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 2qql_1_A DATA FIRST_RESID 26 DATA SEQUENCE PPcGGRLNSK DAGYITSPGY PQDYPSHQNc EWIVYAPEPN QKIVLNFNPH DATA SEQUENCE FEIEKHDcKY DFIEIRDGDS ESADLLGKHc GNIAPPTIIS SGSMLYIKFT DATA SEQUENCE SDYARQGAGF SLRYEIFKTG SEDcSKNFTS PNGTIESPGF PEKYPHNLDc DATA SEQUENCE TFTILAKPKM EIILQFLIFD LXXXXXXXXX XXcKYDWLDI WDGIPHVGPL DATA SEQUENCE IGKYcGTKTP SELRSSTGIL SLTFHTDMAV AKDGFSARYY LVHQEPLENF DATA SEQUENCE QcNVPLGMES GRIANEQISA SSTYSDGRWT PQQSRLHGDD NGWTPNLDSN DATA SEQUENCE KEYLQVDLRF LTMLTAIATQ GAISRETQNG YYVKSYKLEV STNGEDWMVY DATA SEQUENCE RHGKNHKVFQ ANNDATEVVL NKLHAPLLTR FVRIRPQTWH SGIALRLELF DATA SEQUENCE GcRVTDAPcS NMLGMLSGLI ADSQISASST QEYLWSPSAA RLVSSRSGWF DATA SEQUENCE PRIPQAQPGE EWLQVDLGTP KTVKGVIIQG ARGXXXXXXX XARAFVRKFK DATA SEQUENCE VSYSLNGKDW EYIQDPRTQQ PKLFEGNMHY DTPDIRRFDP IPAQYVRVYP DATA SEQUENCE ERWSPAGIGM RLEVLGcDWT XXXHHH 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 26 P HA 0.000 nan 4.420 nan 0.000 0.216 26 P C 0.000 177.348 177.300 0.080 0.000 1.155 26 P CA 0.000 63.126 63.100 0.043 0.000 0.800 26 P CB 0.000 31.732 31.700 0.053 0.000 0.726 27 P HA 0.029 nan 4.420 nan 0.000 0.257 27 P C 0.656 178.011 177.300 0.091 0.000 1.162 27 P CA 0.055 63.264 63.100 0.181 0.000 0.762 27 P CB 0.177 32.006 31.700 0.215 0.000 0.753 28 c N 1.892 120.524 118.600 0.053 0.000 2.644 28 c HA 0.710 5.279 4.570 -0.001 0.000 0.417 28 c C 0.835 174.752 174.090 -0.289 0.000 1.304 28 c CA 0.602 56.907 56.329 -0.040 0.000 2.035 28 c CB -0.654 41.850 42.510 -0.010 0.000 2.673 28 c HN 1.140 nan 8.230 nan 0.000 0.602 29 G N 2.090 110.570 108.800 -0.533 0.000 2.707 29 G HA2 0.544 4.504 3.960 -0.001 0.000 0.686 29 G HA3 0.544 4.504 3.960 -0.001 0.000 0.686 29 G C -0.195 174.508 174.900 -0.328 0.000 1.315 29 G CA -0.115 44.364 45.100 -1.035 0.000 0.832 29 G HN 3.045 nan 8.290 nan 0.000 0.573 30 G N -0.984 107.696 108.800 -0.200 0.000 2.351 30 G HA2 0.630 4.590 3.960 -0.001 0.000 0.279 30 G HA3 0.630 4.590 3.960 -0.001 0.000 0.279 30 G C -1.191 173.773 174.900 0.106 0.000 1.297 30 G CA -0.165 44.948 45.100 0.021 0.000 0.886 30 G HN 0.986 nan 8.290 nan 0.000 0.493 31 R N -0.033 120.543 120.500 0.127 0.000 2.360 31 R HA 0.612 4.952 4.340 -0.001 0.000 0.318 31 R C -0.601 175.784 176.300 0.143 0.000 0.950 31 R CA -0.475 55.730 56.100 0.175 0.000 0.837 31 R CB 1.352 31.771 30.300 0.199 0.000 1.165 31 R HN 0.380 nan 8.270 nan 0.000 0.458 32 L N 2.274 123.495 121.223 -0.003 0.000 2.329 32 L HA 0.416 4.756 4.340 -0.001 0.000 0.279 32 L C -0.034 176.452 176.870 -0.640 0.000 1.014 32 L CA -0.976 53.736 54.840 -0.214 0.000 0.814 32 L CB 1.651 43.531 42.059 -0.299 0.000 1.257 32 L HN 0.492 nan 8.230 nan 0.000 0.424 33 N N 1.315 119.641 118.700 -0.623 0.000 2.437 33 N HA 0.017 4.757 4.740 -0.001 0.000 0.243 33 N C 0.535 175.783 175.510 -0.437 0.000 1.041 33 N CA 0.128 52.619 53.050 -0.932 0.000 0.940 33 N CB 1.604 39.838 38.487 -0.421 0.000 1.133 33 N HN 0.599 nan 8.380 nan 0.000 0.506 34 S N 3.333 118.774 115.700 -0.433 0.000 2.603 34 S HA -0.054 4.416 4.470 -0.001 0.000 0.229 34 S C 1.654 176.260 174.600 0.010 0.000 0.972 34 S CA 0.376 58.521 58.200 -0.092 0.000 0.935 34 S CB -0.185 62.963 63.200 -0.086 0.000 0.769 34 S HN 0.709 nan 8.310 nan 0.000 0.536 35 K N 0.759 121.135 120.400 -0.041 0.000 2.107 35 K HA -0.172 4.148 4.320 -0.001 0.000 0.211 35 K C -0.605 176.008 176.600 0.022 0.000 1.049 35 K CA 1.712 58.000 56.287 0.001 0.000 0.927 35 K CB -0.152 32.349 32.500 0.001 0.000 0.714 35 K HN 0.345 nan 8.250 nan 0.000 0.452 36 D N 0.093 120.517 120.400 0.040 0.000 2.308 36 D HA 0.271 4.911 4.640 -0.001 0.000 0.242 36 D C -1.013 175.323 176.300 0.060 0.000 1.059 36 D CA -0.132 53.893 54.000 0.040 0.000 0.830 36 D CB 1.712 42.534 40.800 0.037 0.000 1.161 36 D HN 0.349 nan 8.370 nan 0.000 0.494 37 A N 1.883 124.687 122.820 -0.027 0.000 2.540 37 A HA 0.531 4.851 4.320 -0.001 0.000 0.239 37 A C 0.762 178.104 177.584 -0.404 0.000 1.061 37 A CA 0.498 52.419 52.037 -0.193 0.000 0.758 37 A CB 0.246 19.137 19.000 -0.181 0.000 0.991 37 A HN 0.596 nan 8.150 nan 0.000 0.502 38 G N -0.066 108.035 108.800 -1.165 0.000 2.788 38 G HA2 0.595 4.555 3.960 -0.001 0.000 0.293 38 G HA3 0.595 4.555 3.960 -0.001 0.000 0.293 38 G C -1.626 172.514 174.900 -1.266 0.000 1.392 38 G CA -0.530 43.940 45.100 -1.049 0.000 0.810 38 G HN 0.538 nan 8.290 nan 0.000 0.508 39 Y N -1.043 118.950 120.300 -0.513 0.000 2.524 39 Y HA 0.757 5.307 4.550 -0.001 0.000 0.344 39 Y C 0.242 176.061 175.900 -0.135 0.000 1.012 39 Y CA -0.796 57.124 58.100 -0.300 0.000 1.068 39 Y CB 2.443 40.781 38.460 -0.203 0.000 1.249 39 Y HN 0.295 nan 8.280 nan 0.000 0.468 40 I N 1.960 122.486 120.570 -0.074 0.000 2.571 40 I HA 0.466 4.636 4.170 -0.001 0.000 0.289 40 I C -0.901 175.010 176.117 -0.344 0.000 1.115 40 I CA -0.588 60.566 61.300 -0.244 0.000 1.045 40 I CB 2.416 40.073 38.000 -0.571 0.000 1.238 40 I HN 0.685 nan 8.210 nan 0.000 0.424 41 T N 1.062 115.360 114.554 -0.427 0.000 2.903 41 T HA 0.466 4.815 4.350 -0.001 0.000 0.299 41 T C -0.184 174.044 174.700 -0.788 0.000 1.093 41 T CA -0.812 60.801 62.100 -0.812 0.000 1.002 41 T CB 1.702 70.280 68.868 -0.483 0.000 1.127 41 T HN 0.532 nan 8.240 nan 0.000 0.488 42 S N 3.063 117.921 115.700 -1.404 0.000 2.575 42 S HA 0.162 4.631 4.470 -0.001 0.000 0.295 42 S C -1.583 172.900 174.600 -0.195 0.000 1.267 42 S CA -0.630 57.109 58.200 -0.767 0.000 1.074 42 S CB -0.107 62.498 63.200 -0.991 0.000 0.829 42 S HN 0.646 nan 8.310 nan 0.000 0.497 43 P HA -0.252 nan 4.420 nan 0.000 0.224 43 P C 1.734 179.088 177.300 0.090 0.000 1.153 43 P CA 2.232 65.394 63.100 0.104 0.000 0.947 43 P CB -0.475 31.317 31.700 0.153 0.000 0.790 44 G N -2.574 106.293 108.800 0.112 0.000 2.403 44 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.216 44 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.216 44 G C 0.221 175.169 174.900 0.081 0.000 1.154 44 G CA -0.044 45.109 45.100 0.088 0.000 0.784 44 G HN 0.265 nan 8.290 nan 0.000 0.538 45 Y N 2.475 122.743 120.300 -0.053 0.000 3.079 45 Y HA -0.078 4.471 4.550 -0.001 0.000 0.368 45 Y C -1.013 174.855 175.900 -0.054 0.000 1.224 45 Y CA -0.549 57.509 58.100 -0.070 0.000 1.599 45 Y CB 0.824 39.188 38.460 -0.160 0.000 1.098 45 Y HN 0.102 nan 8.280 nan 0.000 0.588 46 P HA -0.039 nan 4.420 nan 0.000 0.249 46 P C -0.504 176.612 177.300 -0.307 0.000 1.229 46 P CA 0.275 62.905 63.100 -0.783 0.000 0.788 46 P CB 0.209 31.503 31.700 -0.677 0.000 1.072 47 Q N 1.259 120.968 119.800 -0.153 0.000 2.392 47 Q HA 0.063 4.403 4.340 -0.001 0.000 0.262 47 Q C -0.309 175.669 176.000 -0.037 0.000 1.003 47 Q CA 0.185 55.942 55.803 -0.077 0.000 0.888 47 Q CB -0.198 28.519 28.738 -0.035 0.000 1.260 47 Q HN -0.020 nan 8.270 nan 0.000 0.435 48 D N 2.367 122.736 120.400 -0.052 0.000 2.472 48 D HA 0.008 4.648 4.640 -0.001 0.000 0.237 48 D C -0.732 175.559 176.300 -0.016 0.000 1.141 48 D CA 0.428 54.378 54.000 -0.083 0.000 0.875 48 D CB 0.065 40.773 40.800 -0.154 0.000 1.192 48 D HN 0.434 nan 8.370 nan 0.000 0.450 49 Y N 0.813 121.178 120.300 0.109 0.000 2.397 49 Y HA 0.414 4.963 4.550 -0.001 0.000 0.335 49 Y C -2.280 173.720 175.900 0.167 0.000 1.213 49 Y CA -2.627 55.570 58.100 0.161 0.000 1.391 49 Y CB -0.647 37.978 38.460 0.274 0.000 1.293 49 Y HN 0.201 nan 8.280 nan 0.000 0.557 50 P HA 0.048 nan 4.420 nan 0.000 0.272 50 P C -0.400 177.097 177.300 0.329 0.000 1.240 50 P CA -0.311 62.937 63.100 0.247 0.000 0.791 50 P CB 1.014 32.837 31.700 0.205 0.000 0.978 51 S N -0.120 115.727 115.700 0.246 0.000 2.624 51 S HA 0.096 4.566 4.470 -0.001 0.000 0.263 51 S C 0.284 175.070 174.600 0.311 0.000 1.287 51 S CA -0.139 58.229 58.200 0.279 0.000 0.990 51 S CB -0.509 62.865 63.200 0.290 0.000 0.950 51 S HN 0.776 nan 8.310 nan 0.000 0.561 52 H N -0.812 118.337 119.070 0.131 0.000 2.750 52 H HA -0.156 4.399 4.556 -0.001 0.000 0.327 52 H C -0.739 174.583 175.328 -0.010 0.000 1.199 52 H CA 0.465 56.530 56.048 0.028 0.000 1.149 52 H CB -0.892 28.848 29.762 -0.035 0.000 1.543 52 H HN 0.624 nan 8.280 nan 0.000 0.427 53 Q N 1.600 121.477 119.800 0.128 0.000 2.356 53 Q HA 0.446 4.786 4.340 -0.001 0.000 0.270 53 Q C -0.685 175.303 176.000 -0.020 0.000 1.058 53 Q CA -0.710 55.132 55.803 0.065 0.000 0.802 53 Q CB 1.387 30.227 28.738 0.170 0.000 1.303 53 Q HN 0.560 nan 8.270 nan 0.000 0.444 54 N N 2.548 121.229 118.700 -0.031 0.000 2.733 54 N HA 0.234 4.973 4.740 -0.001 0.000 0.271 54 N C -1.287 174.163 175.510 -0.101 0.000 1.720 54 N CA -0.202 52.812 53.050 -0.060 0.000 0.803 54 N CB 0.522 38.969 38.487 -0.067 0.000 1.208 54 N HN 0.550 nan 8.380 nan 0.000 0.498 55 c N 1.706 120.257 118.600 -0.082 0.000 2.576 55 c HA 0.241 4.810 4.570 -0.001 0.000 0.401 55 c C 0.438 174.245 174.090 -0.471 0.000 1.314 55 c CA -0.502 55.585 56.329 -0.404 0.000 1.855 55 c CB -0.962 41.252 42.510 -0.494 0.000 2.537 55 c HN 0.542 nan 8.230 nan 0.000 0.578 56 E N 2.782 122.623 120.200 -0.597 0.000 2.256 56 E HA 0.538 4.888 4.350 -0.001 0.000 0.268 56 E C -1.365 174.948 176.600 -0.478 0.000 0.877 56 E CA -0.544 55.584 56.400 -0.453 0.000 0.757 56 E CB 1.584 31.104 29.700 -0.300 0.000 1.183 56 E HN 0.706 nan 8.360 nan 0.000 0.418 57 W N 2.591 123.767 121.300 -0.206 0.000 2.799 57 W HA 0.590 5.250 4.660 -0.001 0.000 0.349 57 W C -0.444 176.004 176.519 -0.118 0.000 1.100 57 W CA -1.059 56.223 57.345 -0.104 0.000 1.174 57 W CB 1.727 31.159 29.460 -0.047 0.000 1.427 57 W HN 0.394 nan 8.180 nan 0.000 0.547 58 I N 2.094 122.786 120.570 0.203 0.000 2.447 58 I HA 0.238 4.408 4.170 -0.001 0.000 0.287 58 I C -0.576 175.603 176.117 0.105 0.000 1.023 58 I CA -0.891 60.511 61.300 0.171 0.000 1.083 58 I CB 1.898 40.011 38.000 0.188 0.000 1.245 58 I HN -0.140 nan 8.210 nan 0.000 0.434 59 V N 7.314 127.233 119.914 0.008 0.000 2.347 59 V HA 0.366 4.486 4.120 -0.001 0.000 0.280 59 V C -0.808 175.248 176.094 -0.064 0.000 1.021 59 V CA -0.627 61.547 62.300 -0.211 0.000 0.847 59 V CB 0.785 32.391 31.823 -0.361 0.000 0.990 59 V HN 0.590 nan 8.190 nan 0.000 0.444 60 Y N 3.035 123.258 120.300 -0.128 0.000 2.446 60 Y HA 0.916 5.465 4.550 -0.001 0.000 0.345 60 Y C 0.003 175.876 175.900 -0.045 0.000 0.984 60 Y CA -1.308 56.752 58.100 -0.065 0.000 1.058 60 Y CB 1.490 39.921 38.460 -0.049 0.000 1.220 60 Y HN 0.647 nan 8.280 nan 0.000 0.455 61 A N 4.434 127.332 122.820 0.130 0.000 2.316 61 A HA 0.499 4.818 4.320 -0.001 0.000 0.284 61 A C -1.919 175.789 177.584 0.207 0.000 1.115 61 A CA -1.845 50.249 52.037 0.095 0.000 0.812 61 A CB 0.160 19.216 19.000 0.093 0.000 1.064 61 A HN 0.745 nan 8.150 nan 0.000 0.489 62 P HA 0.081 nan 4.420 nan 0.000 0.245 62 P C -0.145 177.218 177.300 0.105 0.000 1.212 62 P CA 0.829 64.028 63.100 0.164 0.000 0.774 62 P CB 0.377 32.141 31.700 0.106 0.000 0.999 63 E N 0.027 120.282 120.200 0.093 0.000 2.293 63 E HA 0.253 4.603 4.350 -0.001 0.000 0.270 63 E C -1.944 174.706 176.600 0.084 0.000 0.879 63 E CA -2.160 54.281 56.400 0.068 0.000 0.756 63 E CB 2.339 32.070 29.700 0.051 0.000 1.208 63 E HN -0.168 nan 8.360 nan 0.000 0.428 64 P HA -0.170 nan 4.420 nan 0.000 0.216 64 P C 0.801 178.175 177.300 0.122 0.000 1.153 64 P CA 1.113 64.285 63.100 0.121 0.000 0.844 64 P CB 0.248 32.012 31.700 0.108 0.000 0.787 65 N N -0.464 118.281 118.700 0.074 0.000 1.987 65 N HA -0.262 4.478 4.740 -0.001 0.000 0.147 65 N C 0.670 176.243 175.510 0.104 0.000 0.635 65 N CA 1.516 54.611 53.050 0.074 0.000 0.847 65 N CB -0.310 38.209 38.487 0.053 0.000 0.879 65 N HN 0.299 nan 8.380 nan 0.000 1.211 66 Q N 0.332 120.195 119.800 0.106 0.000 2.260 66 Q HA 0.340 4.679 4.340 -0.001 0.000 0.238 66 Q C -0.844 175.238 176.000 0.137 0.000 0.948 66 Q CA -0.008 55.869 55.803 0.122 0.000 0.895 66 Q CB 1.535 30.334 28.738 0.102 0.000 1.218 66 Q HN 0.108 nan 8.270 nan 0.000 0.470 67 K N 0.508 121.009 120.400 0.169 0.000 2.295 67 K HA 0.507 4.827 4.320 -0.001 0.000 0.239 67 K C -1.165 175.518 176.600 0.139 0.000 0.991 67 K CA -0.635 55.732 56.287 0.133 0.000 0.845 67 K CB 1.183 33.734 32.500 0.085 0.000 1.197 67 K HN 0.324 nan 8.250 nan 0.000 0.441 68 I N 0.913 121.529 120.570 0.078 0.000 2.428 68 I HA 0.334 4.504 4.170 -0.001 0.000 0.296 68 I C -0.860 175.293 176.117 0.060 0.000 0.985 68 I CA -0.488 60.855 61.300 0.072 0.000 1.260 68 I CB 1.709 39.725 38.000 0.027 0.000 1.389 68 I HN 0.236 nan 8.210 nan 0.000 0.484 69 V N 7.480 127.457 119.914 0.104 0.000 2.604 69 V HA 0.613 4.732 4.120 -0.001 0.000 0.305 69 V C -1.034 175.068 176.094 0.013 0.000 1.043 69 V CA -0.576 61.771 62.300 0.077 0.000 0.888 69 V CB 1.810 33.772 31.823 0.231 0.000 0.995 69 V HN 0.502 nan 8.190 nan 0.000 0.429 70 L N 5.814 127.014 121.223 -0.038 0.000 2.341 70 L HA 0.653 4.993 4.340 -0.001 0.000 0.278 70 L C -0.891 175.874 176.870 -0.174 0.000 1.005 70 L CA -0.632 54.109 54.840 -0.164 0.000 0.818 70 L CB 1.976 43.896 42.059 -0.231 0.000 1.259 70 L HN 0.686 nan 8.230 nan 0.000 0.418 71 N N 2.235 120.774 118.700 -0.267 0.000 2.346 71 N HA 0.562 5.302 4.740 -0.001 0.000 0.289 71 N C -1.117 174.220 175.510 -0.288 0.000 1.027 71 N CA -0.470 52.476 53.050 -0.174 0.000 0.864 71 N CB 1.624 40.062 38.487 -0.081 0.000 1.370 71 N HN 0.243 nan 8.380 nan 0.000 0.481 72 F N 0.597 120.486 119.950 -0.101 0.000 2.382 72 F HA 0.276 4.803 4.527 -0.001 0.000 0.331 72 F C 1.318 177.102 175.800 -0.026 0.000 1.121 72 F CA -0.578 57.376 58.000 -0.077 0.000 1.183 72 F CB 0.637 39.536 39.000 -0.168 0.000 1.207 72 F HN 0.404 nan 8.300 nan 0.000 0.555 73 N N 3.138 121.966 118.700 0.213 0.000 2.520 73 N HA 0.119 4.858 4.740 -0.001 0.000 0.273 73 N C -1.953 173.666 175.510 0.183 0.000 1.155 73 N CA -1.379 51.792 53.050 0.202 0.000 0.967 73 N CB 1.564 40.215 38.487 0.273 0.000 1.092 73 N HN 0.188 nan 8.380 nan 0.000 0.457 74 P HA -0.057 nan 4.420 nan 0.000 0.220 74 P C -0.620 176.647 177.300 -0.054 0.000 1.148 74 P CA 1.246 64.288 63.100 -0.095 0.000 0.803 74 P CB -0.039 31.501 31.700 -0.267 0.000 0.782 75 H N -0.628 118.600 119.070 0.263 0.000 3.205 75 H HA 0.287 4.843 4.556 -0.001 0.000 0.262 75 H C -0.525 175.066 175.328 0.439 0.000 1.333 75 H CA -0.303 55.921 56.048 0.292 0.000 1.499 75 H CB -1.297 28.613 29.762 0.246 0.000 1.609 75 H HN 0.070 nan 8.280 nan 0.000 0.498 76 F N 2.725 122.839 119.950 0.272 0.000 2.539 76 F HA 0.308 4.834 4.527 -0.001 0.000 0.328 76 F C -0.971 174.981 175.800 0.252 0.000 1.148 76 F CA -0.782 57.384 58.000 0.277 0.000 0.940 76 F CB 1.354 40.451 39.000 0.162 0.000 1.194 76 F HN 0.435 nan 8.300 nan 0.000 0.438 77 E N 8.258 128.383 120.200 -0.124 0.000 2.260 77 E HA 0.588 4.938 4.350 -0.001 0.000 0.266 77 E C -1.838 174.736 176.600 -0.042 0.000 0.887 77 E CA -0.495 55.873 56.400 -0.054 0.000 0.777 77 E CB 1.537 31.290 29.700 0.089 0.000 1.205 77 E HN 0.735 nan 8.360 nan 0.000 0.414 78 I N 2.148 122.707 120.570 -0.019 0.000 2.994 78 I HA 0.267 4.436 4.170 -0.001 0.000 0.306 78 I C -0.167 176.091 176.117 0.234 0.000 1.195 78 I CA -1.233 60.189 61.300 0.202 0.000 1.001 78 I CB 2.157 40.213 38.000 0.093 0.000 1.244 78 I HN 0.497 nan 8.210 nan 0.000 0.437 79 E N 3.386 123.778 120.200 0.321 0.000 2.413 79 E HA 0.105 4.454 4.350 -0.001 0.000 0.263 79 E C -0.043 176.713 176.600 0.259 0.000 1.015 79 E CA 0.211 56.779 56.400 0.280 0.000 0.916 79 E CB 1.210 31.116 29.700 0.344 0.000 0.947 79 E HN 0.466 nan 8.360 nan 0.000 0.440 80 K N 2.004 122.507 120.400 0.171 0.000 3.031 80 K HA 0.055 4.374 4.320 -0.001 0.000 0.165 80 K C 0.725 177.427 176.600 0.170 0.000 1.137 80 K CA -0.349 55.993 56.287 0.092 0.000 1.375 80 K CB -0.127 32.344 32.500 -0.049 0.000 1.914 80 K HN 0.520 nan 8.250 nan 0.000 0.490 81 H N 0.250 119.386 119.070 0.110 0.000 1.452 81 H HA -0.192 4.364 4.556 -0.001 0.000 0.090 81 H C -0.336 175.008 175.328 0.025 0.000 0.648 81 H CA 1.641 57.737 56.048 0.080 0.000 1.901 81 H CB -1.098 28.742 29.762 0.131 0.000 2.257 81 H HN 0.534 nan 8.280 nan 0.000 0.961 82 D N 0.897 121.360 120.400 0.105 0.000 2.891 82 D HA 0.317 4.957 4.640 -0.001 0.000 0.312 82 D C 0.164 176.462 176.300 -0.004 0.000 1.354 82 D CA 0.541 54.554 54.000 0.022 0.000 0.838 82 D CB -0.445 40.345 40.800 -0.016 0.000 1.117 82 D HN 0.594 nan 8.370 nan 0.000 0.473 83 c N 0.277 118.914 118.600 0.061 0.000 4.297 83 c HA -0.215 4.354 4.570 -0.001 0.000 0.290 83 c C 2.155 176.274 174.090 0.048 0.000 1.444 83 c CA 0.378 56.773 56.329 0.111 0.000 1.982 83 c CB -2.125 40.428 42.510 0.072 0.000 1.276 83 c HN 0.487 nan 8.230 nan 0.000 0.797 84 K N -0.565 119.719 120.400 -0.193 0.000 2.097 84 K HA -0.137 4.183 4.320 -0.001 0.000 0.206 84 K C 1.571 177.985 176.600 -0.310 0.000 1.049 84 K CA 2.124 58.154 56.287 -0.427 0.000 0.933 84 K CB -0.081 31.881 32.500 -0.897 0.000 0.717 84 K HN 0.798 nan 8.250 nan 0.000 0.442 85 Y N -0.218 120.168 120.300 0.144 0.000 2.333 85 Y HA 0.113 4.663 4.550 -0.001 0.000 0.287 85 Y C 0.420 176.297 175.900 -0.037 0.000 1.149 85 Y CA -0.695 57.437 58.100 0.053 0.000 1.193 85 Y CB 0.351 38.807 38.460 -0.007 0.000 1.175 85 Y HN -0.095 nan 8.280 nan 0.000 0.518 86 D N 0.358 120.847 120.400 0.148 0.000 2.256 86 D HA 0.438 5.077 4.640 -0.001 0.000 0.246 86 D C -0.979 175.307 176.300 -0.023 0.000 1.042 86 D CA -0.151 53.769 54.000 -0.133 0.000 0.841 86 D CB 2.076 42.901 40.800 0.041 0.000 1.223 86 D HN 0.100 nan 8.370 nan 0.000 0.470 87 F N -0.706 119.175 119.950 -0.115 0.000 2.770 87 F HA 0.512 5.039 4.527 -0.001 0.000 0.313 87 F C -1.887 173.961 175.800 0.081 0.000 1.154 87 F CA -1.331 56.683 58.000 0.023 0.000 0.923 87 F CB 0.935 39.947 39.000 0.020 0.000 1.301 87 F HN 0.224 nan 8.300 nan 0.000 0.449 88 I N 1.261 122.145 120.570 0.524 0.000 2.441 88 I HA 0.530 4.699 4.170 -0.001 0.000 0.295 88 I C -1.252 175.073 176.117 0.346 0.000 0.994 88 I CA -0.394 61.153 61.300 0.412 0.000 1.144 88 I CB 1.775 39.863 38.000 0.147 0.000 1.314 88 I HN 0.790 nan 8.210 nan 0.000 0.445 89 E N 7.228 127.622 120.200 0.323 0.000 2.218 89 E HA 0.402 4.751 4.350 -0.001 0.000 0.263 89 E C -1.502 175.240 176.600 0.237 0.000 0.879 89 E CA -0.709 55.832 56.400 0.234 0.000 0.762 89 E CB 2.326 32.182 29.700 0.260 0.000 1.166 89 E HN 0.374 nan 8.360 nan 0.000 0.415 90 I N 2.782 123.466 120.570 0.191 0.000 2.339 90 I HA 0.379 4.549 4.170 -0.001 0.000 0.290 90 I C 0.098 176.321 176.117 0.176 0.000 0.994 90 I CA -0.357 61.062 61.300 0.197 0.000 1.191 90 I CB 1.105 39.210 38.000 0.175 0.000 1.343 90 I HN 0.230 nan 8.210 nan 0.000 0.458 91 R N 2.691 123.332 120.500 0.235 0.000 2.778 91 R HA 0.392 4.732 4.340 -0.001 0.000 0.277 91 R C -0.937 175.425 176.300 0.103 0.000 0.977 91 R CA -0.992 55.191 56.100 0.138 0.000 0.950 91 R CB 1.705 32.063 30.300 0.097 0.000 1.165 91 R HN 0.468 nan 8.270 nan 0.000 0.474 92 D N 1.151 121.569 120.400 0.031 0.000 2.494 92 D HA 0.318 4.957 4.640 -0.001 0.000 0.217 92 D C 0.419 176.717 176.300 -0.004 0.000 1.153 92 D CA 0.564 54.573 54.000 0.015 0.000 0.954 92 D CB 0.644 41.436 40.800 -0.014 0.000 1.034 92 D HN 0.735 nan 8.370 nan 0.000 0.518 93 G N 3.401 112.215 108.800 0.024 0.000 3.154 93 G HA2 0.026 3.985 3.960 -0.001 0.000 0.114 93 G HA3 0.026 3.985 3.960 -0.001 0.000 0.114 93 G C -0.756 174.161 174.900 0.028 0.000 2.421 93 G CA 0.113 45.214 45.100 0.002 0.000 1.271 93 G HN 0.668 nan 