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 1n9e_1_D DATA FIRST_RESID 41 DATA SEQUENCE ASAEcVSNEN VEIEAPKTNI WTSLAKEEVQ EVLDLLHSTY NITEVTKADF DATA SEQUENCE FSNYVLWIET LKPNKTEALT YLDEDGDLPP RNARTVVYFG EGEEGYFEEL DATA SEQUENCE KVGPLPVSDE TTIEPLSFYN TNGKSKLPFE VGHLDRIKSA AKSSFLNKNL DATA SEQUENCE NTTIMRDVLE GLIGVPYEDM GcHSAAPQLH DPATGATVDY GTcNINTEND DATA SEQUENCE AENLVPTGFF FKFDMTGRDV SQWKMLEYIY NNKVYTSAEE LYEAMQKDDF DATA SEQUENCE VTLPKIDVDN LDWTVIQRND SAPIRHLDDR KSPRLVEPEG RRWAYDGEEE DATA SEQUENCE YFSWMDWGFY TSWSRDTGIS FYDITFKGER IVYELSLQEL IAEYGSDDPF DATA SEQUENCE NQHTFYSDIS YGVGNRFSLV PGYDcPATAG YFTTDTFEYD EFYNRTLSYc DATA SEQUENCE VFENQEDYSL LRHTGASYSA ITQNPTLNVR FISTIGNXDY NFLYKFFLDG DATA SEQUENCE TLEVSVRAAG YIQAGYWNPE TSAPYGLKIH DVLSGSFHDH VLNYKVDLDV DATA SEQUENCE GGTKNRASKY VMKDVDVEYP WAPGTVYNTK QIAREVLEKE DFNGINWPEN DATA SEQUENCE GQGILLIESA EETNSFGNPR AYNIMPGGGG VHRIVKNSRS GPETQNWARS DATA SEQUENCE NLFLTKHKDE ELRSSTALNT NALYDPPVNF NAFLDDESLD GEDIVAWVNL DATA SEQUENCE GLHHLPNSND LPNTIFSTAH ASFMLTPFNY FDSENSRDTT QQVFYTYDDE DATA SEQUENCE TEESNWEFYG NDWSScGLEV PEPNFEDYTY GRGTR 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 41 A HA 0.000 nan 4.320 nan 0.000 0.244 41 A C 0.000 177.581 177.584 -0.005 0.000 1.274 41 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 41 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 42 S N 1.553 117.249 115.700 -0.006 0.000 2.560 42 S HA 0.510 4.979 4.470 -0.000 0.000 0.284 42 S C 0.803 175.397 174.600 -0.010 0.000 1.327 42 S CA 0.118 58.313 58.200 -0.009 0.000 1.055 42 S CB 0.976 64.170 63.200 -0.011 0.000 0.868 42 S HN 1.479 nan 8.310 nan 0.000 0.506 43 A N 1.901 124.714 122.820 -0.011 0.000 2.547 43 A HA 0.170 4.490 4.320 -0.000 0.000 0.233 43 A C 0.530 178.104 177.584 -0.016 0.000 1.067 43 A CA -0.063 51.967 52.037 -0.012 0.000 0.763 43 A CB -0.119 18.874 19.000 -0.011 0.000 1.007 43 A HN 0.794 nan 8.150 nan 0.000 0.506 44 E N -0.001 120.190 120.200 -0.016 0.000 2.390 44 E HA 0.288 4.638 4.350 -0.000 0.000 0.261 44 E C -0.175 176.409 176.600 -0.026 0.000 1.076 44 E CA -0.153 56.235 56.400 -0.020 0.000 0.905 44 E CB 0.357 30.047 29.700 -0.017 0.000 0.984 44 E HN 0.663 nan 8.360 nan 0.000 0.427 45 c N 2.386 120.966 118.600 -0.034 0.000 2.727 45 c HA 0.112 4.682 4.570 -0.000 0.000 0.401 45 c C 0.049 174.116 174.090 -0.038 0.000 1.294 45 c CA -0.979 55.323 56.329 -0.044 0.000 2.134 45 c CB -0.042 42.434 42.510 -0.056 0.000 2.724 45 c HN 0.433 nan 8.230 nan 0.000 0.677 46 V N 4.022 123.911 119.914 -0.041 0.000 2.403 46 V HA 0.173 4.293 4.120 -0.000 0.000 0.265 46 V C 0.791 176.865 176.094 -0.032 0.000 1.034 46 V CA 0.253 62.533 62.300 -0.033 0.000 1.036 46 V CB -0.278 31.527 31.823 -0.030 0.000 1.032 46 V HN 1.042 nan 8.190 nan 0.000 0.478 47 S N 5.515 121.198 115.700 -0.028 0.000 2.592 47 S HA 0.448 4.918 4.470 -0.000 0.000 0.271 47 S C -0.267 174.318 174.600 -0.026 0.000 1.326 47 S CA -0.753 57.431 58.200 -0.028 0.000 1.024 47 S CB 1.003 64.188 63.200 -0.024 0.000 0.921 47 S HN 0.729 nan 8.310 nan 0.000 0.527 48 N N 1.037 119.720 118.700 -0.030 0.000 2.329 48 N HA 0.320 5.060 4.740 -0.000 0.000 0.282 48 N C -1.333 174.154 175.510 -0.038 0.000 1.198 48 N CA -0.674 52.357 53.050 -0.031 0.000 0.790 48 N CB 1.830 40.299 38.487 -0.030 0.000 1.579 48 N HN 0.643 nan 8.380 nan 0.000 0.475 49 E N 0.725 120.901 120.200 -0.040 0.000 2.319 49 E HA 0.214 4.564 4.350 -0.000 0.000 0.268 49 E C -0.194 176.367 176.600 -0.065 0.000 1.050 49 E CA -0.225 56.147 56.400 -0.046 0.000 0.878 49 E CB 0.785 30.461 29.700 -0.039 0.000 1.066 49 E HN 0.422 nan 8.360 nan 0.000 0.406 50 N N -0.093 118.561 118.700 -0.078 0.000 2.412 50 N HA 0.041 4.781 4.740 -0.000 0.000 0.254 50 N C -0.578 174.870 175.510 -0.104 0.000 1.232 50 N CA -0.121 52.860 53.050 -0.114 0.000 0.880 50 N CB 0.639 39.070 38.487 -0.094 0.000 1.076 50 N HN 0.071 nan 8.380 nan 0.000 0.458 51 V N 1.881 121.722 119.914 -0.121 0.000 2.427 51 V HA 0.215 4.335 4.120 -0.000 0.000 0.286 51 V C 0.155 176.153 176.094 -0.160 0.000 1.034 51 V CA -0.405 61.831 62.300 -0.106 0.000 0.893 51 V CB 1.345 33.129 31.823 -0.065 0.000 0.982 51 V HN 0.657 nan 8.190 nan 0.000 0.452 52 E N 4.161 124.241 120.200 -0.199 0.000 2.207 52 E HA 0.735 5.085 4.350 -0.000 0.000 0.270 52 E C -0.807 175.690 176.600 -0.172 0.000 0.927 52 E CA -0.628 55.581 56.400 -0.319 0.000 0.799 52 E CB 2.651 32.118 29.700 -0.389 0.000 1.172 52 E HN 0.697 nan 8.360 nan 0.000 0.404 53 I N -2.365 118.115 120.570 -0.149 0.000 3.239 53 I HA 0.539 4.708 4.170 -0.000 0.000 0.314 53 I C -0.637 175.453 176.117 -0.045 0.000 1.126 53 I CA -1.128 60.139 61.300 -0.055 0.000 0.973 53 I CB 1.960 39.971 38.000 0.017 0.000 1.252 53 I HN 0.166 nan 8.210 nan 0.000 0.463 54 E N 2.085 122.268 120.200 -0.027 0.000 2.151 54 E HA 0.507 4.857 4.350 -0.000 0.000 0.275 54 E C -0.475 176.076 176.600 -0.081 0.000 0.936 54 E CA -0.664 55.715 56.400 -0.036 0.000 0.777 54 E CB 2.021 31.701 29.700 -0.033 0.000 1.108 54 E HN 0.774 nan 8.360 nan 0.000 0.401 55 A N 4.605 127.348 122.820 -0.129 0.000 2.483 55 A HA 0.197 4.516 4.320 -0.000 0.000 0.238 55 A C -1.307 176.112 177.584 -0.275 0.000 1.070 55 A CA -0.755 51.024 52.037 -0.432 0.000 0.770 55 A CB -0.076 18.755 19.000 -0.282 0.000 1.008 55 A HN 0.359 nan 8.150 nan 0.000 0.497 56 P HA -0.043 nan 4.420 nan 0.000 0.220 56 P C 0.101 177.359 177.300 -0.069 0.000 1.148 56 P CA 1.399 64.409 63.100 -0.149 0.000 0.803 56 P CB 0.188 31.814 31.700 -0.123 0.000 0.782 57 K N -2.045 118.364 120.400 0.015 0.000 2.469 57 K HA 0.367 4.687 4.320 -0.000 0.000 0.268 57 K C -0.216 176.499 176.600 0.191 0.000 1.027 57 K CA -0.473 55.847 56.287 0.054 0.000 0.893 57 K CB 1.009 33.464 32.500 -0.074 0.000 1.460 57 K HN -0.123 nan 8.250 nan 0.000 0.449 58 T N -1.183 113.505 114.554 0.224 0.000 2.882 58 T HA 0.190 4.540 4.350 -0.000 0.000 0.287 58 T C 0.455 175.160 174.700 0.009 0.000 1.014 58 T CA -0.580 61.608 62.100 0.147 0.000 1.049 58 T CB 0.561 69.475 68.868 0.076 0.000 1.001 58 T HN 0.338 nan 8.240 nan 0.000 0.525 59 N N 1.928 120.663 118.700 0.058 0.000 2.466 59 N HA 0.039 4.779 4.740 -0.000 0.000 0.263 59 N C 1.171 176.547 175.510 -0.222 0.000 1.178 59 N CA -0.644 52.400 53.050 -0.010 0.000 0.983 59 N CB -0.368 38.307 38.487 0.313 0.000 1.331 59 N HN 0.766 nan 8.380 nan 0.000 0.500 60 I N -0.782 119.367 120.570 -0.702 0.000 3.444 60 I HA 0.118 4.287 4.170 -0.000 0.000 0.287 60 I C 0.390 176.030 176.117 -0.795 0.000 1.302 60 I CA 0.130 60.943 61.300 -0.812 0.000 1.368 60 I CB -0.062 37.320 38.000 -1.030 0.000 1.048 60 I HN 0.276 nan 8.210 nan 0.000 0.487 61 W N 1.163 122.328 121.300 -0.225 0.000 3.127 61 W HA 0.308 4.967 4.660 -0.000 0.000 0.344 61 W C 1.020 177.482 176.519 -0.094 0.000 1.151 61 W CA -0.564 56.617 57.345 -0.273 0.000 1.765 61 W CB -0.340 28.738 29.460 -0.636 0.000 1.085 61 W HN -0.027 nan 8.180 nan 0.000 0.596 62 T N 2.296 116.935 114.554 0.140 0.000 2.918 62 T HA 0.142 4.492 4.350 -0.000 0.000 0.302 62 T C 0.972 175.758 174.700 0.143 0.000 1.045 62 T CA 0.231 62.436 62.100 0.174 0.000 1.114 62 T CB 0.901 69.873 68.868 0.174 0.000 0.965 62 T HN 0.074 nan 8.240 nan 0.000 0.540 63 S N 4.277 120.084 115.700 0.179 0.000 2.569 63 S HA 0.209 4.678 4.470 -0.000 0.000 0.274 63 S C 0.332 175.035 174.600 0.172 0.000 1.353 63 S CA -0.765 57.540 58.200 0.175 0.000 1.023 63 S CB -0.058 63.267 63.200 0.207 0.000 0.876 63 S HN 0.632 nan 8.310 nan 0.000 0.540 64 L N 1.979 123.309 121.223 0.177 0.000 2.453 64 L HA 0.334 4.673 4.340 -0.000 0.000 0.272 64 L C 1.093 178.110 176.870 0.245 0.000 1.182 64 L CA -0.363 54.580 54.840 0.172 0.000 0.858 64 L CB -0.016 42.137 42.059 0.157 0.000 1.120 64 L HN 0.961 nan 8.230 nan 0.000 0.474 65 A N 3.499 126.414 122.820 0.158 0.000 2.366 65 A HA 0.100 4.420 4.320 -0.000 0.000 0.249 65 A C 1.322 178.921 177.584 0.025 0.000 1.084 65 A CA -0.227 51.885 52.037 0.125 0.000 0.794 65 A CB 0.318 19.348 19.000 0.051 0.000 1.034 65 A HN 0.938 nan 8.150 nan 0.000 0.491 66 K N -0.004 120.234 120.400 -0.270 0.000 2.089 66 K HA -0.258 4.062 4.320 -0.000 0.000 0.210 66 K C 1.628 178.060 176.600 -0.280 0.000 1.048 66 K CA 2.366 58.229 56.287 -0.706 0.000 0.926 66 K CB -0.070 31.894 32.500 -0.893 0.000 0.714 66 K HN 0.794 nan 8.250 nan 0.000 0.448 67 E N 0.859 120.964 120.200 -0.159 0.000 2.152 67 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 67 E C 1.470 178.040 176.600 -0.050 0.000 0.983 67 E CA 1.498 57.845 56.400 -0.089 0.000 0.818 67 E CB 0.086 29.751 29.700 -0.059 0.000 0.758 67 E HN 0.421 nan 8.360 nan 0.000 0.467 68 E N -0.351 119.833 120.200 -0.028 0.000 2.047 68 E HA -0.123 4.226 4.350 -0.000 0.000 0.191 68 E C 2.149 178.740 176.600 -0.014 0.000 0.987 68 E CA 1.306 57.703 56.400 -0.004 0.000 0.799 68 E CB -0.003 29.710 29.700 0.023 0.000 0.752 68 E HN 0.129 nan 8.360 nan 0.000 0.449 69 V N 1.390 121.295 119.914 -0.014 0.000 2.282 69 V HA -0.315 3.804 4.120 -0.000 0.000 0.249 69 V C 2.473 178.500 176.094 -0.113 0.000 1.057 69 V CA 2.125 64.376 62.300 -0.082 0.000 1.032 69 V CB -0.535 31.280 31.823 -0.013 0.000 0.645 69 V HN 0.218 nan 8.190 nan 0.000 0.447 70 Q N 0.351 120.109 119.800 -0.070 0.000 2.061 70 Q HA -0.231 4.109 4.340 -0.000 0.000 0.204 70 Q C 2.114 178.104 176.000 -0.016 0.000 0.984 70 Q CA 2.173 57.954 55.803 -0.038 0.000 0.846 70 Q CB -0.343 28.372 28.738 -0.039 0.000 0.902 70 Q HN 0.723 nan 8.270 nan 0.000 0.421 71 E N -1.128 119.063 120.200 -0.016 0.000 2.085 71 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 71 E C 1.947 178.557 176.600 0.016 0.000 0.994 71 E CA 1.502 57.903 56.400 0.001 0.000 0.801 71 E CB -0.018 29.682 29.700 -0.000 0.000 0.743 71 E HN 0.202 nan 8.360 nan 0.000 0.453 72 V N 1.128 121.044 119.914 0.003 0.000 2.358 72 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 72 V C 2.246 178.367 176.094 0.046 0.000 1.047 72 V CA 1.197 63.509 62.300 0.021 0.000 1.035 72 V CB -0.373 31.450 31.823 0.000 0.000 0.658 72 V HN 0.215 nan 8.190 nan 0.000 0.452 73 L N 0.587 121.821 121.223 0.019 0.000 2.012 73 L HA -0.193 4.146 4.340 -0.000 0.000 0.210 73 L C 2.105 179.111 176.870 0.225 0.000 1.073 73 L CA 2.108 57.018 54.840 0.117 0.000 0.748 73 L CB -0.942 41.169 42.059 0.087 0.000 0.891 73 L HN 0.308 nan 8.230 nan 0.000 0.431 74 D N -0.788 119.689 120.400 0.128 0.000 2.123 74 D HA -0.199 4.441 4.640 -0.000 0.000 0.196 74 D C 2.158 178.541 176.300 0.138 0.000 0.992 74 D CA 1.397 55.467 54.000 0.117 0.000 0.833 74 D CB -0.293 40.536 40.800 0.048 0.000 0.954 74 D HN 0.285 nan 8.370 nan 0.000 0.455 75 L N 0.584 121.868 121.223 0.101 0.000 2.083 75 L HA -0.072 4.268 4.340 -0.000 0.000 0.209 75 L C 2.116 179.047 176.870 0.103 0.000 1.083 75 L CA 1.254 56.141 54.840 0.080 0.000 0.752 75 L CB -0.540 41.554 42.059 0.058 0.000 0.899 75 L HN 0.025 nan 8.230 nan 0.000 0.433 76 L N -1.478 119.838 121.223 0.155 0.000 2.046 76 L HA -0.232 4.107 4.340 -0.000 0.000 0.208 76 L C 2.590 179.567 176.870 0.178 0.000 1.077 76 L CA 1.139 56.106 54.840 0.211 0.000 0.747 76 L CB -0.848 41.322 42.059 0.185 0.000 0.896 76 L HN 0.392 nan 8.230 nan 0.000 0.432 77 H N -0.716 118.433 119.070 0.132 0.000 2.457 77 H HA -0.084 4.472 4.556 -0.000 0.000 0.294 77 H C 2.467 177.843 175.328 0.080 0.000 1.064 77 H CA 1.694 57.811 56.048 0.116 0.000 1.330 77 H CB 0.270 30.088 29.762 0.094 0.000 1.395 77 H HN 0.417 nan 8.280 nan 0.000 0.541 78 S N -0.775 115.017 115.700 0.153 0.000 2.503 78 S HA -0.018 4.451 4.470 -0.000 0.000 0.217 78 S C 1.913 176.507 174.600 -0.010 0.000 0.999 78 S CA 0.591 58.834 58.200 0.071 0.000 0.914 78 S CB 0.094 63.324 63.200 0.050 0.000 0.782 78 S HN 0.149 nan 8.310 nan 0.000 0.520 79 T N 0.583 115.087 114.554 -0.083 0.000 2.976 79 T HA 0.282 4.632 4.350 -0.000 0.000 0.257 79 T C -0.207 174.242 174.700 -0.419 0.000 1.051 79 T CA 0.691 62.595 62.100 -0.327 0.000 1.141 79 T CB -0.168 68.383 68.868 -0.528 0.000 0.881 79 T HN 0.509 nan 8.240 nan 0.000 0.461 80 Y N 0.462 120.813 120.300 0.085 0.000 2.633 80 Y HA 0.500 5.050 4.550 -0.000 0.000 0.339 80 Y C 0.126 176.065 175.900 0.065 0.000 1.045 80 Y CA -1.741 56.421 58.100 0.104 0.000 1.098 80 Y CB 0.778 39.351 38.460 0.188 0.000 1.296 80 Y HN -0.193 nan 8.280 nan 0.000 0.494 81 N N 2.064 120.921 118.700 0.261 0.000 2.508 81 N HA 0.132 4.872 4.740 -0.000 0.000 0.253 81 N C -1.474 174.097 175.510 0.101 0.000 1.145 81 N CA 0.082 53.226 53.050 0.156 0.000 0.973 81 N CB -0.207 38.361 38.487 0.135 0.000 1.305 81 N HN 0.424 nan 8.380 nan 0.000 0.506 82 I N 2.361 122.951 120.570 0.033 0.000 2.331 82 I HA 0.223 4.393 4.170 -0.000 0.000 0.292 82 I C 0.611 176.757 176.117 0.048 0.000 0.998 82 I CA -0.380 60.868 61.300 -0.086 0.000 1.267 82 I CB 0.891 38.583 38.000 -0.512 0.000 1.386 82 I HN 0.293 nan 8.210 nan 0.000 0.476 83 T N 5.604 120.218 114.554 0.101 0.000 2.867 83 T HA 0.269 4.619 4.350 -0.000 0.000 0.282 83 T C 0.181 174.986 174.700 0.175 0.000 1.000 83 T CA -0.629 61.560 62.100 0.149 0.000 1.042 83 T CB 1.143 70.097 68.868 0.142 0.000 0.973 83 T HN 0.319 nan 8.240 nan 0.000 0.465 84 E N 1.909 122.210 120.200 0.168 0.000 2.413 84 E HA 0.058 4.407 4.350 -0.000 0.000 0.263 84 E C 1.313 177.952 176.600 0.065 0.000 1.015 84 E CA -0.250 56.240 56.400 0.150 0.000 0.916 84 E CB 0.466 30.238 29.700 0.119 0.000 0.947 84 E HN 0.291 nan 8.360 nan 0.000 0.440 85 V N 2.479 122.423 119.914 0.049 0.000 2.392 85 V HA -0.287 3.833 4.120 -0.000 0.000 0.249 85 V C 2.191 178.193 176.094 -0.154 0.000 1.059 85 V CA 2.526 64.761 62.300 -0.107 0.000 1.051 85 V CB -1.018 30.788 31.823 -0.027 0.000 0.658 85 V HN 0.814 nan 8.190 nan 0.000 0.455 86 T N -2.096 112.415 114.554 -0.071 0.000 3.007 86 T HA -0.111 4.238 4.350 -0.000 0.000 0.270 86 T C 1.356 176.017 174.700 -0.066 0.000 1.107 86 T CA 0.946 63.001 62.100 -0.074 0.000 1.118 86 T CB -0.210 68.637 68.868 -0.035 0.000 0.889 86 T HN 0.543 nan 8.240 nan 0.000 0.506 87 K N 0.755 121.127 120.400 -0.047 0.000 2.387 87 K HA 0.558 4.877 4.320 -0.000 0.000 0.203 87 K C 0.597 177.176 176.600 -0.035 0.000 1.030 87 K CA -0.224 56.046 56.287 -0.027 0.000 1.099 87 K CB 0.818 33.325 32.500 0.011 0.000 0.863 87 K HN 0.385 nan 8.250 nan 0.000 0.529 88 A N 2.426 125.190 122.820 -0.094 0.000 2.279 88 A HA 0.377 4.696 4.320 -0.000 0.000 0.303 88 A C -0.375 177.134 177.584 -0.125 0.000 1.108 88 A CA -0.401 51.581 52.037 -0.092 0.000 0.830 88 A CB 0.515 19.366 19.000 -0.248 0.000 1.106 88 A HN 0.276 nan 8.150 nan 0.000 0.493 89 D N -1.163 119.229 120.400 -0.014 0.000 2.798 89 D HA 0.273 4.912 4.640 -0.000 0.000 0.308 89 D C 0.122 176.464 176.300 0.069 0.000 1.187 89 D CA -0.583 53.360 54.000 -0.095 0.000 1.033 89 D CB -0.231 40.519 40.800 -0.084 0.000 1.445 89 D HN 0.276 nan 8.370 nan 0.000 0.550 90 F N -1.185 118.713 119.950 -0.087 0.000 2.494 90 F HA 0.037 4.564 4.527 -0.000 0.000 0.298 90 F C 1.086 176.644 175.800 -0.403 0.000 1.106 90 F CA 0.403 58.215 58.000 -0.313 0.000 1.452 90 F CB -0.125 38.487 39.000 -0.646 0.000 1.085 90 F HN 0.080 nan 8.300 nan 0.000 0.569 91 F N -0.933 119.185 119.950 0.280 0.000 2.678 91 F HA 0.150 4.677 4.527 -0.000 0.000 0.305 91 F C 1.006 176.899 175.800 0.155 0.000 1.090 91 F CA -0.332 57.770 58.000 0.170 0.000 1.272 91 F CB -0.268 38.783 39.000 0.085 0.000 1.060 91 F HN -0.313 nan 8.300 nan 0.000 0.576 92 S N 0.085 115.989 115.700 0.339 0.000 2.707 92 S HA 0.354 4.824 4.470 -0.000 0.000 0.276 92 S C -0.153 174.575 174.600 0.212 0.000 1.179 92 S CA -0.806 57.559 58.200 0.274 0.000 0.992 92 S CB 0.705 64.088 63.200 0.305 0.000 1.030 92 S HN 0.071 nan 8.310 nan 0.000 0.554 93 N N 1.129 119.880 118.700 0.085 0.000 2.362 93 N HA 0.576 5.316 4.740 -0.000 0.000 0.298 93 N C -1.271 174.208 175.510 -0.050 0.000 1.048 93 N CA -0.432 52.501 53.050 -0.195 0.000 0.858 93 N CB 1.410 39.722 38.487 -0.293 0.000 1.218 93 N HN 0.739 nan 8.380 nan 0.000 0.488 94 Y N -2.503 117.696 120.300 -0.168 0.000 2.609 94 Y HA 0.604 5.153 4.550 -0.000 0.000 0.336 94 Y C -1.052 174.773 175.900 -0.124 0.000 1.129 94 Y CA -1.318 56.728 58.100 -0.089 0.000 1.040 94 Y CB 0.521 38.998 38.460 0.029 0.000 1.310 94 Y HN 0.090 nan 8.280 nan 0.000 0.460 95 V N 3.506 123.493 119.914 0.121 0.000 2.465 95 V HA 0.180 4.300 4.120 -0.000 0.000 0.279 95 V C 0.201 176.370 176.094 0.125 0.000 1.045 95 V CA -0.220 62.124 62.300 0.074 0.000 0.938 95 V CB 0.996 32.919 31.823 0.167 0.000 0.986 95 V HN 0.877 nan 8.190 nan 0.000 0.467 96 L N 3.659 124.824 121.223 -0.096 0.000 2.262 96 L HA 0.345 4.685 4.340 -0.000 0.000 0.197 96 L C 0.127 176.721 176.870 -0.461 0.000 1.073 96 L CA 1.134 55.630 54.840 -0.573 0.000 0.800 96 L CB 0.076 41.486 42.059 -1.082 0.000 0.987 96 L HN 0.489 nan 8.230 nan 0.000 0.470 97 W N -0.285 121.071 121.300 0.093 0.000 2.936 97 W HA 0.665 5.325 4.660 -0.000 0.000 0.338 97 W C -1.020 175.627 176.519 0.215 0.000 1.121 97 W CA -1.138 56.311 57.345 0.173 0.000 1.209 97 W CB 1.447 30.921 29.460 0.023 0.000 1.420 97 W HN -0.301 nan 8.180 nan 0.000 0.516 98 I N 2.361 123.228 120.570 0.494 0.000 2.571 98 I HA 0.207 4.377 4.170 -0.000 0.000 0.286 98 I C -0.496 175.731 176.117 0.185 0.000 1.134 98 I CA -0.570 60.846 61.300 0.192 0.000 1.052 98 I CB 2.157 40.074 38.000 -0.137 0.000 1.237 98 I HN 0.450 nan 8.210 nan 0.000 0.435 99 E N 3.025 123.309 120.200 0.140 0.000 2.445 99 E HA 0.460 4.810 4.350 -0.000 0.000 0.279 99 E C -1.221 175.431 176.600 0.086 