000 0.972 348 E CB 0.325 29.966 29.700 -0.098 0.000 0.957 348 E HN 0.646 nan 8.360 nan 0.000 0.492 349 T N -2.712 111.767 114.554 -0.126 0.000 3.091 349 T HA 0.614 4.964 4.350 -0.000 0.000 0.277 349 T C 0.597 175.250 174.700 -0.079 0.000 0.996 349 T CA 0.107 62.144 62.100 -0.105 0.000 0.897 349 T CB 0.867 69.645 68.868 -0.149 0.000 1.109 349 T HN 0.181 nan 8.240 nan 0.000 0.534 350 G N 0.721 109.470 108.800 -0.084 0.000 2.333 350 G HA2 0.439 4.399 3.960 -0.000 0.000 0.288 350 G HA3 0.439 4.399 3.960 -0.000 0.000 0.288 350 G C -2.306 172.538 174.900 -0.094 0.000 1.286 350 G CA -1.037 44.017 45.100 -0.076 0.000 0.865 350 G HN 0.346 nan 8.290 nan 0.000 0.506 351 L N -0.317 120.840 121.223 -0.110 0.000 2.323 351 L HA 0.741 5.081 4.340 -0.000 0.000 0.265 351 L C -0.567 176.200 176.870 -0.172 0.000 1.012 351 L CA -0.979 53.773 54.840 -0.147 0.000 0.820 351 L CB 2.184 44.134 42.059 -0.183 0.000 1.334 351 L HN 0.391 nan 8.230 nan 0.000 0.427 352 L N 2.183 123.296 121.223 -0.183 0.000 2.333 352 L HA 0.560 4.900 4.340 -0.000 0.000 0.280 352 L C -0.732 175.973 176.870 -0.276 0.000 1.004 352 L CA -0.780 53.946 54.840 -0.190 0.000 0.820 352 L CB 2.174 44.166 42.059 -0.113 0.000 1.247 352 L HN 0.236 nan 8.230 nan 0.000 0.416 353 V N 1.666 121.341 119.914 -0.399 0.000 2.472 353 V HA 0.272 4.392 4.120 -0.000 0.000 0.290 353 V C -0.282 175.648 176.094 -0.273 0.000 1.037 353 V CA -0.827 61.181 62.300 -0.488 0.000 0.908 353 V CB 1.780 32.951 31.823 -1.086 0.000 0.985 353 V HN 0.595 nan 8.190 nan 0.000 0.454 354 D N 3.847 124.130 120.400 -0.195 0.000 2.295 354 D HA 0.510 5.149 4.640 -0.000 0.000 0.248 354 D C 0.668 176.910 176.300 -0.096 0.000 1.154 354 D CA 1.149 55.081 54.000 -0.112 0.000 0.857 354 D CB 1.564 42.326 40.800 -0.063 0.000 1.117 354 D HN 0.972 nan 8.370 nan 0.000 0.468 355 G N 2.512 111.235 108.800 -0.128 0.000 2.725 355 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.220 355 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.220 355 G C -0.388 174.353 174.900 -0.265 0.000 1.357 355 G CA -0.528 44.522 45.100 -0.083 0.000 0.866 355 G HN 0.705 nan 8.290 nan 0.000 0.548 356 H N -0.259 118.919 119.070 0.181 0.000 2.750 356 H HA 0.486 5.042 4.556 -0.000 0.000 0.239 356 H C 0.824 176.258 175.328 0.177 0.000 1.210 356 H CA 0.257 56.377 56.048 0.119 0.000 0.936 356 H CB 0.257 29.890 29.762 -0.214 0.000 2.074 356 H HN 0.742 nan 8.280 nan 0.000 0.622 357 S N 0.304 116.195 115.700 0.318 0.000 2.528 357 S HA 0.114 4.584 4.470 -0.000 0.000 0.277 357 S C -1.649 173.137 174.600 0.310 0.000 1.297 357 S CA -1.157 57.204 58.200 0.268 0.000 1.052 357 S CB 1.903 65.237 63.200 0.224 0.000 0.917 357 S HN -0.002 nan 8.310 nan 0.000 0.492 358 P HA -0.206 nan 4.420 nan 0.000 0.217 358 P C 1.257 178.697 177.300 0.235 0.000 1.151 358 P CA 1.633 64.858 63.100 0.210 0.000 0.849 358 P CB -0.118 31.675 31.700 0.154 0.000 0.787 359 H N -0.123 119.026 119.070 0.132 0.000 2.319 