8.290 nan 0.000 0.371 94 D N -1.105 119.304 120.400 0.015 0.000 2.383 94 D HA 0.554 5.194 4.640 -0.001 0.000 0.186 94 D C -0.274 175.986 176.300 -0.068 0.000 1.030 94 D CA 1.469 55.498 54.000 0.048 0.000 0.880 94 D CB 0.470 41.273 40.800 0.005 0.000 3.531 94 D HN 2.041 nan 8.370 nan 0.000 0.473 95 S N 2.285 117.899 115.700 -0.142 0.000 3.646 95 S HA -0.143 4.327 4.470 -0.001 0.000 0.756 95 S C 0.518 174.634 174.600 -0.806 0.000 1.075 95 S CA 0.457 58.433 58.200 -0.372 0.000 1.133 95 S CB -0.983 62.123 63.200 -0.156 0.000 0.627 95 S HN 0.641 nan 8.310 nan 0.000 0.435 96 E N 0.843 120.661 120.200 -0.637 0.000 2.427 96 E HA 0.013 4.363 4.350 -0.001 0.000 0.196 96 E C 1.413 177.848 176.600 -0.275 0.000 1.028 96 E CA 0.871 56.959 56.400 -0.520 0.000 0.864 96 E CB -0.171 29.403 29.700 -0.210 0.000 0.813 96 E HN 0.774 nan 8.360 nan 0.000 0.514 97 S N -0.125 115.445 115.700 -0.217 0.000 2.582 97 S HA 0.413 4.882 4.470 -0.001 0.000 0.234 97 S C 0.513 175.037 174.600 -0.126 0.000 0.961 97 S CA -0.525 57.595 58.200 -0.133 0.000 0.953 97 S CB 0.609 63.755 63.200 -0.091 0.000 0.800 97 S HN 0.166 nan 8.310 nan 0.000 0.471 98 A N 1.867 124.592 122.820 -0.159 0.000 2.304 98 A HA 0.464 4.783 4.320 -0.001 0.000 0.271 98 A C 0.010 177.539 177.584 -0.091 0.000 1.091 98 A CA -0.621 51.347 52.037 -0.114 0.000 0.812 98 A CB 0.130 19.067 19.000 -0.106 0.000 1.056 98 A HN 0.379 nan 8.150 nan 0.000 0.489 99 D N 0.316 120.672 120.400 -0.073 0.000 2.399 99 D HA 0.201 4.841 4.640 -0.001 0.000 0.241 99 D C -0.219 176.054 176.300 -0.044 0.000 1.133 99 D CA 0.024 53.986 54.000 -0.063 0.000 0.890 99 D CB 0.802 41.563 40.800 -0.065 0.000 1.201 99 D HN 0.323 nan 8.370 nan 0.000 0.432 100 L N 2.510 123.705 121.223 -0.047 0.000 2.342 100 L HA 0.067 4.407 4.340 -0.001 0.000 0.285 100 L C 0.783 177.636 176.870 -0.029 0.000 1.095 100 L CA 0.103 54.923 54.840 -0.034 0.000 0.843 100 L CB 0.011 42.033 42.059 -0.063 0.000 1.201 100 L HN 0.397 nan 8.230 nan 0.000 0.445 101 L N 4.782 126.006 121.223 0.002 0.000 2.291 101 L HA 0.277 4.617 4.340 -0.001 0.000 0.214 101 L C 1.069 177.951 176.870 0.019 0.000 1.120 101 L CA 0.627 55.473 54.840 0.010 0.000 0.799 101 L CB -0.568 41.511 42.059 0.034 0.000 0.925 101 L HN 0.842 nan 8.230 nan 0.000 0.446 102 G N -0.147 108.658 108.800 0.008 0.000 2.473 102 G HA2 0.265 4.224 3.960 -0.001 0.000 0.298 102 G HA3 0.265 4.224 3.960 -0.001 0.000 0.298 102 G C -1.838 172.949 174.900 -0.189 0.000 1.575 102 G CA -0.621 44.440 45.100 -0.066 0.000 0.846 102 G HN -0.176 nan 8.290 nan 0.000 0.585 103 K N 1.447 121.538 120.400 -0.515 0.000 2.502 103 K HA 0.501 4.821 4.320 -0.001 0.000 0.254 103 K C -1.125 175.128 176.600 -0.578 0.000 0.947 103 K CA -0.759 55.294 56.287 -0.390 0.000 0.834 103 K CB 0.802 33.087 32.500 -0.359 0.000 1.112 103 K HN 0.723 nan 8.250 nan 0.000 0.427 104 H N 1.431 120.514 119.070 0.021 0.000 2.747 104 H HA 0.524 5.079 4.556 -0.001 0.000 0.371 104 H C -0.449 175.041 175.328 0.270 0.000 1.161 104 H CA -0.764 55.325 56.048 0.069 0.000 1.167 104 H CB 2.022 31.725 29.762 -0.098 0.000 1.732 104 H HN 0.806 nan 8.280 nan 0.000 0.544 105 c N -0.023 118.820 118.600 0.404 0.000 3.284 105 c HA 0.818 5.388 4.570 -0.001 0.000 0.338 105 c C 0.530 174.832 174.090 0.354 0.000 1.237 105 c CA 0.362 56.923 56.329 0.387 0.000 1.276 105 c CB 0.998 43.686 42.510 0.296 0.000 1.601 105 c HN 1.235 nan 8.230 nan 0.000 0.494 106 G N 2.653 111.634 108.800 0.300 0.000 2.378 106 G HA2 -0.025 3.935 3.960 -0.001 0.000 0.198 106 G HA3 -0.025 3.935 3.960 -0.001 0.000 0.198 106 G C -0.441 174.634 174.900 0.290 0.000 1.223 106 G CA 0.096 45.344 45.100 0.247 0.000 1.088 106 G HN 1.117 nan 8.290 nan 0.000 0.530 107 N N 0.016 118.884 118.700 0.281 0.000 2.238 107 N HA 0.391 5.130 4.740 -0.001 0.000 0.222 107 N C -0.071 175.659 175.510 0.367 0.000 1.133 107 N CA -0.033 53.206 53.050 0.315 0.000 0.854 107 N CB 0.699 39.295 38.487 0.182 0.000 1.041 107 N HN 0.418 nan 8.380 nan 0.000 0.510 108 I N 1.341 122.112 120.570 0.336 0.000 2.354 108 I HA 0.382 4.552 4.170 -0.001 0.000 0.286 108 I C 0.087 175.960 176.117 -0.407 0.000 1.007 108 I CA -0.906 60.420 61.300 0.043 0.000 1.167 108 I CB 1.285 39.282 38.000 -0.005 0.000 1.320 108 I HN 0.004 nan 8.210 nan 0.000 0.458 109 A N 8.662 131.147 122.820 -0.559 0.000 2.483 109 A HA 0.458 4.778 4.320 -0.001 0.000 0.238 109 A C -2.360 174.638 177.584 -0.977 0.000 1.070 109 A CA -0.747 50.598 52.037 -1.153 0.000 0.770 109 A CB -0.447 18.290 19.000 -0.439 0.000 1.008 109 A HN 0.416 nan 8.150 nan 0.000 0.497 110 P HA 0.337 nan 4.420 nan 0.000 0.274 110 P C -2.457 174.501 177.300 -0.570 0.000 1.237 110 P CA -1.081 61.298 63.100 -1.202 0.000 0.793 110 P CB 0.039 30.662 31.700 -1.795 0.000 0.977 111 P HA 0.133 nan 4.420 nan 0.000 0.278 111 P C -0.652 176.634 177.300 -0.023 0.000 1.266 111 P CA -0.264 62.764 63.100 -0.121 0.000 0.807 111 P CB 0.126 31.772 31.700 -0.090 0.000 1.094 112 T N 1.104 115.669 114.554 0.018 0.000 2.905 112 T HA 0.117 4.467 4.350 -0.001 0.000 0.299 112 T C 0.559 175.279 174.700 0.033 0.000 1.024 112 T CA 0.619 62.748 62.100 0.047 0.000 1.151 112 T CB -0.649 68.242 68.868 0.038 0.000 0.987 112 T HN 0.190 nan 8.240 nan 0.000 0.535 113 I N 4.186 124.790 120.570 0.056 0.000 2.355 113 I HA 0.388 4.557 4.170 -0.001 0.000 0.288 113 I C -0.059 176.043 176.117 -0.024 0.000 0.999 113 I CA -0.567 60.750 61.300 0.028 0.000 1.163 113 I CB 1.024 39.073 38.000 0.083 0.000 1.316 113 I HN 0.495 nan 8.210 nan 0.000 0.454 114 I N 5.585 126.097 120.570 -0.096 0.000 2.392 114 I HA 0.241 4.410 4.170 -0.001 0.000 0.295 114 I C 0.746 176.770 176.117 -0.156 0.000 0.985 114 I CA -0.255 60.919 61.300 -0.211 0.000 1.221 114 I CB 1.794 39.495 38.000 -0.498 0.000 1.366 114 I HN 0.609 nan 8.210 nan 0.000 0.467 115 S N 3.104 118.732 115.700 -0.119 0.000 2.608 115 S HA 0.146 4.615 4.470 -0.001 0.000 0.261 115 S C 0.969 175.527 174.600 -0.070 0.000 1.314 115 S CA 0.031 58.198 58.200 -0.056 0.000 0.992 115 S CB 1.292 64.485 63.200 -0.012 0.000 0.935 115 S HN 0.748 nan 8.310 nan 0.000 0.564 116 S N 0.176 115.858 115.700 -0.029 0.000 2.505 116 S HA 0.382 4.852 4.470 -0.001 0.000 0.216 116 S C 0.948 175.574 174.600 0.044 0.000 1.018 116 S CA 0.013 58.209 58.200 -0.006 0.000 0.911 116 S CB -0.501 62.690 63.200 -0.016 0.000 0.818 116 S HN 1.072 nan 8.310 nan 0.000 0.497 117 G N 1.394 110.220 108.800 0.043 0.000 2.890 117 G HA2 0.462 4.422 3.960 -0.001 0.000 0.189 117 G HA3 0.462 4.422 3.960 -0.001 0.000 0.189 117 G C 0.419 175.370 174.900 0.085 0.000 1.342 117 G CA 0.114 45.263 45.100 0.082 0.000 1.026 117 G HN 0.514 nan 8.290 nan 0.000 0.579 118 S N -1.102 114.651 115.700 0.089 0.000 2.572 118 S HA 0.433 4.903 4.470 -0.001 0.000 0.228 118 S C 0.468 175.121 174.600 0.089 0.000 0.963 118 S CA -0.170 58.088 58.200 0.096 0.000 0.939 118 S CB -0.365 62.903 63.200 0.113 0.000 0.804 118 S HN 0.362 nan 8.310 nan 0.000 0.480 119 M N 1.044 120.681 119.600 0.063 0.000 2.470 119 M HA 0.553 5.033 4.480 -0.001 0.000 0.285 119 M C -1.584 174.753 176.300 0.062 0.000 1.213 119 M CA -0.448 54.895 55.300 0.071 0.000 0.901 119 M CB 2.354 34.976 32.600 0.036 0.000 1.718 119 M HN 0.039 nan 8.290 nan 0.000 0.469 120 L N 1.106 122.377 121.223 0.080 0.000 2.376 120 L HA 0.648 4.987 4.340 -0.001 0.000 0.258 120 L C -1.801 175.181 176.870 0.186 0.000 1.013 120 L CA -0.873 54.030 54.840 0.105 0.000 0.822 120 L CB 3.054 45.151 42.059 0.063 0.000 1.388 120 L HN 0.732 nan 8.230 nan 0.000 0.413 121 Y N 2.358 122.701 120.300 0.072 0.000 2.361 121 Y HA 0.681 5.231 4.550 -0.001 0.000 0.337 121 Y C -1.182 174.814 175.900 0.159 0.000 0.965 121 Y CA -0.610 57.560 58.100 0.118 0.000 1.091 121 Y CB 1.338 39.852 38.460 0.090 0.000 1.182 121 Y HN 0.351 nan 8.280 nan 0.000 0.450 122 I N 6.380 126.905 120.570 -0.076 0.000 2.474 122 I HA 0.468 4.638 4.170 -0.001 0.000 0.294 122 I C -1.035 175.097 176.117 0.025 0.000 1.005 122 I CA -0.850 60.494 61.300 0.072 0.000 1.113 122 I CB 2.063 40.140 38.000 0.129 0.000 1.289 122 I HN 0.548 nan 8.210 nan 0.000 0.436 123 K N 5.693 126.203 120.400 0.183 0.000 2.482 123 K HA 0.496 4.816 4.320 -0.001 0.000 0.251 123 K C -1.911 174.946 176.600 0.428 0.000 0.936 123 K CA -0.510 55.924 56.287 0.245 0.000 0.791 123 K CB 1.751 34.389 32.500 0.229 0.000 1.213 123 K HN 0.420 nan 8.250 nan 0.000 0.428 124 F N 2.706 122.823 119.950 0.278 0.000 2.458 124 F HA 0.508 5.035 4.527 -0.001 0.000 0.336 124 F C -0.982 174.801 175.800 -0.029 0.000 1.114 124 F CA -0.142 57.975 58.000 0.196 0.000 0.987 124 F CB 1.959 41.223 39.000 0.441 0.000 1.130 124 F HN 0.438 nan 8.300 nan 0.000 0.458 125 T N 3.929 117.911 114.554 -0.953 0.000 2.841 125 T HA 0.486 4.836 4.350 -0.001 0.000 0.283 125 T C -1.119 172.960 174.700 -1.036 0.000 1.000 125 T CA -0.728 60.819 62.100 -0.922 0.000 0.977 125 T CB 1.506 69.682 68.868 -1.153 0.000 0.979 125 T HN 0.527 nan 8.240 nan 0.000 0.446 126 S N 2.652 118.022 115.700 -0.550 0.000 2.594 126 S HA 0.436 4.906 4.470 -0.001 0.000 0.296 126 S C -0.867 173.691 174.600 -0.071 0.000 1.124 126 S CA -0.956 57.094 58.200 -0.249 0.000 1.011 126 S CB 0.624 63.821 63.200 -0.006 0.000 1.016 126 S HN 0.817 nan 8.310 nan 0.000 0.485 127 D N 2.748 123.142 120.400 -0.010 0.000 2.358 127 D HA 0.002 4.641 4.640 -0.001 0.000 0.244 127 D C -0.281 176.056 176.300 0.062 0.000 1.163 127 D CA -0.370 53.629 54.000 -0.001 0.000 0.945 127 D CB 0.357 41.152 40.800 -0.008 0.000 1.152 127 D HN 0.672 nan 8.370 nan 0.000 0.451 128 Y N 0.253 120.455 120.300 -0.163 0.000 2.724 128 Y HA 0.348 4.898 4.550 -0.001 0.000 0.354 128 Y C -0.384 175.450 175.900 -0.111 0.000 1.270 128 Y CA -0.275 57.747 58.100 -0.129 0.000 1.902 128 Y CB -0.592 37.748 38.460 -0.199 0.000 1.981 128 Y HN 0.631 nan 8.280 nan 0.000 0.428 129 A N 3.581 126.327 122.820 -0.124 0.000 2.372 129 A HA 0.436 4.756 4.320 -0.001 0.000 0.309 129 A C -0.503 177.023 177.584 -0.097 0.000 1.013 129 A CA -0.812 51.112 52.037 -0.188 0.000 0.978 129 A CB 0.395 19.251 19.000 -0.240 0.000 1.174 129 A HN 0.712 nan 8.150 nan 0.000 0.357 130 R N 0.023 120.470 120.500 -0.088 0.000 1.138 130 R HA -0.148 4.191 4.340 -0.001 0.000 0.413 130 R C -0.163 176.109 176.300 -0.047 0.000 1.362 130 R CA 1.493 57.560 56.100 -0.056 0.000 1.394 130 R CB -0.283 30.005 30.300 -0.020 0.000 3.813 130 R HN 0.964 nan 8.270 nan 0.000 0.482 131 Q N -0.627 119.080 119.800 -0.154 0.000 3.078 131 Q HA 0.860 5.199 4.340 -0.001 0.000 0.348 131 Q C -0.197 175.582 176.000 -0.368 0.000 0.861 131 Q CA -0.317 55.218 55.803 -0.446 0.000 0.822 131 Q CB 1.841 30.050 28.738 -0.881 0.000 1.395 131 Q HN 0.750 nan 8.270 nan 0.000 0.497 132 G N -1.318 107.124 108.800 -0.596 0.000 2.606 132 G HA2 0.520 4.479 3.960 -0.001 0.000 0.300 132 G HA3 0.520 4.479 3.960 -0.001 0.000 0.300 132 G C -0.381 174.489 174.900 -0.050 0.000 1.360 132 G CA -0.198 44.812 45.100 -0.149 0.000 0.783 132 G HN 0.573 nan 8.290 nan 0.000 0.484 133 A N -1.387 121.472 122.820 0.066 0.000 1.892 133 A HA 0.428 4.748 4.320 -0.001 0.000 0.218 133 A C 2.032 179.796 177.584 0.301 0.000 1.188 133 A CA 2.954 55.039 52.037 0.079 0.000 0.631 133 A CB -0.965 18.055 19.000 0.034 0.000 0.822 133 A HN 2.807 nan 8.150 nan 0.000 0.447 134 G N -1.970 107.077 108.800 0.411 0.000 2.460 134 G HA2 0.257 4.217 3.960 -0.001 0.000 0.207 134 G HA3 0.257 4.217 3.960 -0.001 0.000 0.207 134 G C -0.179 174.854 174.900 0.222 0.000 1.170 134 G CA 0.067 45.397 45.100 0.383 0.000 1.151 134 G HN 1.865 nan 8.290 nan 0.000 0.575 135 F N -0.497 119.398 119.950 -0.092 0.000 2.654 135 F HA 0.879 5.405 4.527 -0.001 0.000 0.308 135 F C -0.456 174.883 175.800 -0.769 0.000 1.108 135 F CA -0.396 57.473 58.000 -0.218 0.000 0.957 135 F CB 1.834 40.906 39.000 0.120 0.000 1.309 135 F HN 1.333 nan 8.300 nan 0.000 0.446 136 S N 5.061 120.447 115.700 -0.523 0.000 2.557 136 S HA 0.838 5.308 4.470 -0.001 0.000 0.291 136 S C -1.463 173.137 174.600 -0.000 0.000 1.116 136 S CA -0.669 57.266 58.200 -0.441 0.000 0.992 136 S CB 1.304 64.167 63.200 -0.561 0.000 1.028 136 S HN 1.278 nan 8.310 nan 0.000 0.484 137 L N 2.209 123.366 121.223 -0.109 0.000 2.309 137 L HA 0.765 5.105 4.340 -0.001 0.000 0.261 137 L C -0.963 175.644 176.870 -0.439 0.000 1.021 137 L CA -0.985 53.607 54.840 -0.413 0.000 0.823 137 L CB 1.977 43.426 42.059 -1.015 0.000 1.366 137 L HN 0.850 nan 8.230 nan 0.000 0.423 138 R N 1.557 121.714 120.500 -0.571 0.000 2.494 138 R HA 0.513 4.852 4.340 -0.001 0.000 0.305 138 R C -1.707 174.283 176.300 -0.516 0.000 0.959 138 R CA -0.465 55.148 56.100 -0.812 0.000 0.864 138 R CB 1.787 31.567 30.300 -0.868 0.000 1.159 138 R HN 0.771 nan 8.270 nan 0.000 0.446 139 Y N 0.854 120.901 120.300 -0.421 0.000 2.420 139 Y HA 0.625 5.175 4.550 -0.001 0.000 0.334 139 Y C -0.797 174.980 175.900 -0.204 0.000 1.094 139 Y CA -1.027 56.912 58.100 -0.269 0.000 1.126 139 Y CB 1.195 39.522 38.460 -0.223 0.000 1.217 139 Y HN 0.694 nan 8.280 nan 0.000 0.462 140 E N 2.277 122.535 120.200 0.096 0.000 2.416 140 E HA 0.434 4.783 4.350 -0.001 0.000 0.280 140 E C -1.572 175.086 176.600 0.096 0.000 1.055 140 E CA -1.290 55.154 56.400 0.074 0.000 0.825 140 E CB 1.585 31.265 29.700 -0.035 0.000 1.312 140 E HN 0.787 nan 8.360 nan 0.000 0.452 141 I N -0.638 119.978 120.570 0.077 0.000 2.556 141 I HA 0.387 4.557 4.170 -0.001 0.000 0.284 141 I C -0.795 175.391 176.117 0.115 0.000 1.114 141 I CA 0.063 61.419 61.300 0.093 0.000 1.418 141 I CB 0.137 38.175 38.000 0.063 0.000 1.394 141 I HN 0.526 nan 8.210 nan 0.000 0.552 142 F N 6.394 126.353 119.950 0.014 0.000 2.415 142 F HA 0.527 5.054 4.527 -0.001 0.000 0.348 142 F C 0.187 176.000 175.800 0.023 0.000 1.119 142 F CA -0.619 57.389 58.000 0.014 0.000 1.069 142 F CB 0.745 39.755 39.000 0.016 0.000 1.124 142 F HN 0.563 nan 8.300 nan 0.000 0.472 143 K N 4.079 124.386 120.400 -0.155 0.000 2.211 143 K HA 0.200 4.520 4.320 -0.001 0.000 0.275 143 K C 0.418 177.038 176.600 0.033 0.000 1.024 143 K CA -0.295 55.978 56.287 -0.024 0.000 0.887 143 K CB 1.793 34.236 32.500 -0.094 0.000 1.084 143 K HN 0.769 nan 8.250 nan 0.000 0.463 144 T N 1.258 115.925 114.554 0.188 0.000 3.034 144 T HA 0.196 4.545 4.350 -0.001 0.000 0.248 144 T C 0.979 175.760 174.700 0.135 0.000 1.040 144 T CA 1.024 63.269 62.100 0.241 0.000 1.107 144 T CB 0.172 69.183 68.868 0.238 0.000 0.932 144 T HN 0.924 nan 8.240 nan 0.000 0.474 145 G N 0.704 109.562 108.800 0.096 0.000 2.617 145 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.197 145 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.197 145 G C 0.415 175.373 174.900 0.096 0.000 1.017 145 G CA 0.379 45.529 45.100 0.083 0.000 0.713 145 G HN 0.677 nan 8.290 nan 0.000 0.481 146 S N 0.951 116.710 115.700 0.099 0.000 2.550 146 S HA 0.335 4.804 4.470 -0.001 0.000 0.285 146 S C 0.273 174.914 174.600 0.069 0.000 1.326 146 S CA 0.857 59.113 58.200 0.093 0.000 1.037 146 S CB 0.525 63.777 63.200 0.086 0.000 0.838 146 S HN 0.429 nan 8.310 nan 0.000 0.519 147 E N 1.503 121.744 120.200 0.068 0.000 2.191 147 E HA 0.199 4.549 4.350 -0.001 0.000 0.274 147 E C -1.185 175.439 176.600 0.041 0.000 0.948 147 E CA -0.705 55.722 56.400 0.044 0.000 0.802 147 E CB 1.085 30.812 29.700 0.046 0.000 1.137 147 E HN 0.595 nan 8.360 nan 0.000 0.397 148 D N 2.721 123.132 120.400 0.019 0.000 2.411 148 D HA 0.035 4.674 4.640 -0.001 0.000 0.225 148 D C 0.253 176.550 176.300 -0.005 0.000 1.156 148 D CA -0.549 53.448 54.000 -0.005 0.000 0.874 148 D CB 0.229 41.025 40.800 -0.007 0.000 1.034 148 D HN 0.505 nan 8.370 nan 0.000 0.502 149 c N 2.378 120.975 118.600 -0.004 0.000 2.525 149 c HA 0.424 4.994 4.570 -0.001 0.000 0.313 149 c C 0.639 174.732 174.090 0.005 0.000 1.311 149 c CA -0.824 55.519 56.329 0.022 0.000 1.725 149 c CB -1.722 40.832 42.510 0.073 0.000 1.926 149 c HN 0.376 nan 8.230 nan 0.000 0.595 150 S N 1.947 117.594 115.700 -0.088 0.000 2.558 150 S HA 0.271 4.740 4.470 -0.001 0.000 0.288 150 S C -0.142 174.446 174.600 -0.019 0.000 1.318 150 S CA 0.679 58.793 58.200 -0.142 0.000 1.056 150 S CB 0.301 63.423 63.200 -0.130 0.000 0.853 150 S HN 0.758 nan 8.310 nan 0.000 0.505 151 K N 1.826 122.258 120.400 0.053 0.000 2.502 151 K HA 0.383 4.703 4.320 -0.001 0.000 0.257 151 K C -1.208 175.206 176.600 -0.310 0.000 0.938 151 K CA -0.909 55.286 56.287 -0.153 0.000 0.819 151 K CB 1.299 33.627 32.500 -0.287 0.000 1.333 151 K HN 0.409 nan 8.250 nan 0.000 0.434 152 N N 1.310 119.781 118.700 -0.381 0.000 2.487 152 N HA 0.433 5.173 4.740 -0.001 0.000 0.292 152 N C -1.191 173.982 175.510 -0.563 0.000 1.108 152 N CA -0.212 52.649 53.050 -0.315 0.000 0.956 152 N CB 0.614 39.024 38.487 -0.128 0.000 1.176 152 N HN 0.297 nan 8.380 nan 0.000 0.484 153 F N -0.170 119.738 119.950 -0.070 0.000 2.449 153 F HA 0.343 4.869 4.527 -0.001 0.000 0.342 153 F C 1.337 177.095 175.800 -0.071 0.000 1.127 153 F CA -0.573 57.354 58.000 -0.121 0.000 0.975 153 F CB 1.855 40.599 39.000 -0.428 0.000 1.146 153 F HN 0.353 nan 8.300 nan 0.000 0.444 154 T N -0.592 114.062 114.554 0.166 0.000 2.999 154 T HA 0.026 4.375 4.350 -0.001 0.000 0.247 154 T C 0.921 175.730 174.700 0.181 0.000 1.012 154 T CA 0.122 62.297 62.100 0.126 0.000 1.048 154 T CB 0.255 69.162 68.868 0.065 0.000 1.020 154 T HN 0.412 nan 8.240 nan 0.000 0.478 155 S N 1.589 117.434 115.700 0.241 0.000 2.593 155 S HA 0.181 4.650 4.470 -0.001 0.000 0.269 155 S C -1.552 173.137 174.600 0.149 0.000 1.334 155 S CA -1.373 56.925 58.200 0.164 0.000 1.015 155 S CB 1.001 64.279 63.200 0.130 0.000 0.912 155 S HN 0.031 nan 8.310 nan 0.000 0.541 156 P HA -0.046 nan 4.420 nan 0.000 0.215 156 P C -0.209 176.979 177.300 -0.185 0.000 1.153 156 P CA 1.075 64.167 63.100 -0.013 0.000 0.853 156 P CB 0.006 31.695 31.700 -0.019 0.000 0.788 157 N N -1.720 116.775 118.700 -0.342 0.000 2.277 157 N HA 0.526 5.265 4.740 -0.001 0.000 0.286 157 N C -0.735 174.333 175.510 -0.737 0.000 1.140 157 N CA -0.640 51.981 53.050 -0.715 0.000 0.799 157 N CB 2.512 40.741 38.487 -0.431 0.000 1.596 157 N HN 0.053 nan 8.380 nan 0.000 0.473 158 G N -0.171 107.992 108.800 -1.061 0.000 2.451 158 G HA2 0.382 4.342 3.960 -0.001 0.000 0.292 158 G HA3 0.382 4.342 3.960 -0.001 0.000 0.292 158 G C -1.718 172.936 174.900 -0.410 0.000 1.427 158 G CA -0.572 44.232 45.100 -0.492 0.000 0.792 158 G HN 0.462 nan 8.290 nan 0.000 0.498 159 T N 1.065 115.485 114.554 -0.224 0.000 2.799 159 T HA 0.560 4.910 4.350 -0.001 0.000 0.286 159 T C 0.222 174.733 174.700 -0.314 0.000 0.973 159 T CA 0.035 61.979 62.100 -0.261 0.000 1.035 159 T CB 0.774 69.512 68.868 -0.216 0.000 0.932 159 T HN 0.388 nan 8.240 nan 0.000 0.469 160 I N 4.230 124.513 120.570 -0.477 0.000 2.339 160 I HA 0.467 4.637 4.170 -0.001 0.000 0.290 160 I C 0.330 176.064 176.117 -0.638 0.000 0.994 160 I CA -0.588 60.305 61.300 -0.679 0.000 1.191 160 I CB 0.973 38.471 38.000 -0.838 0.000 1.343 160 I HN 0.760 nan 8.210 nan 0.000 0.458 161 E N 3.513 123.214 120.200 -0.831 0.000 2.445 161 E HA 0.468 4.817 4.350 -0.001 0.000 0.279 161 E C -1.255 174.697 176.600 -1.080 0.000 1.018 161 E CA -1.029 54.654 56.400 -1.194 0.000 0.816 161 E CB 1.176 30.390 29.700 -0.810 0.000 1.356 161 E HN 0.360 nan 8.360 nan 0.000 0.462 162 S N 1.476 116.489 115.700 -1.146 0.000 2.566 162 