0.000 1.018 99 E CA -0.930 55.536 56.400 0.110 0.000 0.816 99 E CB 1.455 31.192 29.700 0.062 0.000 1.356 99 E HN 0.227 nan 8.360 nan 0.000 0.462 100 T N 1.537 116.139 114.554 0.080 0.000 2.871 100 T HA 0.104 4.454 4.350 -0.000 0.000 0.296 100 T C -0.242 174.497 174.700 0.064 0.000 0.998 100 T CA -0.094 62.047 62.100 0.068 0.000 1.162 100 T CB 0.001 68.909 68.868 0.066 0.000 0.947 100 T HN 0.355 nan 8.240 nan 0.000 0.536 101 L N 5.428 126.700 121.223 0.082 0.000 2.268 101 L HA 0.341 4.681 4.340 -0.000 0.000 0.289 101 L C 0.258 177.193 176.870 0.110 0.000 1.064 101 L CA -0.142 54.767 54.840 0.116 0.000 0.824 101 L CB 0.022 42.187 42.059 0.177 0.000 1.202 101 L HN 0.461 nan 8.230 nan 0.000 0.433 102 K N 5.640 126.110 120.400 0.117 0.000 2.319 102 K HA 0.267 4.586 4.320 -0.000 0.000 0.265 102 K C -2.145 174.529 176.600 0.123 0.000 1.000 102 K CA -1.424 54.926 56.287 0.106 0.000 0.943 102 K CB -0.024 32.581 32.500 0.176 0.000 0.950 102 K HN 0.465 nan 8.250 nan 0.000 0.485 103 P HA -0.004 nan 4.420 nan 0.000 0.268 103 P C -0.679 176.712 177.300 0.151 0.000 1.208 103 P CA -0.152 62.964 63.100 0.025 0.000 0.777 103 P CB 0.442 32.070 31.700 -0.120 0.000 0.875 104 N N 1.125 119.885 118.700 0.101 0.000 2.444 104 N HA 0.030 4.770 4.740 -0.000 0.000 0.255 104 N C 1.143 176.731 175.510 0.130 0.000 1.255 104 N CA -0.185 52.938 53.050 0.122 0.000 0.933 104 N CB 0.383 38.881 38.487 0.019 0.000 1.143 104 N HN 0.400 nan 8.380 nan 0.000 0.453 105 K N 0.245 120.712 120.400 0.111 0.000 2.057 105 K HA -0.079 4.241 4.320 -0.000 0.000 0.206 105 K C 1.340 177.868 176.600 -0.120 0.000 1.050 105 K CA 1.311 57.530 56.287 -0.115 0.000 0.935 105 K CB -0.049 32.242 32.500 -0.349 0.000 0.715 105 K HN 0.458 nan 8.250 nan 0.000 0.439 106 T N 1.693 116.215 114.554 -0.054 0.000 2.708 106 T HA -0.184 4.166 4.350 -0.000 0.000 0.266 106 T C 1.585 176.284 174.700 -0.002 0.000 1.037 106 T CA 1.868 63.945 62.100 -0.038 0.000 1.146 106 T CB -0.258 68.599 68.868 -0.019 0.000 0.865 106 T HN 0.568 nan 8.240 nan 0.000 0.435 107 E N 1.642 121.847 120.200 0.008 0.000 2.110 107 E HA -0.063 4.287 4.350 -0.000 0.000 0.193 107 E C 2.419 179.053 176.600 0.056 0.000 0.988 107 E CA 1.090 57.501 56.400 0.018 0.000 0.804 107 E CB -0.386 29.307 29.700 -0.011 0.000 0.745 107 E HN 0.470 nan 8.360 nan 0.000 0.458 108 A N 2.036 124.904 122.820 0.081 0.000 1.902 108 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 108 A C 2.350 180.075 177.584 0.235 0.000 1.181 108 A CA 1.291 53.431 52.037 0.172 0.000 0.623 108 A CB -0.713 18.509 19.000 0.370 0.000 0.818 108 A HN 0.276 nan 8.150 nan 0.000 0.443 109 L N -0.894 120.419 121.223 0.150 0.000 2.093 109 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 109 L C 2.761 179.692 176.870 0.102 0.000 1.085 109 L CA 1.728 56.645 54.840 0.130 0.000 0.755 109 L CB -0.945 41.133 42.059 0.033 0.000 0.904 109 L HN 0.348 nan 8.230 nan 0.000 0.435 110 T N -1.139 113.466 114.554 0.085 0.000 2.746 110 T HA -0.250 4.100 4.350 -0.000 0.000 0.267 110 T C 1.686 176.444 174.700 0.097 0.000 1.039 110 T CA 1.478 63.621 62.100 0.071 0.000 1.142 110 T CB -0.323 68.580 68.868 0.058 0.000 0.866 110 T HN 0.327 nan 8.240 nan 0.000 0.444 111 Y N 1.613 121.914 120.300 0.001 0.000 2.163 111 Y HA 0.004 4.554 4.550 -0.000 0.000 0.288 111 Y C 1.921 177.828 175.900 0.012 0.000 1.136 111 Y CA 1.053 59.144 58.100 -0.016 0.000 1.147 111 Y CB -0.527 37.893 38.460 -0.066 0.000 0.987 111 Y HN 0.133 nan 8.280 nan 0.000 0.509 112 L N -0.415 120.763 121.223 -0.075 0.000 2.109 112 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 112 L C 1.251 178.083 176.870 -0.064 0.000 1.086 112 L CA 1.473 56.241 54.840 -0.120 0.000 0.760 112 L CB -0.266 41.889 42.059 0.159 0.000 0.910 112 L HN 0.163 nan 8.230 nan 0.000 0.437 113 D N -1.329 119.070 120.400 -0.002 0.000 2.479 113 D HA 0.032 4.672 4.640 -0.000 0.000 0.221 113 D C 0.742 177.042 176.300 0.000 0.000 1.104 113 D CA 0.381 54.392 54.000 0.018 0.000 0.849 113 D CB 0.630 41.463 40.800 0.054 0.000 1.072 113 D HN 0.269 nan 8.370 nan 0.000 0.502 114 E N 0.752 120.947 120.200 -0.008 0.000 2.968 114 E HA 0.089 4.438 4.350 -0.000 0.000 0.202 114 E C -0.978 175.616 176.600 -0.009 0.000 0.979 114 E CA -0.126 56.273 56.400 -0.002 0.000 1.192 114 E CB 0.681 30.389 29.700 0.013 0.000 1.059 114 E HN -0.085 nan 8.360 nan 0.000 0.470 115 D N 0.652 121.027 120.400 -0.043 0.000 2.733 115 D HA -0.200 4.440 4.640 -0.000 0.000 0.232 115 D C 0.533 176.844 176.300 0.018 0.000 1.161 115 D CA 1.267 55.241 54.000 -0.043 0.000 0.653 115 D CB -1.248 39.535 40.800 -0.028 0.000 1.052 115 D HN 0.448 nan 8.370 nan 0.000 0.424 116 G N -0.422 108.410 108.800 0.053 0.000 2.653 116 G HA2 0.329 4.288 3.960 -0.000 0.000 0.265 116 G HA3 0.329 4.288 3.960 -0.000 0.000 0.265 116 G C 0.147 175.154 174.900 0.178 0.000 1.237 116 G CA -0.605 44.554 45.100 0.098 0.000 0.946 116 G HN 0.043 nan 8.290 nan 0.000 0.522 117 D N -0.595 119.871 120.400 0.111 0.000 2.362 117 D HA 0.120 4.760 4.640 -0.000 0.000 0.242 117 D C 0.778 177.082 176.300 0.007 0.000 1.132 117 D CA -0.008 54.035 54.000 0.072 0.000 0.907 117 D CB 1.156 41.960 40.800 0.007 0.000 1.195 117 D HN 0.081 nan 8.370 nan 0.000 0.429 118 L N 2.601 123.730 121.223 -0.157 0.000 2.578 118 L HA 0.036 4.376 4.340 -0.000 0.000 0.279 118 L C -1.784 174.891 176.870 -0.325 0.000 1.227 118 L CA -1.051 53.481 54.840 -0.514 0.000 0.900 118 L CB -0.128 41.688 42.059 -0.405 0.000 1.144 118 L HN 0.145 nan 8.230 nan 0.000 0.496 119 P HA 0.130 nan 4.420 nan 0.000 0.270 119 P C -2.419 174.770 177.300 -0.185 0.000 1.223 119 P CA -0.938 62.030 63.100 -0.220 0.000 0.785 119 P CB -0.113 31.448 31.700 -0.231 0.000 0.923 120 P HA 0.120 nan 4.420 nan 0.000 0.266 120 P C -0.426 176.823 177.300 -0.085 0.000 1.195 120 P CA 0.118 63.168 63.100 -0.082 0.000 0.768 120 P CB 0.331 32.003 31.700 -0.046 0.000 0.838 121 R N 3.441 123.898 120.500 -0.071 0.000 2.198 121 R HA 0.342 4.682 4.340 -0.000 0.000 0.339 121 R C -0.604 175.688 176.300 -0.013 0.000 1.020 121 R CA 0.007 56.073 56.100 -0.057 0.000 0.864 121 R CB -0.406 29.859 30.300 -0.059 0.000 1.105 121 R HN 0.401 nan 8.270 nan 0.000 0.463 122 N N 1.857 120.563 118.700 0.010 0.000 2.262 122 N HA 0.573 5.312 4.740 -0.000 0.000 0.295 122 N C -1.459 174.090 175.510 0.064 0.000 1.161 122 N CA -0.674 52.404 53.050 0.046 0.000 0.767 122 N CB 2.233 40.764 38.487 0.074 0.000 1.499 122 N HN 0.588 nan 8.380 nan 0.000 0.476 123 A N 0.721 123.588 122.820 0.078 0.000 2.337 123 A HA 0.563 4.883 4.320 -0.000 0.000 0.329 123 A C -0.048 177.608 177.584 0.121 0.000 1.146 123 A CA -0.683 51.407 52.037 0.089 0.000 0.800 123 A CB 1.001 20.045 19.000 0.074 0.000 1.220 123 A HN 0.654 nan 8.150 nan 0.000 0.472 124 R N 1.290 121.866 120.500 0.128 0.000 2.312 124 R HA 0.558 4.897 4.340 -0.000 0.000 0.311 124 R C -0.735 175.664 176.300 0.165 0.000 1.004 124 R CA 0.088 56.282 56.100 0.158 0.000 0.902 124 R CB 1.062 31.446 30.300 0.139 0.000 1.073 124 R HN 0.698 nan 8.270 nan 0.000 0.457 125 T N 2.498 117.162 114.554 0.183 0.000 2.907 125 T HA 0.528 4.877 4.350 -0.000 0.000 0.292 125 T C -1.456 173.373 174.700 0.216 0.000 1.043 125 T CA -0.554 61.664 62.100 0.197 0.000 1.003 125 T CB 1.478 70.439 68.868 0.154 0.000 1.084 125 T HN 0.306 nan 8.240 nan 0.000 0.483 126 V N 3.969 124.017 119.914 0.224 0.000 2.483 126 V HA 0.629 4.748 4.120 -0.000 0.000 0.297 126 V C -0.675 175.438 176.094 0.031 0.000 1.027 126 V CA -0.689 61.721 62.300 0.183 0.000 0.855 126 V CB 1.624 33.618 31.823 0.285 0.000 0.995 126 V HN 0.766 nan 8.190 nan 0.000 0.424 127 V N 4.686 124.579 119.914 -0.035 0.000 2.588 127 V HA 0.409 4.529 4.120 -0.000 0.000 0.304 127 V C -0.981 174.813 176.094 -0.500 0.000 1.042 127 V CA -0.918 61.179 62.300 -0.338 0.000 0.877 127 V CB 2.047 33.535 31.823 -0.557 0.000 0.996 127 V HN 0.784 nan 8.190 nan 0.000 0.425 128 Y N 4.877 124.645 120.300 -0.887 0.000 2.336 128 Y HA 0.597 5.147 4.550 -0.000 0.000 0.335 128 Y C -0.886 174.306 175.900 -1.180 0.000 1.046 128 Y CA -0.886 56.520 58.100 -1.158 0.000 1.198 128 Y CB 0.793 38.265 38.460 -1.647 0.000 1.182 128 Y HN 0.519 nan 8.280 nan 0.000 0.502 129 F N 4.880 123.911 119.950 -1.531 0.000 2.361 129 F HA 0.398 4.925 4.527 -0.000 0.000 0.364 129 F C 0.934 175.821 175.800 -1.521 0.000 1.117 129 F CA -0.370 56.856 58.000 -1.288 0.000 1.071 129 F CB 1.815 40.142 39.000 -1.122 0.000 1.188 129 F HN 0.786 nan 8.300 nan 0.000 0.464 130 G N 1.601 109.921 108.800 -0.800 0.000 3.159 130 G HA2 -0.007 3.952 3.960 -0.000 0.000 0.232 130 G HA3 -0.007 3.952 3.960 -0.000 0.000 0.232 130 G C 1.114 175.971 174.900 -0.071 0.000 1.116 130 G CA -0.087 44.787 45.100 -0.377 0.000 0.767 130 G HN 0.709 nan 8.290 nan 0.000 0.547 131 E N 0.342 120.508 120.200 -0.057 0.000 2.268 131 E HA 0.110 4.460 4.350 -0.000 0.000 0.195 131 E C 1.455 178.079 176.600 0.041 0.000 0.995 131 E CA 0.477 56.903 56.400 0.044 0.000 0.836 131 E CB -0.004 29.732 29.700 0.060 0.000 0.763 131 E HN 0.204 nan 8.360 nan 0.000 0.491 132 G N 0.890 109.689 108.800 -0.002 0.000 2.525 132 G HA2 -0.017 3.942 3.960 -0.000 0.000 0.287 132 G HA3 -0.017 3.942 3.960 -0.000 0.000 0.287 132 G C 0.278 175.210 174.900 0.053 0.000 1.350 132 G CA -0.140 44.978 45.100 0.030 0.000 1.039 132 G HN 0.198 nan 8.290 nan 0.000 0.513 133 E N -0.896 119.340 120.200 0.059 0.000 2.204 133 E HA -0.047 4.303 4.350 -0.000 0.000 0.194 133 E C -0.100 176.538 176.600 0.064 0.000 0.989 133 E CA 0.768 57.206 56.400 0.063 0.000 0.824 133 E CB 0.159 29.889 29.700 0.050 0.000 0.756 133 E HN 0.316 nan 8.360 nan 0.000 0.477 134 E N -0.418 119.823 120.200 0.068 0.000 2.272 134 E HA 0.370 4.720 4.350 -0.000 0.000 0.269 134 E C -0.605 176.025 176.600 0.051 0.000 0.877 134 E CA -0.519 55.922 56.400 0.069 0.000 0.755 134 E CB 1.798 31.566 29.700 0.112 0.000 1.192 134 E HN 0.176 nan 8.360 nan 0.000 0.422 135 G N 1.521 110.300 108.800 -0.036 0.000 2.425 135 G HA2 0.575 4.534 3.960 -0.000 0.000 0.302 135 G HA3 0.575 4.534 3.960 -0.000 0.000 0.302 135 G C -1.041 173.885 174.900 0.043 0.000 1.159 135 G CA -0.252 44.737 45.100 -0.185 0.000 0.865 135 G HN 0.456 nan 8.290 nan 0.000 0.515 136 Y N -1.544 118.615 120.300 -0.234 0.000 2.641 136 Y HA 0.640 5.190 4.550 -0.000 0.000 0.333 136 Y C -1.624 174.158 175.900 -0.197 0.000 1.174 136 Y CA -2.293 55.789 58.100 -0.029 0.000 1.057 136 Y CB 0.740 39.210 38.460 0.017 0.000 1.322 136 Y HN 0.406 nan 8.280 nan 0.000 0.457 137 F N 1.531 121.658 119.950 0.296 0.000 2.385 137 F HA 0.553 5.079 4.527 -0.000 0.000 0.336 137 F C 0.251 176.227 175.800 0.294 0.000 1.100 137 F CA -0.372 57.749 58.000 0.202 0.000 1.116 137 F CB 1.699 40.795 39.000 0.159 0.000 1.166 137 F HN 0.632 nan 8.300 nan 0.000 0.511 138 E N 1.987 122.434 120.200 0.413 0.000 2.248 138 E HA 0.287 4.637 4.350 -0.000 0.000 0.267 138 E C -1.355 175.403 176.600 0.263 0.000 0.877 138 E CA -0.708 55.910 56.400 0.362 0.000 0.759 138 E CB 1.282 31.242 29.700 0.434 0.000 1.182 138 E HN 0.615 nan 8.360 nan 0.000 0.418 139 E N 3.783 124.106 120.200 0.205 0.000 2.227 139 E HA 0.357 4.706 4.350 -0.000 0.000 0.282 139 E C -0.675 176.019 176.600 0.158 0.000 1.015 139 E CA -0.327 56.186 56.400 0.188 0.000 0.823 139 E CB 1.307 31.115 29.700 0.179 0.000 1.081 139 E HN 0.347 nan 8.360 nan 0.000 0.396 140 L N 2.770 124.097 121.223 0.174 0.000 2.386 140 L HA 0.416 4.756 4.340 -0.000 0.000 0.271 140 L C -0.236 176.733 176.870 0.164 0.000 0.993 140 L CA -0.890 54.049 54.840 0.166 0.000 0.819 140 L CB 2.012 44.191 42.059 0.200 0.000 1.294 140 L HN 0.345 nan 8.230 nan 0.000 0.414 141 K N 2.332 122.822 120.400 0.151 0.000 2.234 141 K HA 0.583 4.903 4.320 -0.000 0.000 0.282 141 K C -1.364 175.315 176.600 0.132 0.000 1.039 141 K CA -0.430 55.948 56.287 0.152 0.000 0.928 141 K CB 1.329 33.925 32.500 0.160 0.000 1.039 141 K HN 0.395 nan 8.250 nan 0.000 0.470 142 V N 3.448 123.433 119.914 0.119 0.000 2.407 142 V HA 0.718 4.838 4.120 -0.000 0.000 0.291 142 V C 0.156 176.295 176.094 0.075 0.000 1.018 142 V CA -0.394 61.965 62.300 0.097 0.000 0.842 142 V CB 1.035 32.916 31.823 0.097 0.000 0.996 142 V HN 1.050 nan 8.190 nan 0.000 0.426 143 G N 5.747 114.583 108.800 0.060 0.000 2.328 143 G HA2 0.504 4.464 3.960 -0.000 0.000 0.295 143 G HA3 0.504 4.464 3.960 -0.000 0.000 0.295 143 G C -3.505 171.413 174.900 0.031 0.000 1.413 143 G CA -0.659 44.466 45.100 0.042 0.000 0.817 143 G HN 0.467 nan 8.290 nan 0.000 0.546 144 P HA 0.506 nan 4.420 nan 0.000 0.274 144 P C -0.477 176.827 177.300 0.007 0.000 1.256 144 P CA -0.295 62.809 63.100 0.008 0.000 0.795 144 P CB 1.307 33.003 31.700 -0.006 0.000 1.038 145 L N 0.624 121.847 121.223 0.000 0.000 2.330 145 L HA 0.501 4.840 4.340 -0.000 0.000 0.271 145 L C -2.041 174.822 176.870 -0.011 0.000 1.013 145 L CA -2.434 52.405 54.840 -0.001 0.000 0.816 145 L CB 1.157 43.218 42.059 0.004 0.000 1.287 145 L HN 0.239 nan 8.230 nan 0.000 0.435 146 P HA 0.076 nan 4.420 nan 0.000 0.270 146 P C -0.631 176.669 177.300 0.000 0.000 1.223 146 P CA -0.476 62.622 63.100 -0.004 0.000 0.785 146 P CB 0.463 32.159 31.700 -0.006 0.000 0.923 147 V N 1.670 121.586 119.914 0.004 0.000 2.617 147 V HA 0.239 4.359 4.120 -0.000 0.000 0.304 147 V C 0.934 177.030 176.094 0.004 0.000 1.040 147 V CA 1.098 63.403 62.300 0.008 0.000 1.149 147 V CB -0.208 31.622 31.823 0.012 0.000 0.914 147 V HN 0.909 nan 8.190 nan 0.000 0.487 148 S N 2.640 118.343 115.700 0.004 0.000 2.880 148 S HA 0.373 4.843 4.470 -0.000 0.000 0.308 148 S C 0.302 174.903 174.600 0.003 0.000 1.195 148 S CA -0.589 57.612 58.200 0.002 0.000 0.866 148 S CB 1.623 64.823 63.200 -0.001 0.000 1.254 148 S HN 0.520 nan 8.310 nan 0.000 0.571 149 D N 0.406 120.806 120.400 0.001 0.000 2.347 149 D HA 0.076 4.716 4.640 -0.000 0.000 0.215 149 D C 1.174 177.475 176.300 0.001 0.000 0.976 149 D CA 0.535 54.535 54.000 0.000 0.000 0.884 149 D CB 0.108 40.908 40.800 -0.001 0.000 0.915 149 D HN 0.629 nan 8.370 nan 0.000 0.526 150 E N 0.368 120.569 120.200 0.001 0.000 2.385 150 E HA -0.023 4.327 4.350 -0.000 0.000 0.194 150 E C -0.056 176.548 176.600 0.006 0.000 1.013 150 E CA 0.198 56.599 56.400 0.002 0.000 0.866 150 E CB 0.440 30.140 29.700 -0.000 0.000 0.832 150 E HN 0.021 nan 8.360 nan 0.000 0.500 151 T N 1.728 116.287 114.554 0.009 0.000 2.902 151 T HA 0.073 4.422 4.350 -0.000 0.000 0.301 151 T C 0.246 174.957 174.700 0.019 0.000 1.012 151 T CA 0.226 62.336 62.100 0.016 0.000 1.151 151 T CB 0.999 69.877 68.868 0.017 0.000 0.946 151 T HN 0.180 nan 8.240 nan 0.000 0.542 152 T N 0.347 114.918 114.554 0.028 0.000 2.907 152 T HA 0.768 5.118 4.350 -0.000 0.000 0.290 152 T C -0.523 174.209 174.700 0.055 0.000 1.066 152 T CA -1.025 61.094 62.100 0.033 0.000 1.012 152 T CB 1.153 70.040 68.868 0.031 0.000 1.184 152 T HN 0.448 nan 8.240 nan 0.000 0.522 153 I N 1.340 121.949 120.570 0.064 0.000 2.418 153 I HA 0.483 4.653 4.170 -0.000 0.000 0.287 153 I C -0.390 175.792 176.117 0.108 0.000 1.008 153 I CA -0.685 60.679 61.300 0.107 0.000 1.104 153 I CB 1.751 39.836 38.000 0.142 0.000 1.264 153 I HN 0.730 nan 8.210 nan 0.000 0.438 154 E N 6.668 126.936 120.200 0.112 0.000 2.367 154 E HA 0.445 4.795 4.350 -0.000 0.000 0.273 154 E C -2.674 173.985 176.600 0.098 0.000 0.903 154 E CA -2.196 54.259 56.400 0.093 0.000 0.764 154 E CB 2.117 31.861 29.700 0.075 0.000 1.252 154 E HN 0.233 nan 8.360 nan 0.000 0.446 155 P HA -0.010 nan 4.420 nan 0.000 0.266 155 P C -1.157 176.169 177.300 0.043 0.000 1.195 155 P CA -0.133 62.997 63.100 0.051 0.000 0.768 155 P CB 0.355 32.063 31.700 0.014 0.000 0.838 156 L N 3.119 124.355 121.223 0.021 0.000 2.349 156 L HA 0.527 4.866 4.340 -0.000 0.000 0.278 156 L C 0.292 177.026 176.870 -0.227 0.000 0.996 156 L CA 0.445 55.262 54.840 -0.039 0.000 0.825 156 L CB 1.296 43.377 42.059 0.037 0.000 1.243 156 L HN 0.456 nan 8.230 nan 0.000 0.412 157 S N 2.209 117.703 115.700 -0.342 0.000 2.702 157 S HA 0.012 4.482 4.470 -0.000 0.000 0.257 157 S C 1.069 175.376 174.600 -0.490 0.000 0.981 157 S CA 0.184 58.117 58.200 -0.444 0.000 1.414 157 S CB -0.919 62.173 63.200 -0.180 0.000 1.239 157 S HN 0.565 nan 8.310 nan 0.000 0.676 158 F N 3.161 122.891 119.950 -0.367 0.000 2.202 158 F HA 0.021 4.548 4.527 -0.000 0.000 0.301 158 F C 1.807 177.541 175.800 -0.110 0.000 1.082 158 F CA 0.820 58.716 58.000 -0.174 0.000 1.313 158 F CB -1.202 37.762 39.000 -0.060 0.000 1.024 158 F HN 0.381 nan 8.300 nan 0.000 0.495 159 Y N -0.578 119.435 120.300 -0.478 0.000 2.490 159 Y HA 0.377 4.927 4.550 -0.000 0.000 0.281 159 Y C -0.178 175.689 175.900 -0.056 0.000 1.174 159 Y CA -1.420 56.554 58.100 -0.209 0.000 1.295 159 Y CB -1.522 36.721 38.460 -0.361 0.000 1.062 159 Y HN -0.068 nan 8.280 nan 0.000 0.522 160 N N 1.670 120.295 118.700 -0.124 0.000 2.414 160 N HA 0.042 4.782 4.740 -0.000 0.000 0.256 160 N C 1.143 176.676 175.510 0.038 0.000 1.029 160 N CA 0.673 53.732 53.050 0.014 0.000 0.948 160 N CB 1.596 40.043 38.487 -0.065 0.000 1.102 160 N HN 0.438 nan 8.380 nan 0.000 0.496 161 T N -1.091 113.518 114.554 0.093 0.000 2.929 161 T HA -0.196 4.154 4.350 -0.000 0.000 0.271 161 T C 1.195 175.918 174.700 0.038 0.000 1.085 161 T CA 0.979 63.129 62.100 0.084 0.000 1.125 161 T CB -0.133 68.789 68.868 0.090 0.000 0.874 161 T HN 0.491 nan 8.240 nan 0.000 0.494 162 N N 1.717 120.430 118.700 0.023 0.000 2.461 162 N HA 0.153 4.893 4.740 -0.000 0.000 0.188 162 N C 1.589 177.099 175.510 0.001 