359 H HA -0.085 4.471 4.556 -0.000 0.000 0.299 359 H C 1.868 177.244 175.328 0.080 0.000 1.092 359 H CA 2.184 58.286 56.048 0.090 0.000 1.302 359 H CB -0.699 29.102 29.762 0.064 0.000 1.373 359 H HN -0.006 nan 8.280 nan 0.000 0.497 360 A N -0.182 122.722 122.820 0.139 0.000 1.933 360 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 360 A C 2.106 179.614 177.584 -0.126 0.000 1.175 360 A CA 1.457 53.487 52.037 -0.012 0.000 0.628 360 A CB -1.150 17.865 19.000 0.025 0.000 0.814 360 A HN 0.672 nan 8.150 nan 0.000 0.444 361 W N -0.432 120.832 121.300 -0.060 0.000 2.409 361 W HA 0.113 4.773 4.660 -0.000 0.000 0.299 361 W C 2.778 179.249 176.519 -0.080 0.000 1.203 361 W CA 1.176 58.484 57.345 -0.061 0.000 1.298 361 W CB -0.405 29.038 29.460 -0.028 0.000 1.127 361 W HN 0.357 nan 8.180 nan 0.000 0.528 362 A N 0.478 123.363 122.820 0.108 0.000 1.892 362 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 362 A C 1.723 179.242 177.584 -0.108 0.000 1.188 362 A CA 2.365 54.393 52.037 -0.014 0.000 0.631 362 A CB -0.991 17.983 19.000 -0.043 0.000 0.822 362 A HN 0.187 nan 8.150 nan 0.000 0.447 363 D N -0.054 120.228 120.400 -0.197 0.000 2.092 363 D HA -0.097 4.543 4.640 -0.000 0.000 0.193 363 D C 2.263 178.462 176.300 -0.169 0.000 0.994 363 D CA 1.853 55.726 54.000 -0.211 0.000 0.828 363 D CB -0.554 40.092 40.800 -0.257 0.000 0.963 363 D HN 0.436 nan 8.370 nan 0.000 0.450 364 A N 0.284 122.981 122.820 -0.204 0.000 1.898 364 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 364 A C 2.416 179.913 177.584 -0.145 0.000 1.181 364 A CA 0.866 52.769 52.037 -0.223 0.000 0.620 364 A CB -0.743 18.025 19.000 -0.386 0.000 0.819 364 A HN 0.197 nan 8.150 nan 0.000 0.442 365 L N -0.726 120.445 121.223 -0.086 0.000 2.017 365 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 365 L C 3.106 179.937 176.870 -0.064 0.000 1.073 365 L CA 1.123 55.941 54.840 -0.036 0.000 0.745 365 L CB -0.507 41.566 42.059 0.024 0.000 0.894 365 L HN 0.422 nan 8.230 nan 0.000 0.432 366 A N -0.156 122.615 122.820 -0.083 0.000 1.940 366 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 366 A C 2.454 179.990 177.584 -0.079 0.000 1.176 366 A CA 2.368 54.352 52.037 -0.089 0.000 0.631 366 A CB -1.016 17.925 19.000 -0.099 0.000 0.814 366 A HN 0.536 nan 8.150 nan 0.000 0.446 367 T N -2.062 112.440 114.554 -0.085 0.000 2.904 367 T HA 0.015 4.365 4.350 -0.000 0.000 0.267 367 T C 1.792 176.453 174.700 -0.065 0.000 1.059 367 T CA 1.324 63.379 62.100 -0.076 0.000 1.137 367 T CB -0.376 68.442 68.868 -0.083 0.000 0.879 367 T HN 0.295 nan 8.240 nan 0.000 0.467 368 L N -0.165 121.018 121.223 -0.066 0.000 2.179 368 L HA 0.214 4.554 4.340 -0.000 0.000 0.208 368 L C 2.677 179.521 176.870 -0.042 0.000 1.096 368 L CA 0.662 55.470 54.840 -0.052 0.000 0.779 368 L CB -0.369 41.660 42.059 -0.050 0.000 0.922 368 L HN 0.296 nan 8.230 nan 0.000 0.443 369 L N -0.395 120.799 121.223 -0.047 0.000 2.093 369 