S HA 0.147 4.617 4.470 -0.001 0.000 0.280 162 S C -2.209 172.297 174.600 -0.157 0.000 1.343 162 S CA -0.614 57.346 58.200 -0.400 0.000 1.036 162 S CB -0.355 62.786 63.200 -0.097 0.000 0.866 162 S HN 0.372 nan 8.310 nan 0.000 0.526 163 P HA 0.229 nan 4.420 nan 0.000 0.268 163 P C 1.007 178.244 177.300 -0.107 0.000 1.204 163 P CA 0.688 63.640 63.100 -0.247 0.000 0.768 163 P CB 0.185 31.433 31.700 -0.754 0.000 0.842 164 G N 2.342 111.119 108.800 -0.039 0.000 2.212 164 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.266 164 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.266 164 G C 0.205 175.148 174.900 0.073 0.000 0.978 164 G CA -0.208 44.933 45.100 0.069 0.000 0.632 164 G HN 0.566 nan 8.290 nan 0.000 0.537 165 F N 3.193 123.108 119.950 -0.060 0.000 2.635 165 F HA 0.349 4.875 4.527 -0.001 0.000 0.379 165 F C 0.149 175.920 175.800 -0.049 0.000 1.094 165 F CA -0.425 57.534 58.000 -0.069 0.000 1.300 165 F CB 0.780 39.682 39.000 -0.162 0.000 1.035 165 F HN 0.011 nan 8.300 nan 0.000 0.581 166 P HA -0.040 nan 4.420 nan 0.000 0.245 166 P C -0.846 176.044 177.300 -0.684 0.000 1.212 166 P CA 0.577 62.735 63.100 -1.570 0.000 0.774 166 P CB -0.159 31.002 31.700 -0.898 0.000 0.999 167 E N -0.547 119.475 120.200 -0.297 0.000 2.303 167 E HA 0.497 4.847 4.350 -0.001 0.000 0.254 167 E C -0.594 176.018 176.600 0.021 0.000 0.979 167 E CA -1.359 54.976 56.400 -0.108 0.000 0.843 167 E CB 0.933 30.595 29.700 -0.063 0.000 1.245 167 E HN -0.344 nan 8.360 nan 0.000 0.413 168 K N 0.756 121.188 120.400 0.055 0.000 2.276 168 K HA 0.094 4.414 4.320 -0.001 0.000 0.283 168 K C -1.636 175.075 176.600 0.184 0.000 1.044 168 K CA -0.231 56.127 56.287 0.119 0.000 0.944 168 K CB 0.285 32.825 32.500 0.067 0.000 1.012 168 K HN 0.570 nan 8.250 nan 0.000 0.472 169 Y N 6.894 127.254 120.300 0.100 0.000 2.404 169 Y HA 0.259 4.808 4.550 -0.001 0.000 0.344 169 Y C -1.735 174.231 175.900 0.111 0.000 0.995 169 Y CA -2.489 55.687 58.100 0.126 0.000 1.201 169 Y CB 0.950 39.511 38.460 0.169 0.000 1.151 169 Y HN 0.578 nan 8.280 nan 0.000 0.517 170 P HA 0.130 nan 4.420 nan 0.000 0.230 170 P C -1.328 175.614 177.300 -0.596 0.000 1.791 170 P CA 0.818 63.744 63.100 -0.290 0.000 1.020 170 P CB -0.076 31.460 31.700 -0.273 0.000 1.977 171 H N -0.029 118.905 119.070 -0.226 0.000 3.094 171 H HA 0.187 4.743 4.556 -0.001 0.000 0.335 171 H C -0.105 175.203 175.328 -0.033 0.000 1.254 171 H CA -0.654 55.289 56.048 -0.176 0.000 1.240 171 H CB 1.382 30.945 29.762 -0.331 0.000 1.936 171 H HN 0.087 nan 8.280 nan 0.000 0.536 172 N N 0.989 119.760 118.700 0.118 0.000 2.415 172 N HA 0.318 5.057 4.740 -0.001 0.000 0.248 172 N C -0.279 175.298 175.510 0.110 0.000 1.271 172 N CA 0.151 53.253 53.050 0.087 0.000 0.913 172 N CB 0.601 39.132 38.487 0.074 0.000 1.129 172 N HN 0.297 nan 8.380 nan 0.000 0.444 173 L N 0.163 121.396 121.223 0.018 0.000 2.359 173 L HA 0.537 4.877 4.340 -0.001 0.000 0.256 173 L C -1.074 175.687 176.870 -0.182 0.000 1.026 173 L CA -0.787 54.035 54.840 -0.030 0.000 0.828 173 L CB 2.281 44.344 42.059 0.007 0.000 1.406 173 L HN 0.294 nan 8.230 nan 0.000 0.413 174 D N 1.184 121.474 120.400 -0.182 0.000 2.452 174 D HA 0.367 5.006 4.640 -0.001 0.000 0.226 174 D C -1.679 174.469 176.300 -0.253 0.000 1.366 174 D CA -0.040 53.796 54.000 -0.273 0.000 0.986 174 D CB 1.901 42.677 40.800 -0.040 0.000 1.420 174 D HN 0.406 nan 8.370 nan 0.000 0.583 175 c N 1.134 119.508 118.600 -0.378 0.000 2.783 175 c HA 0.593 5.163 4.570 -0.001 0.000 0.312 175 c C 0.364 174.182 174.090 -0.453 0.000 1.182 175 c CA -0.631 55.477 56.329 -0.368 0.000 1.432 175 c CB 2.010 44.266 42.510 -0.424 0.000 1.933 175 c HN 0.435 nan 8.230 nan 0.000 0.473 176 T N 2.314 116.647 114.554 -0.369 0.000 2.744 176 T HA 0.540 4.890 4.350 -0.001 0.000 0.291 176 T C -0.813 173.707 174.700 -0.300 0.000 0.957 176 T CA 0.155 62.106 62.100 -0.249 0.000 1.002 176 T CB -0.015 68.802 68.868 -0.086 0.000 0.919 176 T HN 0.426 nan 8.240 nan 0.000 0.468 177 F N 2.881 122.952 119.950 0.202 0.000 2.388 177 F HA 0.447 4.974 4.527 -0.001 0.000 0.358 177 F C 1.077 177.015 175.800 0.230 0.000 1.122 177 F CA -1.028 57.150 58.000 0.296 0.000 1.056 177 F CB 1.495 40.726 39.000 0.385 0.000 1.155 177 F HN 0.383 nan 8.300 nan 0.000 0.461 178 T N 2.960 117.731 114.554 0.362 0.000 2.829 178 T HA 0.703 5.053 4.350 -0.001 0.000 0.280 178 T C -0.618 174.221 174.700 0.231 0.000 0.999 178 T CA -0.641 61.596 62.100 0.228 0.000 0.983 178 T CB 0.997 69.934 68.868 0.116 0.000 0.968 178 T HN 0.384 nan 8.240 nan 0.000 0.446 179 I N 3.687 124.310 120.570 0.089 0.000 2.385 179 I HA 0.448 4.617 4.170 -0.001 0.000 0.294 179 I C -0.284 175.841 176.117 0.013 0.000 0.988 179 I CA -0.779 60.497 61.300 -0.041 0.000 1.265 179 I CB 1.291 39.157 38.000 -0.223 0.000 1.388 179 I HN 0.485 nan 8.210 nan 0.000 0.480 180 L N 6.091 127.327 121.223 0.022 0.000 2.362 180 L HA 0.813 5.153 4.340 -0.001 0.000 0.275 180 L C -0.370 176.527 176.870 0.044 0.000 0.998 180 L CA -0.650 54.210 54.840 0.034 0.000 0.820 180 L CB 1.849 43.926 42.059 0.031 0.000 1.270 180 L HN 0.667 nan 8.230 nan 0.000 0.415 181 A N 3.157 126.001 122.820 0.042 0.000 2.371 181 A HA 0.643 4.963 4.320 -0.001 0.000 0.311 181 A C -0.681 176.928 177.584 0.041 0.000 1.068 181 A CA -0.732 51.335 52.037 0.051 0.000 0.744 181 A CB 1.333 20.361 19.000 0.048 0.000 1.239 181 A HN 0.695 nan 8.150 nan 0.000 0.435 182 K N 2.227 122.655 120.400 0.047 0.000 2.380 182 K HA 0.289 4.608 4.320 -0.001 0.000 0.267 182 K C -2.213 174.411 176.600 0.041 0.000 0.990 182 K CA -0.890 55.422 56.287 0.042 0.000 0.946 182 K CB 0.231 32.758 32.500 0.046 0.000 0.937 182 K HN 0.509 nan 8.250 nan 0.000 0.491 183 P HA -0.007 nan 4.420 nan 0.000 0.269 183 P C -0.754 176.564 177.300 0.030 0.000 1.215 183 P CA 0.089 63.203 63.100 0.023 0.000 0.780 183 P CB 0.670 32.383 31.700 0.021 0.000 0.898 184 K N -1.477 118.919 120.400 -0.006 0.000 3.509 184 K HA -0.088 4.232 4.320 -0.001 0.000 0.302 184 K C -0.363 176.206 176.600 -0.052 0.000 1.355 184 K CA 0.819 57.077 56.287 -0.048 0.000 0.953 184 K CB -0.872 31.622 32.500 -0.010 0.000 1.321 184 K HN 0.456 nan 8.250 nan 0.000 0.461 185 M N 1.450 121.050 119.600 -0.000 0.000 2.181 185 M HA 0.248 4.727 4.480 -0.001 0.000 0.323 185 M C -0.227 176.065 176.300 -0.013 0.000 1.004 185 M CA -0.250 55.063 55.300 0.023 0.000 0.941 185 M CB 1.517 34.161 32.600 0.072 0.000 1.579 185 M HN 0.071 nan 8.290 nan 0.000 0.427 186 E N 3.156 123.335 120.200 -0.034 0.000 2.313 186 E HA 0.414 4.763 4.350 -0.001 0.000 0.276 186 E C -1.034 175.560 176.600 -0.011 0.000 1.031 186 E CA -0.330 56.037 56.400 -0.055 0.000 0.857 186 E CB 1.137 30.788 29.700 -0.082 0.000 1.040 186 E HN 0.581 nan 8.360 nan 0.000 0.408 187 I N 5.592 126.148 120.570 -0.023 0.000 2.331 187 I HA 0.252 4.422 4.170 -0.001 0.000 0.292 187 I C -0.197 175.934 176.117 0.024 0.000 0.998 187 I CA -0.436 60.883 61.300 0.032 0.000 1.267 187 I CB 0.975 38.989 38.000 0.023 0.000 1.386 187 I HN 0.390 nan 8.210 nan 0.000 0.476 188 I N 7.276 127.900 120.570 0.091 0.000 2.389 188 I HA 0.327 4.497 4.170 -0.001 0.000 0.288 188 I C -0.859 175.334 176.117 0.127 0.000 0.999 188 I CA -0.632 60.724 61.300 0.092 0.000 1.129 188 I CB 1.795 39.854 38.000 0.099 0.000 1.288 188 I HN 0.335 nan 8.210 nan 0.000 0.444 189 L N 7.868 129.125 121.223 0.056 0.000 2.341 189 L HA 0.541 4.880 4.340 -0.001 0.000 0.278 189 L C -0.812 176.018 176.870 -0.067 0.000 1.005 189 L CA 0.030 54.842 54.840 -0.046 0.000 0.818 189 L CB 1.551 43.557 42.059 -0.088 0.000 1.259 189 L HN 0.691 nan 8.230 nan 0.000 0.418 190 Q N 3.501 123.204 119.800 -0.161 0.000 2.315 190 Q HA 0.502 4.842 4.340 -0.001 0.000 0.273 190 Q C -1.745 174.135 176.000 -0.200 0.000 1.053 190 Q CA -0.665 55.093 55.803 -0.074 0.000 0.817 190 Q CB 1.758 30.514 28.738 0.029 0.000 1.326 190 Q HN 0.442 nan 8.270 nan 0.000 0.423 191 F N 1.936 121.845 119.950 -0.068 0.000 2.420 191 F HA 0.290 4.816 4.527 -0.001 0.000 0.342 191 F C 0.562 176.347 175.800 -0.025 0.000 1.113 191 F CA -0.670 57.293 58.000 -0.062 0.000 1.059 191 F CB 1.318 40.239 39.000 -0.131 0.000 1.128 191 F HN 0.567 nan 8.300 nan 0.000 0.475 192 L N 3.157 124.459 121.223 0.131 0.000 2.130 192 L HA 0.234 4.573 4.340 -0.001 0.000 0.200 192 L C 0.293 177.253 176.870 0.149 0.000 1.075 192 L CA 1.045 55.941 54.840 0.094 0.000 0.768 192 L CB -0.082 41.993 42.059 0.027 0.000 0.933 192 L HN 0.362 nan 8.230 nan 0.000 0.451 193 I N -1.804 118.876 120.570 0.184 0.000 2.686 193 I HA 0.248 4.417 4.170 -0.001 0.000 0.295 193 I C -1.681 174.650 176.117 0.358 0.000 1.114 193 I CA -0.605 60.845 61.300 0.250 0.000 1.038 193 I CB 2.949 41.138 38.000 0.315 0.000 1.238 193 I HN -0.188 nan 8.210 nan 0.000 0.420 194 F N 4.725 124.764 119.950 0.147 0.000 2.671 194 F HA 0.383 4.909 4.527 -0.001 0.000 0.332 194 F C -1.151 174.733 175.800 0.140 0.000 1.189 194 F CA -0.544 57.531 58.000 0.125 0.000 0.988 194 F CB 1.172 40.140 39.000 -0.053 0.000 1.258 194 F HN 0.325 nan 8.300 nan 0.000 0.471 195 D N 6.653 126.890 120.400 -0.271 0.000 2.552 195 D HA 0.393 5.033 4.640 -0.001 0.000 0.285 195 D C -1.205 175.001 176.300 -0.157 0.000 1.206 195 D CA 0.111 54.042 54.000 -0.115 0.000 0.826 195 D CB 0.436 41.276 40.800 0.067 0.000 1.179 195 D HN 0.395 nan 8.370 nan 0.000 0.508 209 K N -0.491 119.838 120.400 -0.118 0.000 2.168 209 K HA 0.156 4.476 4.320 -0.001 0.000 0.201 209 K C 1.244 177.853 176.600 0.015 0.000 1.049 209 K CA 1.139 57.296 56.287 -0.217 0.000 0.974 209 K CB 0.044 32.337 32.500 -0.346 0.000 0.792 209 K HN 0.610 nan 8.250 nan 0.000 0.463 210 Y N 1.338 121.747 120.300 0.182 0.000 2.130 210 Y HA -0.065 4.485 4.550 -0.001 0.000 0.287 210 Y C 0.506 176.642 175.900 0.394 0.000 1.124 210 Y CA 0.128 58.374 58.100 0.243 0.000 1.118 210 Y CB 0.330 38.878 38.460 0.147 0.000 0.994 210 Y HN -0.027 nan 8.280 nan 0.000 0.497 211 D N -1.568 119.161 120.400 0.548 0.000 2.350 211 D HA 0.291 4.931 4.640 -0.001 0.000 0.245 211 D C -1.043 175.649 176.300 0.654 0.000 1.036 211 D CA -0.249 54.022 54.000 0.450 0.000 0.848 211 D CB 1.646 42.610 40.800 0.273 0.000 1.307 211 D HN 0.315 nan 8.370 nan 0.000 0.469 212 W N 0.914 122.349 121.300 0.225 0.000 3.059 212 W HA 0.617 5.276 4.660 -0.001 0.000 0.329 212 W C -2.357 174.420 176.519 0.430 0.000 1.246 212 W CA -1.184 56.327 57.345 0.278 0.000 1.190 212 W CB 1.013 30.579 29.460 0.176 0.000 1.423 212 W HN 0.299 nan 8.180 nan 0.000 0.571 213 L N 3.748 125.294 121.223 0.537 0.000 2.504 213 L HA 0.428 4.767 4.340 -0.001 0.000 0.265 213 L C -1.467 175.612 176.870 0.349 0.000 0.975 213 L CA -0.514 54.578 54.840 0.420 0.000 0.864 213 L CB 0.926 43.211 42.059 0.375 0.000 1.212 213 L HN 0.572 nan 8.230 nan 0.000 0.416 214 D N 4.555 125.145 120.400 0.316 0.000 2.229 214 D HA 0.555 5.195 4.640 -0.001 0.000 0.249 214 D C -0.390 175.852 176.300 -0.097 0.000 1.027 214 D CA -0.201 53.812 54.000 0.022 0.000 0.923 214 D CB 1.950 42.684 40.800 -0.109 0.000 1.174 214 D HN 0.377 nan 8.370 nan 0.000 0.443 215 I N 0.567 120.967 120.570 -0.283 0.000 2.378 215 I HA 0.380 4.549 4.170 -0.001 0.000 0.291 215 I C -0.885 174.980 176.117 -0.419 0.000 0.992 215 I CA -0.836 60.364 61.300 -0.167 0.000 1.154 215 I CB 1.096 39.110 38.000 0.023 0.000 1.315 215 I HN 0.252 nan 8.210 nan 0.000 0.448 216 W N 4.191 125.512 121.300 0.036 0.000 2.573 216 W HA 0.300 4.959 4.660 -0.001 0.000 0.326 216 W C 0.152 176.692 176.519 0.034 0.000 1.049 216 W CA -0.564 56.781 57.345 -0.001 0.000 1.220 216 W CB 0.982 30.428 29.460 -0.024 0.000 1.373 216 W HN 0.355 nan 8.180 nan 0.000 0.507 217 D N 2.117 122.663 120.400 0.244 0.000 2.801 217 D HA 0.406 5.045 4.640 -0.001 0.000 0.232 217 D C 0.499 176.932 176.300 0.221 0.000 1.128 217 D CA 0.947 55.088 54.000 0.235 0.000 1.003 217 D CB -0.485 40.408 40.800 0.155 0.000 1.110 217 D HN 0.535 nan 8.370 nan 0.000 0.477 218 G N 0.417 109.344 108.800 0.213 0.000 2.302 218 G HA2 -0.021 3.939 3.960 -0.001 0.000 0.264 218 G HA3 -0.021 3.939 3.960 -0.001 0.000 0.264 218 G C -0.864 174.085 174.900 0.081 0.000 1.335 218 G CA -0.884 44.293 45.100 0.129 0.000 0.982 218 G HN 0.199 nan 8.290 nan 0.000 0.473 219 I N 2.807 123.370 120.570 -0.011 0.000 2.529 219 I HA 0.317 4.486 4.170 -0.001 0.000 0.284 219 I C -1.852 174.065 176.117 -0.333 0.000 1.082 219 I CA -1.582 59.652 61.300 -0.111 0.000 1.406 219 I CB 1.554 39.493 38.000 -0.101 0.000 1.405 219 I HN 0.140 nan 8.210 nan 0.000 0.548 220 P HA -0.055 nan 4.420 nan 0.000 0.264 220 P C -0.391 176.180 177.300 -1.215 0.000 1.183 220 P CA 0.536 62.696 63.100 -1.567 0.000 0.763 220 P CB 0.171 31.194 31.700 -1.130 0.000 0.807 221 H N -0.267 117.872 119.070 -1.552 0.000 2.958 221 H HA -0.128 4.428 4.556 -0.001 0.000 0.274 221 H C 0.575 175.693 175.328 -0.350 0.000 1.184 221 H CA 0.873 56.504 56.048 -0.695 0.000 1.143 221 H CB -2.118 27.389 29.762 -0.425 0.000 1.297 221 H HN 0.213 nan 8.280 nan 0.000 0.356 222 V N -2.296 117.468 119.914 -0.251 0.000 3.177 222 V HA 0.263 4.383 4.120 -0.001 0.000 0.220 222 V C 1.871 177.947 176.094 -0.030 0.000 1.395 222 V CA 0.603 62.837 62.300 -0.109 0.000 1.317 222 V CB 0.248 32.001 31.823 -0.116 0.000 1.148 222 V HN 0.460 nan 8.190 nan 0.000 0.499 223 G N 1.771 110.565 108.800 -0.010 0.000 2.616 223 G HA2 0.487 4.447 3.960 -0.001 0.000 0.268 223 G HA3 0.487 4.447 3.960 -0.001 0.000 0.268 223 G C -2.796 172.239 174.900 0.225 0.000 1.213 223 G CA -0.824 44.339 45.100 0.105 0.000 0.926 223 G HN 0.249 nan 8.290 nan 0.000 0.523 224 P HA 0.204 nan 4.420 nan 0.000 0.274 224 P C -0.385 177.058 177.300 0.238 0.000 1.237 224 P CA -0.661 62.555 63.100 0.193 0.000 0.793 224 P CB 0.836 32.580 31.700 0.075 0.000 0.977 225 L N 2.928 124.194 121.223 0.072 0.000 2.313 225 L HA 0.174 4.514 4.340 -0.001 0.000 0.282 225 L C 1.076 177.763 176.870 -0.304 0.000 1.092 225 L CA 0.400 55.014 54.840 -0.377 0.000 0.831 225 L CB -0.291 41.473 42.059 -0.493 0.000 1.159 225 L HN 0.349 nan 8.230 nan 0.000 0.442 226 I N 3.653 124.006 120.570 -0.362 0.000 2.233 226 I HA 0.145 4.315 4.170 -0.001 0.000 0.243 226 I C 1.119 177.035 176.117 -0.336 0.000 1.093 226 I CA 0.956 62.050 61.300 -0.343 0.000 1.380 226 I CB -0.319 37.478 38.000 -0.337 0.000 1.067 226 I HN 0.768 nan 8.210 nan 0.000 0.413 227 G N 0.409 108.947 108.800 -0.437 0.000 2.442 227 G HA2 0.203 4.163 3.960 -0.001 0.000 0.296 227 G HA3 0.203 4.163 3.960 -0.001 0.000 0.296 227 G C -1.570 172.900 174.900 -0.716 0.000 1.564 227 G CA -0.724 44.026 45.100 -0.583 0.000 0.828 227 G HN -0.152 nan 8.290 nan 0.000 0.571 228 K N 0.606 120.616 120.400 -0.651 0.000 2.183 228 K HA 0.591 4.911 4.320 -0.001 0.000 0.274 228 K C -1.210 175.060 176.600 -0.550 0.000 1.009 228 K CA -0.525 55.515 56.287 -0.412 0.000 0.888 228 K CB 0.859 33.229 32.500 -0.217 0.000 1.078 228 K HN 0.498 nan 8.250 nan 0.000 0.459 229 Y N 1.873 122.189 120.300 0.027 0.000 2.446 229 Y HA 0.438 4.987 4.550 -0.001 0.000 0.345 229 Y C 0.004 176.097 175.900 0.321 0.000 0.984 229 Y CA -0.717 57.419 58.100 0.060 0.000 1.058 229 Y CB 1.636 39.952 38.460 -0.239 0.000 1.220 229 Y HN 0.675 nan 8.280 nan 0.000 0.455 230 c N -0.146 118.752 118.600 0.498 0.000 3.312 230 c HA 0.964 5.533 4.570 -0.001 0.000 0.332 230 c C 0.373 174.665 174.090 0.336 0.000 1.340 230 c CA -0.528 56.058 56.329 0.427 0.000 1.265 230 c CB 1.160 43.863 42.510 0.322 0.000 1.563 230 c HN 1.499 nan 8.230 nan 0.000 0.471 231 G N 1.413 110.329 108.800 0.194 0.000 2.527 231 G HA2 0.128 4.088 3.960 -0.001 0.000 0.227 231 G HA3 0.128 4.088 3.960 -0.001 0.000 0.227 231 G C 0.375 175.342 174.900 0.113 0.000 1.291 231 G CA 0.604 45.787 45.100 0.139 0.000 0.904 231 G HN 2.492 nan 8.290 nan 0.000 0.577 232 T N -1.551 113.092 114.554 0.148 0.000 3.206 232 T HA 0.370 4.720 4.350 -0.001 0.000 0.253 232 T C 0.917 175.769 174.700 0.254 0.000 1.042 232 T CA 0.857 63.066 62.100 0.181 0.000 0.931 232 T CB 0.269 69.207 68.868 0.117 0.000 1.029 232 T HN 0.526 nan 8.240 nan 0.000 0.564 233 K N 3.678 124.261 120.400 0.305 0.000 2.034 233 K HA 0.020 4.339 4.320 -0.001 0.000 0.225 233 K C 0.249 176.872 176.600 0.038 0.000 1.190 233 K CA 0.157 56.570 56.287 0.210 0.000 1.152 233 K CB -0.684 31.964 32.500 0.247 0.000 1.300 233 K HN 0.457 nan 8.250 nan 0.000 0.268 234 T N 4.826 119.379 114.554 -0.001 0.000 2.761 234 T HA 0.167 4.517 4.350 -0.001 0.000 0.287 234 T C -2.256 172.116 174.700 -0.547 0.000 0.931 234 T CA -1.329 60.623 62.100 -0.248 0.000 1.164 234 T CB 0.402 69.266 68.868 -0.008 0.000 0.876 234 T HN 0.254 nan 8.240 nan 0.000 0.534 235 P HA 0.302 nan 4.420 nan 0.000 0.279 235 P C -0.400 176.573 177.300 -0.545 0.000 1.239 235 P CA -0.479 61.917 63.100 -1.173 0.000 0.789 235 P CB 0.820 31.252 31.700 -2.113 0.000 0.933 236 S N 0.856 116.363 115.700 -0.321 0.000 2.584 236 S HA 0.047 4.516 4.470 -0.001 0.000 0.270 236 S C 0.387 174.975 174.600 -0.019 0.000 1.346 236 S CA -0.551 57.581 58.200 -0.113 0.000 1.018 236 S CB 0.162 63.322 63.200 -0.068 0.000 0.899 236 S HN 0.534 nan 8.310 nan 0.000 0.542 237 E N 0.794 121.010 120.200 0.027 0.000 2.508 237 E HA 0.021 4.370 4.350 -0.001 0.000 0.266 237 E C -1.123 175.522 176.600 0.076 0.000 1.010 237 E CA 0.304 56.739 56.400 0.058 0.000 0.955 237 E CB 0.255 29.973 29.700 0.029 0.000 0.946 237 E HN 0.386 nan 8.360 nan 0.000 0.454 238 L N 4.702 125.989 121.223 0.107 0.000 2.385 238 L HA 0.495 4.834 4.340 -0.001 0.000 0.273 238 L C -0.374 176.556 176.870 0.099 0.000 0.990 238 L CA -0.777 54.168 54.840 0.176 0.000 0.821 238 L CB 1.908 44.125 42.059 0.263 0.000 1.279 238 L HN 0.530 nan 8.230 nan 0.000 0.412 239 R N 1.767 122.290 120.500 0.037 0.000 2.320 239 R HA 0.422 4.762 4.340 -0.001 0.000 0.319 239 R C -0.687 175.326 176.300 -0.477 0.000 0.969 239 R CA -0.296 55.728 56.100 -0.128 0.000 0.857 239 R CB 2.056 32.297 30.300 -0.098 0.000 1.160 239 R HN 0.498 nan 8.270 nan 0.000 0.491 240 S N 0.918 116.326 115.700 -0.487 0.000 2.454 240 S HA 0.225 4.694 4.470 -0.001 0.000 0.306 240 S C 0.623 174.990 174.600 -0.388 0.000 1.100 240 S CA -0.649 57.076 58.200 -0.792 0.000 1.087 240 S CB 1.182 64.142 63.200 -0.400 0.000 1.019 240 S HN 0.635 nan 8.310 nan 0.000 0.480 241 S N 2.738 118.217 115.700 -0.369 0.000 2.593 241 S HA 0.112 4.582 4.470 -0.001 0.000 0.236 241 S C 1.045 175.577 174.600 -0.113 0.000 0.991 241 S CA -0.220 57.867 58.200 -0.187 0.000 0.963 241 S CB -0.055 63.046 63.200 -0.166 0.000 0.865 241 S HN 0.662 nan 8.310 nan 0.000 0.488 242 T N 1.544 116.040 114.554 -0.097 0.000 2.962 242 T HA 0.272 4.622 4.350 -0.001 0.000 0.270 242 T C 1.754 176.458 174.700 0.007 0.000 1.088 242 T CA 1.260 63.357 62.100 -0.006 0.000 1.127 242 T CB -0.515 68.399 68.868 0.077 0.000 0.883 242 T HN 0.950 nan 8.240 nan 0.000 0.493 243 G N 1.249 110.047 108.800 -0.003 0.000 2.232 243 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.226 243 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.226 243 G C 0.101 175.017 174.900 0.027 0.000 0.996 243 G CA 0.019 45.125 45.100 0.011 0.000 0.626 243 G HN 0.612 nan 8.290 nan 0.000 0.509 244 I N -1.839 118.757 120.570 0.044 0.000 2.894 244 I HA 0.945 5.114 4.170 -0.001 0.000 0.302 244 I C -1.309 174.867 176.117 0.098 0.000 1.188 244 I CA -1.905 59.431 61.300 