0.000 1.134 162 N CA 0.792 53.849 53.050 0.012 0.000 0.878 162 N CB -0.750 37.745 38.487 0.013 0.000 0.972 162 N HN 0.670 nan 8.380 nan 0.000 0.456 163 G N -0.290 108.506 108.800 -0.007 0.000 2.148 163 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.254 163 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.254 163 G C -0.373 174.506 174.900 -0.035 0.000 0.981 163 G CA 0.515 45.604 45.100 -0.018 0.000 0.670 163 G HN 0.538 nan 8.290 nan 0.000 0.528 164 K N 0.056 120.433 120.400 -0.039 0.000 2.207 164 K HA 0.581 4.901 4.320 -0.000 0.000 0.255 164 K C 1.297 177.866 176.600 -0.052 0.000 0.941 164 K CA -0.093 56.169 56.287 -0.042 0.000 0.825 164 K CB 1.654 34.139 32.500 -0.025 0.000 1.119 164 K HN 0.227 nan 8.250 nan 0.000 0.430 165 S N 1.269 116.940 115.700 -0.049 0.000 2.503 165 S HA 0.047 4.517 4.470 -0.000 0.000 0.217 165 S C 0.282 174.904 174.600 0.037 0.000 0.999 165 S CA 0.092 58.279 58.200 -0.022 0.000 0.914 165 S CB 0.011 63.201 63.200 -0.016 0.000 0.782 165 S HN 0.420 nan 8.310 nan 0.000 0.520 166 K N 1.208 121.607 120.400 -0.001 0.000 2.213 166 K HA 0.498 4.818 4.320 -0.000 0.000 0.270 166 K C -1.531 175.122 176.600 0.090 0.000 1.002 166 K CA -0.665 55.640 56.287 0.030 0.000 0.868 166 K CB 1.711 34.072 32.500 -0.230 0.000 1.093 166 K HN 0.136 nan 8.250 nan 0.000 0.454 167 L N 5.741 127.096 121.223 0.220 0.000 2.262 167 L HA 0.376 4.716 4.340 -0.000 0.000 0.288 167 L C -2.612 174.444 176.870 0.310 0.000 1.035 167 L CA -2.055 52.919 54.840 0.222 0.000 0.820 167 L CB 0.863 43.058 42.059 0.226 0.000 1.204 167 L HN 0.387 nan 8.230 nan 0.000 0.424 168 P HA 0.005 nan 4.420 nan 0.000 0.268 168 P C 0.489 177.948 177.300 0.265 0.000 1.205 168 P CA 0.043 63.277 63.100 0.223 0.000 0.771 168 P CB 0.335 32.096 31.700 0.103 0.000 0.858 169 F N 3.255 123.306 119.950 0.169 0.000 2.111 169 F HA -0.308 4.218 4.527 -0.000 0.000 0.300 169 F C 1.863 177.668 175.800 0.008 0.000 1.088 169 F CA 1.901 59.981 58.000 0.133 0.000 1.243 169 F CB -0.164 38.853 39.000 0.029 0.000 0.996 169 F HN 0.318 nan 8.300 nan 0.000 0.483 170 E N -0.030 120.170 120.200 0.000 0.000 2.153 170 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 170 E C 1.887 178.256 176.600 -0.384 0.000 0.988 170 E CA 1.565 57.810 56.400 -0.260 0.000 0.811 170 E CB -0.570 28.845 29.700 -0.475 0.000 0.746 170 E HN 0.480 nan 8.360 nan 0.000 0.466 171 V N -2.305 117.443 119.914 -0.277 0.000 3.043 171 V HA 0.479 4.598 4.120 -0.000 0.000 0.357 171 V C 0.829 176.847 176.094 -0.126 0.000 1.372 171 V CA -0.057 62.131 62.300 -0.187 0.000 1.214 171 V CB 0.148 31.899 31.823 -0.119 0.000 1.224 171 V HN -0.038 nan 8.190 nan 0.000 0.507 172 G N 0.037 108.750 108.800 -0.145 0.000 2.653 172 G HA2 0.263 4.223 3.960 -0.000 0.000 0.265 172 G HA3 0.263 4.223 3.960 -0.000 0.000 0.265 172 G C -0.370 174.384 174.900 -0.244 0.000 1.237 172 G CA -0.340 44.720 45.100 -0.066 0.000 0.946 172 G HN 0.699 nan 8.290 nan 0.000 0.522 173 H N -0.913 117.734 119.070 -0.705 0.000 2.815 173 H HA 0.182 4.738 4.556 -0.000 0.000 0.350 173 H C 0.325 175.513 175.328 -0.234 0.000 1.080 173 H CA -0.648 55.101 56.048 -0.498 0.000 1.433 173 H CB 1.029 30.378 29.762 -0.688 0.000 1.432 173 H HN 0.244 nan 8.280 nan 0.000 0.592 174 L N 6.164 126.954 121.223 -0.722 0.000 2.415 174 L HA 0.148 4.488 4.340 -0.000 0.000 0.269 174 L C -0.517 176.073 176.870 -0.468 0.000 1.244 174 L CA -0.091 54.485 54.840 -0.439 0.000 1.113 174 L CB -1.455 40.417 42.059 -0.312 0.000 1.352 174 L HN 0.781 nan 8.230 nan 0.000 0.433 175 D N 1.573 121.910 120.400 -0.105 0.000 2.511 175 D HA 0.172 4.812 4.640 -0.000 0.000 0.276 175 D C 0.952 177.314 176.300 0.105 0.000 1.220 175 D CA -0.415 53.701 54.000 0.193 0.000 1.077 175 D CB 0.528 41.637 40.800 0.514 0.000 1.126 175 D HN 0.263 nan 8.370 nan 0.000 0.583 176 R N -0.873 119.613 120.500 -0.024 0.000 2.096 176 R HA -0.036 4.304 4.340 -0.000 0.000 0.235 176 R C 2.002 178.239 176.300 -0.105 0.000 1.127 176 R CA 0.799 56.784 56.100 -0.191 0.000 0.968 176 R CB -0.317 29.656 30.300 -0.546 0.000 0.861 176 R HN 0.459 nan 8.270 nan 0.000 0.440 177 I N 1.136 121.656 120.570 -0.084 0.000 2.163 177 I HA -0.249 3.921 4.170 -0.000 0.000 0.240 177 I C 2.357 178.514 176.117 0.066 0.000 1.081 177 I CA 1.468 62.713 61.300 -0.092 0.000 1.353 177 I CB -0.979 36.951 38.000 -0.117 0.000 1.054 177 I HN 0.128 nan 8.210 nan 0.000 0.407 178 K N 0.900 121.480 120.400 0.299 0.000 2.057 178 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 178 K C 2.336 179.123 176.600 0.311 0.000 1.049 178 K CA 1.630 58.198 56.287 0.467 0.000 0.931 178 K CB 0.072 32.770 32.500 0.330 0.000 0.714 178 K HN 0.090 nan 8.250 nan 0.000 0.440 179 S N 0.435 116.245 115.700 0.184 0.000 2.370 179 S HA -0.182 4.287 4.470 -0.000 0.000 0.226 179 S C 1.990 176.687 174.600 0.161 0.000 1.033 179 S CA 1.297 59.600 58.200 0.171 0.000 1.011 179 S CB -0.350 62.921 63.200 0.118 0.000 0.852 179 S HN 0.545 nan 8.310 nan 0.000 0.457 180 A N 1.379 124.250 122.820 0.086 0.000 1.902 180 A HA 0.101 4.421 4.320 -0.000 0.000 0.217 180 A C 2.341 179.973 177.584 0.080 0.000 1.181 180 A CA 1.730 53.795 52.037 0.048 0.000 0.623 180 A CB -1.032 17.945 19.000 -0.039 0.000 0.818 180 A HN 0.523 nan 8.150 nan 0.000 0.443 181 A N -0.169 122.709 122.820 0.097 0.000 1.902 181 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 181 A C 2.109 179.925 177.584 0.386 0.000 1.181 181 A CA 1.805 53.923 52.037 0.134 0.000 0.623 181 A CB -0.392 18.673 19.000 0.108 0.000 0.818 181 A HN 0.548 nan 8.150 nan 0.000 0.443 182 K N -0.457 120.236 120.400 0.487 0.000 2.057 182 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 182 K C 2.434 179.245 176.600 0.352 0.000 1.050 182 K CA 1.293 57.886 56.287 0.511 0.000 0.935 182 K CB -0.214 32.548 32.500 0.438 0.000 0.715 182 K HN 0.444 nan 8.250 nan 0.000 0.439 183 S N 0.525 116.382 115.700 0.262 0.000 2.368 183 S HA -0.171 4.298 4.470 -0.000 0.000 0.225 183 S C 2.165 176.855 174.600 0.149 0.000 1.030 183 S CA 1.842 60.157 58.200 0.191 0.000 0.999 183 S CB -0.279 63.011 63.200 0.149 0.000 0.844 183 S HN 0.287 nan 8.310 nan 0.000 0.459 184 S N -0.190 115.596 115.700 0.143 0.000 2.368 184 S HA -0.087 4.383 4.470 -0.000 0.000 0.224 184 S C 1.598 176.261 174.600 0.105 0.000 1.029 184 S CA 1.365 59.621 58.200 0.092 0.000 0.988 184 S CB -0.752 62.481 63.200 0.055 0.000 0.838 184 S HN 0.678 nan 8.310 nan 0.000 0.462 185 F N 2.029 122.012 119.950 0.054 0.000 2.134 185 F HA 0.029 4.556 4.527 -0.000 0.000 0.299 185 F C 1.777 177.552 175.800 -0.041 0.000 1.097 185 F CA 1.442 59.474 58.000 0.052 0.000 1.264 185 F CB -0.333 38.811 39.000 0.241 0.000 1.001 185 F HN 0.186 nan 8.300 nan 0.000 0.479 186 L N 0.389 121.549 121.223 -0.105 0.000 2.056 186 L HA -0.250 4.090 4.340 -0.000 0.000 0.207 186 L C 2.518 179.255 176.870 -0.221 0.000 1.078 186 L CA 1.682 56.352 54.840 -0.284 0.000 0.749 186 L CB -1.025 40.984 42.059 -0.083 0.000 0.901 186 L HN 0.365 nan 8.230 nan 0.000 0.433 187 N N 0.971 119.628 118.700 -0.071 0.000 2.120 187 N HA -0.265 4.475 4.740 -0.000 0.000 0.188 187 N C 1.946 177.356 175.510 -0.166 0.000 1.024 187 N CA 1.428 54.464 53.050 -0.024 0.000 0.852 187 N CB 0.076 38.596 38.487 0.054 0.000 1.003 187 N HN 0.293 nan 8.380 nan 0.000 0.424 188 K N 0.516 120.798 120.400 -0.196 0.000 2.097 188 K HA -0.074 4.246 4.320 -0.000 0.000 0.206 188 K C 1.573 178.007 176.600 -0.277 0.000 1.049 188 K CA 1.193 57.352 56.287 -0.214 0.000 0.933 188 K CB 0.004 32.393 32.500 -0.184 0.000 0.717 188 K HN 0.273 nan 8.250 nan 0.000 0.442 189 N N 0.086 118.553 118.700 -0.388 0.000 2.336 189 N HA -0.014 4.725 4.740 -0.000 0.000 0.177 189 N C 1.620 176.979 175.510 -0.252 0.000 1.018 189 N CA 0.718 53.572 53.050 -0.326 0.000 0.878 189 N CB 0.210 38.432 38.487 -0.441 0.000 0.997 189 N HN 0.183 nan 8.380 nan 0.000 0.433 190 L N 0.347 121.392 121.223 -0.297 0.000 2.509 190 L HA 0.083 4.423 4.340 -0.000 0.000 0.222 190 L C 1.022 177.548 176.870 -0.573 0.000 1.123 190 L CA 0.330 54.982 54.840 -0.313 0.000 0.856 190 L CB 0.013 41.973 42.059 -0.165 0.000 0.985 190 L HN -0.011 nan 8.230 nan 0.000 0.456 191 N N -0.193 118.140 118.700 -0.611 0.000 2.273 191 N HA 0.003 4.742 4.740 -0.000 0.000 0.231 191 N C 0.445 175.708 175.510 -0.412 0.000 1.134 191 N CA -0.046 52.554 53.050 -0.751 0.000 0.856 191 N CB 0.209 38.263 38.487 -0.721 0.000 1.068 191 N HN 0.168 nan 8.380 nan 0.000 0.510 192 T N -4.218 110.142 114.554 -0.323 0.000 2.788 192 T HA 0.100 4.450 4.350 -0.000 0.000 0.287 192 T C 1.483 176.045 174.700 -0.229 0.000 1.007 192 T CA -0.256 61.704 62.100 -0.233 0.000 1.005 192 T CB 0.699 69.452 68.868 -0.192 0.000 1.012 192 T HN -0.028 nan 8.240 nan 0.000 0.530 193 T N 0.889 115.330 114.554 -0.189 0.000 2.720 193 T HA -0.079 4.270 4.350 -0.000 0.000 0.268 193 T C 1.898 176.470 174.700 -0.214 0.000 1.037 193 T CA 1.518 63.508 62.100 -0.183 0.000 1.144 193 T CB -0.519 68.253 68.868 -0.159 0.000 0.864 193 T HN 0.565 nan 8.240 nan 0.000 0.444 194 I N 0.375 120.799 120.570 -0.243 0.000 2.202 194 I HA -0.133 4.037 4.170 -0.000 0.000 0.242 194 I C 2.466 178.435 176.117 -0.246 0.000 1.091 194 I CA 0.937 62.059 61.300 -0.296 0.000 1.368 194 I CB -0.271 37.537 38.000 -0.320 0.000 1.058 194 I HN 0.195 nan 8.210 nan 0.000 0.410 195 M N 0.092 119.538 119.600 -0.256 0.000 2.254 195 M HA -0.104 4.375 4.480 -0.000 0.000 0.265 195 M C 2.337 178.458 176.300 -0.297 0.000 1.066 195 M CA 1.532 56.652 55.300 -0.300 0.000 1.123 195 M CB -1.083 31.329 32.600 -0.314 0.000 1.388 195 M HN 0.168 nan 8.290 nan 0.000 0.425 196 R N 0.024 120.359 120.500 -0.276 0.000 2.096 196 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 196 R C 2.006 178.205 176.300 -0.168 0.000 1.127 196 R CA 1.467 57.434 56.100 -0.222 0.000 0.968 196 R CB -0.395 29.787 30.300 -0.196 0.000 0.861 196 R HN 0.465 nan 8.270 nan 0.000 0.440 197 D N 0.252 120.559 120.400 -0.156 0.000 2.117 197 D HA -0.110 4.529 4.640 -0.000 0.000 0.198 197 D C 1.825 178.050 176.300 -0.124 0.000 0.982 197 D CA 1.051 54.991 54.000 -0.101 0.000 0.828 197 D CB 0.284 41.058 40.800 -0.043 0.000 0.967 197 D HN -0.010 nan 8.370 nan 0.000 0.464 198 V N 1.521 121.336 119.914 -0.165 0.000 2.233 198 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 198 V C 2.866 178.741 176.094 -0.365 0.000 1.050 198 V CA 1.298 63.443 62.300 -0.258 0.000 1.010 198 V CB -0.629 31.014 31.823 -0.300 0.000 0.637 198 V HN 0.257 nan 8.190 nan 0.000 0.444 199 L N -0.246 120.725 121.223 -0.419 0.000 1.990 199 L HA -0.272 4.067 4.340 -0.000 0.000 0.213 199 L C 2.638 179.344 176.870 -0.274 0.000 1.072 199 L CA 2.373 56.938 54.840 -0.458 0.000 0.755 199 L CB -0.632 41.219 42.059 -0.348 0.000 0.889 199 L HN 0.447 nan 8.230 nan 0.000 0.432 200 E N -0.024 120.069 120.200 -0.178 0.000 2.110 200 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 200 E C 2.162 178.696 176.600 -0.110 0.000 0.988 200 E CA 1.108 57.440 56.400 -0.112 0.000 0.804 200 E CB -0.148 29.507 29.700 -0.075 0.000 0.745 200 E HN 0.450 nan 8.360 nan 0.000 0.458 201 G N 0.894 109.610 108.800 -0.139 0.000 2.402 201 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.216 201 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.216 201 G C 1.529 176.358 174.900 -0.119 0.000 1.162 201 G CA 0.640 45.666 45.100 -0.125 0.000 0.777 201 G HN 0.204 nan 8.290 nan 0.000 0.539 202 L N -0.404 120.700 121.223 -0.197 0.000 2.131 202 L HA 0.195 4.535 4.340 -0.000 0.000 0.206 202 L C 2.652 179.483 176.870 -0.066 0.000 1.087 202 L CA 0.606 55.330 54.840 -0.194 0.000 0.767 202 L CB -0.152 41.634 42.059 -0.455 0.000 0.917 202 L HN 0.188 nan 8.230 nan 0.000 0.441 203 I N -1.276 119.240 120.570 -0.091 0.000 3.081 203 I HA 0.098 4.268 4.170 -0.000 0.000 0.274 203 I C 1.584 177.709 176.117 0.014 0.000 1.178 203 I CA 0.825 62.113 61.300 -0.021 0.000 1.460 203 I CB 0.185 38.145 38.000 -0.067 0.000 1.137 203 I HN 0.383 nan 8.210 nan 0.000 0.443 204 G N 1.609 110.402 108.800 -0.011 0.000 2.176 204 G HA2 -0.189 3.770 3.960 -0.000 0.000 0.232 204 G HA3 -0.189 3.770 3.960 -0.000 0.000 0.232 204 G C 0.238 175.139 174.900 0.001 0.000 0.986 204 G CA 0.089 45.194 45.100 0.008 0.000 0.643 204 G HN 0.400 nan 8.290 nan 0.000 0.522 205 V N -3.125 116.781 119.914 -0.014 0.000 3.078 205 V HA 0.960 5.080 4.120 -0.000 0.000 0.311 205 V C -2.629 173.449 176.094 -0.026 0.000 1.138 205 V CA -2.344 59.947 62.300 -0.015 0.000 1.007 205 V CB 2.364 34.180 31.823 -0.012 0.000 1.045 205 V HN 0.074 nan 8.190 nan 0.000 0.432 206 P HA 0.199 nan 4.420 nan 0.000 0.274 206 P C 0.180 177.493 177.300 0.020 0.000 1.246 206 P CA -0.047 63.053 63.100 -0.000 0.000 0.795 206 P CB 0.497 32.201 31.700 0.006 0.000 1.006 207 Y N 1.574 121.820 120.300 -0.090 0.000 2.132 207 Y HA -0.316 4.234 4.550 -0.000 0.000 0.280 207 Y C 1.952 177.818 175.900 -0.056 0.000 1.193 207 Y CA 2.241 60.289 58.100 -0.086 0.000 1.157 207 Y CB -0.720 37.682 38.460 -0.097 0.000 0.966 207 Y HN 0.337 nan 8.280 nan 0.000 0.511 208 E N -0.089 120.090 120.200 -0.036 0.000 2.267 208 E HA -0.173 4.177 4.350 -0.000 0.000 0.197 208 E C 1.189 177.708 176.600 -0.134 0.000 0.998 208 E CA 1.565 57.902 56.400 -0.104 0.000 0.830 208 E CB -0.270 29.417 29.700 -0.022 0.000 0.751 208 E HN 0.527 nan 8.360 nan 0.000 0.491 209 D N -0.837 119.499 120.400 -0.108 0.000 2.342 209 D HA 0.114 4.753 4.640 -0.000 0.000 0.221 209 D C 0.509 176.749 176.300 -0.100 0.000 1.101 209 D CA 0.152 54.100 54.000 -0.086 0.000 0.837 209 D CB 0.043 40.813 40.800 -0.050 0.000 0.938 209 D HN 0.298 nan 8.370 nan 0.000 0.508 210 M N -2.044 117.461 119.600 -0.158 0.000 2.691 210 M HA 0.750 5.230 4.480 -0.000 0.000 0.293 210 M C -0.553 175.642 176.300 -0.175 0.000 1.259 210 M CA -1.064 54.158 55.300 -0.130 0.000 0.827 210 M CB 2.574 35.120 32.600 -0.091 0.000 1.753 210 M HN -0.199 nan 8.290 nan 0.000 0.465 211 G N 0.761 109.518 108.800 -0.072 0.000 2.683 211 G HA2 0.635 4.595 3.960 -0.000 0.000 0.299 211 G HA3 0.635 4.595 3.960 -0.000 0.000 0.299 211 G C -1.504 173.489 174.900 0.155 0.000 1.432 211 G CA -0.484 44.601 45.100 -0.024 0.000 0.978 211 G HN 0.906 nan 8.290 nan 0.000 0.513 212 c N 2.119 120.836 118.600 0.195 0.000 2.341 212 c HA 0.938 5.508 4.570 -0.000 0.000 0.338 212 c C 0.148 174.534 174.090 0.494 0.000 1.257 212 c CA -0.556 56.002 56.329 0.381 0.000 1.883 212 c CB -0.048 42.674 42.510 0.353 0.000 2.334 212 c HN 1.029 nan 8.230 nan 0.000 0.524 213 H N -0.877 118.439 119.070 0.410 0.000 2.960 213 H HA 0.724 5.280 4.556 -0.000 0.000 0.323 213 H C -1.071 174.598 175.328 0.568 0.000 1.326 213 H CA -0.627 55.670 56.048 0.415 0.000 1.124 213 H CB 0.726 30.665 29.762 0.295 0.000 1.853 213 H HN 0.434 nan 8.280 nan 0.000 0.536 214 S N -0.083 115.981 115.700 0.607 0.000 2.578 214 S HA 0.713 5.183 4.470 -0.000 0.000 0.301 214 S C -0.166 174.716 174.600 0.471 0.000 1.091 214 S CA -0.419 58.122 58.200 0.568 0.000 1.032 214 S CB 1.583 65.135 63.200 0.586 0.000 1.064 214 S HN 0.880 nan 8.310 nan 0.000 0.508 215 A N 1.392 124.314 122.820 0.169 0.000 2.371 215 A HA 0.698 5.018 4.320 -0.000 0.000 0.257 215 A C 0.129 177.685 177.584 -0.047 0.000 1.089 215 A CA -0.423 51.444 52.037 -0.282 0.000 0.794 215 A CB 0.020 18.695 19.000 -0.541 0.000 1.029 215 A HN 1.030 nan 8.150 nan 0.000 0.488 216 A N 3.574 126.374 122.820 -0.032 0.000 2.342 216 A HA 0.827 5.146 4.320 -0.000 0.000 0.323 216 A C -2.676 174.884 177.584 -0.039 0.000 1.125 216 A CA -1.788 50.300 52.037 0.085 0.000 0.785 216 A CB 1.069 20.321 19.000 0.420 0.000 1.221 216 A HN 0.649 nan 8.150 nan 0.000 0.463 217 P HA 0.266 nan 4.420 nan 0.000 0.279 217 P C -0.586 176.675 177.300 -0.065 0.000 1.276 217 P CA -0.355 62.725 63.100 -0.033 0.000 0.801 217 P CB 0.631 32.280 31.700 -0.086 0.000 1.127 218 Q N -0.426 119.324 119.800 -0.085 0.000 2.535 218 Q HA 0.326 4.665 4.340 -0.000 0.000 0.228 218 Q C -0.404 175.528 176.000 -0.113 0.000 1.062 218 Q CA -0.140 55.584 55.803 -0.131 0.000 0.967 218 Q CB 0.124 28.769 28.738 -0.155 0.000 1.273 218 Q HN 0.353 nan 8.270 nan 0.000 0.554 219 L N 1.742 122.887 121.223 -0.130 0.000 2.366 219 L HA 0.311 4.651 4.340 -0.000 0.000 0.266 219 L C -0.811 176.042 176.870 -0.029 0.000 1.010 219 L CA -0.580 54.215 54.840 -0.075 0.000 0.879 219 L CB 0.693 42.695 42.059 -0.096 0.000 1.228 219 L HN 0.577 nan 8.230 nan 0.000 0.439 220 H N 2.133 121.166 119.070 -0.061 0.000 2.473 220 H HA 0.316 4.872 4.556 -0.000 0.000 0.327 220 H C -1.054 174.305 175.328 0.052 0.000 1.105 220 H CA -0.307 55.724 56.048 -0.028 0.000 1.280 220 H CB 1.404 31.152 29.762 -0.022 0.000 1.450 220 H HN 0.391 nan 8.280 nan 0.000 0.492 221 D N 5.491 125.536 120.400 -0.592 0.000 2.441 221 D HA 0.197 4.837 4.640 -0.000 0.000 0.231 221 D C -1.977 173.977 176.300 -0.577 0.000 1.073 221 D CA -2.418 51.344 54.000 -0.396 0.000 0.850 221 D CB 1.886 42.544 40.800 -0.237 0.000 1.062 221 D HN 0.404 nan 8.370 nan 0.000 0.524 222 P HA -0.050 nan 4.420 nan 0.000 0.220 222 P C 0.881 178.091 177.300 -0.150 0.000 1.148 222 P CA 0.840 63.823 63.100 -0.194 0.000 0.803 222 P CB 0.387 32.020 31.700 -0.111 0.000 0.782 223 A N -0.363 122.353 122.820 -0.174 0.000 1.872 223 A HA -0.120 4.200 4.320 -0.000 0.000 0.214 223 A C 2.183 179.712 177.584 -0.091 0.000 1.187 223 A CA 2.329 54.295 52.037 -0.118 0.000 0.614 223 A CB -1.684 17.244 19.000 -0.120 0.000 0.826 223 A HN 0.328 nan 8.150 nan 0.000 0.442 224 T N -5.180 109.307 114.554 -0.112 0.000 3.037 224 T HA 0.406 4.756 4.350 -0.000 0.000 0.251 224 T C 1.498 176.164 174.700 -0.057 0.000 1.079 224 T CA 1.141 63.196 62.100 -0.074 0.000 1.067 224 T CB 0.294 69.118 68.868 -0.074 0.000 0.948 224 T HN 1.696 nan 8.240 nan 0.000 0.496 225 G N 1.500 110.239 108.800 -0.102 0.000 2.179 225 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.260 225 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.260 225 G C 0.340 175.264 174.900 0.040 0.000 0.977 225 G CA -0.006 45.099 45.100 0.009 0.000 0.641 225 G HN 1.208 nan 8.290 nan 0.000 0.533 226 A N -0.062 122.714 122.820 -0.073 0.000 2.371 226 A HA 0.702 5.022 4.320 -0.000 0.000 0.257 226 A C 0.455 178.030 177.584 -0.015 0.000 1.089 226 A CA 1.109 53.127 52.037 -0.032 0.000 0.794 226 A CB 0.606 19.565 19.000 -0.068 0.000 1.029 226 A HN 0.768 nan 8.150 nan 0.000 0.488 227 T N 1.829 116.381 114.554 -0.004 0.000 2.815 227 T HA 0.537 4.886 4.350 -0.000 0.000 0.289 227 T C -0.105 174.448 174.700 -0.244 0.000 1.000 227 T CA -0.227 61.843 62.100 -0.049 0.000 0.958 227 T CB 0.799 69.652 68.868 -0.025 0.000 0.944 227 T HN 1.182 nan 8.240 nan 0.000 0.442 228 V N 0.215 119.952 119.914 -0.295 0.000 3.113 228 V HA 0.991 5.111 4.120 -0.000 0.000 0.316 228 V C -1.243 174.494 176.094 -0.594 0.000 1.125 228 V CA -0.892 61.126 62.300 -0.470 0.000 1.026 228 V CB 2.407 33.986 31.823 -0.407 0.000 1.080 228 V HN 0.700 nan 8.190 nan 0.000 0.444 229 D N -0.982 118.877 120.400 -0.901 0.000 2.803 229 D HA 0.468 5.108 4.640 -0.000 0.000 0.218 229 D C -1.784 174.044 176.300 -0.787 0.000 1.245 229 D CA -0.234 53.284 54.000 -0.804 0.000 0.821 229 D CB 2.009 42.247 40.800 -0.936 0.000 1.626 229 D HN 0.592 nan 8.370 nan 0.000 0.487 230 Y N 0.405 120.491 120.300 -0.355 0.000 2.519 230 Y HA 0.754 5.303 4.550 -0.000 0.000 0.324 230 Y C 1.270 177.141 175.900 -0.047 0.000 1.214 230 Y CA 0.147 58.132 58.100 -0.192 0.000 1.260 230 Y CB 2.140 40.467 38.460 -0.222 0.000 1.311 230 Y HN 0.421 nan 8.280 nan 0.000 0.505 231 G N -0.555 108.188 108.800 -0.095 0.000 2.608 231 G HA2 0.521 4.480 3.960 -0.000 0.000 0.291 231 G HA3 0.521 4.480 3.960 -0.000 0.000 0.291 231 G C -1.461 173.007 174.900 -0.720 0.000 1.425 231 G CA -0.545 44.348 45.100 -0.345 0.000 0.787 231 G HN 0.604 nan 8.290 nan 0.000 0.484 232 T N -2.153 112.041 114.554 -0.601 0.000 2.671 232 T HA 0.586 4.936 4.350 -0.000 0.000 0.300 232 T C -1.455 173.164 174.700 -0.135 0.000 1.238 232 T CA -0.257 61.589 62.100 -0.424 0.000 1.020 232 T CB 1.192 69.707 68.868 -0.588 0.000 1.503 232 T HN 0.953 nan 8.240 nan 0.000 0.497 233 c N 1.935 120.533 118.600 -0.004 0.000 2.626 233 c HA 0.848 5.418 4.570 -0.000 0.000 0.310 233 c C -0.666 173.464 174.090 0.067 0.000 1.191 233 c CA -0.860 55.553 56.329 0.140 0.000 1.517 233 c CB 0.916 43.545 42.510 0.198 0.000 2.102 233 c HN 0.943 nan 8.230 nan 0.000 0.479 234 N N 0.988 119.751 118.700 0.106 0.000 2.229 234 N HA 0.589 5.329 4.740 -0.000 0.000 0.298 234 N C -0.935 174.586 175.510 0.018 0.000 1.114 234 N CA -0.685 52.401 53.050 0.060 0.000 0.776 234 N CB 0.758 39.278 38.487 0.055 0.000 1.501 234 N HN 0.421 nan 8.380 nan 0.000 0.474 235 I N 1.528 122.105 120.570 0.011 0.000 2.648 235 I HA 0.045 4.214 4.170 -0.000 0.000 0.284 235 I C 0.276 176.362 176.117 -0.051 0.000 1.153 235 I CA -0.139 61.153 61.300 -0.014 0.000 1.426 235 I CB -0.304 37.702 38.000 0.010 0.000 1.381 235 I HN 0.407 nan 8.210 nan 0.000 0.571 236 N N 4.477 123.138 118.700 -0.065 0.000 2.513 236 N HA 0.219 4.959 4.740 -0.000 0.000 0.268 236 N C 0.260 175.716 175.510 -0.091 0.000 1.180 236 N CA 0.003 53.004 53.050 -0.082 0.000 0.948 236 N CB 0.864 39.302 38.487 -0.082 0.000 1.083 236 N HN 0.714 nan 8.380 nan 0.000 0.455 237 T N -2.770 111.717 114.554 -0.112 0.000 2.901 237 T HA 0.381 4.730 4.350 -0.000 0.000 0.293 237 T C 0.543 175.176 174.700 -0.113 0.000 1.084 237 T CA -0.808 61.216 62.100 -0.128 0.000 1.008 237 T CB 1.568 70.324 68.868 -0.187 0.000 1.170 237 T HN 0.529 nan 8.240 nan 0.000 0.509 238 E N 0.565 120.702 120.200 -0.106 0.000 2.474 238 E HA 0.074 4.424 4.350 -0.000 0.000 0.195 238 E C 0.451 176.996 176.600 -0.091 0.000 1.039 238 E CA -0.255 56.092 56.400 -0.088 0.000 0.881 238 E CB -0.112 29.543 29.700 -0.075 0.000 0.970 238 E HN 0.669 nan 8.360 nan 0.000 0.486 239 N N 1.127 119.759 118.700 -0.112 0.000 2.291 239 N HA 0.020 4.760 4.740 -0.000 0.000 0.244 239 N C -0.354 175.092 175.510 -0.106 0.000 1.216 239 N CA 0.152 53.148 53.050 -0.091 0.000 0.879 239 N CB 0.386 38.826 38.487 -0.078 0.000 1.167 239 N HN -0.030 nan 8.380 nan 0.000 0.515 240 D N -0.650 119.661 120.400 -0.148 0.000 2.981 240 D HA -0.185 4.455 4.640 -0.000 0.000 0.223 240 D C -0.039 175.980 176.300 -0.468 0.000 1.151 240 D CA 1.015 54.909 54.000 -0.178 0.000 0.827 240 D CB -1.256 39.525 40.800 -0.031 0.000 1.101 240 D HN 0.569 nan 8.370 nan 0.000 0.426 241 A N -0.183 122.295 122.820 -0.570 0.000 2.610 241 A HA 0.385 4.705 4.320 -0.000 0.000 0.286 241 A C 1.545 178.816 177.584 -0.522 0.000 1.306 241 A CA 0.079 51.557 52.037 -0.931 0.000 0.942 241 A CB 0.212 18.738 19.000 -0.789 0.000 1.112 241 A HN 0.187 nan 8.150 nan 0.000 0.527 242 E N 0.459 120.452 120.200 -0.344 0.000 2.171 242 E HA -0.197 4.153 4.350 -0.000 0.000 0.197 242 E C 1.440 177.956 176.600 -0.139 0.000 0.997 242 E CA 1.576 57.855 56.400 -0.201 0.000 0.810 242 E CB -0.395 29.206 29.700 -0.165 0.000 0.738 242 E HN 0.773 nan 8.360 nan 0.000 0.467 243 N N -0.329 118.275 118.700 -0.160 0.000 2.453 243 N HA -0.066 4.674 4.740 -0.000 0.000 0.183 243 N C 0.939 176.462 175.510 0.022 0.000 1.041 243 N CA 0.250 53.280 53.050 -0.034 0.000 0.900 243 N CB 0.065 38.559 38.487 0.012 0.000 0.961 243 N HN 0.159 nan 8.380 nan 0.000 0.443 244 L N 0.556 121.747 121.223 -0.053 0.000 2.558 244 L HA 0.085 4.425 4.340 -0.000 0.000 0.225 244 L C 0.492 177.458 176.870 0.160 0.000 1.128 244 L CA 0.249 55.128 54.840 0.065 0.000 0.868 244 L CB 0.374 42.387 42.059 -0.078 0.000 1.006 244 L HN 0.045 nan 8.230 nan 0.000 0.454 245 V N -2.622 117.338 119.914 0.077 0.000 2.572 245 V HA 0.391 4.511 4.120 -0.000 0.000 0.274 245 V C -2.665 173.511 176.094 0.137 0.000 1.075 245 V CA -1.726 60.659 62.300 0.142 0.000 1.237 245 V CB -0.106 31.762 31.823 0.075 0.000 1.517 245 V HN -0.073 nan 8.190 nan 0.000 0.616 246 P HA 0.233 nan 4.420 nan 0.000 0.276 246 P C 1.010 178.441 177.300 0.219 0.000 1.230 246 P CA 0.376 63.564 63.100 0.147 0.000 0.776 246 P CB 1.690 33.495 31.700 0.176 0.000 0.888 247 T N -1.749 112.863 114.554 0.096 0.000 3.081 247 T HA 0.211 4.560 4.350 -0.000 0.000 0.255 247 T C 1.367 175.975 174.700 -0.154 0.000 1.113 247 T CA 0.704 62.851 62.100 0.077 0.000 1.082 247 T CB -0.874 68.019 68.868 0.042 0.000 0.939 247 T HN 0.645 nan 8.240 nan 0.000 0.506 248 G N 1.006 109.626 108.800 -0.300 0.000 2.159 248 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.256 248 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.256 248 G C -0.196 174.288 174.900 -0.694 0.000 0.977 248 G CA 0.055 44.810 45.100 -0.574 0.000 0.652 248 G HN 0.663 nan 8.290 nan 0.000 0.531 249 F N 1.132 120.674 119.950 -0.680 0.000 2.410 249 F HA 0.748 5.275 4.527 -0.000 0.000 0.349 249 F C -0.082 175.388 175.800 -0.550 0.000 1.117 249 F CA -1.365 56.447 58.000 -0.314 0.000 1.104 249 F CB 0.505 39.483 39.000 -0.037 0.000 1.122 249 F HN -0.021 nan 8.300 nan 0.000 0.483 250 F N 5.732 125.487 119.950 -0.325 0.000 2.611 250 F HA 0.717 5.243 4.527 -0.000 0.000 0.324 250 F C -0.829 174.906 175.800 -0.108 0.000 1.061 250 F CA -1.021 56.861 58.000 -0.197 0.000 0.954 250 F CB 1.805 40.769 39.000 -0.061 0.000 1.301 250 F HN 0.378 nan 8.300 nan 0.000 0.482 251 F N -0.809 119.331 119.950 0.317 0.000 2.741 251 F HA 0.709 5.235 4.527 -0.000 0.000 0.313 251 F C -1.602 174.306 175.800 0.180 0.000 1.153 251 F CA -1.329 56.787 58.000 0.193 0.000 0.931 251 F CB 1.899 41.037 39.000 0.230 0.000 1.335 251 F HN 0.380 nan 8.300 nan 0.000 0.460 252 K N 1.568 122.110 120.400 0.236 0.000 2.513 252 K HA 0.645 4.965 4.320 -0.000 0.000 0.251 252 K C -2.151 174.499 176.600 0.084 0.000 0.939 252 K CA -0.630 55.566 56.287 -0.152 0.000 0.793 252 K CB 2.342 34.525 32.500 -0.528 0.000 1.241 252 K HN 0.767 nan 8.250 nan 0.000 0.431 253 F N 0.104 120.002 119.950 -0.086 0.000 2.603 253 F HA 0.496 5.022 4.527 -0.000 0.000 0.317 253 F C -0.813 174.879 175.800 -0.179 0.000 1.066 253 F CA -1.098 56.887 58.000 -0.024 0.000 0.941 253 F CB 1.363 40.493 39.000 0.216 0.000 1.291 253 F HN 0.279 nan 8.300 nan 0.000 0.472 254 D N 3.609 123.995 120.400 -0.024 0.000 2.280 254 D HA 0.316 4.955 4.640 -0.000 0.000 0.236 254 D C -0.363 175.728 176.300 -0.349 0.000 1.082 254 D CA -0.444 53.439 54.000 -0.195 0.000 0.834 254 D CB 1.563 42.315 40.800 -0.079 0.000 1.100 254 D HN 0.837 nan 8.370 nan 0.000 0.486 255 M N 1.229 120.431 119.600 -0.663 0.000 2.876 255 M HA 0.269 4.749 4.480 -0.000 0.000 0.367 255 M C -0.407 175.324 176.300 -0.948 0.000 1.242 255 M CA -0.733 53.622 55.300 -1.575 0.000 0.889 255 M CB 0.596 32.217 32.600 -1.633 0.000 1.353 255 M HN -0.132 nan 8.290 nan 0.000 0.511 256 T N 2.204 116.552 114.554 -0.342 0.000 2.888 256 T HA 0.555 4.905 4.350 -0.000 0.000 0.301 256 T C 0.816 175.681 174.700 0.276 0.000 1.001 256 T CA 0.993 63.097 62.100 0.006 0.000 1.147 256 T CB 0.751 69.651 68.868 0.055 0.000 0.931 256 T HN 0.868 nan 8.240 nan 0.000 0.541 257 G N 2.707 111.704 108.800 0.329 0.000 2.795 257 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.664 257 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.664 257 G C 0.274 175.331 174.900 0.262 0.000 1.381 257 G CA -0.661 44.602 45.100 0.271 0.000 0.853 257 G HN 0.698 nan 8.290 nan 0.000 0.545 258 R N -0.272 120.130 120.500 -0.164 0.000 2.310 258 R HA 0.105 4.445 4.340 -0.000 0.000 0.202 258 R C 0.282 176.655 176.300 0.122 0.000 0.933 258 R CA 0.442 56.317 56.100 -0.375 0.000 1.054 258 R CB 0.264 30.036 30.300 -0.881 0.000 0.985 258 R HN 0.465 nan 8.270 nan 0.000 0.489 259 D N 1.091 121.593 120.400 0.171 0.000 2.428 259 D HA 0.008 4.648 4.640 -0.000 0.000 0.221 259 D C 1.343 177.555 176.300 -0.146 0.000 1.123 259 D CA -0.373 53.704 54.000 0.128 0.000 0.869 259 D CB 1.560 42.447 40.800 0.146 0.000 1.032 259 D HN -0.063 nan 8.370 nan 0.000 0.506 260 V N 2.220 121.897 119.914 -0.395 0.000 2.913 260 V HA -0.139 3.981 4.120 -0.000 0.000 0.260 260 V C 1.840 177.742 176.094 -0.320 0.000 1.098 260 V CA 1.747 63.496 62.300 -0.917 0.000 1.121 260 V CB -1.029 30.255 31.823 -0.898 0.000 0.714 260 V HN 0.514 nan 8.190 nan 0.000 0.487 261 S N -0.270 115.369 115.700 -0.102 0.000 2.474 261 S HA -0.148 4.322 4.470 -0.000 0.000 0.235 261 S C 1.801 176.462 174.600 0.101 0.000 0.997 261 S CA 1.070 59.285 58.200 0.025 0.000 0.949 261 S CB -0.459 62.755 63.200 0.023 0.000 0.766 261 S HN 0.668 nan 8.310 nan 0.000 0.517 262 Q N -0.376 119.495 119.800 0.118 0.000 2.392 262 Q HA 0.190 4.530 4.340 -0.000 0.000 0.203 262 Q C -0.371 175.842 176.000 0.355 0.000 0.917 262 Q CA 0.009 55.938 55.803 0.209 0.000 0.939 262 Q CB -0.138 28.721 28.738 0.201 0.000 1.063 262 Q HN 0.631 nan 8.270 nan 0.000 0.516 263 W N 2.232 123.580 121.300 0.081 0.000 2.158 263 W HA 0.239 4.899 4.660 -0.000 0.000 0.339 263 W C 0.287 176.905 176.519 0.165 0.000 1.294 263 W CA -0.360 56.967 57.345 -0.030 0.000 1.231 263 W CB 0.219 29.444 29.460 -0.392 0.000 1.143 263 W HN -0.189 nan 8.180 nan 0.000 0.571 264 K N 1.818 122.446 120.400 0.380 0.000 2.523 264 K HA 0.370 4.690 4.320 -0.000 0.000 0.257 264 K C -0.900 175.995 176.600 0.491 0.000 0.932 264 K CA -1.334 55.228 56.287 0.459 0.000 0.812 264 K CB 2.207 34.862 32.500 0.257 0.000 1.326 264 K HN 0.174 nan 8.250 nan 0.000 0.433 265 M N 3.212 123.085 119.600 0.455 0.000 2.219 265 M HA 0.168 4.648 4.480 -0.000 0.000 0.353 265 M C -0.241 176.127 176.300 0.113 0.000 1.304 265 M CA 0.243 55.701 55.300 0.263 0.000 1.115 265 M CB 0.267 32.886 32.600 0.033 0.000 1.664 265 M HN 0.763 nan 8.290 nan 0.000 0.459 266 L N 2.178 123.436 121.223 0.058 0.000 2.286 266 L HA 0.306 4.645 4.340 -0.000 0.000 0.203 266 L C 0.111 176.965 176.870 -0.026 0.000 1.068 266 L CA 0.424 55.268 54.840 0.008 0.000 0.811 266 L CB 0.009 42.049 42.059 -0.033 0.000 0.989 266 L HN 0.643 nan 8.230 nan 0.000 0.467 267 E N -1.569 118.578 120.200 -0.088 0.000 2.372 267 E HA 0.398 4.748 4.350 -0.000 0.000 0.279 267 E C -1.794 174.720 176.600 -0.144 0.000 0.946 267 E CA -0.613 55.765 56.400 -0.038 0.000 0.769 267 E CB 2.186 31.914 29.700 0.046 0.000 1.230 267 E HN -0.098 nan 8.360 nan 0.000 0.442 268 Y N 0.994 121.461 120.300 0.278 0.000 2.377 268 Y HA 0.562 5.112 4.550 -0.000 0.000 0.339 268 Y C -0.093 175.973 175.900 0.277 0.000 1.011 268 Y CA -0.812 57.433 58.100 0.241 0.000 1.093 268 Y CB 1.432 40.048 38.460 0.260 0.000 1.201 268 Y HN 0.283 nan 8.280 nan 0.000 0.455 269 I N 3.767 124.518 120.570 0.302 0.000 2.499 269 I HA 0.315 4.485 4.170 -0.000 0.000 0.288 269 I C -1.545 174.800 176.117 0.381 0.000 1.048 269 I CA -0.854 60.651 61.300 0.343 0.000 1.062 269 I CB 1.882 40.045 38.000 0.272 0.000 1.238 269 I HN 0.536 nan 8.210 nan 0.000 0.426 270 Y N 6.369 126.854 120.300 0.309 0.000 2.442 270 Y HA 0.248 4.797 4.550 -0.000 0.000 0.330 270 Y C 0.438 176.484 175.900 0.242 0.000 1.100 270 Y CA -0.966 57.297 58.100 0.272 0.000 1.034 270 Y CB 1.495 40.144 38.460 0.315 0.000 1.285 270 Y HN 0.738 nan 8.280 nan 0.000 0.440 271 N N 4.664 123.055 118.700 -0.515 0.000 2.727 271 N HA -0.343 4.396 4.740 -0.000 0.000 0.249 271 N C -0.349 175.107 175.510 -0.091 0.000 1.048 271 N CA 1.348 54.185 53.050 -0.355 0.000 0.714 271 N CB -0.824 37.420 38.487 -0.406 0.000 0.959 271 N HN 1.049 nan 8.380 nan 0.000 0.544 272 N N -1.769 116.916 118.700 -0.024 0.000 2.828 272 N HA -0.197 4.542 4.740 -0.000 0.000 0.248 272 N C -1.243 174.266 175.510 -0.002 0.000 1.044 272 N CA 1.527 54.564 53.050 -0.020 0.000 0.851 272 N CB -0.408 38.047 38.487 -0.054 0.000 1.136 272 N HN 0.550 nan 8.380 nan 0.000 0.572 273 K N 0.441 120.872 120.400 0.051 0.000 2.203 273 K HA 0.667 4.987 4.320 -0.000 0.000 0.251 273 K C -0.587 175.963 176.600 -0.082 0.000 0.944 273 K CA -0.779 55.483 56.287 -0.042 0.000 0.829 273 K CB 2.602 35.079 32.500 -0.039 0.000 1.125 273 K HN -0.179 nan 8.250 nan 0.000 0.430 274 V N 2.991 122.758 119.914 -0.245 0.000 2.459 274 V HA 0.363 4.483 4.120 -0.000 0.000 0.295 274 V C -1.178 174.709 176.094 -0.346 0.000 1.029 274 V CA -0.818 61.401 62.300 -0.135 0.000 0.874 274 V CB 0.577 32.380 31.823 -0.033 0.000 0.985 274 V HN 0.586 nan 8.190 nan 0.000 0.438 275 Y N 1.443 121.861 120.300 0.197 0.000 2.409 275 Y HA 0.416 4.966 4.550 -0.000 0.000 0.343 275 Y C 1.309 177.324 175.900 0.191 0.000 0.973 275 Y CA -0.754 57.473 58.100 0.212 0.000 1.064 275 Y CB 2.210 40.838 38.460 0.280 0.000 1.207 275 Y HN 0.705 nan 8.280 nan 0.000 0.452 276 T N -2.764 111.954 114.554 0.273 0.000 3.107 276 T HA 0.233 4.583 4.350 -0.000 0.000 0.249 276 T C 0.249 175.073 174.700 0.207 0.000 1.096 276 T CA 0.402 62.613 62.100 0.185 0.000 1.012 276 T CB -0.224 68.717 68.868 0.121 0.000 0.977 276 T HN 0.532 nan 8.240 nan 0.000 0.527 277 S N -1.047 114.833 115.700 0.300 0.000 2.588 277 S HA 0.749 5.219 4.470 -0.000 0.000 0.269 277 S C 1.072 175.899 174.600 0.378 0.000 1.157 277 S CA -0.466 57.918 58.200 0.307 0.000 0.824 277 S CB 1.139 64.456 63.200 0.195 0.000 1.126 277 S HN 0.184 nan 8.310 nan 0.000 0.464 278 A N 1.088 124.112 122.820 0.341 0.000 1.908 278 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 278 A C 1.819 179.443 177.584 0.066 0.000 1.181 278 A CA 2.177 54.276 52.037 0.103 0.000 0.627 278 A CB -1.300 17.706 19.000 0.010 0.000 0.818 278 A HN 0.886 nan 8.150 nan 0.000 0.445 279 E N -0.233 120.019 120.200 0.087 0.000 2.058 279 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 279 E C 1.966 178.647 176.600 0.135 0.000 0.997 279 E CA 1.522 57.974 56.400 0.086 0.000 0.801 279 E CB -0.306 29.436 29.700 0.070 0.000 0.746 279 E HN 0.800 nan 8.360 nan 0.000 0.450 280 E N -0.068 120.228 120.200 0.161 0.000 2.058 280 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 280 E C 1.985 178.673 176.600 0.147 0.000 0.997 280 E CA 0.945 57.465 56.400 0.200 0.000 0.801 280 E CB -0.088 29.782 29.700 0.284 0.000 0.746 280 E HN 0.162 nan 8.360 nan 0.000 0.450 281 L N 0.490 121.730 121.223 0.028 0.000 2.046 281 L HA -0.181 4.158 4.340 -0.000 0.000 0.208 281 L C 2.224 178.909 176.870 -0.308 0.000 1.077 281 L CA 1.933 56.541 54.840 -0.388 0.000 0.747 281 L CB -1.084 40.721 42.059 -0.424 0.000 0.896 281 L HN 0.279 nan 8.230 nan 0.000 0.432 282 Y N 0.665 120.813 120.300 -0.253 0.000 2.128 282 Y HA -0.285 4.265 4.550 -0.000 0.000 0.284 282 Y C 2.385 178.160 175.900 -0.209 0.000 1.154 282 Y CA 2.329 60.281 58.100 -0.247 0.000 1.149 282 Y CB -0.132 38.222 38.460 -0.177 0.000 0.976 282 Y HN 0.404 nan 8.280 nan 0.000 0.505 283 E N 0.046 120.208 120.200 -0.063 0.000 2.077 283 E HA -0.212 4.137 4.350 -0.000 0.000 0.193 283 E C 2.394 178.894 176.600 -0.167 0.000 0.989 283 E CA 0.941 57.284 56.400 -0.095 0.000 0.800 283 E CB -0.378 29.356 29.700 0.056 0.000 0.746 283 E HN 0.595 nan 8.360 nan 0.000 0.452 284 A N 1.157 123.907 122.820 -0.116 0.000 1.940 284 A HA -0.191 4.128 4.320 -0.000 0.000 0.219 284 A C 2.128 179.537 177.584 -0.292 0.000 1.176 284 A CA 1.434 53.451 52.037 -0.033 0.000 0.631 284 A CB -0.487 18.640 19.000 0.212 0.000 0.814 284 A