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 369 L C 1.600 178.443 176.870 -0.044 0.000 1.085 369 L CA 1.090 55.902 54.840 -0.047 0.000 0.755 369 L CB -0.277 41.745 42.059 -0.062 0.000 0.904 369 L HN 0.247 nan 8.230 nan 0.000 0.435 370 D N -1.536 118.836 120.400 -0.047 0.000 2.350 370 D HA -0.017 4.623 4.640 -0.000 0.000 0.213 370 D C 0.197 176.479 176.300 -0.031 0.000 1.031 370 D CA 0.501 54.478 54.000 -0.039 0.000 0.861 370 D CB 0.137 40.910 40.800 -0.044 0.000 0.926 370 D HN 0.092 nan 8.370 nan 0.000 0.520 371 D N 0.733 121.114 120.400 -0.032 0.000 2.460 371 D HA 0.072 4.712 4.640 -0.000 0.000 0.268 371 D C 0.453 176.740 176.300 -0.022 0.000 1.153 371 D CA -0.380 53.604 54.000 -0.027 0.000 0.929 371 D CB 0.714 41.494 40.800 -0.033 0.000 1.015 371 D HN -0.302 nan 8.370 nan 0.000 0.502 372 D N 1.604 121.995 120.400 -0.015 0.000 2.104 372 D HA -0.194 4.446 4.640 -0.000 0.000 0.194 372 D C 1.558 177.853 176.300 -0.009 0.000 0.994 372 D CA 0.945 54.940 54.000 -0.009 0.000 0.830 372 D CB 0.170 40.970 40.800 -0.000 0.000 0.959 372 D HN 0.649 nan 8.370 nan 0.000 0.452 373 E N -0.050 120.144 120.200 -0.010 0.000 2.058 373 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 373 E C 1.740 178.331 176.600 -0.015 0.000 0.997 373 E CA 1.712 58.106 56.400 -0.010 0.000 0.801 373 E CB 0.071 29.764 29.700 -0.010 0.000 0.746 373 E HN 0.138 nan 8.360 nan 0.000 0.450 374 T N 0.620 115.162 114.554 -0.020 0.000 2.652 374 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 374 T C 1.885 176.570 174.700 -0.025 0.000 1.039 374 T CA 1.522 63.606 62.100 -0.025 0.000 1.153 374 T CB -0.328 68.521 68.868 -0.032 0.000 0.863 374 T HN 0.196 nan 8.240 nan 0.000 0.428 375 R N 0.472 120.958 120.500 -0.023 0.000 2.083 375 R HA -0.043 4.297 4.340 -0.000 0.000 0.237 375 R C 2.470 178.762 176.300 -0.014 0.000 1.137 375 R CA 1.392 57.479 56.100 -0.021 0.000 0.951 375 R CB -0.495 29.794 30.300 -0.018 0.000 0.851 375 R HN 0.390 nan 8.270 nan 0.000 0.434 376 I N 0.306 120.871 120.570 -0.009 0.000 2.163 376 I HA -0.318 3.852 4.170 -0.000 0.000 0.243 376 I C 2.843 178.956 176.117 -0.007 0.000 1.085 376 I CA 1.425 62.723 61.300 -0.004 0.000 1.347 376 I CB -0.299 37.700 38.000 -0.000 0.000 1.044 376 I HN 0.246 nan 8.210 nan 0.000 0.408 377 R N 0.647 121.140 120.500 -0.012 0.000 2.081 377 R HA -0.176 4.164 4.340 -0.000 0.000 0.235 377 R C 2.394 178.683 176.300 -0.019 0.000 1.131 377 R CA 1.559 57.650 56.100 -0.015 0.000 0.960 377 R CB -0.141 30.148 30.300 -0.018 0.000 0.856 377 R HN 0.286 nan 8.270 nan 0.000 0.436 378 M N -0.727 118.859 119.600 -0.024 0.000 2.108 378 M HA -0.119 4.361 4.480 -0.000 0.000 0.261 378 M C 2.299 178.587 176.300 -0.020 0.000 1.066 378 M CA 1.882 57.164 55.300 -0.030 0.000 1.107 378 M CB -0.489 32.089 32.600 -0.036 0.000 1.356 378 M HN 0.395 nan 8.290 nan 0.000 0.406 379 G N 0.070 108.863 108.800 -0.012 0.000 2.418 379 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 