0.061 0.000 1.014 244 I CB 1.632 39.670 38.000 0.063 0.000 1.242 244 I HN 0.361 nan 8.210 nan 0.000 0.430 245 L N 3.750 125.035 121.223 0.103 0.000 2.505 245 L HA 0.732 5.071 4.340 -0.001 0.000 0.266 245 L C -0.679 176.281 176.870 0.149 0.000 0.954 245 L CA 0.249 55.180 54.840 0.152 0.000 0.852 245 L CB 1.876 44.016 42.059 0.135 0.000 1.282 245 L HN 1.020 nan 8.230 nan 0.000 0.403 246 S N 4.603 120.434 115.700 0.217 0.000 2.570 246 S HA 0.881 5.351 4.470 -0.001 0.000 0.286 246 S C -1.169 173.634 174.600 0.338 0.000 1.099 246 S CA -0.904 57.445 58.200 0.249 0.000 0.913 246 S CB 1.717 65.040 63.200 0.205 0.000 1.085 246 S HN 0.586 nan 8.310 nan 0.000 0.480 247 L N 1.872 123.298 121.223 0.340 0.000 2.341 247 L HA 0.604 4.943 4.340 -0.001 0.000 0.278 247 L C -0.460 176.605 176.870 0.326 0.000 1.005 247 L CA -0.723 54.327 54.840 0.351 0.000 0.818 247 L CB 2.178 44.453 42.059 0.360 0.000 1.259 247 L HN 0.742 nan 8.230 nan 0.000 0.418 248 T N 1.615 116.389 114.554 0.367 0.000 2.859 248 T HA 0.623 4.973 4.350 -0.001 0.000 0.281 248 T C -0.934 173.855 174.700 0.147 0.000 1.005 248 T CA -0.406 61.830 62.100 0.226 0.000 1.025 248 T CB 1.882 71.033 68.868 0.471 0.000 0.977 248 T HN 0.355 nan 8.240 nan 0.000 0.458 249 F N 3.178 122.835 119.950 -0.488 0.000 2.607 249 F HA 0.429 4.955 4.527 -0.001 0.000 0.322 249 F C -1.230 174.123 175.800 -0.745 0.000 1.176 249 F CA -0.783 57.000 58.000 -0.362 0.000 0.977 249 F CB 1.243 40.278 39.000 0.058 0.000 1.242 249 F HN 0.669 nan 8.300 nan 0.000 0.465 250 H N 3.617 122.024 119.070 -1.106 0.000 2.717 250 H HA 0.630 5.185 4.556 -0.001 0.000 0.366 250 H C -0.601 174.198 175.328 -0.882 0.000 1.132 250 H CA -0.693 54.683 56.048 -1.121 0.000 1.180 250 H CB 2.361 31.131 29.762 -1.653 0.000 1.678 250 H HN 0.687 nan 8.280 nan 0.000 0.537 251 T N -0.489 113.794 114.554 -0.453 0.000 2.804 251 T HA 0.406 4.755 4.350 -0.001 0.000 0.290 251 T C -0.873 173.814 174.700 -0.021 0.000 1.099 251 T CA -0.872 61.114 62.100 -0.190 0.000 1.011 251 T CB 3.190 71.958 68.868 -0.167 0.000 1.291 251 T HN 0.556 nan 8.240 nan 0.000 0.523 252 D N -0.196 120.218 120.400 0.023 0.000 2.753 252 D HA 0.256 4.895 4.640 -0.001 0.000 0.224 252 D C 0.767 177.041 176.300 -0.044 0.000 1.213 252 D CA -0.567 53.438 54.000 0.009 0.000 0.833 252 D CB 2.341 43.149 40.800 0.013 0.000 1.607 252 D HN 0.458 nan 8.370 nan 0.000 0.463 253 M N 1.172 120.735 119.600 -0.061 0.000 2.476 253 M HA -0.003 4.477 4.480 -0.001 0.000 0.262 253 M C 1.699 177.918 176.300 -0.134 0.000 1.079 253 M CA 0.639 55.892 55.300 -0.079 0.000 1.104 253 M CB -0.667 31.889 32.600 -0.073 0.000 1.409 253 M HN 0.435 nan 8.290 nan 0.000 0.467 254 A N 0.085 122.758 122.820 -0.246 0.000 2.067 254 A HA 0.104 4.423 4.320 -0.001 0.000 0.217 254 A C 1.121 178.499 177.584 -0.343 0.000 1.156 254 A CA 0.315 52.125 52.037 -0.379 0.000 0.683 254 A CB -0.164 18.390 19.000 -0.743 0.000 0.808 254 A HN 0.218 nan 8.150 nan 0.000 0.455 255 V N 0.537 120.303 119.914 -0.247 0.000 2.408 255 V HA 0.354 4.473 4.120 -0.001 0.000 0.267 255 V C 1.532 177.607 176.094 -0.032 0.000 1.047 255 V CA 0.139 62.389 62.300 -0.082 0.000 0.937 255 V CB 0.583 32.417 31.823 0.017 0.000 0.999 255 V HN 0.459 nan 8.190 nan 0.000 0.472 256 A N 4.962 127.772 122.820 -0.017 0.000 1.902 256 A HA -0.037 4.282 4.320 -0.001 0.000 0.217 256 A C 1.137 178.727 177.584 0.010 0.000 1.181 256 A CA 1.354 53.385 52.037 -0.010 0.000 0.623 256 A CB 0.017 19.013 19.000 -0.006 0.000 0.818 256 A HN 0.704 nan 8.150 nan 0.000 0.443 257 K N 0.011 120.428 120.400 0.029 0.000 2.565 257 K HA 0.394 4.714 4.320 -0.001 0.000 0.251 257 K C -2.457 174.185 176.600 0.070 0.000 0.956 257 K CA -0.354 55.959 56.287 0.043 0.000 0.809 257 K CB 1.453 33.967 32.500 0.023 0.000 1.267 257 K HN 0.389 nan 8.250 nan 0.000 0.438 258 D N 2.406 122.872 120.400 0.110 0.000 2.685 258 D HA 0.600 5.239 4.640 -0.001 0.000 0.236 258 D C -0.643 175.809 176.300 0.253 0.000 1.233 258 D CA -0.382 53.711 54.000 0.154 0.000 0.760 258 D CB 1.491 42.382 40.800 0.153 0.000 1.410 258 D HN 0.731 nan 8.370 nan 0.000 0.439 259 G N -0.548 108.433 108.800 0.302 0.000 2.321 259 G HA2 0.552 4.512 3.960 -0.001 0.000 0.298 259 G HA3 0.552 4.512 3.960 -0.001 0.000 0.298 259 G C -1.879 173.233 174.900 0.354 0.000 1.385 259 G CA -0.503 44.830 45.100 0.388 0.000 0.856 259 G HN 1.059 nan 8.290 nan 0.000 0.584 260 F N -1.376 118.579 119.950 0.008 0.000 2.654 260 F HA 0.891 5.418 4.527 -0.001 0.000 0.308 260 F C -0.753 174.652 175.800 -0.659 0.000 1.108 260 F CA -1.132 56.765 58.000 -0.172 0.000 0.957 260 F CB 1.890 40.938 39.000 0.079 0.000 1.309 260 F HN 0.713 nan 8.300 nan 0.000 0.446 261 S N 1.631 116.956 115.700 -0.624 0.000 2.594 261 S HA 0.915 5.385 4.470 -0.001 0.000 0.296 261 S C -0.972 173.512 174.600 -0.193 0.000 1.124 261 S CA -0.029 57.722 58.200 -0.749 0.000 1.011 261 S CB 1.177 63.701 63.200 -1.127 0.000 1.016 261 S HN 1.303 nan 8.310 nan 0.000 0.485 262 A N 3.734 126.395 122.820 -0.264 0.000 2.532 262 A HA 0.930 5.250 4.320 -0.001 0.000 0.290 262 A C -0.906 176.452 177.584 -0.377 0.000 1.143 262 A CA -0.820 50.982 52.037 -0.391 0.000 0.728 262 A CB 1.548 20.015 19.000 -0.888 0.000 1.317 262 A HN 0.718 nan 8.150 nan 0.000 0.414 263 R N -0.772 119.510 120.500 -0.362 0.000 2.750 263 R HA 0.676 5.015 4.340 -0.001 0.000 0.281 263 R C -1.623 174.456 176.300 -0.368 0.000 0.972 263 R CA -0.429 55.441 56.100 -0.383 0.000 0.912 263 R CB 1.728 31.836 30.300 -0.319 0.000 1.187 263 R HN 0.849 nan 8.270 nan 0.000 0.464 264 Y N 0.019 119.939 120.300 -0.633 0.000 2.545 264 Y HA 0.704 5.254 4.550 -0.001 0.000 0.348 264 Y C -1.771 173.736 175.900 -0.656 0.000 1.002 264 Y CA -1.263 56.549 58.100 -0.481 0.000 1.039 264 Y CB 1.313 39.544 38.460 -0.383 0.000 1.271 264 Y HN 0.486 nan 8.280 nan 0.000 0.467 265 Y N 2.201 122.436 120.300 -0.110 0.000 2.492 265 Y HA 0.600 5.150 4.550 -0.001 0.000 0.346 265 Y C -1.037 174.864 175.900 0.001 0.000 0.997 265 Y CA -1.335 56.670 58.100 -0.157 0.000 1.025 265 Y CB 2.349 40.734 38.460 -0.126 0.000 1.263 265 Y HN 0.611 nan 8.280 nan 0.000 0.454 266 L N 4.268 125.573 121.223 0.137 0.000 2.295 266 L HA 0.582 4.922 4.340 -0.001 0.000 0.281 266 L C -1.020 175.907 176.870 0.095 0.000 1.018 266 L CA -0.889 54.027 54.840 0.127 0.000 0.841 266 L CB 0.894 43.033 42.059 0.133 0.000 1.218 266 L HN 0.350 nan 8.230 nan 0.000 0.424 267 V N 1.576 121.534 119.914 0.073 0.000 2.394 267 V HA 0.205 4.325 4.120 -0.001 0.000 0.282 267 V C 0.003 176.136 176.094 0.064 0.000 1.031 267 V CA -0.741 61.590 62.300 0.053 0.000 0.881 267 V CB 1.441 33.266 31.823 0.004 0.000 0.982 267 V HN 0.591 nan 8.190 nan 0.000 0.451 268 H N 4.795 123.855 119.070 -0.017 0.000 2.886 268 H HA 0.307 4.863 4.556 -0.001 0.000 0.329 268 H C -0.033 175.271 175.328 -0.039 0.000 1.044 268 H CA 0.356 56.389 56.048 -0.024 0.000 1.456 268 H CB 0.612 30.362 29.762 -0.020 0.000 1.464 268 H HN 0.595 nan 8.280 nan 0.000 0.573 269 Q N 3.234 122.736 119.800 -0.496 0.000 2.241 269 Q HA 0.380 4.720 4.340 -0.001 0.000 0.262 269 Q C -0.533 175.101 176.000 -0.610 0.000 1.014 269 Q CA -0.846 54.700 55.803 -0.428 0.000 0.885 269 Q CB 1.757 30.329 28.738 -0.276 0.000 1.311 269 Q HN 0.683 nan 8.270 nan 0.000 0.461 270 E N 2.165 122.155 120.200 -0.351 0.000 2.316 270 E HA 0.310 4.660 4.350 -0.001 0.000 0.254 270 E C -2.392 174.084 176.600 -0.208 0.000 0.902 270 E CA -1.669 54.580 56.400 -0.252 0.000 0.801 270 E CB 1.912 31.527 29.700 -0.141 0.000 1.270 270 E HN 0.309 nan 8.360 nan 0.000 0.414 271 P HA 0.157 nan 4.420 nan 0.000 0.275 271 P C 0.174 177.393 177.300 -0.136 0.000 1.276 271 P CA -0.098 62.882 63.100 -0.201 0.000 0.782 271 P CB 0.578 32.188 31.700 -0.150 0.000 0.851 272 L N 2.803 123.937 121.223 -0.149 0.000 2.475 272 L HA 0.164 4.503 4.340 -0.001 0.000 0.253 272 L C 1.657 178.535 176.870 0.014 0.000 1.198 272 L CA -0.249 54.569 54.840 -0.038 0.000 0.814 272 L CB 0.207 42.279 42.059 0.022 0.000 1.134 272 L HN 0.325 nan 8.230 nan 0.000 0.478 273 E N 0.321 120.551 120.200 0.049 0.000 2.065 273 E HA -0.046 4.303 4.350 -0.001 0.000 0.191 273 E C 0.656 177.326 176.600 0.116 0.000 0.960 273 E CA 0.187 56.631 56.400 0.073 0.000 0.824 273 E CB 0.101 29.828 29.700 0.045 0.000 0.793 273 E HN 0.577 nan 8.360 nan 0.000 0.459 274 N N 0.694 119.450 118.700 0.093 0.000 2.383 274 N HA -0.029 4.711 4.740 -0.001 0.000 0.295 274 N C -1.433 174.184 175.510 0.179 0.000 1.281 274 N CA -0.029 53.078 53.050 0.096 0.000 1.048 274 N CB -0.185 38.339 38.487 0.062 0.000 1.455 274 N HN -0.005 nan 8.380 nan 0.000 0.488 275 F N 2.334 122.283 119.950 -0.002 0.000 2.651 275 F HA 0.236 4.762 4.527 -0.001 0.000 0.329 275 F C -1.531 174.270 175.800 0.002 0.000 1.186 275 F CA -1.003 56.995 58.000 -0.002 0.000 1.046 275 F CB 1.080 40.077 39.000 -0.006 0.000 1.296 275 F HN 0.168 nan 8.300 nan 0.000 0.497 276 Q N 4.554 123.881 119.800 -0.789 0.000 2.235 276 Q HA 0.245 4.584 4.340 -0.001 0.000 0.250 276 Q C -0.387 175.002 176.000 -1.018 0.000 0.909 276 Q CA -0.378 55.038 55.803 -0.644 0.000 0.910 276 Q CB 1.939 30.466 28.738 -0.351 0.000 1.223 276 Q HN 0.796 nan 8.270 nan 0.000 0.432 277 c N 4.624 122.908 118.600 -0.526 0.000 2.560 277 c HA 0.289 4.859 4.570 -0.001 0.000 0.506 277 c C 0.293 174.294 174.090 -0.148 0.000 1.116 277 c CA -0.299 55.843 56.329 -0.311 0.000 1.425 277 c CB -2.064 40.409 42.510 -0.061 0.000 1.543 277 c HN 0.794 nan 8.230 nan 0.000 0.586 278 N N 1.085 119.686 118.700 -0.165 0.000 2.142 278 N HA 0.067 4.807 4.740 -0.001 0.000 0.233 278 N C -0.473 175.104 175.510 0.112 0.000 1.335 278 N CA -0.201 52.826 53.050 -0.038 0.000 0.837 278 N CB -0.431 37.977 38.487 -0.133 0.000 1.238 278 N HN 0.257 nan 8.380 nan 0.000 0.501 279 V N 2.814 122.786 119.914 0.096 0.000 2.872 279 V HA 0.200 4.320 4.120 -0.001 0.000 0.307 279 V C -1.831 174.387 176.094 0.206 0.000 1.072 279 V CA -0.728 61.670 62.300 0.163 0.000 1.148 279 V CB 0.753 32.656 31.823 0.134 0.000 0.954 279 V HN 0.239 nan 8.190 nan 0.000 0.490 280 P HA 0.177 nan 4.420 nan 0.000 0.276 280 P C 0.365 177.573 177.300 -0.153 0.000 1.230 280 P CA -0.074 62.888 63.100 -0.230 0.000 0.776 280 P CB 0.829 32.367 31.700 -0.271 0.000 0.888 281 L N 1.622 122.726 121.223 -0.198 0.000 2.446 281 L HA 0.249 4.589 4.340 -0.001 0.000 0.219 281 L C 1.469 178.276 176.870 -0.106 0.000 1.116 281 L CA 0.944 55.721 54.840 -0.106 0.000 0.844 281 L CB -0.541 41.466 42.059 -0.087 0.000 0.970 281 L HN 0.709 nan 8.230 nan 0.000 0.457 282 G N -1.348 107.363 108.800 -0.148 0.000 2.192 282 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.152 282 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.152 282 G C 0.599 175.440 174.900 -0.098 0.000 1.057 282 G CA -0.300 44.735 45.100 -0.108 0.000 0.748 282 G HN -0.129 nan 8.290 nan 0.000 0.488 283 M N 0.365 119.890 119.600 -0.124 0.000 2.067 283 M HA 0.010 4.490 4.480 -0.001 0.000 0.260 283 M C 2.134 178.393 176.300 -0.068 0.000 1.069 283 M CA 2.256 57.500 55.300 -0.094 0.000 1.117 283 M CB -0.991 31.545 32.600 -0.107 0.000 1.334 283 M HN 0.567 nan 8.290 nan 0.000 0.407 284 E N 0.668 120.824 120.200 -0.074 0.000 2.028 284 E HA -0.148 4.201 4.350 -0.001 0.000 0.191 284 E C 1.926 178.500 176.600 -0.043 0.000 0.988 284 E CA 1.953 58.328 56.400 -0.042 0.000 0.799 284 E CB 0.072 29.750 29.700 -0.036 0.000 0.755 284 E HN 0.507 nan 8.360 nan 0.000 0.447 285 S N -0.818 114.848 115.700 -0.056 0.000 2.419 285 S HA -0.012 4.458 4.470 -0.001 0.000 0.233 285 S C 1.804 176.380 174.600 -0.040 0.000 1.016 285 S CA 0.913 59.086 58.200 -0.046 0.000 0.974 285 S CB -0.258 62.913 63.200 -0.049 0.000 0.786 285 S HN 0.657 nan 8.310 nan 0.000 0.492 286 G N 1.336 110.110 108.800 -0.043 0.000 2.175 286 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.244 286 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.244 286 G C 0.856 175.735 174.900 -0.035 0.000 0.982 286 G CA 0.267 45.346 45.100 -0.036 0.000 0.641 286 G HN 0.508 nan 8.290 nan 0.000 0.527 287 R N -0.175 120.302 120.500 -0.039 0.000 2.159 287 R HA 0.126 4.465 4.340 -0.001 0.000 0.237 287 R C 1.308 177.591 176.300 -0.028 0.000 1.131 287 R CA 1.015 57.095 56.100 -0.032 0.000 0.982 287 R CB -0.094 30.185 30.300 -0.035 0.000 0.868 287 R HN 0.529 nan 8.270 nan 0.000 0.453 288 I N 1.646 122.192 120.570 -0.039 0.000 2.337 288 I HA 0.130 4.300 4.170 -0.001 0.000 0.291 288 I C 0.396 176.493 176.117 -0.033 0.000 1.046 288 I CA -0.618 60.659 61.300 -0.039 0.000 1.324 288 I CB 1.051 39.017 38.000 -0.057 0.000 1.409 288 I HN 0.116 nan 8.210 nan 0.000 0.494 289 A N 5.271 128.075 122.820 -0.026 0.000 2.332 289 A HA 0.222 4.542 4.320 -0.001 0.000 0.258 289 A C 0.952 178.524 177.584 -0.020 0.000 1.087 289 A CA -0.303 51.721 52.037 -0.023 0.000 0.802 289 A CB 0.191 19.178 19.000 -0.022 0.000 1.042 289 A HN 0.820 nan 8.150 nan 0.000 0.489 290 N N 0.160 118.851 118.700 -0.015 0.000 2.061 290 N HA -0.218 4.522 4.740 -0.001 0.000 0.193 290 N C 1.613 177.122 175.510 -0.001 0.000 1.030 290 N CA 1.785 54.830 53.050 -0.008 0.000 0.856 290 N CB -0.196 38.290 38.487 -0.001 0.000 1.023 290 N HN 0.894 nan 8.380 nan 0.000 0.424 291 E N 0.713 120.914 120.200 0.001 0.000 2.164 291 E HA -0.341 4.008 4.350 -0.001 0.000 0.206 291 E C 1.470 178.080 176.600 0.017 0.000 1.032 291 E CA 1.557 57.966 56.400 0.016 0.000 0.832 291 E CB -0.007 29.701 29.700 0.014 0.000 0.742 291 E HN 0.523 nan 8.360 nan 0.000 0.460 292 Q N -0.449 119.350 119.800 -0.002 0.000 2.435 292 Q HA 0.088 4.428 4.340 -0.001 0.000 0.207 292 Q C 0.262 176.256 176.000 -0.009 0.000 0.956 292 Q CA 0.250 56.044 55.803 -0.015 0.000 0.917 292 Q CB 0.359 29.072 28.738 -0.043 0.000 0.997 292 Q HN 0.344 nan 8.270 nan 0.000 0.497 293 I N 0.970 121.532 120.570 -0.013 0.000 2.392 293 I HA 0.261 4.430 4.170 -0.001 0.000 0.295 293 I C 0.124 176.228 176.117 -0.021 0.000 0.985 293 I CA -0.558 60.722 61.300 -0.032 0.000 1.221 293 I CB 1.520 39.492 38.000 -0.048 0.000 1.366 293 I HN -0.033 nan 8.210 nan 0.000 0.467 294 S N 4.128 119.803 115.700 -0.041 0.000 2.672 294 S HA 0.969 5.438 4.470 -0.001 0.000 0.271 294 S C -1.011 173.521 174.600 -0.113 0.000 1.171 294 S CA -0.664 57.520 58.200 -0.026 0.000 0.817 294 S CB 2.345 65.574 63.200 0.048 0.000 1.150 294 S HN 0.990 nan 8.310 nan 0.000 0.478 295 A N 0.381 123.151 122.820 -0.084 0.000 2.601 295 A HA 0.757 5.077 4.320 -0.001 0.000 0.291 295 A C 0.721 178.152 177.584 -0.255 0.000 1.075 295 A CA -0.127 51.771 52.037 -0.231 0.000 0.671 295 A CB 0.426 19.243 19.000 -0.305 0.000 1.277 295 A HN 1.619 nan 8.150 nan 0.000 0.417 296 S N 0.317 115.583 115.700 -0.723 0.000 2.365 296 S HA 0.027 4.496 4.470 -0.001 0.000 0.225 296 S C 1.103 175.585 174.600 -0.197 0.000 1.039 296 S CA 1.816 59.612 58.200 -0.673 0.000 1.033 296 S CB -0.700 61.965 63.200 -0.892 0.000 0.887 296 S HN 2.281 nan 8.310 nan 0.000 0.447 297 S N -1.381 114.299 115.700 -0.033 0.000 2.843 297 S HA 0.719 5.189 4.470 -0.001 0.000 0.301 297 S C -0.761 173.915 174.600 0.127 0.000 1.206 297 S CA -0.259 57.948 58.200 0.011 0.000 0.875 297 S CB 1.610 64.769 63.200 -0.069 0.000 1.248 297 S HN 0.359 nan 8.310 nan 0.000 0.555 298 T N -0.747 113.820 114.554 0.021 0.000 2.830 298 T HA 0.489 4.839 4.350 -0.001 0.000 0.322 298 T C -1.878 172.789 174.700 -0.054 0.000 1.501 298 T CA -0.521 61.577 62.100 -0.002 0.000 1.036 298 T CB 0.728 69.679 68.868 0.138 0.000 1.379 298 T HN 0.607 nan 8.240 nan 0.000 0.493 299 Y N 1.758 121.935 120.300 -0.205 0.000 2.757 299 Y HA 0.114 4.663 4.550 -0.001 0.000 0.344 299 Y C 2.067 177.913 175.900 -0.090 0.000 1.263 299 Y CA 1.215 59.192 58.100 -0.205 0.000 1.493 299 Y CB 0.667 38.957 38.460 -0.284 0.000 1.342 299 Y HN 0.742 nan 8.280 nan 0.000 0.627 300 S N 1.329 116.904 115.700 -0.208 0.000 2.382 300 S HA -0.194 4.275 4.470 -0.001 0.000 0.228 300 S C 1.460 176.091 174.600 0.052 0.000 1.027 300 S CA 1.357 59.500 58.200 -0.095 0.000 0.991 300 S CB -0.309 62.783 63.200 -0.180 0.000 0.823 300 S HN 0.871 nan 8.310 nan 0.000 0.469 301 D N 0.949 121.461 120.400 0.187 0.000 2.350 301 D HA 0.042 4.681 4.640 -0.001 0.000 0.216 301 D C 1.303 177.689 176.300 0.145 0.000 0.968 301 D CA 0.913 55.017 54.000 0.174 0.000 0.894 301 D CB -0.947 39.989 40.800 0.226 0.000 0.909 301 D HN 0.426 nan 8.370 nan 0.000 0.520 302 G N 0.726 109.626 108.800 0.167 0.000 2.160 302 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.251 302 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.251 302 G C 0.772 175.738 174.900 0.109 0.000 1.008 302 G CA 0.149 45.323 45.100 0.124 0.000 0.724 302 G HN 0.350 nan 8.290 nan 0.000 0.514 303 R N -1.448 119.149 120.500 0.162 0.000 2.546 303 R HA 0.278 4.618 4.340 -0.001 0.000 0.320 303 R C -0.142 176.010 176.300 -0.247 0.000 1.021 303 R CA -0.229 55.859 56.100 -0.019 0.000 1.088 303 R CB 0.076 30.352 30.300 -0.040 0.000 1.278 303 R HN 0.522 nan 8.270 nan 0.000 0.557 304 W N 1.156 122.415 121.300 -0.069 0.000 1.048 304 W HA 0.125 4.784 4.660 -0.001 0.000 0.296 304 W C 0.243 176.757 176.519 -0.009 0.000 0.846 304 W CA -0.682 56.602 57.345 -0.101 0.000 2.078 304 W CB 0.006 29.312 29.460 -0.257 0.000 1.618 304 W HN -0.170 nan 8.180 nan 0.000 0.497 305 T N -2.371 112.299 114.554 0.193 0.000 2.802 305 T HA 0.126 4.476 4.350 -0.001 0.000 0.305 305 T C -1.423 173.489 174.700 0.353 0.000 1.053 305 T CA -0.864 61.375 62.100 0.232 0.000 1.058 305 T CB 1.317 70.262 68.868 0.128 0.000 0.988 305 T HN -0.195 nan 8.240 nan 0.000 0.539 306 P HA -0.085 nan 4.420 nan 0.000 0.218 306 P C 1.368 178.715 177.300 0.079 0.000 1.148 306 P CA 0.987 64.189 63.100 0.170 0.000 0.822 306 P CB -0.041 31.662 31.700 0.006 0.000 0.784 307 Q N -0.874 118.970 119.800 0.073 0.000 2.515 307 Q HA -0.067 4.272 4.340 -0.001 0.000 0.212 307 Q C 1.602 177.620 176.000 0.030 0.000 0.970 307 Q CA 0.989 56.811 55.803 0.033 0.000 0.941 307 Q CB -0.643 28.111 28.738 0.025 0.000 0.998 307 Q HN 0.472 nan 8.270 nan 0.000 0.518 308 Q N -1.181 118.655 119.800 0.059 0.000 2.319 308 Q HA 0.100 4.440 4.340 -0.001 0.000 0.202 308 Q C 1.159 177.198 176.000 0.065 0.000 0.896 308 Q CA 0.493 56.317 55.803 0.034 0.000 0.942 308 Q CB 0.559 29.296 28.738 -0.002 0.000 1.083 308 Q HN 0.327 nan 8.270 nan 0.000 0.510 309 S N 0.034 115.786 115.700 0.087 0.000 2.607 309 S HA 0.057 4.527 4.470 -0.001 0.000 0.224 309 S C 0.629 175.244 174.600 0.026 0.000 0.969 309 S CA -0.357 57.894 58.200 0.084 0.000 0.927 309 S CB 0.014 63.241 63.200 0.045 0.000 0.772 309 S HN 0.183 nan 8.310 nan 0.000 0.533 310 R N 0.806 121.313 120.500 0.011 0.000 2.570 310 R HA 0.243 4.583 4.340 -0.001 0.000 0.277 310 R C -0.252 176.060 176.300 0.021 0.000 1.039 310 R CA -0.494 55.606 56.100 -0.001 0.000 1.065 310 R CB 0.203 30.501 30.300 -0.004 0.000 0.964 310 R HN 0.288 nan 8.270 nan 0.000 0.428 311 L N 4.047 125.288 121.223 0.029 0.000 2.525 311 L HA -0.114 4.226 4.340 -0.001 0.000 0.278 311 L C 0.658 177.631 176.870 0.171 0.000 1.218 311 L CA 1.028 55.919 54.840 0.086 0.000 0.878 311 L CB -0.155 41.988 42.059 0.140 0.000 1.127 311 L HN 0.721 nan 8.230 nan 0.000 0.492 312 H N 1.083 120.157 119.070 0.007 0.000 2.992 312 H HA -0.145 4.410 4.556 -0.001 0.000 0.266 312 H C 0.671 175.995 175.328 -0.007 0.000 1.200 