HN 0.159 nan 8.150 nan 0.000 0.446 285 M N -0.606 118.548 119.600 -0.743 0.000 2.460 285 M HA -0.115 4.364 4.480 -0.000 0.000 0.263 285 M C 1.697 177.669 176.300 -0.546 0.000 1.071 285 M CA 0.773 55.419 55.300 -1.090 0.000 1.096 285 M CB -0.084 31.878 32.600 -1.063 0.000 1.408 285 M HN 0.342 nan 8.290 nan 0.000 0.463 286 Q N 0.433 119.971 119.800 -0.437 0.000 2.389 286 Q HA 0.103 4.442 4.340 -0.000 0.000 0.204 286 Q C 0.275 176.201 176.000 -0.123 0.000 0.944 286 Q CA 0.650 56.279 55.803 -0.291 0.000 0.908 286 Q CB -0.064 28.488 28.738 -0.309 0.000 1.002 286 Q HN 0.341 nan 8.270 nan 0.000 0.493 287 K N 1.532 121.895 120.400 -0.062 0.000 2.237 287 K HA 0.034 4.354 4.320 -0.000 0.000 0.270 287 K C 0.446 177.086 176.600 0.067 0.000 1.015 287 K CA -0.135 56.166 56.287 0.024 0.000 0.949 287 K CB 0.600 33.143 32.500 0.072 0.000 0.976 287 K HN -0.126 nan 8.250 nan 0.000 0.472 288 D N 1.198 121.631 120.400 0.056 0.000 2.218 288 D HA -0.153 4.487 4.640 -0.000 0.000 0.204 288 D C 0.953 177.305 176.300 0.087 0.000 0.976 288 D CA 1.259 55.295 54.000 0.061 0.000 0.853 288 D CB 0.089 40.914 40.800 0.042 0.000 0.939 288 D HN 0.577 nan 8.370 nan 0.000 0.481 289 D N -0.728 119.734 120.400 0.103 0.000 2.328 289 D HA -0.102 4.537 4.640 -0.000 0.000 0.221 289 D C 0.227 176.601 176.300 0.124 0.000 1.072 289 D CA -0.502 53.555 54.000 0.094 0.000 0.850 289 D CB -0.902 39.943 40.800 0.075 0.000 0.922 289 D HN 0.094 nan 8.370 nan 0.000 0.516 290 F N 1.483 121.458 119.950 0.041 0.000 2.504 290 F HA 0.222 4.749 4.527 -0.000 0.000 0.369 290 F C -0.096 175.750 175.800 0.078 0.000 1.082 290 F CA -0.472 57.565 58.000 0.062 0.000 1.216 290 F CB 0.884 39.903 39.000 0.031 0.000 1.108 290 F HN -0.288 nan 8.300 nan 0.000 0.554 291 V N 6.020 125.580 119.914 -0.590 0.000 2.364 291 V HA 0.233 4.352 4.120 -0.000 0.000 0.272 291 V C 0.006 175.922 176.094 -0.296 0.000 1.036 291 V CA -0.459 61.655 62.300 -0.311 0.000 0.880 291 V CB 1.202 32.895 31.823 -0.216 0.000 0.991 291 V HN 0.806 nan 8.190 nan 0.000 0.460 292 T N 7.001 121.599 114.554 0.072 0.000 2.767 292 T HA 0.569 4.919 4.350 -0.000 0.000 0.284 292 T C -0.005 174.820 174.700 0.208 0.000 0.973 292 T CA -0.296 61.971 62.100 0.279 0.000 0.996 292 T CB 0.812 69.856 68.868 0.294 0.000 0.927 292 T HN 0.326 nan 8.240 nan 0.000 0.456 293 L N 4.372 125.746 121.223 0.251 0.000 2.436 293 L HA 0.337 4.677 4.340 -0.000 0.000 0.265 293 L C -1.806 175.213 176.870 0.248 0.000 1.168 293 L CA -2.158 52.793 54.840 0.184 0.000 0.815 293 L CB -0.160 41.956 42.059 0.095 0.000 1.109 293 L HN 0.359 nan 8.230 nan 0.000 0.462 294 P HA 0.001 nan 4.420 nan 0.000 0.263 294 P C -1.072 176.408 177.300 0.300 0.000 1.175 294 P CA 0.323 63.563 63.100 0.234 0.000 0.761 294 P CB 0.311 32.131 31.700 0.200 0.000 0.794 295 K N 2.476 123.009 120.400 0.222 0.000 2.087 295 K HA 0.410 4.730 4.320 -0.000 0.000 0.255 295 K C 0.347 177.078 176.600 0.217 0.000 0.988 295 K CA -0.868 55.552 56.287 0.221 0.000 0.915 295 K CB 0.789 33.379 32.500 0.150 0.000 1.043 295 K HN 0.365 nan 8.250 nan 0.000 0.457 296 I N 1.709 122.419 120.570 0.233 0.000 2.618 296 I HA -0.098 4.072 4.170 -0.000 0.000 0.284 296 I C 0.429 176.654 176.117 0.180 0.000 1.146 296 I CA 0.096 61.532 61.300 0.226 0.000 1.425 296 I CB 0.281 38.423 38.000 0.236 0.000 1.383 296 I HN 0.528 nan 8.210 nan 0.000 0.562 297 D N 6.553 127.067 120.400 0.190 0.000 2.402 297 D HA 0.056 4.696 4.640 -0.000 0.000 0.235 297 D C 0.926 177.333 176.300 0.177 0.000 1.226 297 D CA -0.282 53.815 54.000 0.162 0.000 0.918 297 D CB 0.985 41.876 40.800 0.153 0.000 1.043 297 D HN 0.353 nan 8.370 nan 0.000 0.506 298 V N 0.878 120.867 119.914 0.124 0.000 3.461 298 V HA 0.047 4.166 4.120 -0.000 0.000 0.267 298 V C 0.863 176.999 176.094 0.069 0.000 1.186 298 V CA 0.734 63.090 62.300 0.093 0.000 1.154 298 V CB -0.004 31.852 31.823 0.056 0.000 0.802 298 V HN 0.230 nan 8.190 nan 0.000 0.474 299 D N 0.916 121.364 120.400 0.080 0.000 2.350 299 D HA 0.093 4.733 4.640 -0.000 0.000 0.213 299 D C 0.211 176.559 176.300 0.079 0.000 1.031 299 D CA 0.431 54.468 54.000 0.061 0.000 0.861 299 D CB 0.060 40.892 40.800 0.054 0.000 0.926 299 D HN 0.522 nan 8.370 nan 0.000 0.520 300 N N 0.910 119.689 118.700 0.133 0.000 2.790 300 N HA 0.203 4.943 4.740 -0.000 0.000 0.256 300 N C 0.137 175.813 175.510 0.277 0.000 1.409 300 N CA -0.029 53.128 53.050 0.179 0.000 0.799 300 N CB 1.416 40.020 38.487 0.194 0.000 1.170 300 N HN 0.036 nan 8.380 nan 0.000 0.507 301 L N -0.061 121.215 121.223 0.090 0.000 2.818 301 L HA 0.231 4.570 4.340 -0.000 0.000 0.243 301 L C 0.883 177.567 176.870 -0.311 0.000 1.185 301 L CA -0.119 54.610 54.840 -0.185 0.000 0.988 301 L CB 0.336 42.247 42.059 -0.248 0.000 1.292 301 L HN 0.007 nan 8.230 nan 0.000 0.519 302 D N 1.006 121.384 120.400 -0.036 0.000 2.218 302 D HA -0.196 4.444 4.640 -0.000 0.000 0.204 302 D C 1.941 178.229 176.300 -0.019 0.000 0.976 302 D CA 0.993 54.980 54.000 -0.023 0.000 0.853 302 D CB -0.005 40.831 40.800 0.060 0.000 0.939 302 D HN 0.555 nan 8.370 nan 0.000 0.481 303 W N 1.640 122.930 121.300 -0.016 0.000 2.632 303 W HA -0.048 4.611 4.660 -0.000 0.000 0.248 303 W C 0.983 177.475 176.519 -0.044 0.000 1.259 303 W CA 1.377 58.701 57.345 -0.034 0.000 1.288 303 W CB -1.528 27.892 29.460 -0.066 0.000 1.136 303 W HN -0.007 nan 8.180 nan 0.000 0.640 304 T N -1.467 112.679 114.554 -0.680 0.000 3.086 304 T HA 0.226 4.575 4.350 -0.000 0.000 0.250 304 T C 0.502 175.116 174.700 -0.142 0.000 1.074 304 T CA -0.067 61.721 62.100 -0.521 0.000 0.988 304 T CB -0.387 68.011 68.868 -0.784 0.000 0.988 304 T HN -0.136 nan 8.240 nan 0.000 0.530 305 V N 2.262 122.103 119.914 -0.121 0.000 2.461 305 V HA 0.352 4.471 4.120 -0.000 0.000 0.275 305 V C 1.381 177.453 176.094 -0.037 0.000 1.047 305 V CA -0.519 61.747 62.300 -0.058 0.000 0.955 305 V CB 0.978 32.762 31.823 -0.065 0.000 0.988 305 V HN 0.362 nan 8.190 nan 0.000 0.471 306 I N 2.617 123.160 120.570 -0.044 0.000 2.339 306 I HA -0.045 4.124 4.170 -0.000 0.000 0.245 306 I C 1.624 177.698 176.117 -0.071 0.000 1.096 306 I CA 0.544 61.793 61.300 -0.085 0.000 1.408 306 I CB -0.097 37.821 38.000 -0.137 0.000 1.092 306 I HN 0.770 nan 8.210 nan 0.000 0.423 307 Q N 2.912 122.673 119.800 -0.065 0.000 2.471 307 Q HA 0.097 4.437 4.340 -0.000 0.000 0.223 307 Q C 0.088 176.060 176.000 -0.046 0.000 1.045 307 Q CA -0.420 55.344 55.803 -0.064 0.000 0.956 307 Q CB 0.714 29.410 28.738 -0.070 0.000 1.249 307 Q HN 0.241 nan 8.270 nan 0.000 0.549 308 R N 1.349 121.824 120.500 -0.043 0.000 2.585 308 R HA -0.030 4.310 4.340 -0.000 0.000 0.275 308 R C -0.087 176.199 176.300 -0.023 0.000 1.018 308 R CA -0.091 55.992 56.100 -0.028 0.000 1.072 308 R CB 0.345 30.630 30.300 -0.026 0.000 0.953 308 R HN 0.617 nan 8.270 nan 0.000 0.419 309 N N 2.560 121.253 118.700 -0.013 0.000 2.458 309 N HA -0.033 4.707 4.740 -0.000 0.000 0.270 309 N C -0.206 175.299 175.510 -0.007 0.000 1.102 309 N CA -0.058 52.987 53.050 -0.008 0.000 0.967 309 N CB 1.199 39.687 38.487 0.001 0.000 1.078 309 N HN 0.510 nan 8.380 nan 0.000 0.471 310 D N 0.938 121.333 120.400 -0.010 0.000 2.311 310 D HA -0.133 4.507 4.640 -0.000 0.000 0.212 310 D C 1.301 177.599 176.300 -0.003 0.000 0.972 310 D CA 1.119 55.114 54.000 -0.009 0.000 0.887 310 D CB 0.128 40.922 40.800 -0.011 0.000 0.915 310 D HN 0.651 nan 8.370 nan 0.000 0.497 311 S N -0.930 114.770 115.700 -0.000 0.000 2.575 311 S HA 0.322 4.791 4.470 -0.000 0.000 0.215 311 S C 0.906 175.509 174.600 0.005 0.000 0.966 311 S CA -0.335 57.867 58.200 0.003 0.000 0.911 311 S CB 0.304 63.507 63.200 0.005 0.000 0.780 311 S HN 0.149 nan 8.310 nan 0.000 0.514 312 A N 3.153 125.976 122.820 0.005 0.000 2.362 312 A HA 0.629 4.949 4.320 -0.000 0.000 0.276 312 A C -2.289 175.300 177.584 0.009 0.000 1.153 312 A CA -1.426 50.616 52.037 0.008 0.000 0.813 312 A CB -0.390 18.615 19.000 0.007 0.000 1.081 312 A HN 0.331 nan 8.150 nan 0.000 0.507 313 P HA 0.231 nan 4.420 nan 0.000 0.269 313 P C -0.019 177.292 177.300 0.018 0.000 1.209 313 P CA -0.052 63.056 63.100 0.014 0.000 0.776 313 P CB 0.335 32.044 31.700 0.015 0.000 0.876 314 I N -0.791 119.792 120.570 0.022 0.000 2.581 314 I HA 0.386 4.556 4.170 -0.000 0.000 0.288 314 I C 0.229 176.369 176.117 0.040 0.000 1.047 314 I CA -0.880 60.436 61.300 0.026 0.000 1.374 314 I CB 0.861 38.875 38.000 0.023 0.000 1.423 314 I HN 0.167 nan 8.210 nan 0.000 0.549 315 R N 2.904 123.428 120.500 0.040 0.000 2.582 315 R HA 0.159 4.499 4.340 -0.000 0.000 0.271 315 R C 0.182 176.540 176.300 0.096 0.000 1.078 315 R CA -0.610 55.527 56.100 0.062 0.000 1.127 315 R CB 0.210 30.539 30.300 0.048 0.000 1.038 315 R HN 0.694 nan 8.270 nan 0.000 0.500 316 H N 3.516 122.588 119.070 0.003 0.000 3.167 316 H HA -0.125 4.431 4.556 -0.000 0.000 0.306 316 H C 0.718 176.048 175.328 0.004 0.000 0.965 316 H CA 0.817 56.867 56.048 0.003 0.000 1.408 316 H CB 0.305 30.068 29.762 0.003 0.000 1.406 316 H HN 0.589 nan 8.280 nan 0.000 0.576 317 L N 3.286 124.346 121.223 -0.272 0.000 5.081 317 L HA -0.294 4.046 4.340 -0.000 0.000 0.423 317 L C 1.122 177.931 176.870 -0.101 0.000 1.019 317 L CA 0.880 55.570 54.840 -0.250 0.000 1.223 317 L CB -1.313 40.535 42.059 -0.351 0.000 1.940 317 L HN 0.580 nan 8.230 nan 0.000 0.675 318 D N 1.362 121.734 120.400 -0.046 0.000 2.378 318 D HA -0.057 4.583 4.640 -0.000 0.000 0.227 318 D C 1.352 177.643 176.300 -0.014 0.000 1.012 318 D CA 1.252 55.241 54.000 -0.019 0.000 0.905 318 D CB 0.081 40.883 40.800 0.002 0.000 0.895 318 D HN 0.689 nan 8.370 nan 0.000 0.532 319 D N -1.026 119.361 120.400 -0.021 0.000 2.319 319 D HA -0.026 4.614 4.640 -0.000 0.000 0.230 319 D C 0.130 176.418 176.300 -0.020 0.000 1.094 319 D CA -0.036 53.955 54.000 -0.014 0.000 0.856 319 D CB -0.237 40.558 40.800 -0.008 0.000 0.915 319 D HN 0.068 nan 8.370 nan 0.000 0.517 320 R N 0.575 121.057 120.500 -0.030 0.000 2.460 320 R HA 0.371 4.710 4.340 -0.000 0.000 0.303 320 R C 0.026 176.315 176.300 -0.019 0.000 0.968 320 R CA -0.833 55.251 56.100 -0.027 0.000 0.889 320 R CB 1.782 32.058 30.300 -0.040 0.000 1.123 320 R HN -0.084 nan 8.270 nan 0.000 0.455 321 K N 1.540 121.933 120.400 -0.013 0.000 2.524 321 K HA -0.021 4.298 4.320 -0.000 0.000 0.279 321 K C 0.502 177.091 176.600 -0.018 0.000 0.993 321 K CA 0.214 56.495 56.287 -0.011 0.000 1.030 321 K CB 0.406 32.900 32.500 -0.010 0.000 0.891 321 K HN 0.665 nan 8.250 nan 0.000 0.488 322 S N 2.945 118.633 115.700 -0.021 0.000 2.608 322 S HA 0.252 4.722 4.470 -0.000 0.000 0.261 322 S C -2.106 172.475 174.600 -0.032 0.000 1.314 322 S CA -1.376 56.809 58.200 -0.025 0.000 0.992 322 S CB 0.063 63.248 63.200 -0.025 0.000 0.935 322 S HN 0.335 nan 8.310 nan 0.000 0.564 323 P HA 0.325 nan 4.420 nan 0.000 0.270 323 P C -0.540 176.735 177.300 -0.042 0.000 1.223 323 P CA -0.292 62.792 63.100 -0.026 0.000 0.785 323 P CB 0.345 32.037 31.700 -0.014 0.000 0.923 324 R N 1.132 121.609 120.500 -0.038 0.000 2.628 324 R HA 0.448 4.788 4.340 -0.000 0.000 0.288 324 R C -0.952 175.325 176.300 -0.038 0.000 0.980 324 R CA -1.140 54.929 56.100 -0.052 0.000 0.891 324 R CB 1.562 31.833 30.300 -0.049 0.000 1.188 324 R HN 0.366 nan 8.270 nan 0.000 0.450 325 L N 3.530 124.726 121.223 -0.046 0.000 2.331 325 L HA 0.332 4.672 4.340 -0.000 0.000 0.278 325 L C -0.252 176.605 176.870 -0.021 0.000 1.106 325 L CA -0.069 54.756 54.840 -0.024 0.000 0.824 325 L CB 1.209 43.254 42.059 -0.023 0.000 1.142 325 L HN 0.453 nan 8.230 nan 0.000 0.443 326 V N 1.307 121.214 119.914 -0.011 0.000 3.001 326 V HA 0.649 4.768 4.120 -0.000 0.000 0.314 326 V C -0.609 175.481 176.094 -0.006 0.000 1.099 326 V CA -0.840 61.452 62.300 -0.013 0.000 0.989 326 V CB 2.030 33.840 31.823 -0.023 0.000 1.040 326 V HN 0.754 nan 8.190 nan 0.000 0.434 327 E N 2.787 122.984 120.200 -0.005 0.000 2.121 327 E HA 0.392 4.742 4.350 -0.000 0.000 0.255 327 E C -2.073 174.509 176.600 -0.030 0.000 0.906 327 E CA -1.623 54.774 56.400 -0.004 0.000 0.745 327 E CB 1.844 31.555 29.700 0.018 0.000 1.155 327 E HN 0.662 nan 8.360 nan 0.000 0.424 328 P HA -0.155 nan 4.420 nan 0.000 0.218 328 P C 0.104 177.366 177.300 -0.064 0.000 1.148 328 P CA 1.159 64.215 63.100 -0.073 0.000 0.822 328 P CB 0.329 31.955 31.700 -0.123 0.000 0.784 329 E N -0.920 119.246 120.200 -0.056 0.000 2.789 329 E HA 0.386 4.735 4.350 -0.000 0.000 0.208 329 E C 0.619 177.200 176.600 -0.032 0.000 0.988 329 E CA -0.150 56.224 56.400 -0.045 0.000 1.092 329 E CB 0.351 30.022 29.700 -0.049 0.000 1.066 329 E HN 0.105 nan 8.360 nan 0.000 0.465 330 G N 2.239 111.021 108.800 -0.029 0.000 2.681 330 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.220 330 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.220 330 G C -0.471 174.412 174.900 -0.027 0.000 1.353 330 G CA -0.524 44.557 45.100 -0.032 0.000 0.872 330 G HN 0.287 nan 8.290 nan 0.000 0.557 331 R N 0.363 120.819 120.500 -0.073 0.000 2.441 331 R HA 0.525 4.864 4.340 -0.000 0.000 0.284 331 R C 1.123 177.372 176.300 -0.085 0.000 1.070 331 R CA -0.344 55.679 56.100 -0.128 0.000 1.047 331 R CB 0.279 30.374 30.300 -0.341 0.000 1.016 331 R HN 0.590 nan 8.270 nan 0.000 0.477 332 R N 3.999 124.527 120.500 0.047 0.000 2.509 332 R HA 0.159 4.499 4.340 -0.000 0.000 0.300 332 R C -0.650 175.888 176.300 0.397 0.000 0.985 332 R CA -0.240 55.977 56.100 0.196 0.000 1.092 332 R CB 0.513 30.980 30.300 0.278 0.000 1.237 332 R HN 0.572 nan 8.270 nan 0.000 0.546 333 W N 0.044 121.528 121.300 0.307 0.000 2.799 333 W HA 0.820 5.479 4.660 -0.000 0.000 0.349 333 W C -1.179 175.498 176.519 0.264 0.000 1.100 333 W CA -1.468 56.078 57.345 0.335 0.000 1.174 333 W CB 0.786 30.418 29.460 0.288 0.000 1.427 333 W HN -0.221 nan 8.180 nan 0.000 0.547 334 A N 2.279 125.384 122.820 0.476 0.000 2.479 334 A HA 0.968 5.287 4.320 -0.000 0.000 0.296 334 A C -1.995 175.850 177.584 0.434 0.000 1.121 334 A CA -0.866 51.348 52.037 0.294 0.000 0.743 334 A CB 2.071 21.144 19.000 0.122 0.000 1.323 334 A HN 1.026 nan 8.150 nan 0.000 0.415 335 Y N -0.935 119.417 120.300 0.087 0.000 2.656 335 Y HA 0.698 5.248 4.550 -0.000 0.000 0.334 335 Y C -1.434 174.431 175.900 -0.058 0.000 1.179 335 Y CA -1.209 56.831 58.100 -0.100 0.000 1.050 335 Y CB 1.346 39.690 38.460 -0.195 0.000 1.308 335 Y HN 0.512 nan 8.280 nan 0.000 0.456 336 D N 0.902 121.263 120.400 -0.065 0.000 2.392 336 D HA 0.290 4.930 4.640 -0.000 0.000 0.228 336 D C 0.741 177.109 176.300 0.114 0.000 1.074 336 D CA 0.010 53.984 54.000 -0.044 0.000 0.838 336 D CB 1.792 42.622 40.800 0.051 0.000 1.067 336 D HN 0.970 nan 8.370 nan 0.000 0.511 337 G N 3.221 112.105 108.800 0.140 0.000 2.448 337 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.218 337 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.218 337 G C 1.169 176.224 174.900 0.260 0.000 1.135 337 G CA 0.288 45.623 45.100 0.391 0.000 0.784 337 G HN 0.425 nan 8.290 nan 0.000 0.543 338 E N 0.694 120.994 120.200 0.166 0.000 2.216 338 E HA -0.012 4.337 4.350 -0.000 0.000 0.192 338 E C 1.865 178.573 176.600 0.181 0.000 0.988 338 E CA 0.648 57.139 56.400 0.152 0.000 0.834 338 E CB 0.106 29.868 29.700 0.103 0.000 0.772 338 E HN 0.408 nan 8.360 nan 0.000 0.479 339 E N 0.143 120.463 120.200 0.200 0.000 2.526 339 E HA 0.062 4.411 4.350 -0.000 0.000 0.208 339 E C -0.460 176.349 176.600 0.348 0.000 0.997 339 E CA -0.142 56.423 56.400 0.275 0.000 0.961 339 E CB 0.469 30.348 29.700 0.298 0.000 1.030 339 E HN 0.240 nan 8.360 nan 0.000 0.483 340 E N 0.596 120.942 120.200 0.243 0.000 2.228 340 E HA -0.260 4.090 4.350 -0.000 0.000 0.213 340 E C -0.867 175.815 176.600 0.137 0.000 1.282 340 E CA 0.409 56.916 56.400 0.177 0.000 0.707 340 E CB -1.588 28.338 29.700 0.376 0.000 1.150 340 E HN 0.264 nan 8.360 nan 0.000 0.362 341 Y N 0.300 120.434 120.300 -0.276 0.000 2.377 341 Y HA 0.561 5.111 4.550 -0.000 0.000 0.339 341 Y C -0.778 174.736 175.900 -0.642 0.000 1.011 341 Y CA -1.083 56.763 58.100 -0.424 0.000 1.093 341 Y CB 0.882 39.070 38.460 -0.453 0.000 1.201 341 Y HN -0.015 nan 8.280 nan 0.000 0.455 342 F N 3.034 122.287 119.950 -1.163 0.000 2.563 342 F HA 0.600 5.127 4.527 -0.000 0.000 0.316 342 F C -0.215 174.962 175.800 -1.040 0.000 1.076 342 F CA -0.764 56.681 58.000 -0.925 0.000 0.921 342 F CB 2.298 40.596 39.000 -1.171 0.000 1.209 342 F HN 0.397 nan 8.300 nan 0.000 0.462 343 S N 2.424 117.991 115.700 -0.221 0.000 2.547 343 S HA 0.682 5.151 4.470 -0.000 0.000 0.281 343 S C -2.197 172.567 174.600 0.274 0.000 1.118 343 S CA -0.370 57.807 58.200 -0.038 0.000 0.947 343 S CB 0.966 64.190 63.200 0.039 0.000 1.053 343 S HN 0.673 nan 8.310 nan 0.000 0.482 344 W N 6.981 128.350 121.300 0.114 0.000 3.423 344 W HA 0.426 5.085 4.660 -0.001 0.000 0.330 344 W C -0.639 176.061 176.519 0.300 0.000 1.102 344 W CA -0.558 56.908 57.345 0.202 0.000 1.261 344 W CB 0.906 30.449 29.460 0.138 0.000 1.283 344 W HN 0.653 nan 8.180 nan 0.000 0.447 345 M N 6.511 125.888 119.600 -0.373 0.000 2.206 345 M HA -0.298 4.182 4.480 -0.000 0.000 0.197 345 M C 0.290 176.514 176.300 -0.127 0.000 0.375 345 M CA 2.039 57.045 55.300 -0.490 0.000 0.410 345 M CB -2.124 29.721 32.600 -1.260 0.000 1.204 345 M HN 0.740 nan 8.290 nan 0.000 0.932 346 D N -3.691 116.677 120.400 -0.053 0.000 2.911 346 D HA -0.207 4.433 4.640 -0.000 0.000 0.199 346 D C -0.221 176.076 176.300 -0.006 0.000 1.041 346 D CA 1.656 55.578 54.000 -0.129 0.000 1.013 346 D CB -1.269 39.279 40.800 -0.420 0.000 1.093 346 D HN 0.725 nan 