379 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 379 G C 1.325 176.225 174.900 -0.000 0.000 1.158 379 G CA 0.806 45.904 45.100 -0.003 0.000 0.771 379 G HN 0.501 nan 8.290 nan 0.000 0.545 380 E N 0.424 120.622 120.200 -0.003 0.000 2.072 380 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 380 E C 2.076 178.673 176.600 -0.005 0.000 0.985 380 E CA 1.010 57.409 56.400 -0.002 0.000 0.801 380 E CB -0.000 29.698 29.700 -0.004 0.000 0.750 380 E HN 0.245 nan 8.360 nan 0.000 0.452 381 D N 0.561 120.955 120.400 -0.009 0.000 2.144 381 D HA -0.088 4.552 4.640 -0.000 0.000 0.200 381 D C 1.883 178.187 176.300 0.005 0.000 0.978 381 D CA 1.073 55.067 54.000 -0.010 0.000 0.833 381 D CB -0.268 40.519 40.800 -0.023 0.000 0.961 381 D HN 0.145 nan 8.370 nan 0.000 0.470 382 A N 0.742 123.565 122.820 0.005 0.000 1.948 382 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 382 A C 2.494 180.100 177.584 0.036 0.000 1.177 382 A CA 1.488 53.545 52.037 0.033 0.000 0.636 382 A CB -0.790 18.220 19.000 0.016 0.000 0.815 382 A HN 0.158 nan 8.150 nan 0.000 0.449 383 V N 0.197 120.116 119.914 0.009 0.000 2.233 383 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 383 V C 2.659 178.729 176.094 -0.040 0.000 1.050 383 V CA 2.213 64.508 62.300 -0.009 0.000 1.010 383 V CB -0.797 31.024 31.823 -0.004 0.000 0.637 383 V HN 0.676 nan 8.190 nan 0.000 0.444 384 E N -0.234 119.948 120.200 -0.030 0.000 2.130 384 E HA -0.293 4.057 4.350 -0.000 0.000 0.196 384 E C 2.243 178.788 176.600 -0.092 0.000 0.998 384 E CA 1.824 58.192 56.400 -0.053 0.000 0.806 384 E CB -0.393 29.290 29.700 -0.029 0.000 0.738 384 E HN 0.802 nan 8.360 nan 0.000 0.459 385 H N -0.429 118.542 119.070 -0.164 0.000 2.357 385 H HA -0.005 4.551 4.556 -0.000 0.000 0.301 385 H C 1.682 176.701 175.328 -0.514 0.000 1.082 385 H CA 1.495 57.396 56.048 -0.245 0.000 1.342 385 H CB 0.179 29.855 29.762 -0.143 0.000 1.389 385 H HN 0.205 nan 8.280 nan 0.000 0.511 386 A N 0.823 123.373 122.820 -0.450 0.000 2.119 386 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 386 A C 2.356 179.553 177.584 -0.646 0.000 1.153 386 A CA 0.706 52.357 52.037 -0.644 0.000 0.692 386 A CB -0.321 18.648 19.000 -0.052 0.000 0.799 386 A HN 0.308 nan 8.150 nan 0.000 0.458 387 R N -0.157 120.089 120.500 -0.422 0.000 2.316 387 R HA -0.036 4.304 4.340 -0.000 0.000 0.202 387 R C 2.011 178.098 176.300 -0.355 0.000 1.029 387 R CA 1.267 57.195 56.100 -0.288 0.000 1.018 387 R CB -0.579 29.626 30.300 -0.159 0.000 0.888 387 R HN 0.683 nan 8.270 nan 0.000 0.471 388 T N -2.161 112.031 114.554 -0.603 0.000 3.098 388 T HA -0.005 4.345 4.350 -0.000 0.000 0.266 388 T C 0.293 174.773 174.700 -0.367 0.000 1.145 388 T CA 0.433 62.225 62.100 -0.513 0.000 1.092 388 T CB -0.271 68.252 68.868 -0.575 0.000 0.908 388 T HN 0.026 nan 8.240 nan 0.000 0.526 389 F N 1.027 120.842 119.950 -0.226 0.000 2.467 389 F HA 0.624 5.151 4.527 -0.000 0.000 0.336 389 F C 0.390 