312 H CA 0.539 56.589 56.048 0.003 0.000 1.135 312 H CB -1.466 28.298 29.762 0.003 0.000 1.282 312 H HN 0.804 nan 8.280 nan 0.000 0.351 313 G N 1.584 110.411 108.800 0.044 0.000 2.378 313 G HA2 0.191 4.151 3.960 -0.001 0.000 0.255 313 G HA3 0.191 4.151 3.960 -0.001 0.000 0.255 313 G C 1.016 175.907 174.900 -0.016 0.000 1.270 313 G CA 0.253 45.360 45.100 0.011 0.000 0.876 313 G HN 0.388 nan 8.290 nan 0.000 0.521 314 D N 1.198 121.587 120.400 -0.018 0.000 2.363 314 D HA -0.055 4.585 4.640 -0.001 0.000 0.226 314 D C -0.047 176.210 176.300 -0.072 0.000 1.020 314 D CA -0.026 53.954 54.000 -0.033 0.000 0.892 314 D CB 0.492 41.281 40.800 -0.019 0.000 0.900 314 D HN 0.261 nan 8.370 nan 0.000 0.531 315 D N 0.251 120.592 120.400 -0.097 0.000 2.460 315 D HA 0.143 4.783 4.640 -0.001 0.000 0.232 315 D C 0.428 176.573 176.300 -0.259 0.000 1.079 315 D CA -0.481 53.421 54.000 -0.163 0.000 0.864 315 D CB 0.337 41.054 40.800 -0.139 0.000 1.048 315 D HN -0.224 nan 8.370 nan 0.000 0.523 316 N N 2.401 120.879 118.700 -0.369 0.000 1.320 316 N HA -0.243 4.497 4.740 -0.001 0.000 0.139 316 N C 0.725 176.030 175.510 -0.342 0.000 0.550 316 N CA 2.167 54.830 53.050 -0.645 0.000 1.036 316 N CB -1.318 36.290 38.487 -1.466 0.000 1.344 316 N HN 0.722 nan 8.380 nan 0.000 0.468 317 G N -1.992 106.636 108.800 -0.287 0.000 2.344 317 G HA2 0.292 4.252 3.960 -0.001 0.000 0.282 317 G HA3 0.292 4.252 3.960 -0.001 0.000 0.282 317 G C -2.254 172.803 174.900 0.262 0.000 1.281 317 G CA -0.090 45.050 45.100 0.067 0.000 0.877 317 G HN 0.547 nan 8.290 nan 0.000 0.494 318 W N 1.524 122.911 121.300 0.145 0.000 2.361 318 W HA 0.747 5.406 4.660 -0.001 0.000 0.309 318 W C -0.380 176.221 176.519 0.136 0.000 1.122 318 W CA -0.062 57.366 57.345 0.138 0.000 1.208 318 W CB 1.704 31.192 29.460 0.046 0.000 1.246 318 W HN 0.515 nan 8.180 nan 0.000 0.490 319 T N 8.413 122.501 114.554 -0.776 0.000 2.893 319 T HA 0.438 4.787 4.350 -0.001 0.000 0.293 319 T C -2.541 171.349 174.700 -1.349 0.000 1.027 319 T CA -1.220 60.214 62.100 -1.110 0.000 0.988 319 T CB 2.130 70.450 68.868 -0.914 0.000 1.043 319 T HN 0.149 nan 8.240 nan 0.000 0.461 320 P HA 0.298 nan 4.420 nan 0.000 0.293 320 P C 0.640 177.700 177.300 -0.401 0.000 1.304 320 P CA -0.602 62.076 63.100 -0.704 0.000 0.767 320 P CB 0.860 32.233 31.700 -0.546 0.000 1.247 321 N N -0.966 117.554 118.700 -0.299 0.000 2.270 321 N HA -0.016 4.724 4.740 -0.001 0.000 0.181 321 N C 0.322 175.618 175.510 -0.356 0.000 1.016 321 N CA 0.615 53.466 53.050 -0.333 0.000 0.870 321 N CB 0.090 38.437 38.487 -0.233 0.000 0.979 321 N HN 0.222 nan 8.380 nan 0.000 0.431 322 L N -0.071 120.982 121.223 -0.283 0.000 2.235 322 L HA 0.348 4.687 4.340 -0.001 0.000 0.260 322 L C -1.231 175.462 176.870 -0.295 0.000 1.025 322 L CA -0.943 53.750 54.840 -0.246 0.000 0.836 322 L CB 1.865 43.825 42.059 -0.166 0.000 1.395 322 L HN -0.101 nan 8.230 nan 0.000 0.443 323 D N 1.066 121.308 120.400 -0.264 0.000 2.453 323 D HA 0.465 5.105 4.640 -0.001 0.000 0.238 323 D C -0.926 175.243 176.300 -0.217 0.000 1.088 323 D CA 0.121 53.867 54.000 -0.423 0.000 0.854 323 D CB 1.758 42.267 40.800 -0.484 0.000 1.076 323 D HN 0.499 nan 8.370 nan 0.000 0.533 324 S N 1.119 116.686 115.700 -0.222 0.000 2.596 324 S HA 0.238 4.708 4.470 -0.001 0.000 0.270 324 S C 0.529 175.217 174.600 0.147 0.000 1.155 324 S CA -0.891 57.367 58.200 0.097 0.000 0.827 324 S CB 1.408 64.646 63.200 0.063 0.000 1.130 324 S HN 0.281 nan 8.310 nan 0.000 0.467 325 N N 0.476 119.368 118.700 0.319 0.000 2.521 325 N HA -0.044 4.695 4.740 -0.001 0.000 0.188 325 N C 0.059 175.676 175.510 0.178 0.000 1.146 325 N CA 0.049 53.275 53.050 0.293 0.000 0.893 325 N CB -0.237 38.419 38.487 0.281 0.000 0.975 325 N HN 0.627 nan 8.380 nan 0.000 0.451 326 K N 0.825 121.299 120.400 0.124 0.000 3.041 326 K HA 0.201 4.520 4.320 -0.001 0.000 0.243 326 K C -0.383 176.267 176.600 0.083 0.000 1.167 326 K CA 0.025 56.371 56.287 0.098 0.000 1.235 326 K CB 0.319 32.859 32.500 0.067 0.000 1.205 326 K HN 0.218 nan 8.250 nan 0.000 0.448 327 E N 0.670 120.934 120.200 0.107 0.000 2.408 327 E HA 0.341 4.690 4.350 -0.001 0.000 0.275 327 E C -1.240 175.473 176.600 0.189 0.000 0.935 327 E CA -0.937 55.500 56.400 0.062 0.000 0.775 327 E CB 2.114 31.829 29.700 0.025 0.000 1.277 327 E HN 0.104 nan 8.360 nan 0.000 0.455 328 Y N -1.164 119.205 120.300 0.115 0.000 2.565 328 Y HA 0.589 5.139 4.550 -0.001 0.000 0.330 328 Y C -1.961 173.661 175.900 -0.465 0.000 1.150 328 Y CA -1.253 56.785 58.100 -0.103 0.000 1.055 328 Y CB 0.624 38.987 38.460 -0.160 0.000 1.337 328 Y HN 0.377 nan 8.280 nan 0.000 0.457 329 L N 3.414 124.377 121.223 -0.433 0.000 2.282 329 L HA 0.549 4.889 4.340 -0.001 0.000 0.288 329 L C -0.540 176.204 176.870 -0.210 0.000 1.033 329 L CA -0.282 54.136 54.840 -0.704 0.000 0.807 329 L CB 1.647 43.192 42.059 -0.857 0.000 1.209 329 L HN 0.859 nan 8.230 nan 0.000 0.423 330 Q N 3.344 123.082 119.800 -0.104 0.000 2.293 330 Q HA 0.639 4.979 4.340 -0.001 0.000 0.261 330 Q C -1.725 174.280 176.000 0.009 0.000 0.960 330 Q CA -0.688 55.133 55.803 0.030 0.000 0.882 330 Q CB 1.898 30.727 28.738 0.153 0.000 1.275 330 Q HN 0.558 nan 8.270 nan 0.000 0.445 331 V N 3.464 123.400 119.914 0.037 0.000 2.487 331 V HA 0.198 4.318 4.120 -0.001 0.000 0.298 331 V C -0.828 175.271 176.094 0.007 0.000 1.028 331 V CA -0.789 61.511 62.300 0.000 0.000 0.860 331 V CB 1.848 33.641 31.823 -0.051 0.000 0.991 331 V HN 0.753 nan 8.190 nan 0.000 0.427 332 D N 4.012 124.375 120.400 -0.062 0.000 2.359 332 D HA 0.328 4.968 4.640 -0.001 0.000 0.230 332 D C 0.780 176.897 176.300 -0.306 0.000 1.118 332 D CA -0.191 53.607 54.000 -0.336 0.000 0.844 332 D CB 1.381 41.976 40.800 -0.341 0.000 1.059 332 D HN 0.432 nan 8.370 nan 0.000 0.493 333 L N 3.713 124.742 121.223 -0.322 0.000 2.552 333 L HA 0.105 4.444 4.340 -0.001 0.000 0.227 333 L C 1.863 178.630 176.870 -0.173 0.000 1.146 333 L CA -0.020 54.713 54.840 -0.179 0.000 0.858 333 L CB -0.261 41.728 42.059 -0.115 0.000 0.969 333 L HN 0.524 nan 8.230 nan 0.000 0.451 334 R N -2.149 118.127 120.500 -0.373 0.000 1.364 334 R HA -0.244 4.096 4.340 -0.001 0.000 0.054 334 R C -0.072 175.878 176.300 -0.583 0.000 0.950 334 R CA 1.969 57.783 56.100 -0.478 0.000 1.972 334 R CB -1.335 28.726 30.300 -0.398 0.000 0.282 334 R HN 0.176 nan 8.270 nan 0.000 0.723 335 F N 0.825 120.694 119.950 -0.134 0.000 2.483 335 F HA 0.449 4.975 4.527 -0.001 0.000 0.329 335 F C 0.546 176.294 175.800 -0.087 0.000 1.064 335 F CA -1.059 56.889 58.000 -0.086 0.000 0.986 335 F CB 0.597 39.567 39.000 -0.051 0.000 1.218 335 F HN -0.073 nan 8.300 nan 0.000 0.484 336 L N 2.050 123.357 121.223 0.141 0.000 2.597 336 L HA 0.166 4.506 4.340 -0.001 0.000 0.271 336 L C 0.010 176.918 176.870 0.063 0.000 1.157 336 L CA 0.961 55.837 54.840 0.061 0.000 0.928 336 L CB -0.625 41.466 42.059 0.055 0.000 1.216 336 L HN 0.603 nan 8.230 nan 0.000 0.481 337 T N 4.656 119.232 114.554 0.036 0.000 2.932 337 T HA 0.497 4.847 4.350 -0.001 0.000 0.289 337 T C -0.372 174.350 174.700 0.037 0.000 1.039 337 T CA -0.612 61.510 62.100 0.037 0.000 1.024 337 T CB 1.660 70.543 68.868 0.025 0.000 1.090 337 T HN 0.401 nan 8.240 nan 0.000 0.496 338 M N 2.916 122.545 119.600 0.050 0.000 2.113 338 M HA 0.487 4.967 4.480 -0.001 0.000 0.352 338 M C -1.252 175.083 176.300 0.059 0.000 1.170 338 M CA -0.757 54.579 55.300 0.060 0.000 1.053 338 M CB 0.517 33.161 32.600 0.073 0.000 1.601 338 M HN 0.380 nan 8.290 nan 0.000 0.459 339 L N 5.013 126.270 121.223 0.057 0.000 2.282 339 L HA 0.574 4.913 4.340 -0.001 0.000 0.288 339 L C 0.641 177.549 176.870 0.063 0.000 1.033 339 L CA 0.473 55.345 54.840 0.053 0.000 0.807 339 L CB 1.200 43.278 42.059 0.032 0.000 1.209 339 L HN 0.926 nan 8.230 nan 0.000 0.423 340 T N 1.194 115.791 114.554 0.073 0.000 2.958 340 T HA 0.717 5.066 4.350 -0.001 0.000 0.256 340 T C 0.323 175.047 174.700 0.041 0.000 0.983 340 T CA 0.358 62.493 62.100 0.058 0.000 0.924 340 T CB 0.275 69.167 68.868 0.039 0.000 1.136 340 T HN 0.775 nan 8.240 nan 0.000 0.506 341 A N 0.682 123.556 122.820 0.089 0.000 2.594 341 A HA 0.762 5.081 4.320 -0.001 0.000 0.295 341 A C -1.650 176.054 177.584 0.200 0.000 1.071 341 A CA -0.966 51.114 52.037 0.072 0.000 0.685 341 A CB 1.153 20.105 19.000 -0.081 0.000 1.285 341 A HN 0.400 nan 8.150 nan 0.000 0.405 342 I N 0.951 121.579 120.570 0.097 0.000 2.465 342 I HA 0.660 4.830 4.170 -0.001 0.000 0.291 342 I C 0.246 176.460 176.117 0.161 0.000 1.014 342 I CA -0.639 60.718 61.300 0.094 0.000 1.093 342 I CB 2.127 40.067 38.000 -0.099 0.000 1.267 342 I HN 0.791 nan 8.210 nan 0.000 0.431 343 A N 3.909 126.868 122.820 0.231 0.000 2.343 343 A HA 0.832 5.151 4.320 -0.001 0.000 0.308 343 A C -0.321 177.339 177.584 0.126 0.000 1.092 343 A CA -0.498 51.671 52.037 0.220 0.000 0.751 343 A CB 1.456 20.683 19.000 0.379 0.000 1.203 343 A HN 0.730 nan 8.150 nan 0.000 0.452 344 T N 0.270 114.893 114.554 0.116 0.000 2.906 344 T HA 0.787 5.137 4.350 -0.001 0.000 0.295 344 T C -0.549 174.206 174.700 0.092 0.000 1.061 344 T CA -0.612 61.537 62.100 0.081 0.000 1.000 344 T CB 1.539 70.456 68.868 0.081 0.000 1.103 344 T HN 0.783 nan 8.240 nan 0.000 0.486 345 Q N 0.779 120.622 119.800 0.072 0.000 2.668 345 Q HA 0.721 5.061 4.340 -0.001 0.000 0.298 345 Q C 0.376 176.450 176.000 0.124 0.000 1.071 345 Q CA -1.580 54.258 55.803 0.059 0.000 0.789 345 Q CB 1.257 29.977 28.738 -0.030 0.000 1.497 345 Q HN 0.849 nan 8.270 nan 0.000 0.460 346 G N 0.127 109.004 108.800 0.128 0.000 2.975 346 G HA2 0.699 4.659 3.960 -0.001 0.000 0.159 346 G HA3 0.699 4.659 3.960 -0.001 0.000 0.159 346 G C -0.996 174.021 174.900 0.194 0.000 1.525 346 G CA -0.140 45.102 45.100 0.237 0.000 1.075 346 G HN 0.786 nan 8.290 nan 0.000 0.574 347 A N -1.532 121.435 122.820 0.244 0.000 2.573 347 A HA 0.534 4.853 4.320 -0.001 0.000 0.299 347 A C -1.365 176.389 177.584 0.285 0.000 1.060 347 A CA -0.561 51.611 52.037 0.225 0.000 0.736 347 A CB 0.553 19.727 19.000 0.291 0.000 1.280 347 A HN 0.526 nan 8.150 nan 0.000 0.401 348 I N 1.806 122.480 120.570 0.172 0.000 2.321 348 I HA 0.305 4.474 4.170 -0.001 0.000 0.291 348 I C 1.004 177.223 176.117 0.171 0.000 0.998 348 I CA -0.445 60.964 61.300 0.181 0.000 1.227 348 I CB 1.935 39.985 38.000 0.083 0.000 1.368 348 I HN 0.667 nan 8.210 nan 0.000 0.466 349 S N 6.057 121.962 115.700 0.341 0.000 2.589 349 S HA -0.005 4.464 4.470 -0.001 0.000 0.306 349 S C 1.442 176.095 174.600 0.089 0.000 1.221 349 S CA -0.013 58.365 58.200 0.296 0.000 1.159 349 S CB -0.097 63.412 63.200 0.515 0.000 0.990 349 S HN 0.650 nan 8.310 nan 0.000 0.514 350 R N 3.232 123.698 120.500 -0.057 0.000 2.193 350 R HA -0.090 4.250 4.340 -0.001 0.000 0.229 350 R C 1.186 177.474 176.300 -0.021 0.000 1.110 350 R CA 1.803 57.868 56.100 -0.059 0.000 0.988 350 R CB 0.076 30.299 30.300 -0.128 0.000 0.871 350 R HN 0.647 nan 8.270 nan 0.000 0.458 351 E N -1.807 118.394 120.200 0.002 0.000 2.452 351 E HA -0.001 4.349 4.350 -0.001 0.000 0.197 351 E C 0.939 177.572 176.600 0.055 0.000 1.022 351 E CA 1.108 57.522 56.400 0.023 0.000 0.890 351 E CB 1.088 30.803 29.700 0.025 0.000 0.918 351 E HN 0.436 nan 8.360 nan 0.000 0.496 352 T N -3.767 110.840 114.554 0.088 0.000 3.080 352 T HA 0.047 4.397 4.350 -0.001 0.000 0.280 352 T C 0.451 175.206 174.700 0.091 0.000 0.926 352 T CA -0.401 61.756 62.100 0.095 0.000 0.883 352 T CB 0.399 69.344 68.868 0.128 0.000 1.194 352 T HN -0.189 nan 8.240 nan 0.000 0.541 353 Q N 0.487 120.343 119.800 0.093 0.000 2.452 353 Q HA -0.165 4.175 4.340 -0.001 0.000 0.248 353 Q C -0.598 175.449 176.000 0.078 0.000 0.874 353 Q CA 0.862 56.710 55.803 0.075 0.000 1.208 353 Q CB -2.801 25.962 28.738 0.043 0.000 1.569 353 Q HN 0.817 nan 8.270 nan 0.000 0.579 354 N N -0.234 118.536 118.700 0.116 0.000 2.444 354 N HA 0.423 5.163 4.740 -0.001 0.000 0.255 354 N C 0.533 176.052 175.510 0.015 0.000 1.255 354 N CA 0.647 53.708 53.050 0.018 0.000 0.933 354 N CB 0.625 39.094 38.487 -0.030 0.000 1.143 354 N HN 0.269 nan 8.380 nan 0.000 0.453 355 G N 0.947 109.668 108.800 -0.130 0.000 2.671 355 G HA2 0.406 4.365 3.960 -0.001 0.000 0.318 355 G HA3 0.406 4.365 3.960 -0.001 0.000 0.318 355 G C -1.353 173.523 174.900 -0.041 0.000 1.250 355 G CA -0.299 44.807 45.100 0.010 0.000 1.028 355 G HN 0.433 nan 8.290 nan 0.000 0.501 356 Y N 1.489 121.940 120.300 0.252 0.000 2.387 356 Y HA 0.667 5.216 4.550 -0.001 0.000 0.330 356 Y C 0.006 176.106 175.900 0.334 0.000 1.133 356 Y CA -0.711 57.511 58.100 0.203 0.000 1.152 356 Y CB 1.951 40.426 38.460 0.025 0.000 1.215 356 Y HN 0.693 nan 8.280 nan 0.000 0.466 357 Y N -1.792 118.689 120.300 0.301 0.000 2.573 357 Y HA 0.597 5.146 4.550 -0.001 0.000 0.328 357 Y C -2.025 174.058 175.900 0.305 0.000 1.170 357 Y CA -1.777 56.471 58.100 0.246 0.000 1.078 357 Y CB -0.037 38.523 38.460 0.167 0.000 1.341 357 Y HN 0.336 nan 8.280 nan 0.000 0.459 358 V N 3.940 124.098 119.914 0.407 0.000 2.583 358 V HA 0.237 4.357 4.120 -0.001 0.000 0.287 358 V C 0.588 176.950 176.094 0.445 0.000 1.051 358 V CA -0.396 62.152 62.300 0.413 0.000 1.010 358 V CB 1.443 33.506 31.823 0.400 0.000 0.988 358 V HN 0.951 nan 8.190 nan 0.000 0.478 359 K N 1.889 122.507 120.400 0.364 0.000 2.348 359 K HA 0.200 4.520 4.320 -0.001 0.000 0.194 359 K C 0.398 177.149 176.600 0.252 0.000 1.052 359 K CA 0.588 57.054 56.287 0.299 0.000 1.004 359 K CB 0.766 33.373 32.500 0.178 0.000 0.873 359 K HN 0.818 nan 8.250 nan 0.000 0.523 360 S N -0.288 115.583 115.700 0.285 0.000 2.567 360 S HA 0.542 5.012 4.470 -0.001 0.000 0.270 360 S C -1.365 173.447 174.600 0.354 0.000 1.152 360 S CA -1.065 57.263 58.200 0.213 0.000 0.835 360 S CB 1.111 64.376 63.200 0.108 0.000 1.115 360 S HN 0.227 nan 8.310 nan 0.000 0.459 361 Y N -1.219 119.250 120.300 0.282 0.000 2.624 361 Y HA 0.789 5.339 4.550 -0.001 0.000 0.334 361 Y C -1.411 174.700 175.900 0.351 0.000 1.155 361 Y CA -1.205 57.065 58.100 0.285 0.000 1.046 361 Y CB 0.704 39.309 38.460 0.242 0.000 1.316 361 Y HN 0.783 nan 8.280 nan 0.000 0.457 362 K N 1.538 122.244 120.400 0.510 0.000 2.166 362 K HA 0.685 5.005 4.320 -0.001 0.000 0.245 362 K C -1.764 175.125 176.600 0.482 0.000 0.967 362 K CA -1.136 55.410 56.287 0.432 0.000 0.863 362 K CB 2.329 34.939 32.500 0.183 0.000 1.107 362 K HN 0.656 nan 8.250 nan 0.000 0.436 363 L N 0.826 122.323 121.223 0.457 0.000 2.346 363 L HA 0.407 4.746 4.340 -0.001 0.000 0.276 363 L C -1.095 175.919 176.870 0.239 0.000 1.006 363 L CA 0.028 55.059 54.840 0.320 0.000 0.817 363 L CB 1.634 43.880 42.059 0.312 0.000 1.272 363 L HN 0.665 nan 8.230 nan 0.000 0.421 364 E N 3.829 124.129 120.200 0.168 0.000 2.263 364 E HA 0.636 4.986 4.350 -0.001 0.000 0.268 364 E C -1.754 175.055 176.600 0.348 0.000 0.884 364 E CA -0.638 55.875 56.400 0.189 0.000 0.766 364 E CB 2.088 31.801 29.700 0.022 0.000 1.196 364 E HN 0.565 nan 8.360 nan 0.000 0.416 365 V N 0.251 120.379 119.914 0.356 0.000 2.962 365 V HA 0.912 5.032 4.120 -0.001 0.000 0.313 365 V C -0.626 175.423 176.094 -0.075 0.000 1.099 365 V CA -0.658 61.769 62.300 0.212 0.000 0.971 365 V CB 1.841 33.722 31.823 0.098 0.000 1.028 365 V HN 0.518 nan 8.190 nan 0.000 0.430 366 S N 0.516 116.010 115.700 -0.345 0.000 2.537 366 S HA 0.537 5.007 4.470 -0.001 0.000 0.271 366 S C 0.595 175.014 174.600 -0.301 0.000 1.148 366 S CA 0.253 58.063 58.200 -0.650 0.000 0.868 366 S CB 2.030 64.210 63.200 -1.700 0.000 1.115 366 S HN 1.735 nan 8.310 nan 0.000 0.461 367 T N 0.596 115.002 114.554 -0.247 0.000 3.067 367 T HA 0.100 4.450 4.350 -0.001 0.000 0.257 367 T C 0.756 175.469 174.700 0.022 0.000 1.105 367 T CA 1.239 63.290 62.100 -0.082 0.000 1.104 367 T CB -0.525 68.294 68.868 -0.082 0.000 0.925 367 T HN 0.704 nan 8.240 nan 0.000 0.498 368 N N -0.485 118.157 118.700 -0.098 0.000 2.082 368 N HA 0.295 5.034 4.740 -0.001 0.000 0.228 368 N C 1.328 176.550 175.510 -0.480 0.000 1.341 368 N CA 0.222 53.227 53.050 -0.075 0.000 0.873 368 N CB 0.031 38.456 38.487 -0.102 0.000 1.137 368 N HN 0.425 nan 8.380 nan 0.000 0.505 369 G N 0.397 108.537 108.800 -1.100 0.000 2.184 369 G HA2 -0.398 3.562 3.960 -0.001 0.000 0.264 369 G HA3 -0.398 3.562 3.960 -0.001 0.000 0.264 369 G C 0.594 175.123 174.900 -0.619 0.000 0.975 369 G CA 0.865 45.033 45.100 -1.553 0.000 0.642 369 G HN 0.577 nan 8.290 nan 0.000 0.536 370 E N -0.502 119.377 120.200 -0.535 0.000 2.354 370 E HA 0.126 4.476 4.350 -0.001 0.000 0.203 370 E C -0.152 176.383 176.600 -0.109 0.000 0.841 370 E CA 0.081 56.397 56.400 -0.140 0.000 1.046 370 E CB 0.509 30.158 29.700 -0.086 0.000 1.040 370 E HN 0.344 nan 8.360 nan 0.000 0.504 371 D N 0.243 120.440 120.400 -0.337 0.000 2.280 371 D HA 0.183 4.822 4.640 -0.001 0.000 0.236 371 D C -1.238 174.791 176.300 -0.451 0.000 1.082 371 D CA -0.118 53.798 54.000 -0.140 0.000 0.834 371 D CB 0.658 41.427 40.800 -0.053 0.000 1.100 371 D HN 0.105 nan 8.370 nan 0.000 0.486 372 W N 1.681 122.968 121.300 -0.022 0.000 2.761 372 W HA 0.497 5.157 4.660 -0.001 0.000 0.340 372 W C 0.101 176.568 176.519 -0.087 0.000 1.072 372 W CA -1.024 56.268 57.345 -0.087 0.000 1.215 372 W CB 1.763 31.180 29.460 -0.073 0.000 1.420 372 W HN 0.046 nan 8.180 nan 0.000 0.519 373 M N 2.665 122.279 119.600 0.023 0.000 2.326 373 M HA 0.567 5.046 4.480 -0.001 0.000 0.306 373 M C -1.654 174.703 176.300 0.094 0.000 1.054 373 M CA -0.729 54.498 55.300 -0.122 0.000 0.922 373 M CB 1.229 33.415 32.600 -0.690 0.000 1.632 373 M HN 0.148 nan 8.290 nan 0.000 0.436 374 V N 5.496 125.499 119.914 0.150 0.000 2.432 374 V HA 0.129 4.248 4.120 -0.001 0.000 0.271 374 V C -0.434 175.782 176.094 0.204 0.000 1.046 374 V CA -0.395 61.979 62.300 0.122 0.000 0.945 374 V CB 0.446 32.211 31.823 -0.097 0.000 0.992 374 V HN 0.780 nan 8.190 nan 0.000 0.471 375 Y N 6.783 127.157 120.300 0.124 0.000 2.810 375 Y HA 0.069 4.619 4.550 -0.000 0.000 0.332 375 Y C 0.939 176.921 175.900 0.136 0.000 1.243 375 Y CA 0.517 58.703 58.100 0.143 0.000 1.537 375 Y CB 0.199 38.800 38.460 0.235 0.000 1.265 375 Y HN 0.540 nan 8.280 nan 0.000 0.572 376 R N 4.146 124.447 120.500 -0.332 0.000 2.720 376 R HA 0.284 4.624 4.340 -0.001 0.000 0.272 376 R C -1.392 174.703 176.300 -0.342 0.000 0.991 376 R CA -1.043 54.945 56.100 -0.186 0.000 1.010 376 R CB 1.542 31.763 30.300 -0.131 0.000 1.141 376 R HN 0.821 nan 8.270 nan 0.000 0.494 377 H N -0.329 118.589 119.070 -0.253 0.000 3.013 377 H HA 0.332 4.887 4.556 -0.001 0.000 0.326 377 H C 0.430 175.674 175.328 -0.139 0.000 0.973 377 H CA 0.618 56.506 56.048 -0.267 0.000 1.369 377 H CB 0.974 30.569 29.762 -0.278 0.000 1.598 377 H HN 0.896 nan 8.280 nan 0.000 0.518 378 G N 4.298 113.021 108.800 -0.130 0.000 2.564 378 G HA2 -0.364 3.596 3.960 -0.001 0.000 0.273 378 G HA3 -0.364 3.596 3.960 -0.001 0.000 0.273 378 G C 0.789 175.677 174.900 -0.020 0.000 1.242 378 G CA 0.267 45.347 45.100 -0.033 0.000 0.951 378 G HN 0.571 nan 8.290 nan 0.000 0.564 379 K N 1.620 122.019 120.400 -0.000 0.000 1.965 379 K HA -0.068 4.252 4.320 -0.001 0.000 0.214 379 K C 1.707 178.290 176.600 -0.029 0.000 1.046 379 K CA 1.730 58.011 56.287 -0.011 0.000 0.944 379 K CB -0.934 31.561 32.500 -0.008 0.000 0.726 379 K HN 0.819 nan 8.250 nan 0.000 0.441 380 N N 0.727 119.405 118.700 -0.037 0.000 2.364 380 N HA 