8.370 nan 0.000 0.431 347 W N 0.908 122.344 121.300 0.228 0.000 2.375 347 W HA 0.610 5.270 4.660 -0.001 0.000 0.336 347 W C 1.119 177.712 176.519 0.125 0.000 1.160 347 W CA 0.269 57.819 57.345 0.342 0.000 1.266 347 W CB 1.498 31.212 29.460 0.422 0.000 1.195 347 W HN 0.043 nan 8.180 nan 0.000 0.599 348 G N 1.627 110.673 108.800 0.410 0.000 2.667 348 G HA2 0.817 4.776 3.960 -0.000 0.000 0.298 348 G HA3 0.817 4.776 3.960 -0.000 0.000 0.298 348 G C -1.926 173.059 174.900 0.141 0.000 1.377 348 G CA -0.819 44.290 45.100 0.016 0.000 0.964 348 G HN 0.544 nan 8.290 nan 0.000 0.493 349 F N -1.022 118.792 119.950 -0.227 0.000 2.744 349 F HA 0.681 5.208 4.527 -0.000 0.000 0.311 349 F C -2.121 173.663 175.800 -0.028 0.000 1.144 349 F CA -1.980 56.035 58.000 0.026 0.000 0.938 349 F CB 0.945 40.013 39.000 0.113 0.000 1.292 349 F HN 0.463 nan 8.300 nan 0.000 0.444 350 Y N 0.495 121.094 120.300 0.498 0.000 2.457 350 Y HA 0.679 5.229 4.550 -0.000 0.000 0.333 350 Y C 0.603 176.733 175.900 0.384 0.000 1.119 350 Y CA -0.617 57.769 58.100 0.476 0.000 1.143 350 Y CB 2.079 40.846 38.460 0.512 0.000 1.230 350 Y HN 0.819 nan 8.280 nan 0.000 0.469 351 T N -1.622 113.200 114.554 0.447 0.000 2.945 351 T HA 0.761 5.110 4.350 -0.000 0.000 0.286 351 T C -0.422 174.367 174.700 0.148 0.000 1.025 351 T CA -0.784 61.336 62.100 0.033 0.000 1.039 351 T CB 1.829 70.545 68.868 -0.253 0.000 1.068 351 T HN 0.567 nan 8.240 nan 0.000 0.497 352 S N 0.468 116.169 115.700 0.001 0.000 2.588 352 S HA 0.652 5.122 4.470 -0.000 0.000 0.275 352 S C -2.258 172.379 174.600 0.062 0.000 1.130 352 S CA -0.862 57.422 58.200 0.141 0.000 0.855 352 S CB 1.590 64.933 63.200 0.237 0.000 1.116 352 S HN 0.816 nan 8.310 nan 0.000 0.472 353 W N 3.258 124.510 121.300 -0.080 0.000 2.883 353 W HA 0.602 5.262 4.660 -0.000 0.000 0.335 353 W C -1.048 175.401 176.519 -0.117 0.000 1.083 353 W CA -0.513 56.740 57.345 -0.154 0.000 1.233 353 W CB 1.925 31.329 29.460 -0.094 0.000 1.412 353 W HN 0.874 nan 8.180 nan 0.000 0.490 354 S N 4.583 119.950 115.700 -0.556 0.000 2.570 354 S HA 0.372 4.842 4.470 -0.000 0.000 0.286 354 S C 0.724 175.048 174.600 -0.461 0.000 1.099 354 S CA -0.766 57.228 58.200 -0.344 0.000 0.913 354 S CB 2.650 65.664 63.200 -0.309 0.000 1.085 354 S HN 0.673 nan 8.310 nan 0.000 0.480 355 R N 0.874 121.223 120.500 -0.251 0.000 2.081 355 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 355 R C 0.503 176.609 176.300 -0.324 0.000 1.131 355 R CA 2.159 58.113 56.100 -0.243 0.000 0.960 355 R CB -1.029 29.105 30.300 -0.278 0.000 0.856 355 R HN 0.796 nan 8.270 nan 0.000 0.436 356 D N -0.311 119.853 120.400 -0.393 0.000 2.097 356 D HA -0.108 4.532 4.640 -0.000 0.000 0.195 356 D C 1.638 177.762 176.300 -0.293 0.000 0.989 356 D CA 2.363 56.153 54.000 -0.351 0.000 0.827 356 D CB -0.056 40.526 40.800 -0.363 0.000 0.966 356 D HN 0.521 nan 8.370 nan 0.000 0.456 357 T N -3.966 110.356 114.554 -0.388 0.000 3.004 357 T HA 0.496 4.845 4.350 -0.000 0.000 0.266 357 T C 1.168 175.515 174.700 -0.588 0.000 0.986 357 T CA 0.544 62.405 62.100 -0.398 0.000 0.902 357 T CB 1.231 69.875 68.868 -0.374 0.000 1.118 357 T HN 0.276 nan 8.240 nan 0.000 0.522 358 G N 1.965 110.165 108.800 -0.999 0.000 2.520 358 G HA2 -0.186 3.773 3.960 -0.000 0.000 0.248 358 G HA3 -0.186 3.773 3.960 -0.000 0.000 0.248 358 G C -0.376 173.408 174.900 -1.860 0.000 1.161 358 G CA -0.248 43.661 45.100 -1.985 0.000 0.946 358 G HN 0.702 nan 8.290 nan 0.000 0.565 359 I N 1.202 120.808 120.570 -1.606 0.000 2.581 359 I HA 0.554 4.723 4.170 -0.000 0.000 0.288 359 I C 0.334 176.017 176.117 -0.724 0.000 1.047 359 I CA -0.095 60.642 61.300 -0.939 0.000 1.374 359 I CB 1.290 38.801 38.000 -0.814 0.000 1.423 359 I HN 0.590 nan 8.210 nan 0.000 0.549 360 S N 4.959 120.234 115.700 -0.709 0.000 2.595 360 S HA 0.654 5.124 4.470 -0.000 0.000 0.281 360 S C -1.242 172.840 174.600 -0.864 0.000 1.117 360 S CA -0.406 57.425 58.200 -0.615 0.000 0.873 360 S CB 1.621 64.605 63.200 -0.359 0.000 1.108 360 S HN 0.344 nan 8.310 nan 0.000 0.477 361 F N 1.271 120.855 119.950 -0.610 0.000 2.540 361 F HA 0.610 5.137 4.527 -0.000 0.000 0.317 361 F C -0.789 174.536 175.800 -0.791 0.000 1.104 361 F CA -0.602 57.086 58.000 -0.521 0.000 0.913 361 F CB 1.204 39.879 39.000 -0.542 0.000 1.170 361 F HN 0.451 nan 8.300 nan 0.000 0.450 362 Y N 0.162 120.292 120.300 -0.282 0.000 2.499 362 Y HA 0.354 4.903 4.550 -0.000 0.000 0.347 362 Y C -0.081 175.649 175.900 -0.283 0.000 0.987 362 Y CA -1.414 56.256 58.100 -0.716 0.000 1.044 362 Y CB 1.711 39.014 38.460 -1.927 0.000 1.245 362 Y HN 0.665 nan 8.280 nan 0.000 0.461 363 D N 1.695 122.017 120.400 -0.130 0.000 2.737 363 D HA -0.204 4.435 4.640 -0.000 0.000 0.238 363 D C -0.997 175.510 176.300 0.345 0.000 1.157 363 D CA 0.555 54.683 54.000 0.214 0.000 0.694 363 D CB -0.716 40.356 40.800 0.453 0.000 1.021 363 D HN 0.473 nan 8.370 nan 0.000 0.420 364 I N 1.180 121.907 120.570 0.261 0.000 2.452 364 I HA 0.154 4.323 4.170 -0.000 0.000 0.287 364 I C 1.240 177.591 176.117 0.390 0.000 1.079 364 I CA 0.168 61.699 61.300 0.384 0.000 1.387 364 I CB 0.715 38.888 38.000 0.289 0.000 1.404 364 I HN 0.223 nan 8.210 nan 0.000 0.522 365 T N 3.414 118.243 114.554 0.459 0.000 2.912 365 T HA 0.626 4.976 4.350 -0.000 0.000 0.288 365 T C -0.833 174.088 174.700 0.369 0.000 1.030 365 T CA -0.753 61.563 62.100 0.359 0.000 1.020 365 T CB 2.222 71.271 68.868 0.301 0.000 1.056 365 T HN 0.340 nan 8.240 nan 0.000 0.480 366 F N 1.662 121.610 119.950 -0.003 0.000 2.539 366 F HA 0.501 5.028 4.527 -0.000 0.000 0.318 366 F C 0.322 176.114 175.800 -0.014 0.000 1.135 366 F CA -0.925 56.917 58.000 -0.264 0.000 0.915 366 F CB 1.470 40.069 39.000 -0.667 0.000 1.176 366 F HN 0.851 nan 8.300 nan 0.000 0.440 367 K N 4.700 124.664 120.400 -0.726 0.000 3.156 367 K HA -0.226 4.094 4.320 -0.000 0.000 0.266 367 K C 0.799 177.329 176.600 -0.117 0.000 0.966 367 K CA 0.913 56.917 56.287 -0.471 0.000 0.719 367 K CB -1.614 30.539 32.500 -0.579 0.000 1.333 367 K HN 1.324 nan 8.250 nan 0.000 0.468 368 G N -0.377 108.404 108.800 -0.031 0.000 2.179 368 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.260 368 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.260 368 G C -0.214 174.750 174.900 0.107 0.000 0.977 368 G CA 0.734 45.863 45.100 0.048 0.000 0.641 368 G HN 0.501 nan 8.290 nan 0.000 0.533 369 E N -0.105 120.186 120.200 0.152 0.000 2.199 369 E HA 0.456 4.805 4.350 -0.000 0.000 0.269 369 E C 0.217 176.950 176.600 0.221 0.000 0.899 369 E CA -0.985 55.533 56.400 0.195 0.000 0.772 369 E CB 1.657 31.508 29.700 0.252 0.000 1.155 369 E HN 0.327 nan 8.360 nan 0.000 0.408 370 R N 3.285 123.908 120.500 0.204 0.000 2.442 370 R HA 0.118 4.458 4.340 -0.000 0.000 0.291 370 R C 0.799 177.187 176.300 0.147 0.000 1.069 370 R CA 0.231 56.452 56.100 0.202 0.000 1.022 370 R CB 0.304 30.731 30.300 0.212 0.000 0.976 370 R HN 0.719 nan 8.270 nan 0.000 0.443 371 I N 0.815 121.431 120.570 0.077 0.000 4.139 371 I HA 0.259 4.429 4.170 -0.000 0.000 0.320 371 I C -0.651 175.403 176.117 -0.105 0.000 1.290 371 I CA -0.324 60.907 61.300 -0.114 0.000 1.253 371 I CB 0.990 38.732 38.000 -0.430 0.000 1.122 371 I HN 0.152 nan 8.210 nan 0.000 0.421 372 V N 1.073 120.986 119.914 -0.002 0.000 2.569 372 V HA 0.181 4.301 4.120 -0.000 0.000 0.301 372 V C 0.028 176.149 176.094 0.046 0.000 1.044 372 V CA -0.643 61.650 62.300 -0.012 0.000 0.874 372 V CB 1.633 33.414 31.823 -0.070 0.000 1.002 372 V HN 0.281 nan 8.190 nan 0.000 0.424 373 Y N 3.977 124.262 120.300 -0.024 0.000 2.184 373 Y HA 0.171 4.720 4.550 -0.000 0.000 0.290 373 Y C 0.995 176.857 175.900 -0.063 0.000 1.129 373 Y CA 1.817 59.927 58.100 0.017 0.000 1.144 373 Y CB 0.519 38.993 38.460 0.023 0.000 0.995 373 Y HN 0.650 nan 8.280 nan 0.000 0.513 374 E N 0.576 120.623 120.200 -0.256 0.000 2.290 374 E HA 0.408 4.758 4.350 -0.000 0.000 0.274 374 E C -2.309 174.074 176.600 -0.361 0.000 0.889 374 E CA -0.963 55.095 56.400 -0.569 0.000 0.760 374 E CB 1.577 31.069 29.700 -0.347 0.000 1.206 374 E HN 0.169 nan 8.360 nan 0.000 0.419 375 L N 4.057 125.037 121.223 -0.405 0.000 2.372 375 L HA 0.588 4.927 4.340 -0.000 0.000 0.274 375 L C -1.701 175.072 176.870 -0.161 0.000 0.988 375 L CA -0.201 54.527 54.840 -0.188 0.000 0.833 375 L CB 1.629 43.595 42.059 -0.154 0.000 1.236 375 L HN 0.537 nan 8.230 nan 0.000 0.410 376 S N 4.492 120.144 115.700 -0.080 0.000 2.649 376 S HA 0.492 4.962 4.470 -0.000 0.000 0.274 376 S C -0.823 173.739 174.600 -0.062 0.000 1.176 376 S CA -0.826 57.306 58.200 -0.114 0.000 0.988 376 S CB 1.136 64.208 63.200 -0.214 0.000 1.071 376 S HN 0.779 nan 8.310 nan 0.000 0.478 377 L N 3.025 124.181 121.223 -0.113 0.000 2.525 377 L HA 0.266 4.605 4.340 -0.000 0.000 0.278 377 L C 1.075 177.733 176.870 -0.353 0.000 1.218 377 L CA 1.014 55.599 54.840 -0.425 0.000 0.878 377 L CB 0.261 42.016 42.059 -0.507 0.000 1.127 377 L HN 0.850 nan 8.230 nan 0.000 0.492 378 Q N 2.302 121.864 119.800 -0.397 0.000 2.442 378 Q HA 0.245 4.585 4.340 -0.000 0.000 0.228 378 Q C -0.152 175.643 176.000 -0.342 0.000 0.902 378 Q CA 0.352 55.969 55.803 -0.309 0.000 0.933 378 Q CB 0.836 29.413 28.738 -0.269 0.000 1.071 378 Q HN 0.758 nan 8.270 nan 0.000 0.562 379 E N -0.543 119.403 120.200 -0.423 0.000 2.388 379 E HA 0.479 4.828 4.350 -0.000 0.000 0.281 379 E C -2.095 174.399 176.600 -0.176 0.000 1.046 379 E CA -0.332 55.909 56.400 -0.266 0.000 0.825 379 E CB 1.014 30.553 29.700 -0.268 0.000 1.243 379 E HN -0.056 nan 8.360 nan 0.000 0.438 380 L N 3.465 124.705 121.223 0.028 0.000 2.409 380 L HA 0.628 4.968 4.340 -0.000 0.000 0.272 380 L C -0.494 176.546 176.870 0.283 0.000 0.980 380 L CA -0.592 54.320 54.840 0.120 0.000 0.826 380 L CB 1.557 43.588 42.059 -0.047 0.000 1.268 380 L HN 0.621 nan 8.230 nan 0.000 0.407 381 I N -0.005 120.801 120.570 0.394 0.000 2.750 381 I HA 1.031 5.201 4.170 -0.000 0.000 0.308 381 I C -0.314 176.001 176.117 0.331 0.000 1.016 381 I CA -0.855 60.696 61.300 0.419 0.000 1.098 381 I CB 2.236 40.526 38.000 0.483 0.000 1.279 381 I HN 0.617 nan 8.210 nan 0.000 0.454 382 A N 3.706 126.734 122.820 0.347 0.000 2.411 382 A HA 0.523 4.843 4.320 -0.000 0.000 0.285 382 A C -0.843 176.764 177.584 0.039 0.000 1.129 382 A CA -0.418 51.729 52.037 0.184 0.000 0.736 382 A CB 0.936 20.196 19.000 0.434 0.000 1.186 382 A HN 0.840 nan 8.150 nan 0.000 0.445 383 E N 2.768 122.773 120.200 -0.326 0.000 2.145 383 E HA 0.511 4.860 4.350 -0.000 0.000 0.262 383 E C -1.597 174.733 176.600 -0.450 0.000 0.883 383 E CA -0.389 55.685 56.400 -0.544 0.000 0.748 383 E CB 0.828 29.874 29.700 -1.090 0.000 1.140 383 E HN 0.611 nan 8.360 nan 0.000 0.417 384 Y N 1.302 121.430 120.300 -0.287 0.000 2.320 384 Y HA 0.526 5.076 4.550 -0.000 0.000 0.324 384 Y C 0.916 176.689 175.900 -0.212 0.000 1.190 384 Y CA -0.195 57.797 58.100 -0.180 0.000 1.215 384 Y CB 1.973 40.355 38.460 -0.131 0.000 1.221 384 Y HN 0.546 nan 8.280 nan 0.000 0.486 385 G N 0.794 109.579 108.800 -0.024 0.000 2.461 385 G HA2 0.538 4.498 3.960 -0.000 0.000 0.323 385 G HA3 0.538 4.498 3.960 -0.000 0.000 0.323 385 G C -1.114 173.813 174.900 0.045 0.000 1.229 385 G CA -0.488 44.613 45.100 0.002 0.000 0.941 385 G HN 0.593 nan 8.290 nan 0.000 0.477 386 S N -0.037 115.445 115.700 -0.363 0.000 2.611 386 S HA 0.387 4.857 4.470 -0.000 0.000 0.268 386 S C 0.054 173.888 174.600 -1.277 0.000 1.156 386 S CA -0.088 57.736 58.200 -0.627 0.000 0.817 386 S CB 1.648 64.702 63.200 -0.243 0.000 1.122 386 S HN 0.666 nan 8.310 nan 0.000 0.466 387 D N 0.873 120.687 120.400 -0.977 0.000 2.347 387 D HA 0.062 4.702 4.640 -0.000 0.000 0.213 387 D C 0.246 176.280 176.300 -0.445 0.000 0.985 387 D CA 0.386 54.000 54.000 -0.644 0.000 0.879 387 D CB -0.442 40.219 40.800 -0.232 0.000 0.919 387 D HN 0.592 nan 8.370 nan 0.000 0.526 388 D N -0.333 119.805 120.400 -0.437 0.000 2.272 388 D HA 0.213 4.853 4.640 -0.000 0.000 0.247 388 D C -2.042 173.878 176.300 -0.633 0.000 0.990 388 D CA -2.155 51.499 54.000 -0.576 0.000 0.931 388 D CB 1.981 42.431 40.800 -0.583 0.000 1.195 388 D HN -0.249 nan 8.370 nan 0.000 0.477 389 P HA 0.030 nan 4.420 nan 0.000 0.245 389 P C 0.557 177.681 177.300 -0.292 0.000 1.212 389 P CA 0.249 63.009 63.100 -0.566 0.000 0.774 389 P CB -0.019 31.356 31.700 -0.540 0.000 0.999 390 F N 1.438 121.164 119.950 -0.374 0.000 2.222 390 F HA 0.127 4.654 4.527 -0.001 0.000 0.285 390 F C 2.025 177.746 175.800 -0.131 0.000 1.068 390 F CA 1.146 59.094 58.000 -0.087 0.000 1.265 390 F CB -0.633 38.453 39.000 0.143 0.000 1.087 390 F HN -0.217 nan 8.300 nan 0.000 0.511 391 N N -0.236 118.490 118.700 0.043 0.000 2.188 391 N HA -0.230 4.510 4.740 -0.000 0.000 0.184 391 N C 1.608 176.989 175.510 -0.215 0.000 1.018 391 N CA 0.958 53.954 53.050 -0.091 0.000 0.858 391 N CB -0.179 38.337 38.487 0.050 0.000 0.989 391 N HN 0.240 nan 8.380 nan 0.000 0.426 392 Q N 0.934 120.531 119.800 -0.339 0.000 2.291 392 Q HA -0.079 4.260 4.340 -0.000 0.000 0.205 392 Q C 0.333 175.987 176.000 -0.577 0.000 0.970 392 Q CA 1.548 57.070 55.803 -0.469 0.000 0.876 392 Q CB -0.092 28.276 28.738 -0.617 0.000 0.935 392 Q HN 0.525 nan 8.270 nan 0.000 0.455 393 H N -1.351 117.510 119.070 -0.349 0.000 2.519 393 H HA 0.296 4.852 4.556 -0.000 0.000 0.289 393 H C -0.577 174.557 175.328 -0.324 0.000 1.040 393 H CA 0.125 55.984 56.048 -0.315 0.000 1.165 393 H CB 0.594 30.145 29.762 -0.353 0.000 1.462 393 H HN -0.043 nan 8.280 nan 0.000 0.555 394 T N 1.300 115.677 114.554 -0.295 0.000 2.733 394 T HA 0.225 4.575 4.350 -0.000 0.000 0.294 394 T C -0.693 173.899 174.700 -0.180 0.000 0.956 394 T CA -0.309 61.532 62.100 -0.432 0.000 0.987 394 T CB 0.374 68.836 68.868 -0.676 0.000 0.920 394 T HN 0.330 nan 8.240 nan 0.000 0.470 395 F N 4.264 124.007 119.950 -0.345 0.000 2.971 395 F HA 0.328 4.854 4.527 -0.000 0.000 0.373 395 F C -0.919 174.848 175.800 -0.055 0.000 1.288 395 F CA -1.251 56.660 58.000 -0.148 0.000 1.204 395 F CB 0.481 39.416 39.000 -0.108 0.000 1.852 395 F HN 0.583 nan 8.300 nan 0.000 0.624 396 Y N 1.719 122.297 120.300 0.464 0.000 2.497 396 Y HA 0.107 4.656 4.550 -0.000 0.000 0.334 396 Y C 0.918 177.051 175.900 0.389 0.000 1.199 396 Y CA -0.008 58.340 58.100 0.413 0.000 1.425 396 Y CB 1.081 39.785 38.460 0.405 0.000 1.291 396 Y HN 0.341 nan 8.280 nan 0.000 0.562 397 S N 2.345 118.334 115.700 0.482 0.000 2.420 397 S HA 0.147 4.617 4.470 -0.000 0.000 0.313 397 S C 0.303 175.129 174.600 0.377 0.000 1.079 397 S CA -0.926 57.469 58.200 0.325 0.000 1.104 397 S CB 0.342 63.632 63.200 0.151 0.000 0.969 397 S HN 0.647 nan 8.310 nan 0.000 0.471 398 D N 3.829 124.436 120.400 0.345 0.000 2.224 398 D HA -0.061 4.579 4.640 -0.000 0.000 0.205 398 D C 1.782 178.226 176.300 0.240 0.000 0.965 398 D CA 1.171 55.375 54.000 0.340 0.000 0.852 398 D CB -0.072 40.866 40.800 0.229 0.000 0.947 398 D HN 0.849 nan 8.370 nan 0.000 0.494 399 I N -0.698 119.943 120.570 0.119 0.000 2.830 399 I HA -0.127 4.043 4.170 -0.000 0.000 0.263 399 I C 2.099 178.218 176.117 0.004 0.000 1.230 399 I CA 0.813 62.121 61.300 0.012 0.000 1.480 399 I CB -0.294 37.658 38.000 -0.080 0.000 1.095 399 I HN -0.158 nan 8.210 nan 0.000 0.455 400 S N 1.198 116.927 115.700 0.048 0.000 2.368 400 S HA -0.200 4.270 4.470 -0.000 0.000 0.225 400 S C 1.960 176.602 174.600 0.071 0.000 1.030 400 S CA 1.067 59.288 58.200 0.035 0.000 0.999 400 S CB -1.142 62.022 63.200 -0.060 0.000 0.844 400 S HN 0.660 nan 8.310 nan 0.000 0.459 401 Y N 2.451 122.865 120.300 0.190 0.000 2.314 401 Y HA 0.335 4.885 4.550 -0.000 0.000 0.293 401 Y C 1.599 177.581 175.900 0.135 0.000 1.129 401 Y CA 0.481 58.687 58.100 0.177 0.000 1.201 401 Y CB -0.431 38.103 38.460 0.123 0.000 0.999 401 Y HN 0.607 nan 8.280 nan 0.000 0.541 402 G N -0.563 108.356 108.800 0.199 0.000 3.363 402 G HA2 -0.082 3.877 3.960 -0.000 0.000 0.685 402 G HA3 -0.082 3.877 3.960 -0.000 0.000 0.685 402 G C -0.130 174.836 174.900 0.109 0.000 1.199 402 G CA -0.356 44.784 45.100 0.067 0.000 0.946 402 G HN -0.036 nan 8.290 nan 0.000 0.558 403 V N 1.824 121.761 119.914 0.039 0.000 2.992 403 V HA 0.293 4.413 4.120 -0.000 0.000 0.250 403 V C 2.340 178.518 176.094 0.139 0.000 1.090 403 V CA 2.165 64.541 62.300 0.127 0.000 1.101 403 V CB 0.573 32.434 31.823 0.063 0.000 0.743 403 V HN 1.380 nan 8.190 nan 0.000 0.468 404 G N 1.452 110.214 108.800 -0.062 0.000 3.434 404 G HA2 0.023 3.983 3.960 -0.000 0.000 0.258 404 G HA3 0.023 3.983 3.960 -0.000 0.000 0.258 404 G C 0.455 175.520 174.900 0.275 0.000 1.128 404 G CA 0.149 45.222 45.100 -0.044 0.000 0.792 404 G HN 0.616 nan 8.290 nan 0.000 0.539 405 N N -0.281 118.495 118.700 0.128 0.000 2.480 405 N HA 0.213 4.953 4.740 -0.000 0.000 0.281 405 N C 0.598 176.079 175.510 -0.048 0.000 1.381 405 N CA -0.597 52.457 53.050 0.007 0.000 0.903 405 N CB 0.569 38.993 38.487 -0.105 0.000 1.274 405 N HN 0.035 nan 8.380 nan 0.000 0.505 406 R N -0.187 120.349 120.500 0.059 0.000 2.702 406 R HA 0.528 4.867 4.340 -0.000 0.000 0.166 406 R C -0.147 176.053 176.300 -0.166 0.000 1.402 406 R CA -0.331 55.712 56.100 -0.095 0.000 1.077 406 R CB -0.475 29.940 30.300 0.191 0.000 1.947 406 R HN 0.062 nan 8.270 nan 0.000 0.494 407 F N 0.115 120.163 119.950 0.163 0.000 2.457 407 F HA 0.364 4.891 4.527 -0.000 0.000 0.330 407 F C 1.019 176.926 175.800 0.178 0.000 1.069 407 F CA -0.596 57.461 58.000 0.096 0.000 1.009 407 F CB 0.847 39.887 39.000 0.066 0.000 1.276 407 F HN 0.106 nan 8.300 nan 0.000 0.492 