176.009 175.800 -0.301 0.000 1.123 389 F CA -1.311 56.523 58.000 -0.277 0.000 0.964 389 F CB 2.154 40.967 39.000 -0.311 0.000 1.136 389 F HN -0.010 nan 8.300 nan 0.000 0.447 390 S N 3.273 118.882 115.700 -0.151 0.000 2.417 390 S HA 0.114 4.584 4.470 -0.000 0.000 0.189 390 S C 0.074 174.630 174.600 -0.074 0.000 1.005 390 S CA -0.897 57.245 58.200 -0.096 0.000 1.116 390 S CB -0.087 63.087 63.200 -0.043 0.000 1.343 390 S HN 0.792 nan 8.310 nan 0.000 0.406 391 W N 2.776 124.082 121.300 0.010 0.000 2.313 391 W HA -0.241 4.419 4.660 -0.000 0.000 0.293 391 W C 2.365 178.856 176.519 -0.047 0.000 1.216 391 W CA 1.222 58.542 57.345 -0.042 0.000 1.223 391 W CB 0.033 29.471 29.460 -0.036 0.000 1.138 391 W HN 0.786 nan 8.180 nan 0.000 0.535 392 A N -0.000 122.933 122.820 0.188 0.000 1.930 392 A HA 0.078 4.397 4.320 -0.000 0.000 0.215 392 A C 2.008 179.624 177.584 0.055 0.000 1.176 392 A CA 1.555 53.654 52.037 0.105 0.000 0.632 392 A CB -1.273 17.774 19.000 0.078 0.000 0.819 392 A HN 0.169 nan 8.150 nan 0.000 0.445 393 A N -0.154 122.684 122.820 0.030 0.000 1.887 393 A HA -0.347 3.973 4.320 -0.000 0.000 0.225 393 A C 2.312 179.903 177.584 0.012 0.000 1.464 393 A CA 3.184 55.226 52.037 0.008 0.000 0.717 393 A CB -1.828 17.162 19.000 -0.017 0.000 0.848 393 A HN 0.468 nan 8.150 nan 0.000 0.477 394 T N 0.004 114.575 114.554 0.030 0.000 2.665 394 T HA -0.098 4.252 4.350 -0.000 0.000 0.268 394 T C 2.159 176.880 174.700 0.036 0.000 1.035 394 T CA 2.407 64.534 62.100 0.045 0.000 1.151 394 T CB -0.656 68.282 68.868 0.117 0.000 0.862 394 T HN 0.804 nan 8.240 nan 0.000 0.438 395 A N 1.247 124.097 122.820 0.050 0.000 1.930 395 A HA 0.234 4.554 4.320 -0.000 0.000 0.217 395 A C 2.658 180.224 177.584 -0.030 0.000 1.175 395 A CA 1.723 53.767 52.037 0.011 0.000 0.627 395 A CB -1.053 17.968 19.000 0.036 0.000 0.815 395 A HN 0.517 nan 8.150 nan 0.000 0.443 396 A N -0.442 122.371 122.820 -0.011 0.000 1.908 396 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 396 A C 2.130 179.684 177.584 -0.049 0.000 1.181 396 A CA 1.714 53.738 52.037 -0.022 0.000 0.627 396 A CB -0.592 18.404 19.000 -0.007 0.000 0.818 396 A HN 0.663 nan 8.150 nan 0.000 0.445 397 Q N -0.523 119.249 119.800 -0.047 0.000 2.050 397 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 397 Q C 2.144 178.065 176.000 -0.132 0.000 0.980 397 Q CA 1.464 57.230 55.803 -0.062 0.000 0.840 397 Q CB -0.347 28.370 28.738 -0.034 0.000 0.898 397 Q HN 0.682 nan 8.270 nan 0.000 0.424 398 L N 0.085 121.192 121.223 -0.193 0.000 2.017 398 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 398 L C 2.684 179.098 176.870 -0.759 0.000 1.073 398 L CA 1.001 55.553 54.840 -0.480 0.000 0.745 398 L CB -0.582 41.216 42.059 -0.436 0.000 0.894 398 L HN 0.205 nan 8.230 nan 0.000 0.432 399 S N -0.551 114.895 115.700 -0.424 0.000 2.372 399 S HA -0.255 4.215 4.470 -0.000 0.000 0.227 399 S C 2.226 176.766 174.600 -0.099 0.000 1.044 399 S CA 2.097 