0.013 4.752 4.740 -0.001 0.000 0.264 380 N C 0.221 175.713 175.510 -0.031 0.000 1.263 380 N CA -0.427 52.566 53.050 -0.095 0.000 0.959 380 N CB 0.073 38.505 38.487 -0.091 0.000 1.204 380 N HN 0.153 nan 8.380 nan 0.000 0.550 381 H N -0.766 118.320 119.070 0.027 0.000 2.830 381 H HA -0.004 4.551 4.556 -0.000 0.000 0.382 381 H C -0.094 175.237 175.328 0.004 0.000 1.423 381 H CA 0.097 56.168 56.048 0.037 0.000 1.464 381 H CB 0.471 30.274 29.762 0.068 0.000 1.495 381 H HN 0.453 nan 8.280 nan 0.000 0.617 382 K N 1.152 121.651 120.400 0.164 0.000 2.316 382 K HA 0.248 4.567 4.320 -0.001 0.000 0.267 382 K C -1.619 174.912 176.600 -0.114 0.000 1.025 382 K CA -0.419 55.842 56.287 -0.044 0.000 0.896 382 K CB 0.712 33.180 32.500 -0.053 0.000 1.124 382 K HN 0.270 nan 8.250 nan 0.000 0.451 383 V N 6.402 126.234 119.914 -0.137 0.000 2.408 383 V HA 0.306 4.425 4.120 -0.001 0.000 0.267 383 V C -0.474 175.455 176.094 -0.275 0.000 1.047 383 V CA -0.308 61.927 62.300 -0.108 0.000 0.937 383 V CB -0.096 31.706 31.823 -0.036 0.000 0.999 383 V HN 0.602 nan 8.190 nan 0.000 0.472 384 F N 3.745 123.537 119.950 -0.264 0.000 2.411 384 F HA 0.362 4.889 4.527 -0.000 0.000 0.350 384 F C 0.859 176.436 175.800 -0.373 0.000 1.114 384 F CA -0.443 57.292 58.000 -0.442 0.000 1.135 384 F CB 0.977 39.329 39.000 -1.080 0.000 1.120 384 F HN 0.374 nan 8.300 nan 0.000 0.495 385 Q N 3.321 123.112 119.800 -0.016 0.000 2.307 385 Q HA 0.337 4.676 4.340 -0.001 0.000 0.261 385 Q C 0.341 176.395 176.000 0.091 0.000 1.051 385 Q CA -0.092 55.731 55.803 0.034 0.000 0.911 385 Q CB 1.303 30.063 28.738 0.037 0.000 1.227 385 Q HN 0.878 nan 8.270 nan 0.000 0.418 386 A N 4.592 127.507 122.820 0.159 0.000 3.909 386 A HA 0.248 4.567 4.320 -0.001 0.000 0.180 386 A C 0.249 177.970 177.584 0.228 0.000 1.812 386 A CA -0.032 52.174 52.037 0.282 0.000 1.557 386 A CB -0.004 19.276 19.000 0.465 0.000 1.216 386 A HN 0.712 nan 8.150 nan 0.000 0.386 387 N N -0.544 118.323 118.700 0.278 0.000 2.482 387 N HA 0.385 5.125 4.740 -0.001 0.000 0.279 387 N C -0.449 175.168 175.510 0.177 0.000 1.182 387 N CA -0.411 52.752 53.050 0.188 0.000 0.969 387 N CB 0.578 39.179 38.487 0.190 0.000 1.201 387 N HN 0.420 nan 8.380 nan 0.000 0.523 388 N N -0.433 118.221 118.700 -0.076 0.000 2.184 388 N HA 0.111 4.850 4.740 -0.001 0.000 0.206 388 N C -1.393 173.658 175.510 -0.766 0.000 1.151 388 N CA 0.060 53.027 53.050 -0.138 0.000 0.878 388 N CB 0.185 38.633 38.487 -0.065 0.000 1.014 388 N HN 0.721 nan 8.380 nan 0.000 0.512 389 D N -2.783 116.857 120.400 -1.267 0.000 2.738 389 D HA 0.475 5.115 4.640 -0.001 0.000 0.308 389 D C 0.381 176.167 176.300 -0.857 0.000 1.311 389 D CA -0.651 52.550 54.000 -1.332 0.000 0.799 389 D CB 0.354 40.839 40.800 -0.524 0.000 1.332 389 D HN -0.135 nan 8.370 nan 0.000 0.441 390 A N -0.252 122.348 122.820 -0.367 0.000 1.855 390 A HA -0.010 4.309 4.320 -0.001 0.000 0.215 390 A C 2.074 179.620 177.584 -0.064 0.000 1.191 390 A CA 2.955 54.964 52.037 -0.047 0.000 0.613 390 A CB -1.570 17.471 19.000 0.068 0.000 0.829 390 A HN 0.793 nan 8.150 nan 0.000 0.442 391 T N -1.250 113.248 114.554 -0.092 0.000 2.698 391 T HA -0.017 4.332 4.350 -0.001 0.000 0.260 391 T C 0.857 175.499 174.700 -0.097 0.000 1.044 391 T CA 0.896 62.948 62.100 -0.081 0.000 1.149 391 T CB -0.579 68.251 68.868 -0.062 0.000 0.864 391 T HN 0.527 nan 8.240 nan 0.000 0.419 392 E N 0.913 121.057 120.200 -0.093 0.000 2.418 392 E HA 0.340 4.689 4.350 -0.001 0.000 0.261 392 E C -0.826 175.747 176.600 -0.045 0.000 1.070 392 E CA -0.402 55.961 56.400 -0.062 0.000 0.931 392 E CB 0.921 30.586 29.700 -0.060 0.000 0.954 392 E HN 0.162 nan 8.360 nan 0.000 0.439 393 V N 2.876 122.787 119.914 -0.004 0.000 2.481 393 V HA 0.237 4.357 4.120 -0.001 0.000 0.286 393 V C -0.121 176.005 176.094 0.054 0.000 1.042 393 V CA -0.578 61.743 62.300 0.035 0.000 0.928 393 V CB 1.707 33.588 31.823 0.096 0.000 0.986 393 V HN 0.337 nan 8.190 nan 0.000 0.462 394 V N 5.685 125.646 119.914 0.079 0.000 2.487 394 V HA 0.450 4.570 4.120 -0.001 0.000 0.298 394 V C -0.432 175.725 176.094 0.105 0.000 1.028 394 V CA -0.543 61.810 62.300 0.089 0.000 0.860 394 V CB 1.713 33.603 31.823 0.112 0.000 0.991 394 V HN 0.657 nan 8.190 nan 0.000 0.427 395 L N 5.203 126.467 121.223 0.069 0.000 2.325 395 L HA 0.649 4.989 4.340 -0.001 0.000 0.279 395 L C -0.202 176.697 176.870 0.049 0.000 1.054 395 L CA 0.296 55.160 54.840 0.040 0.000 0.804 395 L CB 1.465 43.499 42.059 -0.041 0.000 1.200 395 L HN 0.583 nan 8.230 nan 0.000 0.436 396 N N 3.583 122.312 118.700 0.048 0.000 2.519 396 N HA 0.280 5.019 4.740 -0.001 0.000 0.286 396 N C -1.433 174.089 175.510 0.019 0.000 1.079 396 N CA -0.564 52.530 53.050 0.074 0.000 0.878 396 N CB 1.785 40.372 38.487 0.166 0.000 1.375 396 N HN 0.514 nan 8.380 nan 0.000 0.514 397 K N 2.162 122.549 120.400 -0.022 0.000 2.258 397 K HA 0.379 4.699 4.320 -0.001 0.000 0.284 397 K C 0.225 176.790 176.600 -0.059 0.000 1.051 397 K CA -0.501 55.756 56.287 -0.050 0.000 0.923 397 K CB 1.641 34.097 32.500 -0.074 0.000 1.046 397 K HN 0.312 nan 8.250 nan 0.000 0.474 398 L N 6.031 127.256 121.223 0.004 0.000 2.500 398 L HA -0.017 4.323 4.340 -0.001 0.000 0.272 398 L C 1.737 178.664 176.870 0.094 0.000 1.149 398 L CA -0.190 54.706 54.840 0.094 0.000 0.897 398 L CB -0.371 41.776 42.059 0.147 0.000 1.178 398 L HN 0.808 nan 8.230 nan 0.000 0.473 399 H N 2.620 121.826 119.070 0.227 0.000 1.682 399 H HA -0.322 4.234 4.556 -0.001 0.000 0.142 399 H C 0.686 176.110 175.328 0.160 0.000 1.197 399 H CA 1.831 58.003 56.048 0.207 0.000 1.770 399 H CB -0.380 29.548 29.762 0.275 0.000 2.113 399 H HN 0.741 nan 8.280 nan 0.000 0.894 400 A N 1.283 124.318 122.820 0.358 0.000 2.539 400 A HA 0.515 4.834 4.320 -0.001 0.000 0.296 400 A C -2.429 175.296 177.584 0.235 0.000 1.073 400 A CA -1.311 50.862 52.037 0.227 0.000 0.700 400 A CB 1.645 20.753 19.000 0.180 0.000 1.296 400 A HN 0.035 nan 8.150 nan 0.000 0.405 401 P HA 0.314 nan 4.420 nan 0.000 0.267 401 P C -0.993 176.403 177.300 0.160 0.000 1.200 401 P CA 0.090 63.271 63.100 0.136 0.000 0.772 401 P CB 0.579 32.338 31.700 0.098 0.000 0.855 402 L N 3.625 124.935 121.223 0.146 0.000 2.381 402 L HA 0.457 4.797 4.340 -0.001 0.000 0.274 402 L C -1.243 175.686 176.870 0.098 0.000 0.988 402 L CA -1.038 53.898 54.840 0.159 0.000 0.824 402 L CB 1.600 43.782 42.059 0.206 0.000 1.263 402 L HN 0.144 nan 8.230 nan 0.000 0.410 403 L N 5.189 126.459 121.223 0.079 0.000 2.257 403 L HA 0.771 5.111 4.340 -0.001 0.000 0.290 403 L C -0.147 176.737 176.870 0.023 0.000 1.044 403 L CA 0.812 55.682 54.840 0.049 0.000 0.810 403 L CB 0.824 42.910 42.059 0.046 0.000 1.193 403 L HN 0.864 nan 8.230 nan 0.000 0.425 404 T N 3.590 118.152 114.554 0.013 0.000 2.665 404 T HA 0.439 4.788 4.350 -0.001 0.000 0.303 404 T C 0.205 174.887 174.700 -0.031 0.000 1.334 404 T CA -0.046 62.047 62.100 -0.012 0.000 1.011 404 T CB 1.254 70.122 68.868 -0.001 0.000 1.573 404 T HN 0.747 nan 8.240 nan 0.000 0.492 405 R N -0.815 119.650 120.500 -0.058 0.000 2.493 405 R HA 0.408 4.748 4.340 -0.001 0.000 0.177 405 R C -0.601 175.543 176.300 -0.261 0.000 0.861 405 R CA 0.007 56.002 56.100 -0.174 0.000 1.083 405 R CB 0.333 30.493 30.300 -0.233 0.000 1.328 405 R HN 0.436 nan 8.270 nan 0.000 0.615 406 F N 1.748 121.627 119.950 -0.119 0.000 2.408 406 F HA 0.460 4.986 4.527 -0.001 0.000 0.344 406 F C -0.299 175.532 175.800 0.052 0.000 1.112 406 F CA -0.703 57.271 58.000 -0.044 0.000 1.096 406 F CB 2.083 41.026 39.000 -0.095 0.000 1.129 406 F HN -0.268 nan 8.300 nan 0.000 0.486 407 V N 4.255 124.324 119.914 0.258 0.000 2.540 407 V HA 0.565 4.684 4.120 -0.001 0.000 0.302 407 V C -0.407 175.779 176.094 0.153 0.000 1.035 407 V CA -0.986 61.425 62.300 0.186 0.000 0.873 407 V CB 2.100 33.955 31.823 0.052 0.000 0.992 407 V HN 0.658 nan 8.190 nan 0.000 0.428 408 R N 4.246 124.810 120.500 0.107 0.000 2.480 408 R HA 0.603 4.942 4.340 -0.001 0.000 0.306 408 R C -1.273 175.008 176.300 -0.032 0.000 0.958 408 R CA -0.781 55.293 56.100 -0.044 0.000 0.861 408 R CB 1.864 31.995 30.300 -0.283 0.000 1.171 408 R HN 0.464 nan 8.270 nan 0.000 0.445 409 I N 3.220 123.742 120.570 -0.081 0.000 2.396 409 I HA 0.311 4.481 4.170 -0.001 0.000 0.292 409 I C 0.384 176.512 176.117 0.019 0.000 0.999 409 I CA -0.483 60.757 61.300 -0.100 0.000 1.310 409 I CB 1.104 38.924 38.000 -0.300 0.000 1.404 409 I HN 0.475 nan 8.210 nan 0.000 0.496 410 R N 6.281 126.867 120.500 0.143 0.000 2.412 410 R HA 0.373 4.713 4.340 -0.001 0.000 0.304 410 R C -2.593 173.898 176.300 0.319 0.000 1.066 410 R CA -1.710 54.518 56.100 0.214 0.000 0.923 410 R CB 1.605 32.011 30.300 0.176 0.000 1.156 410 R HN 0.284 nan 8.270 nan 0.000 0.513 411 P HA -0.016 nan 4.420 nan 0.000 0.266 411 P C 0.010 177.622 177.300 0.521 0.000 1.195 411 P CA 0.076 63.437 63.100 0.435 0.000 0.768 411 P CB 0.969 32.862 31.700 0.323 0.000 0.838 412 Q N 0.404 120.515 119.800 0.519 0.000 2.619 412 Q HA 0.118 4.457 4.340 -0.001 0.000 0.230 412 Q C 0.702 176.761 176.000 0.099 0.000 0.871 412 Q CA 1.250 57.264 55.803 0.353 0.000 0.934 412 Q CB -0.177 28.686 28.738 0.208 0.000 1.183 412 Q HN 0.598 nan 8.270 nan 0.000 0.631 413 T N -1.587 112.997 114.554 0.050 0.000 2.916 413 T HA 0.692 5.042 4.350 -0.001 0.000 0.292 413 T C -1.019 173.700 174.700 0.033 0.000 1.055 413 T CA -0.797 61.083 62.100 -0.367 0.000 1.009 413 T CB 1.851 70.566 68.868 -0.255 0.000 1.118 413 T HN 0.285 nan 8.240 nan 0.000 0.497 414 W N -0.588 120.714 121.300 0.004 0.000 3.005 414 W HA 0.680 5.340 4.660 -0.000 0.000 0.343 414 W C -1.440 174.980 176.519 -0.166 0.000 1.243 414 W CA -1.249 56.060 57.345 -0.060 0.000 1.186 414 W CB 0.449 29.893 29.460 -0.027 0.000 1.453 414 W HN 1.017 nan 8.180 nan 0.000 0.575 415 H N 0.949 119.853 119.070 -0.276 0.000 2.488 415 H HA 0.482 5.038 4.556 -0.001 0.000 0.322 415 H C 1.020 176.276 175.328 -0.120 0.000 1.078 415 H CA 1.204 57.019 56.048 -0.389 0.000 1.260 415 H CB 1.904 31.073 29.762 -0.988 0.000 1.425 415 H HN 0.717 nan 8.280 nan 0.000 0.471 416 S N 2.177 117.740 115.700 -0.228 0.000 2.557 416 S HA -0.257 4.213 4.470 -0.001 0.000 0.240 416 S C 0.707 175.438 174.600 0.219 0.000 1.210 416 S CA 1.775 59.941 58.200 -0.056 0.000 2.526 416 S CB -1.541 61.565 63.200 -0.156 0.000 1.373 416 S HN 1.188 nan 8.310 nan 0.000 0.497 417 G N -0.674 108.324 108.800 0.330 0.000 2.788 417 G HA2 0.644 4.604 3.960 -0.001 0.000 0.293 417 G HA3 0.644 4.604 3.960 -0.001 0.000 0.293 417 G C -1.260 173.539 174.900 -0.170 0.000 1.392 417 G CA -0.561 44.576 45.100 0.062 0.000 0.810 417 G HN 0.507 nan 8.290 nan 0.000 0.508 418 I N 1.970 122.218 120.570 -0.535 0.000 2.269 418 I HA 0.441 4.611 4.170 -0.001 0.000 0.293 418 I C 0.586 176.522 176.117 -0.302 0.000 1.106 418 I CA -0.209 60.807 61.300 -0.473 0.000 1.248 418 I CB 0.691 38.249 38.000 -0.736 0.000 1.444 418 I HN 0.484 nan 8.210 nan 0.000 0.497 419 A N 7.095 129.902 122.820 -0.023 0.000 2.325 419 A HA 0.878 5.198 4.320 -0.001 0.000 0.333 419 A C -1.064 176.653 177.584 0.221 0.000 1.155 419 A CA -0.453 51.655 52.037 0.118 0.000 0.814 419 A CB 1.568 20.742 19.000 0.289 0.000 1.206 419 A HN 0.543 nan 8.150 nan 0.000 0.482 420 L N 1.504 122.890 121.223 0.272 0.000 2.562 420 L HA 0.557 4.896 4.340 -0.001 0.000 0.266 420 L C -0.541 176.454 176.870 0.209 0.000 0.949 420 L CA 0.107 55.106 54.840 0.264 0.000 0.879 420 L CB 1.822 44.101 42.059 0.366 0.000 1.278 420 L HN 0.896 nan 8.230 nan 0.000 0.404 421 R N 3.538 124.113 120.500 0.125 0.000 2.807 421 R HA 0.914 5.253 4.340 -0.001 0.000 0.276 421 R C -1.810 174.507 176.300 0.028 0.000 0.979 421 R CA -1.059 55.081 56.100 0.067 0.000 0.928 421 R CB 2.726 33.048 30.300 0.037 0.000 1.191 421 R HN 0.515 nan 8.270 nan 0.000 0.471 422 L N 0.961 122.184 121.223 0.000 0.000 2.513 422 L HA 0.467 4.807 4.340 -0.001 0.000 0.261 422 L C -1.718 175.117 176.870 -0.058 0.000 0.945 422 L CA -0.384 54.433 54.840 -0.039 0.000 0.848 422 L CB 2.256 44.264 42.059 -0.085 0.000 1.334 422 L HN 0.629 nan 8.230 nan 0.000 0.407 423 E N 3.294 123.450 120.200 -0.074 0.000 2.288 423 E HA 0.715 5.065 4.350 -0.001 0.000 0.268 423 E C -1.913 174.528 176.600 -0.266 0.000 0.885 423 E CA -0.380 55.884 56.400 -0.227 0.000 0.767 423 E CB 1.865 31.358 29.700 -0.345 0.000 1.220 423 E HN 0.678 nan 8.360 nan 0.000 0.427 424 L N 3.858 124.864 121.223 -0.360 0.000 2.329 424 L HA 0.591 4.931 4.340 -0.001 0.000 0.279 424 L C -0.805 175.818 176.870 -0.413 0.000 1.014 424 L CA -0.824 53.871 54.840 -0.242 0.000 0.814 424 L CB 0.891 42.867 42.059 -0.139 0.000 1.257 424 L HN 0.530 nan 8.230 nan 0.000 0.424 425 F N 0.605 120.536 119.950 -0.033 0.000 2.546 425 F HA 0.843 5.370 4.527 -0.001 0.000 0.320 425 F C 0.710 176.498 175.800 -0.020 0.000 1.076 425 F CA -0.242 57.743 58.000 -0.025 0.000 0.928 425 F CB 2.253 41.235 39.000 -0.030 0.000 1.189 425 F HN 0.571 nan 8.300 nan 0.000 0.465 426 G N -0.204 108.703 108.800 0.178 0.000 2.566 426 G HA2 0.449 4.408 3.960 -0.001 0.000 0.138 426 G HA3 0.449 4.408 3.960 -0.001 0.000 0.138 426 G C -1.367 173.597 174.900 0.107 0.000 1.133 426 G CA -0.034 45.132 45.100 0.110 0.000 1.037 426 G HN 1.409 nan 8.290 nan 0.000 0.491 427 c N -1.943 116.724 118.600 0.112 0.000 3.209 427 c HA 0.818 5.388 4.570 -0.001 0.000 0.353 427 c C -1.034 173.124 174.090 0.114 0.000 1.436 427 c CA -1.128 55.298 56.329 0.162 0.000 1.186 427 c CB 0.866 43.570 42.510 0.324 0.000 1.550 427 c HN 0.954 nan 8.230 nan 0.000 0.435 428 R N 1.044 121.601 120.500 0.095 0.000 2.357 428 R HA 0.398 4.738 4.340 -0.001 0.000 0.296 428 R C 1.323 177.649 176.300 0.043 0.000 1.052 428 R CA 0.312 56.433 56.100 0.035 0.000 0.988 428 R CB 1.679 31.963 30.300 -0.026 0.000 1.025 428 R HN 1.282 nan 8.270 nan 0.000 0.469 429 V N 2.567 122.501 119.914 0.032 0.000 2.546 429 V HA -0.220 3.899 4.120 -0.001 0.000 0.254 429 V C 1.668 177.763 176.094 0.002 0.000 1.076 429 V CA 2.520 64.837 62.300 0.028 0.000 1.087 429 V CB -0.315 31.521 31.823 0.023 0.000 0.674 429 V HN 0.828 nan 8.190 nan 0.000 0.470 430 T N -0.430 114.110 114.554 -0.023 0.000 3.160 430 T HA -0.042 4.308 4.350 -0.001 0.000 0.257 430 T C 1.159 175.804 174.700 -0.091 0.000 1.147 430 T CA 1.144 63.211 62.100 -0.054 0.000 1.064 430 T CB -0.461 68.365 68.868 -0.071 0.000 0.949 430 T HN 0.678 nan 8.240 nan 0.000 0.526 431 D N 1.232 121.576 120.400 -0.094 0.000 2.333 431 D HA 0.239 4.879 4.640 -0.001 0.000 0.208 431 D C 1.018 177.204 176.300 -0.189 0.000 0.984 431 D CA 0.085 53.943 54.000 -0.237 0.000 0.873 431 D CB -0.127 40.477 40.800 -0.326 0.000 0.935 431 D HN 0.447 nan 8.370 nan 0.000 0.521 432 A N 2.041 124.839 122.820 -0.037 0.000 2.448 432 A HA 0.316 4.636 4.320 -0.001 0.000 0.239 432 A C -2.173 175.383 177.584 -0.046 0.000 1.080 432 A CA -0.681 51.354 52.037 -0.003 0.000 0.779 432 A CB -0.178 18.832 19.000 0.017 0.000 1.026 432 A HN -0.036 nan 8.150 nan 0.000 0.499 433 P HA 0.221 nan 4.420 nan 0.000 0.282 433 P C 0.005 177.290 177.300 -0.025 0.000 1.249 433 P CA -0.091 62.987 63.100 -0.036 0.000 0.806 433 P CB 0.700 32.388 31.700 -0.021 0.000 0.984 434 c N 2.359 120.944 118.600 -0.025 0.000 3.112 434 c HA -0.118 4.452 4.570 -0.001 0.000 0.265 434 c C 0.883 174.960 174.090 -0.021 0.000 1.283 434 c CA 1.424 57.744 56.329 -0.014 0.000 2.378 434 c CB -2.982 39.527 42.510 -0.002 0.000 1.500 434 c HN 0.694 nan 8.230 nan 0.000 0.483 435 S N 2.550 118.233 115.700 -0.028 0.000 3.025 435 S HA 0.248 4.718 4.470 -0.001 0.000 0.251 435 S C 0.066 174.649 174.600 -0.027 0.000 0.954 435 S CA -0.309 57.872 58.200 -0.033 0.000 1.092 435 S CB -0.227 62.954 63.200 -0.033 0.000 1.079 435 S HN 0.837 nan 8.310 nan 0.000 0.543 436 N N 1.969 120.657 118.700 -0.020 0.000 2.454 436 N HA 0.143 4.883 4.740 -0.001 0.000 0.254 436 N C -0.015 175.491 175.510 -0.007 0.000 1.228 436 N CA 0.482 53.523 53.050 -0.015 0.000 0.900 436 N CB 0.313 38.796 38.487 -0.007 0.000 1.089 436 N HN 0.502 nan 8.380 nan 0.000 0.449 437 M N 2.166 121.765 119.600 -0.002 0.000 2.219 437 M HA 0.056 4.536 4.480 -0.001 0.000 0.353 437 M C 1.051 177.356 176.300 0.009 0.000 1.304 437 M CA 0.127 55.431 55.300 0.007 0.000 1.115 437 M CB 0.557 33.167 32.600 0.016 0.000 1.664 437 M HN 0.335 nan 8.290 nan 0.000 0.459 438 L N 2.324 123.553 121.223 0.010 0.000 2.607 438 L HA 0.243 4.583 4.340 -0.001 0.000 0.228 438 L C 1.277 178.150 176.870 0.004 0.000 1.123 438 L CA 0.262 55.106 54.840 0.007 0.000 0.890 438 L CB 0.098 42.161 42.059 0.008 0.000 1.103 438 L HN 1.134 nan 8.230 nan 0.000 0.468 439 G N -1.903 106.903 108.800 0.010 0.000 2.738 439 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.195 439 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.195 439 G C 0.943 175.849 174.900 0.010 0.000 1.001 439 G CA -0.195 44.910 45.100 0.008 0.000 0.759 439 G HN -0.088 nan 8.290 nan 0.000 0.494 440 M N 0.314 119.923 119.600 0.015 0.000 2.108 440 M HA 0.124 4.604 4.480 -0.001 0.000 0.261 440 M C 2.439 178.751 176.300 0.020 0.000 1.066 440 M CA 1.663 56.973 55.300 0.016 0.000 1.107 440 M CB -1.108 31.506 32.600 0.024 0.000 1.356 440 M HN 0.392 nan 8.290 nan 0.000 0.406 441 L N 0.054 121.295 121.223 0.029 0.000 2.044 441 L HA -0.170 4.170 4.340 -0.001 0.000 0.205 441 L C 2.700 179.597 176.870 0.045 0.000 1.075 441 L CA 1.662 56.526 54.840 0.040 0.000 0.747 441 L CB -0.238 41.850 42.059 0.050 0.000 0.903 441 L HN 0.392 nan 8.230 nan 0.000 0.435 442 S N -0.954 114.772 115.700 0.043 0.000 2.357 442 S HA 0.072 4.542 4.470 -0.001 0.000 0.221 442 S C 1.561 176.171 174.600 0.017 0.000 1.031 442 S CA 0.750 58.978 58.200 0.047 0.000 0.982 442 S CB -0.175 63.053 63.200 0.047 0.000 0.853 442 S HN 0.689 nan 8.310 nan 0.000 0.458 443 G N 0.439 109.240 108.800 0.002 0.000 2.205 443 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.180 443 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.180 443 G C 0.554 175.443 174.900 -0.019 0.000 1.004 443 G CA 0.150 45.238 45.100 -0.020 0.000 0.670 443 G HN 0.436 nan 8.290 nan 0.000 0.496 444 L N 0.379 121.598 121.223 -0.007 0.000 2.217 444 L HA 0.310 4.649 4.340 -0.001 0.000 0.211 444 L C 1.448 178.309 176.870 -0.015 0.000 1.107 444 L CA 0.643 55.478 54.840 -0.009 0.000 0.783 444 L CB -0.083 41.975 42.059 -0.001 0.000 0.919 444 L HN 0.261 nan 8.230 nan 0.000 0.442 445 I N 0.754 121.316 120.570 -0.014 0.000 2.379 445 I HA 0.153 4.323 4.170 -0.001 0.000 0.290 445 I C 0.737 176.842 176.117 -0.020 0.000 1.063 445 I CA -0.397 60.892 61.300 -0.017 0.000 1.351 445 I CB 1.001 38.994 38.000 -0.011 0.000 1.410 445 I HN -0.002 nan 8.210 nan 0.000 0.505 446 A N 4.874 127.682 122.820 -0.021 0.000 2.313 446 A HA 0.152 4.471 4.320 -0.001 0.000 0.261 446 A C 0.945 178.514 177.584 -0.025 0.000 1.090 446 A CA -0.393 51.629 52.037 -0.025 0.000 0.807 446 A CB 0.303 19.292 19.000 -0.018 0.000 1.055 446 A HN 0.749 nan 8.150 nan 0.000 0.492 447 D N 0.414 120.789 120.400 -0.042 0.000 2.133 447 D HA -0.169 4.470 4.640 -0.001 0.000 0.195 447 D C 2.327 178.620 176.300 -0.012 0.000 0.997 447 D CA 2.177 56.142 54.000 -0.058 0.000 0.840 447 D CB -0.281 40.466 40.800 -0.088 0.000 0.947 447 D HN 0.632 nan 8.370 nan 0.000 0.452 448 S N -0.021 115.684 115.700 0.008 0.000 2.440 448 S HA -0.209 4.261 4.470 -0.001 0.000 0.238 448 S C 1.588 176.225 174.600 0.060 0.000 1.010 448 S CA 0.999 59.224 58.200 0.041 0.000 0.972 448 S CB -0.276 62.946 63.200 0.036 0.000 0.774 448 S HN 0.300 nan 8.310 nan 0.000 0.501 449 Q N 0.060 119.885 119.800 0.043 0.000 2.360 449 Q HA 0.417 4.756 4.340 -0.001 0.000 0.202 449 Q C -0.345 175.705 176.000 0.082 0.000 0.915 449 Q CA 0.166 56.001 55.803 0.052 0.000 0.943 449 Q CB 0.265 29.007 28.738 0.006 0.000 1.064 449 Q HN 0.604 nan 8.270 nan 0.000 0.511 450 I N 1.793 122.418 120.570 0.091 0.000 2.359 450 I HA 0.198 4.368 4.170 -0.001 0.000 0.284 450 I C -0.242 176.014 176.117 0.232 0.000 1.018 450 I CA -0.543 60.833 61.300 0.127 0.000 1.173 450 I CB 1.156 39.199 38.000 0.072 0.000 1.326 450 I HN -0.006 nan 8.210 nan 0.000 0.462 451 S N 4.839 120.673 115.700 0.224 0.000 2.638 451 S HA 0.964 5.434 4.470 -0.001 0.000 0.302 451 S C -0.591 174.026 174.600 0.030 0.000 1.096 451 S CA -0.768 57.561 58.200 0.215 0.000 0.953 451 S CB 2.709 66.068 63.200 0.266 0.000 1.107 451 S HN 0.665 nan 8.310 nan 0.000 0.503 452 A N 0.770 123.386 122.820 -0.339 0.000 2.587 452 A HA 0.755 5.075 4.320 -0.001 0.000 0.293 452 A C 0.773 177.535 177.584 -1.371 0.000 1.087 452 A CA -0.256 51.194 52.037 -0.978 0.000 0.692 452 A CB 0.895 19.032 19.000 -1.438 0.000 1.291 452 A HN 1.327 nan 8.150 nan 0.000 0.407 453 S N 0.748 115.200 115.700 -2.080 0.000 2.344 453 S HA -0.011 4.458 4.470 -0.001 0.000 0.217 453 S C 1.192 175.358 174.600 -0.723 0.000 1.033 453 S CA 1.586 58.765 58.200 -1.702 0.000 1.017 453 S CB -0.778 61.407 63.200 -1.693 0.000 0.941 453 S HN 2.032 nan 8.310 nan 0.000 0.430 454 S N 0.521 115.938 115.700 -0.470 0.000 2.751 454 S HA 0.756 5.225 4.470 -0.001 0.000 0.310 454 S C -0.551 173.906 174.600 -0.239 0.000 1.128 454 S CA -0.171 57.857 58.200 -0.287 0.000 0.931 454 S CB 1.745 64.832 63.200 -0.187 0.000 1.177 454 S HN 0.954 nan 8.310 nan 0.000 0.530 455 T N -2.179 112.237 114.554 -0.230 0.000 2.942 455 T HA 0.376 4.725 4.350 -0.001 0.000 0.327 455 T C 0.448 175.088 174.700 -0.099 0.000 1.360 455 T CA -0.386 61.557 62.100 -0.261 0.000 1.055 455 T CB 1.509 69.945 68.868 -0.720 0.000 1.261 455 T HN 0.866 nan 8.240 nan 0.000 0.485 456 Q N 0.758 120.547 119.800 -0.019 0.000 2.137 456 Q HA 0.081 4.420 4.340 -0.001 0.000 0.198 456 Q C 0.448 176.488 176.000 0.066 0.000 0.960 456 Q CA 0.497 56.301 55.803 0.002 0.000 0.847 456 Q CB 0.183 28.898 28.738 -0.037 0.000 0.915 456 Q HN 0.658 nan 8.270 nan 0.000 0.448 457 E N 0.145 120.430 120.200 0.141 0.000 2.313 457 E HA -0.011 4.339 4.350 -0.001 0.000 0.276 457 E C 0.288 177.042 176.600 0.258 0.000 1.031 457 E CA -0.331 56.170 56.400 0.168 0.000 0.857 457 E CB 0.506 30.326 29.700 0.200 0.000 1.040 457 E HN 0.270 nan 8.360 nan 0.000 0.408 458 Y N 2.128 122.450 120.300 0.036 0.000 2.030 458 Y HA -0.238 4.312 4.550 -0.001 0.000 0.272 458 Y C 1.286 177.232 175.900 0.077 0.000 1.185 458 Y CA 1.273 59.390 58.100 0.029 0.000 1.120 458 Y CB -0.383 38.079 38.460 0.003 0.000 0.955 458 Y HN 0.339 nan 8.280 nan 0.000 0.495 459 L N -0.179 121.211 121.223 0.278 0.000 2.294 459 L HA 0.248 4.588 4.340 -0.001 0.000 0.283 459 L C -1.282 175.745 176.870 0.261 0.000 1.015 459 L CA -0.608 54.362 54.840 0.217 0.000 0.831 459 L CB 0.814 42.952 42.059 0.131 0.000 1.217 459 L HN 0.215 nan 8.230 nan 0.000 0.420 460 W N 5.782 127.123 121.300 0.068 0.000 2.475 460 W HA 0.565 5.224 4.660 -0.001 0.000 0.320 460 W C -0.217 176.342 176.519 0.067 0.000 1.022 460 W CA -0.901 56.491 57.345 0.079 0.000 1.240 460 W CB 1.424 30.943 29.460 0.100 0.000 1.328 460 W HN 0.721 nan 8.180 nan 0.000 0.439 461 S N 6.111 121.581 115.700 -0.382 0.000 2.555 461 S HA 0.068 4.538 4.470 -0.001 0.000 0.293 461 S C -1.770 172.101 174.600 -1.216 0.000 1.248 461 S CA -0.534 57.340 58.200 -0.544 0.000 1.096 461 S CB 1.011 64.030 63.200 -0.301 0.000 0.881 461 S HN 0.521 nan 8.310 nan 0.000 0.498 462 P HA -0.020 nan 4.420 nan 0.000 0.220 462 P C 1.253 178.197 177.300 -0.594 0.000 1.148 462 P CA 0.824 63.211 63.100 -1.188 0.000 0.803 462 P CB -0.018 31.398 31.700 -0.474 0.000 0.782 463 S N -0.653 114.812 115.700 -0.392 0.000 2.507 463 S HA -0.033 4.437 4.470 -0.001 0.000 0.235 463 S C 1.892 176.401 174.600 -0.152 0.000 0.988 463 S CA 0.844 58.922 58.200 -0.203 0.000 0.944 463 S CB -0.817 62.295 63.200 -0.147 0.000 0.762 463 S HN 0.146 nan 8.310 nan 0.000 0.526 464 A N 1.056 123.737 122.820 -0.231 0.000 2.076 464 A HA 0.112 4.432 4.320 -0.001 0.000 0.220 464 A C 2.020 179.650 177.584 0.077 0.000 1.160 464 A CA 1.411 53.416 52.037 -0.053 0.000 0.653 464 A CB -0.524 18.461 19.000 -0.025 0.000 0.801 464 A HN 0.503 nan 8.150 nan 0.000 0.455 465 A N -0.626 122.245 122.820 0.084 0.000 2.278 465 A HA 0.220 4.540 4.320 -0.001 0.000 0.212 465 A C 0.974 178.611 177.584 0.089 0.000 1.213 465 A CA -0.401 51.736 52.037 0.167 0.000 0.840 465 A CB -0.116 19.011 19.000 0.212 0.000 0.866 465 A HN 0.477 nan 8.150 nan 0.000 0.489 466 R N 0.060 120.588 120.500 0.046 0.000 2.298 466 R HA 0.300 4.639 4.340 -0.001 0.000 0.310 466 R C -0.350 175.976 176.300 0.043 0.000 1.068 466 R CA -0.680 55.441 56.100 0.035 0.000 0.957 466 R CB 0.677 30.986 30.300 0.016 0.000 1.003 466 R HN 0.353 nan 8.270 nan 0.000 0.454 467 L N 4.650 125.898 121.223 0.041 0.000 2.653 467 L HA -0.244 4.096 4.340 -0.001 0.000 0.288 467 L C 1.160 178.053 176.870 0.037 0.000 1.243 467 L CA 1.053 55.916 54.840 0.038 0.000 0.906 467 L CB 0.389 42.467 42.059 0.033 0.000 1.154 467 L HN 0.735 nan 8.230 nan 0.000 0.498 468 V N 1.440 121.374 119.914 0.033 0.000 0.465 468 V HA -0.483 3.636 4.120 -0.001 0.000 0.092 468 V C 1.891 178.009 176.094 0.039 0.000 2.474 468 V CA 2.577 64.894 62.300 0.027 0.000 3.680 468 V CB -1.909 29.928 31.823 0.024 0.000 0.959 468 V HN 1.127 nan 8.190 nan 0.000 1.006 469 S N -0.826 114.902 115.700 0.048 0.000 2.406 469 S HA 0.038 4.507 4.470 -0.001 0.000 0.224 469 S C 1.101 175.735 174.600 0.056 0.000 1.030 469 S CA 1.142 59.377 58.200 0.060 0.000 0.958 469 S CB 0.012 63.250 63.200 0.064 0.000 0.811 469 S HN 1.351 nan 8.310 nan 0.000 0.489 470 S N 1.638 117.366 115.700 0.046 0.000 2.563 470 S HA 0.112 4.581 4.470 -0.001 0.000 0.294 470 S C 1.265 175.902 174.600 0.063 0.000 1.279 470 S CA -0.523 57.704 58.200 0.046 0.000 1.069 470 S CB 0.286 63.515 63.200 0.049 0.000 0.828 470 S HN 0.351 nan 8.310 nan 0.000 0.497 471 R N 2.422 122.960 120.500 0.064 0.000 2.189 471 R HA -0.026 4.313 4.340 -0.001 0.000 0.223 471 R C 1.820 178.181 176.300 0.101 0.000 1.092 471 R CA 1.448 57.593 56.100 0.074 0.000 0.989 471 R CB -0.567 29.770 30.300 0.062 0.000 0.876 471 R HN 0.861 nan 8.270 nan 0.000 0.457 472 S N -2.483 113.290 115.700 0.121 0.000 4.098 472 S HA 0.427 4.896 4.470 -0.001 0.000 0.193 472 S C 0.615 175.304 174.600 0.148 0.000 1.049 472 S CA 0.353 58.662 58.200 0.182 0.000 1.034 472 S CB 1.279 64.625 63.200 0.244 0.000 1.380 472 S HN 0.362 nan 8.310 nan 0.000 0.629 473 G N 0.307 109.179 108.800 0.120 0.000 2.347 473 G HA2 0.261 4.220 3.960 -0.001 0.000 0.321 473 G HA3 0.261 4.220 3.960 -0.001 0.000 0.321 473 G C -2.104 172.806 174.900 0.016 0.000 1.412 473 G CA -0.475 44.613 45.100 -0.020 0.000 0.990 473 G HN 0.822 nan 8.290 nan 0.000 0.637 474 W N 1.442 122.652 121.300 -0.150 0.000 2.388 474 W HA 0.753 5.413 4.660 -0.000 0.000 0.308 474 W C -1.239 175.078 176.519 -0.337 0.000 1.263 474 W CA -1.749 55.583 57.345 -0.022 0.000 1.286 474 W CB 0.099 29.593 29.460 0.057 0.000 1.294 474 W HN 0.337 nan 8.180 nan 0.000 0.493 475 F N 8.674 128.337 119.950 -0.479 0.000 2.482 475 F HA 0.466 4.993 4.527 -0.001 0.000 0.331 475 F C -1.547 173.741 175.800 -0.853 0.000 1.115 475 F CA -2.398 55.163 58.000 -0.731 0.000 0.955 475 F CB 1.296 40.110 39.000 -0.311 0.000 1.136 475 F HN 0.183 nan 8.300 nan 0.000 0.452 476 P HA 0.184 nan 4.420 nan 0.000 0.279 476 P C 0.600 177.765 177.300 -0.224 0.000 1.282 476 P CA -0.520 62.330 63.100 -0.417 0.000 0.788 476 P CB 1.029 32.446 31.700 -0.472 0.000 1.139 477 R N 0.246 120.650 120.500 -0.160 0.000 2.062 477 R HA 0.045 4.384 4.340 -0.001 0.000 0.231 477 R C 0.424 176.658 176.300 -0.109 0.000 1.136 477 R CA 1.227 57.264 56.100 -0.106 0.000 0.948 477 R CB -0.366 29.886 30.300 -0.080 0.000 0.845 477 R HN 0.428 nan 8.270 nan 0.000 0.430 478 I N 2.743 123.242 120.570 -0.119 0.000 2.306 478 I HA 0.175 4.345 4.170 -0.001 0.000 0.288 478 I C -1.827 174.185 176.117 -0.175 0.000 1.036 478 I CA -2.226 59.005 61.300 -0.115 0.000 1.221 478 I CB 2.048 40.003 38.000 -0.076 0.000 1.385 478 I HN 0.082 nan 8.210 nan 0.000 0.472 479 P HA -0.047 nan 4.420 nan 0.000 0.245 479 P C -0.175 176.904 177.300 -0.369 0.000 1.212 479 P CA 0.703 63.623 63.100 -0.300 0.000 0.774 479 P CB 0.154 31.730 31.700 -0.207 0.000 0.999 480 Q N 0.266 119.955 119.800 -0.184 0.000 2.636 480 Q HA 0.529 4.869 4.340 -0.001 0.000 0.233 480 Q C -0.009 176.011 176.000 0.032 0.000 1.143 480 Q CA -0.323 55.469 55.803 -0.019 0.000 0.969 480 Q CB 1.320 30.106 28.738 0.081 0.000 1.185 480 Q HN 0.063 nan 8.270 nan 0.000 0.546 481 A N 1.730 124.529 122.820 -0.035 0.000 2.248 481 A HA 0.406 4.725 4.320 -0.001 0.000 0.316 481 A C -0.147 177.594 177.584 0.262 0.000 1.101 481 A CA -0.560 51.500 52.037 0.038 0.000 0.875 481 A CB 0.912 19.856 19.000 -0.094 0.000 1.207 481 A HN 0.572 nan 8.150 nan 0.000 0.504 482 Q N 0.221 120.135 119.800 0.190 0.000 2.286 482 Q HA 0.353 4.692 4.340 -0.001 0.000 0.257 482 Q C -2.376 173.788 176.000 0.274 0.000 0.941 482 Q CA -1.817 54.112 55.803 0.209 0.000 0.912 482 Q CB 0.528 29.338 28.738 0.120 0.000 1.192 482 Q HN 0.381 nan 8.270 nan 0.000 0.410 483 P HA 0.011 nan 4.420 nan 0.000 0.267 483 P C 0.249 177.701 177.300 0.253 0.000 1.200 483 P CA 0.970 64.265 63.100 0.326 0.000 0.772 483 P CB 0.492 32.288 31.700 0.160 0.000 0.855 484 G N 1.407 110.404 108.800 0.327 0.000 2.189 484 G HA2 -0.359 3.600 3.960 -0.001 0.000 0.267 484 G HA3 -0.359 3.600 3.960 -0.001 0.000 0.267 484 G C 1.068 176.199 174.900 0.386 0.000 0.975 484 G CA 0.752 46.038 45.100 0.310 0.000 0.644 484 G HN 0.574 nan 8.290 nan 0.000 0.537 485 E N -0.130 120.262 120.200 0.320 0.000 2.140 485 E HA 0.089 4.439 4.350 -0.001 0.000 0.191 485 E C 0.942 177.688 176.600 0.243 0.000 0.973 485 E CA 0.634 57.184 56.400 0.251 0.000 0.829 485 E CB 0.089 29.877 29.700 0.147 0.000 0.781 485 E HN 0.557 nan 8.360 nan 0.000 0.466 486 E N 0.252 120.583 120.200 0.219 0.000 2.250 486 E HA 0.219 4.568 4.350 -0.001 0.000 0.269 486 E C -0.463 176.268 176.600 0.219 0.000 1.018 486 E CA -0.480 55.965 56.400 0.075 0.000 0.873 486 E CB 1.135 30.851 29.700 0.026 0.000 1.134 486 E HN 0.235 nan 8.360 nan 0.000 0.403 487 W N 0.853 122.189 121.300 0.060 0.000 3.275 487 W HA 0.470 5.130 4.660 -0.001 0.000 0.306 487 W C -1.975 174.210 176.519 -0.556 0.000 1.259 487 W CA -0.868 56.300 57.345 -0.294 0.000 1.194 487 W CB 0.314 29.190 29.460 -0.973 0.000 1.375 487 W HN 0.343 nan 8.180 nan 0.000 0.564 488 L N 2.557 123.646 121.223 -0.222 0.000 2.334 488 L HA 0.551 4.891 4.340 -0.001 0.000 0.276 488 L C -0.319 176.575 176.870 0.039 0.000 1.014 488 L CA -0.419 54.174 54.840 -0.413 0.000 0.815 488 L CB 1.983 43.696 42.059 -0.578 0.000 1.268 488 L HN 0.547 nan 8.230 nan 0.000 0.428 489 Q N 3.150 123.020 119.800 0.117 0.000 2.372 489 Q HA 0.716 5.055 4.340 -0.001 0.000 0.273 489 Q C -2.128 173.960 176.000 0.146 0.000 1.078 489 Q CA -0.803 55.086 55.803 0.143 0.000 0.806 489 Q CB 2.285 31.103 28.738 0.133 0.000 1.332 489 Q HN 0.531 nan 8.270 nan 0.000 0.435 490 V N 3.187 123.190 119.914 0.147 0.000 2.444 490 V HA 0.247 4.366 4.120 -0.001 0.000 0.294 490 V C -0.883 175.254 176.094 0.072 0.000 1.022 490 V CA -0.789 61.571 62.300 0.101 0.000 0.850 490 V CB 1.608 33.472 31.823 0.068 0.000 0.992 490 V HN 0.811 nan 8.190 nan 0.000 0.426 491 D N 4.288 124.703 120.400 0.024 0.000 2.411 491 D HA 0.298 4.938 4.640 -0.001 0.000 0.225 491 D C 0.974 177.153 176.300 -0.202 0.000 1.156 491 D CA -0.183 53.702 54.000 -0.193 0.000 0.874 491 D CB 1.253 42.004 40.800 -0.083 0.000 1.034 491 D HN 0.454 nan 8.370 nan 0.000 0.502 492 L N 2.993 124.064 121.223 -0.253 0.000 2.275 492 L HA 0.099 4.438 4.340 -0.001 0.000 0.215 492 L C 1.978 178.738 176.870 -0.184 0.000 1.119 492 L CA 0.756 55.495 54.840 -0.168 0.000 0.790 492 L CB -0.369 41.608 42.059 -0.137 0.000 0.919 492 L HN 0.721 nan 8.230 nan 0.000 0.443 493 G N 0.005 108.643 108.800 -0.270 0.000 2.284 493 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.230 493 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.230 493 G C 0.397 175.181 174.900 -0.193 0.000 1.021 493 G CA 0.209 45.188 45.100 -0.200 0.000 0.619 493 G HN 0.427 nan 8.290 nan 0.000 0.510 494 T N -1.216 113.212 114.554 -0.210 0.000 2.843 494 T HA 0.680 5.029 4.350 -0.001 0.000 0.302 494 T C -3.491 171.042 174.700 -0.278 0.000 1.232 494 T CA -1.196 60.770 62.100 -0.222 0.000 1.009 494 T CB 3.085 71.845 68.868 -0.180 0.000 1.254 494 T HN 0.208 nan 8.240 nan 0.000 0.504 495 P HA 0.346 nan 4.420 nan 0.000 0.276 495 P C -0.866 176.118 177.300 -0.527 0.000 1.253 495 P CA -0.323 62.486 63.100 -0.486 0.000 0.766 495 P CB 0.549 31.803 31.700 -0.744 0.000 0.845 496 K N 1.870 122.151 120.400 -0.199 0.000 2.306 496 K HA 0.463 4.783 4.320 -0.001 0.000 0.236 496 K C -0.032 176.741 176.600 0.289 0.000 1.013 496 K CA -0.682 55.630 56.287 0.042 0.000 0.857 496 K CB 1.300 33.810 32.500 0.018 0.000 1.214 496 K HN 0.224 nan 8.250 nan 0.000 0.449 497 T N 1.324 116.083 114.554 0.341 0.000 2.728 497 T HA 0.251 4.601 4.350 -0.001 0.000 0.296 497 T C -0.086 174.691 174.700 0.128 0.000 0.940 497 T CA -0.455 61.773 62.100 0.214 0.000 1.013 497 T CB 0.502 69.440 68.868 0.117 0.000 0.912 497 T HN 0.114 nan 8.240 nan 0.000 0.484 498 V N 4.483 124.469 119.914 0.120 0.000 2.427 498 V HA 0.415 4.534 4.120 -0.001 0.000 0.286 498 V C 0.902 177.127 176.094 0.218 0.000 1.034 498 V CA -0.438 61.951 62.300 0.147 0.000 0.893 498 V CB 1.783 33.709 31.823 0.172 0.000 0.982 498 V HN 0.843 nan 8.190 nan 0.000 0.452 499 K N 2.097 122.544 120.400 0.078 0.000 2.481 499 K HA 0.488 4.808 4.320 -0.001 0.000 0.210 499 K C 0.395 176.560 176.600 -0.725 0.000 1.161 499 K CA 0.500 56.725 56.287 -0.104 0.000 1.023 499 K CB 1.135 33.595 32.500 -0.066 0.000 0.971 499 K HN 0.930 nan 8.250 nan 0.000 0.577 500 G N 0.159 108.538 108.800 -0.702 0.000 2.441 500 G HA2 0.396 4.355 3.960 -0.001 0.000 0.294 500 G HA3 0.396 4.355 3.960 -0.001 0.000 0.294 500 G C -1.734 172.994 174.900 -0.287 0.000 1.393 500 G CA -0.482 44.061 45.100 -0.927 0.000 0.796 500 G HN 0.034 nan 8.290 nan 0.000 0.494 501 V N -2.033 117.783 119.914 -0.163 0.000 2.962 501 V HA 0.836 4.956 4.120 -0.001 0.000 0.313 501 V C -0.398 175.696 176.094 0.000 0.000 1.099 501 V CA -1.167 61.140 62.300 0.011 0.000 0.971 501 V CB 1.807 33.703 31.823 0.122 0.000 1.028 501 V HN 0.779 nan 8.190 nan 0.000 0.430 502 I N 3.673 124.250 120.570 0.012 0.000 2.354 502 I HA 0.560 4.729 4.170 -0.001 0.000 0.292 502 I C -0.504 175.618 176.117 0.009 0.000 0.989 502 I CA -0.427 60.886 61.300 0.022 0.000 1.188 502 I CB 1.804 39.816 38.000 0.020 0.000 1.342 502 I HN 0.640 nan 8.210 nan 0.000 0.457 503 I N 6.115 126.692 120.570 0.011 0.000 2.530 503 I HA 0.440 4.610 4.170 -0.001 0.000 0.297 503 I C -0.963 175.168 176.117 0.023 0.000 1.011 503 I CA -0.235 61.044 61.300 -0.036 0.000 1.107 503 I CB 1.894 39.785 38.000 -0.182 0.000 1.285 503 I HN 0.668 nan 8.210 nan 0.000 0.436 504 Q N 4.243 124.061 119.800 0.029 0.000 2.416 504 Q HA 0.545 4.884 4.340 -0.001 0.000 0.281 504 Q C -0.641 175.413 176.000 0.092 0.000 1.067 504 Q CA -0.722 55.114 55.803 0.055 0.000 0.809 504 Q CB 2.277 31.037 28.738 0.038 0.000 1.418 504 Q HN 0.838 nan 8.270 nan 0.000 0.411 505 G N 0.498 109.379 108.800 0.134 0.000 2.525 505 G HA2 0.559 4.519 3.960 -0.001 0.000 0.276 505 G HA3 0.559 4.519 3.960 -0.001 0.000 0.276 505 G C -0.984 174.007 174.900 0.151 0.000 1.388 505 G CA 0.064 45.296 45.100 0.220 0.000 1.050 505 G HN 0.646 nan 8.290 nan 0.000 0.520 506 A N -1.311 121.608 122.820 0.165 0.000 2.355 506 A HA 0.639 4.959 4.320 -0.001 0.000 0.317 506 A C 0.961 178.691 177.584 0.244 0.000 1.094 506 A CA -0.472 51.602 52.037 0.062 0.000 0.764 506 A CB 1.911 20.685 19.000 -0.377 0.000 1.230 506 A HN 0.698 nan 8.150 nan 0.000 0.448 507 R N 2.415 123.063 120.500 0.246 0.000 2.055 507 R HA 0.201 4.540 4.340 -0.001 0.000 0.226 507 R C 0.907 177.294 176.300 0.145 0.000 1.135 507 R CA 1.952 58.198 56.100 0.245 0.000 0.959 507 R CB -0.381 30.055 30.300 0.227 0.000 0.854 507 R HN 0.839 nan 8.270 nan 0.000 0.431 518 R N 0.881 121.392 120.500 0.019 0.000 2.422 518 R HA 0.631 4.971 4.340 -0.001 0.000 0.307 518 R C 0.125 176.556 176.300 0.217 0.000 1.004 518 R CA 0.042 56.166 56.100 0.040 0.000 0.882 518 R CB 1.736 31.932 30.300 -0.174 0.000 1.164 518 R HN 0.710 nan 8.270 nan 0.000 0.489 519 A N 4.038 127.003 122.820 0.242 0.000 2.388 519 A HA 0.575 4.895 4.320 -0.001 0.000 0.257 519 A C -0.455 177.314 177.584 0.310 0.000 1.095 519 A CA -0.028 52.117 52.037 0.180 0.000 0.791 519 A CB 0.012 19.129 19.000 0.194 0.000 1.029 519 A HN 0.678 nan 8.150 nan 0.000 0.489 520 F N -0.337 119.682 119.950 0.115 0.000 2.662 520 F HA 0.641 5.168 4.527 -0.001 0.000 0.312 520 F C -0.909 174.994 175.800 0.171 0.000 1.113 520 F CA -1.406 56.662 58.000 0.113 0.000 0.951 520 F CB 1.189 40.276 39.000 0.144 0.000 1.344 520 F HN 0.262 nan 8.300 nan 0.000 0.462 521 V N 2.554 122.649 119.914 0.301 0.000 2.432 521 V HA 0.383 4.503 4.120 -0.001 0.000 0.275 521 V C 0.642 176.962 176.094 0.377 0.000 1.043 521 V CA -0.396 62.087 62.300 0.304 0.000 0.925 521 V CB 1.247 33.219 31.823 0.248 0.000 0.985 521 V HN 0.852 nan 8.190 nan 0.000 0.466 522 R N 2.721 123.415 120.500 0.322 0.000 2.156 522 R HA 0.257 4.597 4.340 -0.001 0.000 0.207 522 R C 0.026 176.520 176.300 0.323 0.000 1.040 522 R CA 0.559 56.836 56.100 0.296 0.000 1.013 522 R CB 0.348 30.736 30.300 0.148 0.000 0.931 522 R HN 0.543 nan 8.270 nan 0.000 0.465 523 K N 0.323 120.935 120.400 0.354 0.000 2.527 523 K HA 0.339 4.658 4.320 -0.001 0.000 0.260 523 K C -1.309 175.612 176.600 0.535 0.000 0.937 523 K CA -0.658 55.852 56.287 0.371 0.000 0.826 523 K CB 2.650 35.255 32.500 0.176 0.000 1.359 523 K HN -0.101 nan 8.250 nan 0.000 0.434 524 F N -1.140 119.004 119.950 0.324 0.000 2.711 524 F HA 0.641 5.167 4.527 -0.001 0.000 0.313 524 F C -1.396 174.680 175.800 0.460 0.000 1.141 524 F CA -1.217 57.014 58.000 0.386 0.000 0.941 524 F CB 1.392 40.628 39.000 0.394 0.000 1.349 524 F HN 0.226 nan 8.300 nan 0.000 0.464 525 K N 0.968 121.727 120.400 0.599 0.000 2.350 525 K HA 0.846 5.165 4.320 -0.001 0.000 0.241 525 K C -1.763 175.293 176.600 0.760 0.000 0.994 525 K CA -1.277 55.348 56.287 0.562 0.000 0.839 525 K CB 2.822 35.604 32.500 0.470 0.000 1.244 525 K HN 0.507 nan 8.250 nan 0.000 0.443 526 V N 1.303 121.613 119.914 0.659 0.000 2.638 526 V HA 0.398 4.518 4.120 -0.001 0.000 0.306 526 V C -0.777 175.511 176.094 0.324 0.000 1.052 526 V CA -0.732 61.875 62.300 0.511 0.000 0.885 526 V CB 1.727 33.787 31.823 0.395 0.000 0.999 526 V HN 0.964 nan 8.190 nan 0.000 0.424 527 S N 4.306 120.112 115.700 0.177 0.000 2.607 527 S HA 0.925 5.394 4.470 -0.001 0.000 