408 S N 0.841 116.758 115.700 0.362 0.000 2.593 408 S HA 0.354 4.824 4.470 -0.000 0.000 0.269 408 S C -0.245 174.646 174.600 0.486 0.000 1.334 408 S CA -0.661 57.745 58.200 0.344 0.000 1.015 408 S CB 0.350 63.685 63.200 0.225 0.000 0.912 408 S HN 0.312 nan 8.310 nan 0.000 0.541 409 L N 1.845 123.297 121.223 0.382 0.000 2.371 409 L HA 0.289 4.629 4.340 -0.000 0.000 0.272 409 L C -0.397 176.560 176.870 0.146 0.000 1.124 409 L CA -0.630 54.396 54.840 0.311 0.000 0.816 409 L CB 0.607 42.907 42.059 0.402 0.000 1.129 409 L HN 0.309 nan 8.230 nan 0.000 0.448 410 V N 4.656 124.540 119.914 -0.051 0.000 2.389 410 V HA 0.170 4.289 4.120 -0.000 0.000 0.264 410 V C -1.950 174.145 176.094 0.002 0.000 1.049 410 V CA -1.572 60.541 62.300 -0.311 0.000 0.932 410 V CB 0.690 32.281 31.823 -0.387 0.000 1.011 410 V HN 0.607 nan 8.190 nan 0.000 0.475 411 P HA 0.188 nan 4.420 nan 0.000 0.267 411 P C 1.133 178.482 177.300 0.083 0.000 1.200 411 P CA 1.381 64.474 63.100 -0.011 0.000 0.772 411 P CB 0.678 32.226 31.700 -0.254 0.000 0.855 412 G N 0.854 109.653 108.800 -0.003 0.000 2.458 412 G HA2 -0.374 3.585 3.960 -0.000 0.000 0.237 412 G HA3 -0.374 3.585 3.960 -0.000 0.000 0.237 412 G C 0.784 175.557 174.900 -0.212 0.000 1.113 412 G CA 0.400 45.428 45.100 -0.119 0.000 0.655 412 G HN 0.509 nan 8.290 nan 0.000 0.513 413 Y N 0.150 120.467 120.300 0.028 0.000 2.472 413 Y HA 0.272 4.821 4.550 -0.001 0.000 0.288 413 Y C 2.513 178.401 175.900 -0.021 0.000 1.154 413 Y CA 0.962 59.065 58.100 0.005 0.000 1.238 413 Y CB 0.008 38.478 38.460 0.018 0.000 1.287 413 Y HN 0.143 nan 8.280 nan 0.000 0.524 414 D N -0.648 119.855 120.400 0.172 0.000 2.224 414 D HA -0.008 4.631 4.640 -0.000 0.000 0.205 414 D C -0.046 176.268 176.300 0.024 0.000 0.965 414 D CA 0.927 54.989 54.000 0.102 0.000 0.852 414 D CB 0.072 40.957 40.800 0.142 0.000 0.947 414 D HN 0.129 nan 8.370 nan 0.000 0.494 415 c N -0.187 118.408 118.600 -0.009 0.000 2.994 415 c HA 0.413 4.982 4.570 -0.000 0.000 0.305 415 c C -2.386 171.511 174.090 -0.322 0.000 1.251 415 c CA -1.624 54.555 56.329 -0.250 0.000 1.478 415 c CB 2.099 44.532 42.510 -0.127 0.000 1.922 415 c HN 0.022 nan 8.230 nan 0.000 0.472 416 P HA 0.154 nan 4.420 nan 0.000 0.269 416 P C 0.293 177.459 177.300 -0.223 0.000 1.217 416 P CA 0.260 63.118 63.100 -0.402 0.000 0.783 416 P CB 0.479 31.885 31.700 -0.490 0.000 0.898 417 A N 1.787 124.513 122.820 -0.157 0.000 2.076 417 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 417 A C 1.677 179.238 177.584 -0.040 0.000 1.160 417 A CA 2.199 54.176 52.037 -0.099 0.000 0.653 417 A CB -1.694 17.239 19.000 -0.113 0.000 0.801 417 A HN 0.649 nan 8.150 nan 0.000 0.455 418 T N -2.392 112.145 114.554 -0.028 0.000 3.148 418 T HA 0.511 4.861 4.350 -0.000 0.000 0.253 418 T C 0.767 175.544 174.700 0.128 0.000 1.134 418 T CA 0.345 62.475 62.100 0.050 0.000 1.051 418 T CB -0.507 68.409 68.868 0.080 0.000 0.959 418 T HN 0.596 nan 8.240 nan 0.000 0.525 419 A N 0.789 123.638 122.820 0.048 0.000 2.366 419 A HA 0.651 4.971 4.320 -0.000 0.000 0.249 419 A C 0.799 178.388 177.584 0.008 0.000 1.084 419 A CA -0.189 51.871 52.037 0.038 0.000 0.794 419 A CB -0.097 18.745 19.000 -0.263 0.000 1.034 419 A HN 0.562 nan 8.150 nan 0.000 0.491 420 G N -0.688 108.198 108.800 0.142 0.000 2.400 420 G HA2 0.563 4.523 3.960 -0.000 0.000 0.333 420 G HA3 0.563 4.523 3.960 -0.000 0.000 0.333 420 G C -1.144 173.581 174.900 -0.292 0.000 1.143 420 G CA -0.305 44.851 45.100 0.094 0.000 0.914 420 G HN 0.533 nan 8.290 nan 0.000 0.480 421 Y N -0.315 119.815 120.300 -0.283 0.000 2.509 421 Y HA 0.667 5.217 4.550 -0.000 0.000 0.341 421 Y C -0.495 174.920 175.900 -0.809 0.000 1.038 421 Y CA -0.572 57.341 58.100 -0.312 0.000 1.089 421 Y CB 2.485 40.856 38.460 -0.149 0.000 1.241 421 Y HN 0.408 nan 8.280 nan 0.000 0.468 422 F N -0.020 119.784 119.950 -0.244 0.000 2.551 422 F HA 0.490 5.017 4.527 -0.000 0.000 0.316 422 F C -0.068 175.523 175.800 -0.349 0.000 1.089 422 F CA -0.971 56.775 58.000 -0.422 0.000 0.915 422 F CB 2.115 40.565 39.000 -0.916 0.000 1.186 422 F HN 0.250 nan 8.300 nan 0.000 0.456 423 T N 1.501 116.032 114.554 -0.040 0.000 2.845 423 T HA 0.576 4.926 4.350 -0.000 0.000 0.288 423 T C 0.080 174.738 174.700 -0.070 0.000 0.980 423 T CA -0.511 61.553 62.100 -0.061 0.000 1.071 423 T CB 1.110 69.979 68.868 0.002 0.000 0.941 423 T HN 0.747 nan 8.240 nan 0.000 0.487 424 T N -0.052 114.362 114.554 -0.234 0.000 2.858 424 T HA 0.822 5.172 4.350 -0.000 0.000 0.285 424 T C -1.492 173.061 174.700 -0.245 0.000 1.052 424 T CA -1.064 60.848 62.100 -0.314 0.000 1.009 424 T CB 1.818 70.099 68.868 -0.979 0.000 1.241 424 T HN 0.635 nan 8.240 nan 0.000 0.542 425 D N -1.218 119.077 120.400 -0.174 0.000 2.602 425 D HA 0.664 5.304 4.640 -0.000 0.000 0.236 425 D C -0.760 175.471 176.300 -0.116 0.000 1.209 425 D CA -0.687 53.189 54.000 -0.207 0.000 0.831 425 D CB 1.729 42.347 40.800 -0.304 0.000 1.478 425 D HN 0.900 nan 8.370 nan 0.000 0.438 426 T N -2.942 111.489 114.554 -0.204 0.000 2.841 426 T HA 0.666 5.015 4.350 -0.000 0.000 0.296 426 T C -1.524 173.189 174.700 0.021 0.000 1.166 426 T CA -1.017 61.066 62.100 -0.028 0.000 1.007 426 T CB 1.294 70.160 68.868 -0.004 0.000 1.253 426 T HN 0.504 nan 8.240 nan 0.000 0.511 427 F N 0.468 120.456 119.950 0.063 0.000 2.539 427 F HA 0.704 5.231 4.527 -0.000 0.000 0.318 427 F C -0.944 175.034 175.800 0.297 0.000 1.135 427 F CA -0.498 57.644 58.000 0.236 0.000 0.915 427 F CB 1.612 40.779 39.000 0.278 0.000 1.176 427 F HN 0.768 nan 8.300 nan 0.000 0.440 428 E N 5.168 125.178 120.200 -0.316 0.000 2.304 428 E HA 0.227 4.577 4.350 -0.000 0.000 0.277 428 E C -1.580 174.843 176.600 -0.295 0.000 0.898 428 E CA -1.088 55.193 56.400 -0.199 0.000 0.764 428 E CB 2.000 31.760 29.700 0.100 0.000 1.216 428 E HN 0.669 nan 8.360 nan 0.000 0.419 429 Y N 2.151 122.331 120.300 -0.201 0.000 2.982 429 Y HA -0.294 4.256 4.550 -0.000 0.000 0.192 429 Y C 0.146 175.967 175.900 -0.131 0.000 1.397 429 Y CA 1.019 59.072 58.100 -0.080 0.000 0.844 429 Y CB -1.914 36.541 38.460 -0.010 0.000 1.290 429 Y HN 0.765 nan 8.280 nan 0.000 0.408 430 D N -1.564 118.821 120.400 -0.025 0.000 3.059 430 D HA -0.223 4.417 4.640 -0.000 0.000 0.213 430 D C -0.038 176.294 176.300 0.054 0.000 1.144 430 D CA 1.635 55.744 54.000 0.182 0.000 0.975 430 D CB -0.608 40.323 40.800 0.218 0.000 1.125 430 D HN 0.805 nan 8.370 nan 0.000 0.412 431 E N -0.471 119.560 120.200 -0.283 0.000 2.248 431 E HA 0.470 4.819 4.350 -0.000 0.000 0.267 431 E C -0.636 175.947 176.600 -0.028 0.000 0.877 431 E CA -0.824 55.499 56.400 -0.127 0.000 0.759 431 E CB 1.935 31.452 29.700 -0.305 0.000 1.182 431 E HN 0.001 nan 8.360 nan 0.000 0.418 432 F N 2.640 122.659 119.950 0.114 0.000 2.411 432 F HA 0.323 4.850 4.527 -0.000 0.000 0.350 432 F C -1.151 174.700 175.800 0.085 0.000 1.114 432 F CA -0.428 57.745 58.000 0.290 0.000 1.135 432 F CB 0.451 39.628 39.000 0.295 0.000 1.120 432 F HN 0.362 nan 8.300 nan 0.000 0.495 433 Y N 4.484 124.616 120.300 -0.280 0.000 2.328 433 Y HA 0.301 4.851 4.550 -0.000 0.000 0.337 433 Y C -0.124 175.626 175.900 -0.249 0.000 0.966 433 Y CA -0.942 57.065 58.100 -0.155 0.000 1.136 433 Y CB 1.020 39.407 38.460 -0.120 0.000 1.170 433 Y HN 0.490 nan 8.280 nan 0.000 0.470 434 N N 3.234 121.975 118.700 0.068 0.000 2.426 434 N HA 0.380 5.120 4.740 -0.000 0.000 0.275 434 N C -1.123 174.402 175.510 0.025 0.000 1.019 434 N CA -0.733 52.354 53.050 0.062 0.000 0.941 434 N CB 0.610 39.183 38.487 0.144 0.000 1.123 434 N HN 0.548 nan 8.380 nan 0.000 0.486 435 R N 1.145 121.619 120.500 -0.043 0.000 2.358 435 R HA 0.295 4.635 4.340 -0.000 0.000 0.309 435 R C -0.062 176.189 176.300 -0.080 0.000 1.026 435 R CA -0.775 55.285 56.100 -0.065 0.000 0.909 435 R CB 0.687 30.909 30.300 -0.130 0.000 1.153 435 R HN 0.526 nan 8.270 nan 0.000 0.515 436 T N -0.770 113.762 114.554 -0.036 0.000 2.868 436 T HA 0.267 4.617 4.350 -0.000 0.000 0.292 436 T C 0.974 175.663 174.700 -0.018 0.000 1.028 436 T CA -0.765 61.315 62.100 -0.034 0.000 1.059 436 T CB 0.603 69.456 68.868 -0.025 0.000 0.991 436 T HN 0.633 nan 8.240 nan 0.000 0.531 437 L N 0.102 121.319 121.223 -0.010 0.000 3.678 437 L HA -0.236 4.104 4.340 -0.000 0.000 0.425 437 L C 1.779 178.744 176.870 0.157 0.000 1.240 437 L CA 0.571 55.448 54.840 0.062 0.000 0.876 437 L CB -2.357 39.663 42.059 -0.065 0.000 1.766 437 L HN 0.962 nan 8.230 nan 0.000 0.917 438 S N -0.562 115.161 115.700 0.038 0.000 2.377 438 S HA 0.017 4.487 4.470 -0.000 0.000 0.223 438 S C 0.397 175.143 174.600 0.243 0.000 1.030 438 S CA 1.155 59.344 58.200 -0.017 0.000 0.970 438 S CB 0.226 63.159 63.200 -0.445 0.000 0.830 438 S HN 0.573 nan 8.310 nan 0.000 0.473 439 Y N -0.387 120.033 120.300 0.201 0.000 2.615 439 Y HA 0.713 5.263 4.550 -0.000 0.000 0.341 439 Y C -0.501 175.594 175.900 0.325 0.000 1.089 439 Y CA -1.888 56.404 58.100 0.320 0.000 1.049 439 Y CB 0.526 39.147 38.460 0.268 0.000 1.296 439 Y HN 0.200 nan 8.280 nan 0.000 0.470 440 c N 0.605 119.428 118.600 0.371 0.000 2.779 440 c HA 0.970 5.540 4.570 -0.000 0.000 0.314 440 c C -1.142 172.998 174.090 0.085 0.000 1.231 440 c CA -1.007 55.360 56.329 0.063 0.000 1.652 440 c CB 1.151 43.545 42.510 -0.193 0.000 2.198 440 c HN 0.869 nan 8.230 nan 0.000 0.483 441 V N 2.554 122.422 119.914 -0.077 0.000 2.638 441 V HA 0.840 4.960 4.120 -0.000 0.000 0.306 441 V C -0.545 175.357 176.094 -0.320 0.000 1.052 441 V CA -0.117 61.912 62.300 -0.453 0.000 0.885 441 V CB 1.297 32.529 31.823 -0.985 0.000 0.999 441 V HN 1.038 nan 8.190 nan 0.000 0.424 442 F N 0.839 120.503 119.950 -0.477 0.000 2.654 442 F HA 0.698 5.224 4.527 -0.001 0.000 0.308 442 F C -0.784 174.855 175.800 -0.269 0.000 1.108 442 F CA -1.047 56.834 58.000 -0.199 0.000 0.957 442 F CB 1.710 40.646 39.000 -0.107 0.000 1.309 442 F HN 0.490 nan 8.300 nan 0.000 0.446 443 E N 2.305 122.557 120.200 0.087 0.000 2.146 443 E HA 0.289 4.639 4.350 -0.000 0.000 0.282 443 E C -1.216 175.444 176.600 0.100 0.000 0.989 443 E CA -0.607 55.757 56.400 -0.059 0.000 0.799 443 E CB 0.840 30.633 29.700 0.154 0.000 1.088 443 E HN 0.674 nan 8.360 nan 0.000 0.397 444 N N 2.992 121.679 118.700 -0.021 0.000 2.489 444 N HA 0.100 4.840 4.740 -0.000 0.000 0.284 444 N C -1.333 174.198 175.510 0.035 0.000 1.158 444 N CA -0.465 52.638 53.050 0.088 0.000 0.965 444 N CB 1.439 39.978 38.487 0.086 0.000 1.195 444 N HN 0.340 nan 8.380 nan 0.000 0.506 445 Q N 1.654 121.485 119.800 0.052 0.000 2.400 445 Q HA 0.244 4.584 4.340 -0.000 0.000 0.255 445 Q C -1.021 174.985 176.000 0.010 0.000 1.008 445 Q CA -0.484 55.345 55.803 0.043 0.000 0.841 445 Q CB 0.430 29.207 28.738 0.065 0.000 1.220 445 Q HN 0.406 nan 8.270 nan 0.000 0.474 446 E N 1.980 122.149 120.200 -0.052 0.000 2.404 446 E HA -0.034 4.316 4.350 -0.000 0.000 0.261 446 E C 0.055 176.621 176.600 -0.057 0.000 1.074 446 E CA 0.118 56.468 56.400 -0.084 0.000 0.917 446 E CB 0.670 30.206 29.700 -0.273 0.000 0.965 446 E HN 0.746 nan 8.360 nan 0.000 0.433 447 D N 0.183 120.624 120.400 0.067 0.000 2.324 447 D HA -0.070 4.570 4.640 -0.000 0.000 0.235 447 D C 0.065 176.485 176.300 0.200 0.000 1.095 447 D CA 0.097 54.171 54.000 0.123 0.000 0.871 447 D CB -0.641 40.239 40.800 0.133 0.000 0.906 447 D HN 0.366 nan 8.370 nan 0.000 0.522 448 Y N -1.605 118.752 120.300 0.095 0.000 2.553 448 Y HA 0.614 5.164 4.550 -0.000 0.000 0.347 448 Y C -0.024 175.951 175.900 0.124 0.000 1.019 448 Y CA -1.861 56.297 58.100 0.096 0.000 1.032 448 Y CB 0.660 39.169 38.460 0.082 0.000 1.284 448 Y HN -0.096 nan 8.280 nan 0.000 0.466 449 S N 2.168 117.946 115.700 0.130 0.000 2.614 449 S HA 0.156 4.626 4.470 -0.000 0.000 0.265 449 S C 0.675 175.341 174.600 0.110 0.000 1.303 449 S CA -0.439 57.809 58.200 0.081 0.000 1.000 449 S CB 1.265 64.551 63.200 0.143 0.000 0.935 449 S HN 0.954 nan 8.310 nan 0.000 0.551 450 L N 0.925 122.211 121.223 0.105 0.000 2.093 450 L HA 0.292 4.631 4.340 -0.000 0.000 0.208 450 L C 0.125 177.103 176.870 0.179 0.000 1.085 450 L CA 1.676 56.613 54.840 0.162 0.000 0.755 450 L CB -0.905 41.256 42.059 0.170 0.000 0.904 450 L HN 0.879 nan 8.230 nan 0.000 0.435 451 L N -3.308 118.012 121.223 0.162 0.000 2.892 451 L HA 0.637 4.976 4.340 -0.000 0.000 0.269 451 L C -0.917 176.049 176.870 0.160 0.000 1.058 451 L CA -0.945 53.985 54.840 0.150 0.000 0.923 451 L CB 1.442 43.574 42.059 0.122 0.000 1.518 451 L HN 0.198 nan 8.230 nan 0.000 0.402 452 R N -0.352 120.248 120.500 0.165 0.000 2.728 452 R HA 0.748 5.088 4.340 -0.000 0.000 0.274 452 R C -1.973 174.478 176.300 0.251 0.000 1.032 452 R CA -0.862 55.352 56.100 0.191 0.000 0.866 452 R CB 1.231 31.623 30.300 0.153 0.000 1.263 452 R HN 1.004 nan 8.270 nan 0.000 0.475 453 H N -0.199 118.954 119.070 0.138 0.000 3.085 453 H HA 0.448 5.004 4.556 -0.001 0.000 0.356 453 H C -1.746 173.598 175.328 0.027 0.000 1.178 453 H CA -0.126 55.978 56.048 0.093 0.000 1.214 453 H CB 2.834 32.677 29.762 0.135 0.000 1.881 453 H HN 0.720 nan 8.280 nan 0.000 0.538 454 T N 3.251 117.344 114.554 -0.768 0.000 2.786 454 T HA 0.706 5.056 4.350 -0.000 0.000 0.283 454 T C -0.376 173.686 174.700 -1.062 0.000 0.992 454 T CA 0.018 61.676 62.100 -0.736 0.000 0.954 454 T CB 1.029 69.650 68.868 -0.411 0.000 0.934 454 T HN 0.865 nan 8.240 nan 0.000 0.440 455 G N 0.696 108.886 108.800 -1.018 0.000 2.489 455 G HA2 0.585 4.545 3.960 -0.000 0.000 0.291 455 G HA3 0.585 4.545 3.960 -0.000 0.000 0.291 455 G C -0.141 174.434 174.900 -0.543 0.000 1.487 455 G CA 0.130 44.860 45.100 -0.617 0.000 0.795 455 G HN 1.245 nan 8.290 nan 0.000 0.513 456 A N -0.234 122.481 122.820 -0.176 0.000 2.783 456 A HA 0.191 4.511 4.320 -0.000 0.000 0.292 456 A C 1.458 179.079 177.584 0.061 0.000 1.495 456 A CA 1.712 53.752 52.037 0.005 0.000 0.787 456 A CB -1.902 17.201 19.000 0.171 0.000 1.017 456 A HN 2.539 nan 8.150 nan 0.000 0.516 457 S N -4.135 111.550 115.700 -0.025 0.000 3.482 457 S HA -0.207 4.262 4.470 -0.000 0.000 0.294 457 S C -0.084 174.563 174.600 0.079 0.000 1.244 457 S CA 2.252 60.483 58.200 0.052 0.000 0.911 457 S CB -2.346 60.911 63.200 0.096 0.000 1.070 457 S HN 2.498 nan 8.310 nan 0.000 0.614 458 Y N -1.929 118.364 120.300 -0.012 0.000 2.615 458 Y HA 0.863 5.413 4.550 -0.000 0.000 0.341 458 Y C -0.543 175.363 175.900 0.009 0.000 1.089 458 Y CA -1.241 56.822 58.100 -0.062 0.000 1.049 458 Y CB 1.119 39.533 38.460 -0.076 0.000 1.296 458 Y HN -0.029 nan 8.280 nan 0.000 0.470 459 S N 1.078 116.909 115.700 0.219 0.000 2.557 459 S HA 0.860 5.330 4.470 -0.000 0.000 0.291 459 S C -1.227 173.593 174.600 0.367 0.000 1.116 459 S CA -0.528 57.754 58.200 0.136 0.000 0.992 459 S CB 1.413 64.566 63.200 -0.080 0.000 1.028 459 S HN 1.034 nan 8.310 nan 0.000 0.484 460 A N 3.794 126.887 122.820 0.455 0.000 2.319 460 A HA 0.854 5.174 4.320 -0.000 0.000 0.310 460 A C -0.816 176.953 177.584 0.308 0.000 1.152 460 A CA -0.548 51.774 52.037 0.476 0.000 0.783 460 A CB 0.311 19.619 19.000 0.513 0.000 1.184 460 A HN 0.788 nan 8.150 nan 0.000 0.474 461 I N 1.599 122.335 120.570 0.276 0.000 2.533 461 I HA 0.400 4.570 4.170 -0.000 0.000 0.290 461 I C -0.370 175.881 176.117 0.223 0.000 1.056 461 I CA -0.427 61.007 61.300 0.222 0.000 1.057 461 I CB 2.756 40.871 38.000 0.193 0.000 1.240 461 I HN 0.492 nan 8.210 nan 0.000 0.423 462 T N 4.976 119.643 114.554 0.188 0.000 2.797 462 T HA 0.345 4.695 4.350 -0.000 0.000 0.279 462 T C -0.186 174.617 174.700 0.173 0.000 0.991 462 T CA -0.556 61.649 62.100 0.174 0.000 0.979 462 T CB 1.387 70.336 68.868 0.136 0.000 0.943 462 T HN 0.481 nan 8.240 nan 0.000 0.444 463 Q N 1.855 121.770 119.800 0.191 0.000 2.471 463 Q HA 0.252 4.591 4.340 -0.000 0.000 0.223 463 Q C 0.190 176.273 176.000 0.138 0.000 1.045 463 Q CA -0.417 55.489 55.803 0.172 0.000 0.956 463 Q CB 0.424 29.292 28.738 0.217 0.000 1.249 463 Q HN 0.404 nan 8.270 nan 0.000 0.549 464 N N 1.311 120.059 118.700 0.081 0.000 2.813 464 N HA 0.242 4.982 4.740 -0.000 0.000 0.282 464 N C -2.681 172.863 175.510 0.058 0.000 1.748 464 N CA -1.867 51.215 53.050 0.054 0.000 0.860 464 N CB 0.765 39.160 38.487 -0.152 0.000 1.204 464 N HN 0.259 nan 8.380 nan 0.000 0.490 465 P HA 0.227 nan 4.420 nan 0.000 0.279 465 P C -0.700 176.721 177.300 0.202 0.000 1.239 465 P CA -0.032 63.181 63.100 0.189 0.000 0.789 465 P CB 1.218 33.108 31.700 0.317 0.000 0.933 466 T N 0.237 114.721 114.554 -0.116 0.000 2.900 466 T HA 0.506 4.856 4.350 -0.000 0.000 0.295 466 T C -0.476 173.642 174.700 -0.971 0.000 1.044 466 T CA -0.974 60.809 62.100 -0.527 0.000 0.995 466 T CB 1.217 69.659 68.868 -0.711 0.000 1.072 466 T HN 0.208 nan 8.240 nan 0.000 0.473 467 L N 2.314 122.574 121.223 -1.604 0.000 2.326 467 L HA 0.552 4.891 4.340 -0.000 0.000 0.278 467 L C -0.537 175.783 176.870 -0.917 0.000 1.092 467 L CA -0.166 53.814 54.840 -1.434 0.000 0.810 467 L CB 0.555 41.652 42.059 -1.604 0.000 1.153 467 L HN 0.729 nan 8.230 nan 0.000 0.439 468 N N 3.993 122.082 118.700 -1.019 0.000 2.352 468 N HA 0.446 5.186 4.740 -0.000 0.000 0.291 468 N C -1.632 173.403 175.510 -0.790 0.000 1.040 468 N CA -0.434 52.023 53.050 -0.987 0.000 0.864 468 N CB 2.497 39.983 38.487 -1.669 0.000 1.440 468 N HN 0.300 nan 8.380 nan 0.000 0.483 469 V N 2.204 121.905 119.914 -0.355 0.000 2.409 469 V HA 0.498 4.618 4.120 -0.000 0.000 0.291 469 V C 0.153 176.337 176.094 0.150 0.000 1.020 469 V CA -0.698 61.537 62.300 -0.109 0.000 0.848 469 V CB 1.811 33.631 31.823 -0.004 0.000 0.990 469 V HN 