60.175 58.200 -0.203 0.000 1.050 399 S CB -0.172 62.995 63.200 -0.055 0.000 0.901 399 S HN 0.435 nan 8.310 nan 0.000 0.447 400 S N 1.122 116.768 115.700 -0.089 0.000 2.356 400 S HA -0.053 4.417 4.470 -0.000 0.000 0.223 400 S C 1.736 176.324 174.600 -0.020 0.000 1.032 400 S CA 1.279 59.459 58.200 -0.033 0.000 1.005 400 S CB -0.615 62.566 63.200 -0.030 0.000 0.867 400 S HN 0.431 nan 8.310 nan 0.000 0.449 401 L N 0.832 122.009 121.223 -0.076 0.000 2.013 401 L HA -0.160 4.180 4.340 -0.000 0.000 0.212 401 L C 2.093 179.027 176.870 0.107 0.000 1.073 401 L CA 1.778 56.601 54.840 -0.029 0.000 0.753 401 L CB -0.689 41.308 42.059 -0.104 0.000 0.890 401 L HN 0.281 nan 8.230 nan 0.000 0.432 402 Y N -0.340 119.971 120.300 0.019 0.000 2.145 402 Y HA -0.193 4.357 4.550 -0.000 0.000 0.286 402 Y C 2.637 178.559 175.900 0.036 0.000 1.145 402 Y CA 0.996 59.116 58.100 0.032 0.000 1.148 402 Y CB -1.335 37.161 38.460 0.060 0.000 0.981 402 Y HN 0.319 nan 8.280 nan 0.000 0.507 403 N N 0.468 119.283 118.700 0.192 0.000 2.104 403 N HA -0.160 4.580 4.740 -0.000 0.000 0.190 403 N C 1.317 176.878 175.510 0.086 0.000 1.024 403 N CA 1.571 54.691 53.050 0.117 0.000 0.853 403 N CB -0.422 38.114 38.487 0.081 0.000 1.008 403 N HN 0.389 nan 8.380 nan 0.000 0.424 404 D N 1.138 121.582 120.400 0.072 0.000 2.097 404 D HA -0.079 4.561 4.640 -0.000 0.000 0.195 404 D C 1.914 178.250 176.300 0.061 0.000 0.989 404 D CA 1.189 55.221 54.000 0.054 0.000 0.827 404 D CB -0.454 40.370 40.800 0.039 0.000 0.966 404 D HN 0.208 nan 8.370 nan 0.000 0.456 405 A N 0.828 123.696 122.820 0.080 0.000 1.883 405 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 405 A C 2.423 180.048 177.584 0.069 0.000 1.186 405 A CA 1.198 53.279 52.037 0.074 0.000 0.624 405 A CB -0.851 18.204 19.000 0.092 0.000 0.822 405 A HN 0.200 nan 8.150 nan 0.000 0.444 406 I N -0.270 120.349 120.570 0.080 0.000 2.142 406 I HA -0.291 3.879 4.170 -0.000 0.000 0.240 406 I C 2.970 179.120 176.117 0.055 0.000 1.078 406 I CA 1.163 62.504 61.300 0.069 0.000 1.343 406 I CB -0.363 37.682 38.000 0.075 0.000 1.046 406 I HN 0.347 nan 8.210 nan 0.000 0.405 407 A N 0.788 123.640 122.820 0.053 0.000 1.986 407 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 407 A C 1.833 179.439 177.584 0.036 0.000 1.171 407 A CA 2.342 54.404 52.037 0.042 0.000 0.640 407 A CB -1.071 17.952 19.000 0.038 0.000 0.811 407 A HN 0.612 nan 8.150 nan 0.000 0.451 408 N N -0.105 118.618 118.700 0.038 0.000 2.336 408 N HA 0.075 4.815 4.740 -0.000 0.000 0.189 408 N C 0.526 176.056 175.510 0.035 0.000 1.113 408 N CA 0.338 53.407 53.050 0.033 0.000 0.858 408 N CB 0.121 38.626 38.487 0.030 0.000 0.970 408 N HN 0.818 nan 8.380 nan 0.000 0.471 409 E N 0.000 120.224 120.200 0.040 0.000 2.725 409 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 409 E CA 0.000 56.426 56.400 0.043 0.000 0.976 409 E CB 0.000 29.732 29.700 0.053 0.000 0.812 409 E HN 0.000 nan 8.360 nan 0.000 0.440