0.303 527 S C -1.038 173.717 174.600 0.258 0.000 1.086 527 S CA -0.629 57.557 58.200 -0.022 0.000 0.995 527 S CB 2.109 65.072 63.200 -0.394 0.000 1.084 527 S HN 0.921 nan 8.310 nan 0.000 0.507 528 Y N -1.274 119.097 120.300 0.118 0.000 2.605 528 Y HA 0.886 5.436 4.550 -0.001 0.000 0.343 528 Y C -0.363 175.410 175.900 -0.212 0.000 1.036 528 Y CA -1.043 57.064 58.100 0.012 0.000 1.065 528 Y CB 1.379 39.834 38.460 -0.008 0.000 1.288 528 Y HN 0.837 nan 8.280 nan 0.000 0.481 529 S N 0.643 116.194 115.700 -0.248 0.000 2.543 529 S HA 0.460 4.930 4.470 -0.001 0.000 0.274 529 S C -0.642 173.851 174.600 -0.177 0.000 1.149 529 S CA -0.763 57.122 58.200 -0.526 0.000 0.866 529 S CB 1.252 63.493 63.200 -1.597 0.000 1.111 529 S HN 0.901 nan 8.310 nan 0.000 0.457 530 L N 3.086 124.236 121.223 -0.121 0.000 2.253 530 L HA 0.233 4.572 4.340 -0.001 0.000 0.205 530 L C 1.765 178.629 176.870 -0.010 0.000 1.078 530 L CA 0.628 55.453 54.840 -0.026 0.000 0.805 530 L CB -0.225 41.821 42.059 -0.022 0.000 0.963 530 L HN 0.687 nan 8.230 nan 0.000 0.459 531 N N -0.261 118.348 118.700 -0.153 0.000 2.457 531 N HA -0.024 4.715 4.740 -0.001 0.000 0.180 531 N C 1.274 176.604 175.510 -0.300 0.000 1.050 531 N CA 0.630 53.587 53.050 -0.154 0.000 0.906 531 N CB 0.226 38.617 38.487 -0.160 0.000 0.968 531 N HN 0.394 nan 8.380 nan 0.000 0.445 532 G N 1.073 109.445 108.800 -0.714 0.000 2.184 532 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.264 532 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.264 532 G C 0.845 175.475 174.900 -0.449 0.000 0.975 532 G CA 0.819 45.186 45.100 -1.221 0.000 0.642 532 G HN 0.379 nan 8.290 nan 0.000 0.536 533 K N -0.966 119.232 120.400 -0.337 0.000 2.585 533 K HA 0.141 4.461 4.320 -0.001 0.000 0.210 533 K C -0.789 175.846 176.600 0.059 0.000 1.504 533 K CA 0.080 56.371 56.287 0.007 0.000 1.029 533 K CB 0.866 33.345 32.500 -0.035 0.000 1.332 533 K HN 0.217 nan 8.250 nan 0.000 0.569 534 D N 0.250 120.539 120.400 -0.186 0.000 2.414 534 D HA 0.233 4.872 4.640 -0.001 0.000 0.232 534 D C -1.325 174.815 176.300 -0.267 0.000 1.070 534 D CA -0.133 53.811 54.000 -0.092 0.000 0.839 534 D CB 0.580 41.329 40.800 -0.086 0.000 1.079 534 D HN -0.038 nan 8.370 nan 0.000 0.521 535 W N 1.309 122.509 121.300 -0.168 0.000 2.532 535 W HA 0.396 5.056 4.660 -0.001 0.000 0.321 535 W C 0.229 176.562 176.519 -0.310 0.000 1.037 535 W CA -0.827 56.364 57.345 -0.256 0.000 1.220 535 W CB 1.317 30.617 29.460 -0.267 0.000 1.361 535 W HN 0.094 nan 8.180 nan 0.000 0.468 536 E N 2.171 122.167 120.200 -0.341 0.000 2.158 536 E HA 0.251 4.601 4.350 -0.001 0.000 0.271 536 E C -1.169 175.152 176.600 -0.465 0.000 0.911 536 E CA -1.124 55.023 56.400 -0.422 0.000 0.767 536 E CB 1.537 30.856 29.700 -0.635 0.000 1.120 536 E HN 0.331 nan 8.360 nan 0.000 0.405 537 Y N 1.791 122.001 120.300 -0.149 0.000 2.411 537 Y HA 0.073 4.622 4.550 -0.000 0.000 0.333 537 Y C 0.833 176.748 175.900 0.026 0.000 1.186 537 Y CA 0.004 58.085 58.100 -0.033 0.000 1.381 537 Y CB 0.490 38.933 38.460 -0.028 0.000 1.273 537 Y HN 0.406 nan 8.280 nan 0.000 0.546 538 I N 4.890 125.636 120.570 0.292 0.000 2.505 538 I HA -0.046 4.123 4.170 -0.001 0.000 0.287 538 I C 0.037 176.249 176.117 0.158 0.000 1.104 538 I CA -0.034 61.414 61.300 0.248 0.000 1.387 538 I CB 0.107 38.210 38.000 0.171 0.000 1.404 538 I HN 0.464 nan 8.210 nan 0.000 0.528 539 Q N 5.271 125.141 119.800 0.117 0.000 2.260 539 Q HA 0.254 4.593 4.340 -0.001 0.000 0.238 539 Q C -0.574 175.429 176.000 0.006 0.000 0.948 539 Q CA -0.296 55.538 55.803 0.052 0.000 0.895 539 Q CB 1.713 30.484 28.738 0.056 0.000 1.218 539 Q HN 0.477 nan 8.270 nan 0.000 0.470 540 D N 1.181 121.562 120.400 -0.032 0.000 2.344 540 D HA 0.251 4.891 4.640 -0.001 0.000 0.239 540 D C -1.949 174.335 176.300 -0.027 0.000 1.064 540 D CA -1.889 52.080 54.000 -0.052 0.000 0.829 540 D CB 1.867 42.607 40.800 -0.100 0.000 1.129 540 D HN 0.084 nan 8.370 nan 0.000 0.506 541 P HA 0.059 nan 4.420 nan 0.000 0.221 541 P C 1.248 178.543 177.300 -0.009 0.000 1.155 541 P CA 0.591 63.690 63.100 -0.002 0.000 0.812 541 P CB 0.631 32.337 31.700 0.010 0.000 0.801 542 R N -0.136 120.355 120.500 -0.016 0.000 2.073 542 R HA -0.082 4.257 4.340 -0.001 0.000 0.234 542 R C 2.321 178.608 176.300 -0.022 0.000 1.134 542 R CA 2.386 58.476 56.100 -0.017 0.000 0.952 542 R CB -1.392 28.895 30.300 -0.021 0.000 0.850 542 R HN 0.327 nan 8.270 nan 0.000 0.433 543 T N -2.909 111.626 114.554 -0.032 0.000 3.044 543 T HA 0.029 4.378 4.350 -0.001 0.000 0.255 543 T C 0.383 175.062 174.700 -0.035 0.000 1.073 543 T CA -0.136 61.942 62.100 -0.037 0.000 1.125 543 T CB 0.239 69.075 68.868 -0.053 0.000 0.908 543 T HN 0.236 nan 8.240 nan 0.000 0.480 544 Q N 0.753 120.534 119.800 -0.032 0.000 2.447 544 Q HA -0.145 4.194 4.340 -0.001 0.000 0.316 544 Q C -0.605 175.373 176.000 -0.036 0.000 1.448 544 Q CA 0.314 56.102 55.803 -0.025 0.000 0.804 544 Q CB -1.789 26.938 28.738 -0.018 0.000 1.107 544 Q HN 0.858 nan 8.270 nan 0.000 0.373 545 Q N -0.483 119.289 119.800 -0.046 0.000 2.646 545 Q HA 0.306 4.646 4.340 -0.001 0.000 0.260 545 Q C -2.799 173.151 176.000 -0.084 0.000 0.975 545 Q CA -1.798 53.962 55.803 -0.072 0.000 0.936 545 Q CB 1.889 30.581 28.738 -0.076 0.000 1.591 545 Q HN -0.058 nan 8.270 nan 0.000 0.412 546 P HA -0.099 nan 4.420 nan 0.000 0.261 546 P C -1.195 176.037 177.300 -0.112 0.000 1.173 546 P CA 0.459 63.491 63.100 -0.113 0.000 0.760 546 P CB 0.303 31.821 31.700 -0.303 0.000 0.783 547 K N 3.414 123.747 120.400 -0.111 0.000 2.401 547 K HA 0.179 4.498 4.320 -0.001 0.000 0.278 547 K C -0.561 175.846 176.600 -0.321 0.000 1.018 547 K CA -0.331 55.790 56.287 -0.277 0.000 0.981 547 K CB 0.066 32.290 32.500 -0.459 0.000 0.933 547 K HN 0.246 nan 8.250 nan 0.000 0.477 548 L N 6.633 127.657 121.223 -0.332 0.000 2.283 548 L HA 0.375 4.714 4.340 -0.001 0.000 0.281 548 L C -1.425 175.237 176.870 -0.346 0.000 1.033 548 L CA -0.085 54.612 54.840 -0.237 0.000 0.848 548 L CB 0.009 41.998 42.059 -0.116 0.000 1.226 548 L HN 0.543 nan 8.230 nan 0.000 0.429 549 F N 2.885 122.628 119.950 -0.345 0.000 2.429 549 F HA 0.282 4.809 4.527 -0.001 0.000 0.348 549 F C 1.176 176.838 175.800 -0.231 0.000 1.109 549 F CA -0.259 57.478 58.000 -0.438 0.000 1.232 549 F CB 0.536 38.909 39.000 -1.044 0.000 1.157 549 F HN 0.405 nan 8.300 nan 0.000 0.564 550 E N 1.454 121.761 120.200 0.179 0.000 2.392 550 E HA 0.191 4.541 4.350 -0.001 0.000 0.264 550 E C 0.438 177.314 176.600 0.459 0.000 1.024 550 E CA 0.056 56.610 56.400 0.257 0.000 0.903 550 E CB 1.113 30.936 29.700 0.205 0.000 0.963 550 E HN 0.826 nan 8.360 nan 0.000 0.432 551 G N 2.672 111.755 108.800 0.473 0.000 2.945 551 G HA2 0.207 4.166 3.960 -0.001 0.000 0.156 551 G HA3 0.207 4.166 3.960 -0.001 0.000 0.156 551 G C -0.137 174.972 174.900 0.349 0.000 1.375 551 G CA -0.539 44.867 45.100 0.510 0.000 1.039 551 G HN 0.457 nan 8.290 nan 0.000 0.586 552 N N -0.435 118.472 118.700 0.345 0.000 2.476 552 N HA 0.390 5.130 4.740 -0.001 0.000 0.275 552 N C 0.480 176.136 175.510 0.244 0.000 1.190 552 N CA -0.562 52.631 53.050 0.239 0.000 0.977 552 N CB 1.444 40.034 38.487 0.170 0.000 1.200 552 N HN 0.092 nan 8.380 nan 0.000 0.515 553 M N 0.404 120.029 119.600 0.041 0.000 2.346 553 M HA 0.160 4.640 4.480 -0.001 0.000 0.280 553 M C -0.638 175.432 176.300 -0.383 0.000 1.075 553 M CA 0.380 55.682 55.300 0.002 0.000 0.989 553 M CB -0.647 31.984 32.600 0.051 0.000 1.447 553 M HN 0.581 nan 8.290 nan 0.000 0.511 554 H N -0.840 117.730 119.070 -0.832 0.000 3.094 554 H HA 0.108 4.663 4.556 -0.001 0.000 0.346 554 H C -0.355 174.574 175.328 -0.665 0.000 1.238 554 H CA -0.316 55.279 56.048 -0.755 0.000 1.209 554 H CB 1.244 30.792 29.762 -0.356 0.000 1.911 554 H HN 0.216 nan 8.280 nan 0.000 0.540 555 Y N 2.077 122.078 120.300 -0.498 0.000 2.439 555 Y HA -0.008 4.542 4.550 -0.001 0.000 0.292 555 Y C 1.287 177.246 175.900 0.098 0.000 1.130 555 Y CA 1.715 59.768 58.100 -0.078 0.000 1.254 555 Y CB 0.082 38.549 38.460 0.011 0.000 1.000 555 Y HN 0.518 nan 8.280 nan 0.000 0.554 556 D N 0.186 120.419 120.400 -0.279 0.000 2.725 556 D HA 0.024 4.664 4.640 -0.001 0.000 0.269 556 D C 0.170 176.358 176.300 -0.186 0.000 1.018 556 D CA 0.696 54.517 54.000 -0.299 0.000 0.956 556 D CB -0.034 40.439 40.800 -0.544 0.000 1.141 556 D HN 0.124 nan 8.370 nan 0.000 0.478 557 T N 4.118 118.522 114.554 -0.250 0.000 2.761 557 T HA 0.216 4.565 4.350 -0.001 0.000 0.287 557 T C -2.381 172.279 174.700 -0.066 0.000 0.931 557 T CA -0.883 61.104 62.100 -0.188 0.000 1.164 557 T CB 1.277 69.996 68.868 -0.247 0.000 0.876 557 T HN 0.212 nan 8.240 nan 0.000 0.534 558 P HA 0.464 nan 4.420 nan 0.000 0.276 558 P C -1.030 176.298 177.300 0.045 0.000 1.252 558 P CA -0.661 62.449 63.100 0.017 0.000 0.802 558 P CB 0.916 32.625 31.700 0.014 0.000 1.035 559 D N -0.202 120.243 120.400 0.074 0.000 2.787 559 D HA 0.423 5.062 4.640 -0.001 0.000 0.246 559 D C -0.338 176.024 176.300 0.103 0.000 1.150 559 D CA -0.374 53.688 54.000 0.103 0.000 0.864 559 D CB 1.303 42.191 40.800 0.146 0.000 1.481 559 D HN 0.185 nan 8.370 nan 0.000 0.509 560 I N 2.379 123.002 120.570 0.089 0.000 2.395 560 I HA 0.353 4.522 4.170 -0.001 0.000 0.289 560 I C -0.059 176.107 176.117 0.081 0.000 1.023 560 I CA -0.567 60.770 61.300 0.062 0.000 1.350 560 I CB 0.543 38.568 38.000 0.041 0.000 1.409 560 I HN 0.102 nan 8.210 nan 0.000 0.507 561 R N 6.911 127.440 120.500 0.048 0.000 2.476 561 R HA 0.548 4.887 4.340 -0.001 0.000 0.305 561 R C -0.594 175.609 176.300 -0.162 0.000 0.965 561 R CA -0.735 55.392 56.100 0.045 0.000 0.867 561 R CB 1.896 32.254 30.300 0.096 0.000 1.176 561 R HN 0.638 nan 8.270 nan 0.000 0.447 562 R N 1.942 122.375 120.500 -0.113 0.000 2.782 562 R HA 0.699 5.039 4.340 -0.001 0.000 0.258 562 R C -0.368 175.860 176.300 -0.120 0.000 1.055 562 R CA -0.635 55.264 56.100 -0.335 0.000 1.065 562 R CB 1.208 31.419 30.300 -0.148 0.000 1.172 562 R HN 0.451 nan 8.270 nan 0.000 0.510 563 F N -2.670 117.362 119.950 0.137 0.000 2.858 563 F HA 0.297 4.823 4.527 -0.001 0.000 0.319 563 F C -1.389 174.473 175.800 0.104 0.000 1.166 563 F CA -1.834 56.272 58.000 0.177 0.000 0.899 563 F CB -0.006 39.166 39.000 0.287 0.000 1.332 563 F HN 0.206 nan 8.300 nan 0.000 0.461 564 D N 3.141 123.794 120.400 0.422 0.000 2.488 564 D HA 0.193 4.832 4.640 -0.001 0.000 0.238 564 D C -2.374 174.084 176.300 0.264 0.000 1.138 564 D CA -0.585 53.562 54.000 0.244 0.000 0.873 564 D CB 0.342 41.236 40.800 0.157 0.000 1.183 564 D HN 0.285 nan 8.370 nan 0.000 0.458 565 P HA 0.113 nan 4.420 nan 0.000 0.271 565 P C -0.274 177.046 177.300 0.033 0.000 1.233 565 P CA -0.171 62.998 63.100 0.115 0.000 0.764 565 P CB 0.383 32.113 31.700 0.051 0.000 0.825 566 I N 1.670 122.228 120.570 -0.020 0.000 2.740 566 I HA 0.665 4.835 4.170 -0.001 0.000 0.303 566 I C -2.785 173.278 176.117 -0.090 0.000 1.044 566 I CA -3.622 57.568 61.300 -0.183 0.000 1.064 566 I CB 2.630 40.248 38.000 -0.636 0.000 1.249 566 I HN 0.041 nan 8.210 nan 0.000 0.433 567 P HA 0.475 nan 4.420 nan 0.000 0.285 567 P C -1.056 176.302 177.300 0.097 0.000 1.259 567 P CA -0.128 63.107 63.100 0.225 0.000 0.794 567 P CB 1.529 33.490 31.700 0.435 0.000 0.940 568 A N 2.398 125.275 122.820 0.094 0.000 2.565 568 A HA 0.286 4.606 4.320 -0.001 0.000 0.298 568 A C 0.331 177.888 177.584 -0.046 0.000 1.062 568 A CA -0.400 51.664 52.037 0.044 0.000 0.723 568 A CB 1.212 20.242 19.000 0.051 0.000 1.282 568 A HN 0.498 nan 8.150 nan 0.000 0.400 569 Q N 0.240 119.977 119.800 -0.105 0.000 2.396 569 Q HA 0.228 4.567 4.340 -0.001 0.000 0.220 569 Q C -0.901 174.811 176.000 -0.479 0.000 0.900 569 Q CA 0.849 56.465 55.803 -0.310 0.000 0.925 569 Q CB 0.294 28.788 28.738 -0.407 0.000 1.065 569 Q HN 0.748 nan 8.270 nan 0.000 0.535 570 Y N -0.240 119.977 120.300 -0.139 0.000 2.364 570 Y HA 0.513 5.063 4.550 -0.001 0.000 0.340 570 Y C -0.649 175.232 175.900 -0.031 0.000 0.975 570 Y CA -0.992 57.035 58.100 -0.121 0.000 1.089 570 Y CB 1.912 40.190 38.460 -0.303 0.000 1.192 570 Y HN -0.280 nan 8.280 nan 0.000 0.454 571 V N 4.169 124.212 119.914 0.214 0.000 2.680 571 V HA 0.595 4.715 4.120 -0.001 0.000 0.309 571 V C -0.490 175.769 176.094 0.274 0.000 1.052 571 V CA -1.166 61.288 62.300 0.258 0.000 0.908 571 V CB 2.175 34.122 31.823 0.207 0.000 1.001 571 V HN 0.701 nan 8.190 nan 0.000 0.431 572 R N 2.079 122.749 120.500 0.282 0.000 2.561 572 R HA 0.722 5.061 4.340 -0.001 0.000 0.297 572 R C -1.582 174.822 176.300 0.173 0.000 0.969 572 R CA -0.607 55.555 56.100 0.103 0.000 0.879 572 R CB 2.409 32.605 30.300 -0.173 0.000 1.178 572 R HN 0.522 nan 8.270 nan 0.000 0.445 573 V N 4.634 124.635 119.914 0.146 0.000 2.370 573 V HA 0.286 4.406 4.120 -0.001 0.000 0.279 573 V C -1.023 175.248 176.094 0.296 0.000 1.029 573 V CA -0.502 61.975 62.300 0.295 0.000 0.870 573 V CB 1.038 32.959 31.823 0.163 0.000 0.984 573 V HN 0.616 nan 8.190 nan 0.000 0.451 574 Y N 6.405 126.982 120.300 0.461 0.000 2.417 574 Y HA 0.404 4.954 4.550 -0.001 0.000 0.336 574 Y C -2.117 174.090 175.900 0.511 0.000 0.961 574 Y CA -2.888 55.497 58.100 0.475 0.000 1.215 574 Y CB 1.239 39.979 38.460 0.467 0.000 1.120 574 Y HN 0.507 nan 8.280 nan 0.000 0.499 575 P HA -0.016 nan 4.420 nan 0.000 0.266 575 P C 0.258 177.951 177.300 0.655 0.000 1.195 575 P CA 0.375 63.835 63.100 0.599 0.000 0.768 575 P CB 1.116 33.077 31.700 0.435 0.000 0.838 576 E N 1.779 122.307 120.200 0.547 0.000 2.332 576 E HA 0.140 4.489 4.350 -0.001 0.000 0.202 576 E C 0.341 176.918 176.600 -0.038 0.000 0.877 576 E CA 0.613 57.194 56.400 0.303 0.000 0.979 576 E CB 0.482 30.294 29.700 0.186 0.000 0.969 576 E HN 0.325 nan 8.360 nan 0.000 0.495 577 R N -0.490 120.012 120.500 0.004 0.000 2.808 577 R HA 0.465 4.805 4.340 -0.001 0.000 0.272 577 R C -1.499 174.793 176.300 -0.013 0.000 0.995 577 R CA -0.550 55.327 56.100 -0.372 0.000 0.917 577 R CB 1.596 31.780 30.300 -0.193 0.000 1.217 577 R HN -0.039 nan 8.270 nan 0.000 0.471 578 W N -0.857 120.425 121.300 -0.030 0.000 3.005 578 W HA 0.560 5.220 4.660 -0.000 0.000 0.343 578 W C -0.574 175.797 176.519 -0.247 0.000 1.243 578 W CA -1.130 56.133 57.345 -0.135 0.000 1.186 578 W CB -0.107 29.281 29.460 -0.121 0.000 1.453 578 W HN 0.609 nan 8.180 nan 0.000 0.575 579 S N 0.104 115.667 115.700 -0.228 0.000 2.587 579 S HA 0.252 4.721 4.470 -0.001 0.000 0.260 579 S C -1.604 172.967 174.600 -0.048 0.000 1.353 579 S CA -0.153 57.821 58.200 -0.377 0.000 0.995 579 S CB 0.782 63.448 63.200 -0.890 0.000 0.912 579 S HN 0.423 nan 8.310 nan 0.000 0.568 580 P HA 0.006 nan 4.420 nan 0.000 0.218 580 P C 1.209 178.541 177.300 0.054 0.000 1.148 580 P CA 1.673 64.788 63.100 0.025 0.000 0.822 580 P CB -0.280 31.425 31.700 0.009 0.000 0.784 581 A N -1.255 121.580 122.820 0.024 0.000 2.239 581 A HA 0.424 4.744 4.320 -0.001 0.000 0.209 581 A C 1.203 178.791 177.584 0.006 0.000 1.171 581 A CA 1.034 53.080 52.037 0.015 0.000 0.768 581 A CB -1.108 17.903 19.000 0.017 0.000 0.790 581 A HN 0.359 nan 8.150 nan 0.000 0.478 582 G N -1.346 107.477 108.800 0.038 0.000 2.483 582 G HA2 -0.064 3.895 3.960 -0.001 0.000 0.521 582 G HA3 -0.064 3.895 3.960 -0.001 0.000 0.521 582 G C -0.443 174.219 174.900 -0.397 0.000 1.278 582 G CA -0.485 44.504 45.100 -0.186 0.000 0.965 582 G HN 0.471 nan 8.290 nan 0.000 0.504 583 I N 1.804 121.908 120.570 -0.776 0.000 2.471 583 I HA 0.508 4.677 4.170 -0.001 0.000 0.286 583 I C 1.101 176.950 176.117 -0.447 0.000 1.079 583 I CA 0.926 61.814 61.300 -0.686 0.000 1.398 583 I CB 1.006 38.429 38.000 -0.961 0.000 1.403 583 I HN 0.946 nan 8.210 nan 0.000 0.530 584 G N 7.059 115.632 108.800 -0.379 0.000 2.740 584 G HA2 0.670 4.629 3.960 -0.001 0.000 0.296 584 G HA3 0.670 4.629 3.960 -0.001 0.000 0.296 584 G C -1.326 173.372 174.900 -0.337 0.000 1.439 584 G CA -0.500 44.205 45.100 -0.659 0.000 1.066 584 G HN 0.499 nan 8.290 nan 0.000 0.527 585 M N 1.850 121.274 119.600 -0.294 0.000 2.470 585 M HA 0.635 5.114 4.480 -0.001 0.000 0.285 585 M C -1.369 174.971 176.300 0.068 0.000 1.213 585 M CA -0.749 54.543 55.300 -0.014 0.000 0.901 585 M CB 2.556 35.224 32.600 0.113 0.000 1.718 585 M HN 0.566 nan 8.290 nan 0.000 0.469 586 R N 2.043 122.584 120.500 0.067 0.000 2.807 586 R HA 0.877 5.216 4.340 -0.001 0.000 0.276 586 R C -1.890 174.442 176.300 0.054 0.000 0.979 586 R CA -0.874 55.273 56.100 0.079 0.000 0.928 586 R CB 2.620 32.957 30.300 0.062 0.000 1.191 586 R HN 0.590 nan 8.270 nan 0.000 0.471 587 L N 0.922 122.176 121.223 0.052 0.000 2.466 587 L HA 0.525 4.865 4.340 -0.001 0.000 0.258 587 L C -1.518 175.372 176.870 0.033 0.000 0.973 587 L CA -0.463 54.395 54.840 0.031 0.000 0.826 587 L CB 2.198 44.276 42.059 0.033 0.000 1.372 587 L HN 0.685 nan 8.230 nan 0.000 0.409 588 E N 1.805 122.022 120.200 0.028 0.000 2.369 588 E HA 0.765 5.115 4.350 -0.001 0.000 0.270 588 E C -1.967 174.653 176.600 0.033 0.000 0.909 588 E CA -0.588 55.830 56.400 0.029 0.000 0.775 588 E CB 2.300 32.016 29.700 0.026 0.000 1.270 588 E HN 0.354 nan 8.360 nan 0.000 0.445 589 V N 3.387 123.322 119.914 0.035 0.000 2.555 589 V HA 0.470 4.589 4.120 -0.001 0.000 0.302 589 V C -0.265 175.842 176.094 0.021 0.000 1.038 589 V CA -0.775 61.551 62.300 0.044 0.000 0.887 589 V CB 1.278 33.140 31.823 0.064 0.000 0.991 589 V HN 0.620 nan 8.190 nan 0.000 0.434 590 L N 3.995 125.218 121.223 -0.001 0.000 2.322 590 L HA 0.972 5.312 4.340 -0.001 0.000 0.279 590 L C 0.772 177.635 176.870 -0.013 0.000 1.036 590 L CA 0.182 55.006 54.840 -0.025 0.000 0.807 590 L CB 1.613 43.627 42.059 -0.075 0.000 1.226 590 L HN 0.924 nan 8.230 nan 0.000 0.433 591 G N 0.722 109.520 108.800 -0.003 0.000 2.399 591 G HA2 0.439 4.399 3.960 -0.001 0.000 0.256 591 G HA3 0.439 4.399 3.960 -0.001 0.000 0.256 591 G C -1.475 173.439 174.900 0.023 0.000 1.236 591 G CA 0.095 45.206 45.100 0.018 0.000 0.914 591 G HN 1.002 nan 8.290 nan 0.000 0.482 592 c N -1.599 117.030 118.600 0.048 0.000 3.216 592 c HA 0.698 5.267 4.570 -0.001 0.000 0.346 592 c C -1.425 172.723 174.090 0.096 0.000 1.384 592 c CA -1.001 55.359 56.329 0.052 0.000 1.208 592 c CB 0.996 43.528 42.510 0.037 0.000 1.483 592 c HN 0.840 nan 8.230 nan 0.000 0.453 593 D N 0.311 120.768 120.400 0.096 0.000 2.339 593 D HA 0.296 4.936 4.640 -0.001 0.000 0.245 593 D C -0.078 176.371 176.300 0.248 0.000 1.115 593 D CA 0.399 54.484 54.000 0.143 0.000 0.917 593 D CB 0.433 41.291 40.800 0.098 0.000 1.192 593 D HN 0.610 nan 8.370 nan 0.000 0.428 594 W N 0.744 122.035 121.300 -0.014 0.000 2.089 594 W HA 0.040 4.699 4.660 -0.001 0.000 0.355 594 W C 1.185 177.699 176.519 -0.007 0.000 1.305 594 W CA -0.203 57.134 57.345 -0.014 0.000 1.281 594 W CB -0.322 29.126 29.460 -0.021 0.000 1.183 594 W HN 0.138 nan 8.180 nan 0.000 0.604 600 H N 0.608 119.796 119.070 0.197 0.000 2.850 600 H HA 0.607 5.163 4.556 -0.001 0.000 0.297 600 H C 0.140 175.585 175.328 0.196 0.000 1.508 600 H CA 0.117 56.275 56.048 0.184 0.000 1.513 600 H CB 1.145 31.038 29.762 0.218 0.000 1.803 600 H HN 0.551 nan 8.280 nan 0.000 0.830 601 H N 0.000 119.216 119.070 0.243 0.000 2.539 601 H HA 0.000 4.556 4.556 -0.001 0.000 0.296 601 H CA 0.000 56.130 56.048 0.137 0.000 1.023 601 H CB 0.000 29.789 29.762 0.045 0.000 1.292 601 H HN 0.000 nan 8.280 nan 0.000 0.496