0.604 nan 8.190 nan 0.000 0.430 470 R N 4.576 125.229 120.500 0.255 0.000 2.686 470 R HA 0.779 5.118 4.340 -0.000 0.000 0.286 470 R C -1.651 174.983 176.300 0.557 0.000 0.969 470 R CA -0.501 55.819 56.100 0.367 0.000 0.898 470 R CB 2.139 32.623 30.300 0.307 0.000 1.183 470 R HN 0.652 nan 8.270 nan 0.000 0.456 471 F N 2.267 122.473 119.950 0.428 0.000 2.613 471 F HA 0.691 5.218 4.527 -0.000 0.000 0.314 471 F C -1.657 174.433 175.800 0.483 0.000 1.075 471 F CA -1.252 57.041 58.000 0.490 0.000 0.945 471 F CB 1.359 40.730 39.000 0.617 0.000 1.310 471 F HN 0.291 nan 8.300 nan 0.000 0.467 472 I N 2.174 122.948 120.570 0.340 0.000 2.466 472 I HA 0.359 4.529 4.170 -0.000 0.000 0.289 472 I C -0.855 175.480 176.117 0.363 0.000 1.026 472 I CA -0.752 60.648 61.300 0.166 0.000 1.078 472 I CB 2.114 40.226 38.000 0.187 0.000 1.249 472 I HN 0.746 nan 8.210 nan 0.000 0.429 473 S N 4.059 119.952 115.700 0.322 0.000 2.566 473 S HA 0.431 4.901 4.470 -0.000 0.000 0.324 473 S C -0.389 174.459 174.600 0.413 0.000 1.081 473 S CA -0.337 58.161 58.200 0.497 0.000 1.105 473 S CB 0.671 64.251 63.200 0.633 0.000 0.981 473 S HN 0.559 nan 8.310 nan 0.000 0.464 474 T N 6.557 121.366 114.554 0.424 0.000 2.738 474 T HA 0.426 4.776 4.350 -0.000 0.000 0.298 474 T C -0.094 174.830 174.700 0.373 0.000 0.962 474 T CA -0.186 62.122 62.100 0.345 0.000 0.972 474 T CB -0.093 68.978 68.868 0.339 0.000 0.928 474 T HN 0.582 nan 8.240 nan 0.000 0.474 475 I N 3.792 124.528 120.570 0.277 0.000 2.428 475 I HA 0.423 4.593 4.170 -0.000 0.000 0.279 475 I C 1.275 177.452 176.117 0.099 0.000 1.040 475 I CA -0.405 61.020 61.300 0.208 0.000 1.171 475 I CB 0.395 38.541 38.000 0.243 0.000 1.312 475 I HN 0.879 nan 8.210 nan 0.000 0.470 476 G N 6.421 115.287 108.800 0.109 0.000 2.574 476 G HA2 -0.318 3.641 3.960 -0.000 0.000 0.301 476 G HA3 -0.318 3.641 3.960 -0.000 0.000 0.301 476 G C 0.257 175.209 174.900 0.087 0.000 1.166 476 G CA 0.375 45.507 45.100 0.053 0.000 0.971 476 G HN 0.708 nan 8.290 nan 0.000 0.542 480 Y N 1.299 121.601 120.300 0.003 0.000 2.335 480 Y HA 0.454 5.003 4.550 -0.000 0.000 0.339 480 Y C 0.453 176.001 175.900 -0.586 0.000 0.987 480 Y CA -0.817 57.094 58.100 -0.315 0.000 1.140 480 Y CB 1.043 39.226 38.460 -0.461 0.000 1.173 480 Y HN 0.231 nan 8.280 nan 0.000 0.486 481 N N 4.474 122.883 118.700 -0.484 0.000 2.501 481 N HA 0.261 5.001 4.740 -0.000 0.000 0.245 481 N C -1.769 173.377 175.510 -0.607 0.000 0.974 481 N CA -0.408 52.307 53.050 -0.558 0.000 0.941 481 N CB 0.135 38.112 38.487 -0.850 0.000 1.122 481 N HN 0.384 nan 8.380 nan 0.000 0.507 482 F N 2.884 122.683 119.950 -0.252 0.000 2.420 482 F HA 0.490 5.016 4.527 -0.000 0.000 0.342 482 F C 0.242 175.955 175.800 -0.145 0.000 1.113 482 F CA -0.976 56.897 58.000 -0.212 0.000 1.059 482 F CB 1.425 40.296 39.000 -0.216 0.000 1.128 482 F HN 0.213 nan 8.300 nan 0.000 0.475 483 L N 4.179 125.317 121.223 -0.142 0.000 2.401 483 L HA 0.579 4.919 4.340 -0.000 0.000 0.266 483 L C -1.915 174.618 176.870 -0.562 0.000 0.991 483 L CA -0.841 53.885 54.840 -0.190 0.000 0.818 483 L CB 1.567 43.518 42.059 -0.181 0.000 1.321 483 L HN 0.451 nan 8.230 nan 0.000 0.413 484 Y N 3.825 123.963 120.300 -0.269 0.000 2.332 484 Y HA 0.516 5.066 4.550 -0.000 0.000 0.326 484 Y C -0.323 175.206 175.900 -0.618 0.000 0.978 484 Y CA -0.548 57.229 58.100 -0.537 0.000 1.205 484 Y CB 1.655 39.748 38.460 -0.612 0.000 1.131 484 Y HN 0.421 nan 8.280 nan 0.000 0.462 485 K N 4.365 124.380 120.400 -0.641 0.000 2.358 485 K HA 0.569 4.889 4.320 -0.000 0.000 0.260 485 K C -1.891 174.249 176.600 -0.767 0.000 0.956 485 K CA -0.513 55.401 56.287 -0.620 0.000 0.834 485 K CB 0.770 32.971 32.500 -0.499 0.000 1.102 485 K HN 0.467 nan 8.250 nan 0.000 0.431 486 F N 4.215 123.695 119.950 -0.783 0.000 2.458 486 F HA 0.475 5.001 4.527 -0.000 0.000 0.336 486 F C -0.279 175.302 175.800 -0.365 0.000 1.114 486 F CA -0.585 56.998 58.000 -0.694 0.000 0.987 486 F CB 0.944 39.264 39.000 -1.132 0.000 1.130 486 F HN 0.355 nan 8.300 nan 0.000 0.458 487 F N 1.917 122.056 119.950 0.315 0.000 2.541 487 F HA 0.405 4.931 4.527 -0.000 0.000 0.331 487 F C 1.131 177.335 175.800 0.673 0.000 1.057 487 F CA -0.853 57.419 58.000 0.453 0.000 0.975 487 F CB 1.255 40.397 39.000 0.236 0.000 1.246 487 F HN 0.306 nan 8.300 nan 0.000 0.484 488 L N 0.840 122.478 121.223 0.691 0.000 2.265 488 L HA -0.177 4.163 4.340 -0.000 0.000 0.215 488 L C 1.838 178.939 176.870 0.386 0.000 1.117 488 L CA 1.218 56.330 54.840 0.454 0.000 0.782 488 L CB -0.403 41.826 42.059 0.283 0.000 0.914 488 L HN 0.692 nan 8.230 nan 0.000 0.441 489 D N -1.128 119.455 120.400 0.305 0.000 2.350 489 D HA -0.006 4.634 4.640 -0.000 0.000 0.213 489 D C 1.398 177.645 176.300 -0.088 0.000 1.031 489 D CA 0.992 55.103 54.000 0.185 0.000 0.861 489 D CB 0.696 41.584 40.800 0.145 0.000 0.926 489 D HN 0.272 nan 8.370 nan 0.000 0.520 490 G N -0.137 108.403 108.800 -0.434 0.000 2.192 490 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.193 490 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.193 490 G C 0.230 175.184 174.900 0.091 0.000 0.999 490 G CA 0.057 44.590 45.100 -0.946 0.000 0.659 490 G HN 0.385 nan 8.290 nan 0.000 0.503 491 T N 0.981 115.700 114.554 0.274 0.000 2.889 491 T HA 0.618 4.968 4.350 -0.000 0.000 0.291 491 T C -0.377 174.534 174.700 0.352 0.000 0.995 491 T CA 0.152 62.393 62.100 0.234 0.000 1.092 491 T CB 1.935 70.756 68.868 -0.079 0.000 0.954 491 T HN 0.819 nan 8.240 nan 0.000 0.506 492 L N 2.663 123.947 121.223 0.101 0.000 2.385 492 L HA 0.596 4.936 4.340 -0.000 0.000 0.273 492 L C -0.593 176.107 176.870 -0.283 0.000 0.990 492 L CA -0.526 54.144 54.840 -0.283 0.000 0.821 492 L CB 1.856 43.586 42.059 -0.549 0.000 1.279 492 L HN 0.660 nan 8.230 nan 0.000 0.412 493 E N 3.928 123.926 120.200 -0.337 0.000 2.171 493 E HA 0.584 4.934 4.350 -0.000 0.000 0.271 493 E C -1.776 174.427 176.600 -0.662 0.000 0.916 493 E CA -0.750 55.419 56.400 -0.386 0.000 0.774 493 E CB 1.949 31.583 29.700 -0.110 0.000 1.128 493 E HN 0.559 nan 8.360 nan 0.000 0.403 494 V N 3.793 123.134 119.914 -0.954 0.000 2.417 494 V HA 0.446 4.566 4.120 -0.000 0.000 0.291 494 V C -0.238 175.298 176.094 -0.931 0.000 1.024 494 V CA -0.337 61.255 62.300 -1.180 0.000 0.861 494 V CB 1.292 32.072 31.823 -1.738 0.000 0.985 494 V HN 0.778 nan 8.190 nan 0.000 0.436 495 S N 3.871 119.160 115.700 -0.686 0.000 2.607 495 S HA 0.861 5.330 4.470 -0.000 0.000 0.273 495 S C -1.259 173.226 174.600 -0.190 0.000 1.148 495 S CA -0.783 57.200 58.200 -0.361 0.000 0.833 495 S CB 2.107 65.203 63.200 -0.175 0.000 1.130 495 S HN 0.806 nan 8.310 nan 0.000 0.470 496 V N 0.834 120.706 119.914 -0.069 0.000 2.925 496 V HA 0.776 4.896 4.120 -0.000 0.000 0.311 496 V C -1.523 174.567 176.094 -0.008 0.000 1.104 496 V CA -0.699 61.559 62.300 -0.070 0.000 0.954 496 V CB 2.113 33.944 31.823 0.013 0.000 1.022 496 V HN 1.068 nan 8.190 nan 0.000 0.427 497 R N 3.550 123.994 120.500 -0.093 0.000 2.750 497 R HA 0.880 5.220 4.340 -0.000 0.000 0.281 497 R C -0.961 175.435 176.300 0.160 0.000 0.972 497 R CA -0.399 55.728 56.100 0.045 0.000 0.912 497 R CB 2.245 32.516 30.300 -0.047 0.000 1.187 497 R HN 0.901 nan 8.270 nan 0.000 0.464 498 A N 1.135 124.073 122.820 0.196 0.000 2.356 498 A HA 0.948 5.268 4.320 -0.000 0.000 0.323 498 A C -1.060 176.413 177.584 -0.185 0.000 1.119 498 A CA -0.318 51.734 52.037 0.025 0.000 0.790 498 A CB 1.769 20.633 19.000 -0.228 0.000 1.273 498 A HN 0.810 nan 8.150 nan 0.000 0.452 499 A N -0.255 122.296 122.820 -0.448 0.000 2.594 499 A HA 1.017 5.337 4.320 -0.000 0.000 0.307 499 A C 0.326 177.653 177.584 -0.428 0.000 1.203 499 A CA 0.185 51.808 52.037 -0.690 0.000 0.644 499 A CB 0.208 18.252 19.000 -1.594 0.000 1.349 499 A HN 2.900 nan 8.150 nan 0.000 0.510 500 G N -2.129 106.428 108.800 -0.406 0.000 2.526 500 G HA2 0.194 4.153 3.960 -0.000 0.000 0.250 500 G HA3 0.194 4.153 3.960 -0.000 0.000 0.250 500 G C -0.808 173.948 174.900 -0.240 0.000 1.289 500 G CA -0.240 44.681 45.100 -0.299 0.000 0.947 500 G HN 1.373 nan 8.290 nan 0.000 0.517 501 Y N 0.725 120.999 120.300 -0.043 0.000 2.335 501 Y HA 0.495 5.044 4.550 -0.000 0.000 0.331 501 Y C 1.709 177.644 175.900 0.059 0.000 1.094 501 Y CA -0.038 58.063 58.100 0.001 0.000 1.253 501 Y CB 0.747 39.199 38.460 -0.014 0.000 1.203 501 Y HN 0.634 nan 8.280 nan 0.000 0.508 502 I N 0.479 121.211 120.570 0.270 0.000 2.823 502 I HA 0.222 4.392 4.170 -0.000 0.000 0.290 502 I C -0.026 176.219 176.117 0.213 0.000 1.091 502 I CA -0.861 60.581 61.300 0.237 0.000 1.365 502 I CB 0.843 38.969 38.000 0.210 0.000 1.427 502 I HN 0.582 nan 8.210 nan 0.000 0.583 503 Q N 4.085 124.003 119.800 0.196 0.000 2.472 503 Q HA 0.474 4.814 4.340 -0.000 0.000 0.227 503 Q C -0.240 175.872 176.000 0.186 0.000 1.156 503 Q CA -0.490 55.403 55.803 0.151 0.000 0.924 503 Q CB 0.606 29.353 28.738 0.016 0.000 1.354 503 Q HN 0.881 nan 8.270 nan 0.000 0.525 504 A N 2.690 125.627 122.820 0.195 0.000 2.275 504 A HA 0.866 5.185 4.320 -0.000 0.000 0.282 504 A C 0.288 178.011 177.584 0.232 0.000 1.275 504 A CA 0.144 52.316 52.037 0.225 0.000 0.842 504 A CB 0.685 19.818 19.000 0.222 0.000 1.280 504 A HN 0.759 nan 8.150 nan 0.000 0.508 505 G N -2.821 106.134 108.800 0.260 0.000 2.660 505 G HA2 0.480 4.440 3.960 -0.000 0.000 0.294 505 G HA3 0.480 4.440 3.960 -0.000 0.000 0.294 505 G C -1.325 173.767 174.900 0.320 0.000 1.369 505 G CA -0.522 44.754 45.100 0.294 0.000 0.912 505 G HN 0.721 nan 8.290 nan 0.000 0.479 506 Y N 0.958 121.414 120.300 0.261 0.000 2.511 506 Y HA 0.270 4.819 4.550 -0.000 0.000 0.332 506 Y C 0.280 176.348 175.900 0.280 0.000 1.177 506 Y CA -0.558 57.693 58.100 0.253 0.000 1.422 506 Y CB 0.698 39.283 38.460 0.208 0.000 1.271 506 Y HN 0.515 nan 8.280 nan 0.000 0.550 507 W N 9.718 130.689 121.300 -0.547 0.000 2.357 507 W HA 0.181 4.841 4.660 -0.001 0.000 0.317 507 W C -1.063 175.317 176.519 -0.232 0.000 1.101 507 W CA -0.773 56.399 57.345 -0.289 0.000 1.380 507 W CB 0.531 29.841 29.460 -0.250 0.000 1.266 507 W HN 0.598 nan 8.180 nan 0.000 0.419 508 N N 8.360 126.813 118.700 -0.411 0.000 2.457 508 N HA 0.213 4.953 4.740 -0.000 0.000 0.250 508 N C -1.713 173.351 175.510 -0.744 0.000 0.982 508 N CA -2.137 50.733 53.050 -0.300 0.000 0.941 508 N CB 1.807 40.263 38.487 -0.052 0.000 1.120 508 N HN 0.149 nan 8.380 nan 0.000 0.505 509 P HA -0.101 nan 4.420 nan 0.000 0.219 509 P C 0.564 177.690 177.300 -0.290 0.000 1.146 509 P CA 1.236 64.080 63.100 -0.425 0.000 0.808 509 P CB 0.525 32.230 31.700 0.008 0.000 0.779 510 E N -0.993 119.080 120.200 -0.212 0.000 2.152 510 E HA -0.079 4.271 4.350 -0.000 0.000 0.192 510 E C 1.307 177.820 176.600 -0.145 0.000 0.983 510 E CA 1.794 58.113 56.400 -0.135 0.000 0.818 510 E CB -0.161 29.483 29.700 -0.093 0.000 0.758 510 E HN 0.406 nan 8.360 nan 0.000 0.467 511 T N -4.230 110.204 114.554 -0.201 0.000 3.009 511 T HA 0.173 4.523 4.350 -0.000 0.000 0.267 511 T C 1.663 176.298 174.700 -0.110 0.000 0.942 511 T CA -0.263 61.764 62.100 -0.121 0.000 0.883 511 T CB 0.377 69.196 68.868 -0.081 0.000 1.192 511 T HN -0.154 nan 8.240 nan 0.000 0.524 512 S N 1.562 117.055 115.700 -0.346 0.000 2.461 512 S HA 0.338 4.808 4.470 -0.000 0.000 0.228 512 S C 2.384 176.896 174.600 -0.146 0.000 1.005 512 S CA 0.633 58.655 58.200 -0.297 0.000 0.942 512 S CB -0.326 62.501 63.200 -0.622 0.000 0.776 512 S HN 0.719 nan 8.310 nan 0.000 0.514 513 A N 2.491 125.168 122.820 -0.239 0.000 1.933 513 A HA 0.002 4.322 4.320 -0.000 0.000 0.218 513 A C -0.232 177.354 177.584 0.004 0.000 1.175 513 A CA 1.096 53.154 52.037 0.036 0.000 0.628 513 A CB -1.712 17.337 19.000 0.083 0.000 0.814 513 A HN 0.383 nan 8.150 nan 0.000 0.444 514 P HA -0.063 nan 4.420 nan 0.000 0.234 514 P C -0.145 176.841 177.300 -0.523 0.000 1.167 514 P CA 0.972 63.823 63.100 -0.415 0.000 0.763 514 P CB -0.107 31.180 31.700 -0.689 0.000 0.835 515 Y N -1.813 118.523 120.300 0.060 0.000 2.675 515 Y HA 0.557 5.107 4.550 -0.000 0.000 0.248 515 Y C 1.132 177.141 175.900 0.181 0.000 1.161 515 Y CA -0.235 57.946 58.100 0.135 0.000 1.203 515 Y CB 0.913 39.442 38.460 0.116 0.000 1.262 515 Y HN -0.154 nan 8.280 nan 0.000 0.544 516 G N -0.119 108.836 108.800 0.258 0.000 2.340 516 G HA2 0.393 4.353 3.960 -0.000 0.000 0.298 516 G HA3 0.393 4.353 3.960 -0.000 0.000 0.298 516 G C -1.872 173.189 174.900 0.269 0.000 1.498 516 G CA -1.112 44.142 45.100 0.256 0.000 0.847 516 G HN -0.012 nan 8.290 nan 0.000 0.594 517 L N 0.442 121.746 121.223 0.136 0.000 2.357 517 L HA 0.524 4.863 4.340 -0.000 0.000 0.273 517 L C 0.815 177.588 176.870 -0.162 0.000 1.080 517 L CA -0.903 53.941 54.840 0.006 0.000 0.803 517 L CB 1.625 43.654 42.059 -0.050 0.000 1.174 517 L HN 0.568 nan 8.230 nan 0.000 0.443 518 K N 3.206 123.228 120.400 -0.629 0.000 2.338 518 K HA 0.191 4.510 4.320 -0.000 0.000 0.290 518 K C 0.662 176.982 176.600 -0.467 0.000 1.069 518 K CA -0.122 55.584 56.287 -0.967 0.000 0.941 518 K CB 0.413 31.845 32.500 -1.780 0.000 1.023 518 K HN 0.694 nan 8.250 nan 0.000 0.477 519 I N 0.554 120.960 120.570 -0.272 0.000 4.139 519 I HA 0.268 4.438 4.170 -0.000 0.000 0.335 519 I C 0.356 176.398 176.117 -0.124 0.000 1.327 519 I CA -0.494 60.720 61.300 -0.144 0.000 1.112 519 I CB 0.125 38.110 38.000 -0.024 0.000 1.058 519 I HN 0.537 nan 8.210 nan 0.000 0.396 520 H N 0.797 119.660 119.070 -0.344 0.000 2.918 520 H HA 0.165 4.720 4.556 -0.000 0.000 0.303 520 H C -0.408 174.671 175.328 -0.414 0.000 1.380 520 H CA -0.265 55.498 56.048 -0.475 0.000 1.134 520 H CB 1.899 31.185 29.762 -0.793 0.000 1.842 520 H HN -0.092 nan 8.280 nan 0.000 0.533 521 D N 0.468 120.438 120.400 -0.716 0.000 2.157 521 D HA -0.144 4.496 4.640 -0.000 0.000 0.191 521 D C 1.489 177.662 176.300 -0.213 0.000 1.004 521 D CA 2.561 56.317 54.000 -0.408 0.000 0.854 521 D CB 0.129 40.737 40.800 -0.321 0.000 0.936 521 D HN 0.252 nan 8.370 nan 0.000 0.446 522 V N -2.033 117.806 119.914 -0.125 0.000 2.841 522 V HA 0.461 4.581 4.120 -0.000 0.000 0.363 522 V C -0.539 175.452 176.094 -0.172 0.000 1.330 522 V CA -0.776 61.423 62.300 -0.168 0.000 1.207 522 V CB 0.121 31.856 31.823 -0.148 0.000 1.318 522 V HN -0.030 nan 8.190 nan 0.000 0.603 523 L N 1.125 122.310 121.223 -0.064 0.000 2.385 523 L HA 0.839 5.178 4.340 -0.000 0.000 0.273 523 L C -0.119 176.801 176.870 0.084 0.000 0.990 523 L CA -0.105 54.767 54.840 0.053 0.000 0.821 523 L CB 2.159 44.278 42.059 0.100 0.000 1.279 523 L HN 0.305 nan 8.230 nan 0.000 0.412 524 S N 2.241 118.083 115.700 0.236 0.000 2.475 524 S HA 0.546 5.015 4.470 -0.000 0.000 0.298 524 S C 1.149 175.890 174.600 0.236 0.000 1.119 524 S CA -0.044 58.343 58.200 0.311 0.000 1.085 524 S CB 1.434 64.935 63.200 0.501 0.000 1.028 524 S HN 0.896 nan 8.310 nan 0.000 0.489 525 G N 2.288 111.199 108.800 0.184 0.000 2.559 525 G HA2 0.119 4.079 3.960 -0.000 0.000 0.216 525 G HA3 0.119 4.079 3.960 -0.000 0.000 0.216 525 G C 0.662 175.707 174.900 0.242 0.000 1.126 525 G CA 0.616 45.819 45.100 0.171 0.000 0.778 525 G HN 1.285 nan 8.290 nan 0.000 0.543 526 S N -2.051 113.827 115.700 0.297 0.000 3.460 526 S HA -0.188 4.282 4.470 -0.000 0.000 0.637 526 S C -0.537 174.326 174.600 0.438 0.000 2.505 526 S CA 0.689 59.115 58.200 0.376 0.000 2.686 526 S CB -1.056 62.391 63.200 0.411 0.000 0.330 526 S HN 1.065 nan 8.310 nan 0.000 1.795 527 F N 3.052 123.160 119.950 0.263 0.000 2.605 527 F HA 0.604 5.131 4.527 -0.000 0.000 0.320 527 F C -0.259 175.574 175.800 0.056 0.000 1.159 527 F CA -0.358 57.717 58.000 0.125 0.000 0.999 527 F CB 1.357 40.418 39.000 0.102 0.000 1.258 527 F HN 0.887 nan 8.300 nan 0.000 0.464 528 H N 2.507 121.362 119.070 -0.359 0.000 3.017 528 H HA 0.436 4.992 4.556 -0.000 0.000 0.346 528 H C -2.108 172.895 175.328 -0.540 0.000 1.286 528 H CA -1.093 54.502 56.048 -0.755 0.000 1.120 528 H CB 1.901 30.792 29.762 -1.452 0.000 1.860 528 H HN 0.398 nan 8.280 nan 0.000 0.542 529 D N 1.064 121.162 120.400 -0.504 0.000 2.217 529 D HA 0.250 4.890 4.640 -0.000 0.000 0.243 529 D C -0.279 175.891 176.300 -0.217 0.000 1.054 529 D CA -0.278 53.552 54.000 -0.283 0.000 0.838 529 D CB 1.163 41.844 40.800 -0.197 0.000 1.162 529 D HN 0.389 nan 8.370 nan 0.000 0.472 530 H N 0.717 119.808 119.070 0.036 0.000 2.489 530 H HA 0.470 5.025 4.556 -0.001 0.000 0.322 530 H C -0.435 174.957 175.328 0.107 0.000 1.091 530 H CA -0.508 55.626 56.048 0.144 0.000 1.291 530 H CB 1.461 31.355 29.762 0.220 0.000 1.436 530 H HN 0.027 nan 8.280 nan 0.000 0.480 531 V N 4.853 124.929 119.914 0.271 0.000 2.709 531 V HA 0.285 4.404 4.120 -0.000 0.000 0.308 531 V C -0.555 175.797 176.094 0.429 0.000 1.062 531 V CA -0.840 61.647 62.300 0.311 0.000 0.901 531 V CB 2.137 34.105 31.823 0.242 0.000 1.003 531 V HN 0.404 nan 8.190 nan 0.000 0.425 532 L N 3.607 125.042 121.223 0.354 0.000 2.365 532 L HA 0.567 4.907 4.340 -0.000 0.000 0.273 532 L C -0.040 176.837 176.870 0.011 0.000 1.000 532 L CA -0.159 54.764 54.840 0.138 0.000 0.819 532 L CB 1.830 43.954 42.059 0.109 0.000 1.284 532 L HN 0.707 nan 8.230 nan 0.000 0.418 533 N N 1.583 119.982 118.700 -0.501 0.000 2.372 533 N HA 0.385 5.125 4.740 -0.000 0.000 0.291 533 N C -1.771 173.483 175.510 -0.428 0.000 1.024 533 N CA -0.403 52.327 53.050 -0.533 0.000 0.873 533 N CB 1.238 38.908 38.487 -1.362 0.000 1.206 533 N HN 0.428 nan 8.380 nan 0.000 0.486 534 Y N 1.459 121.746 120.300 -0.023 0.000 2.341 534 Y HA 0.252 4.801 4.550 -0.000 0.000 0.338 534 Y C 0.361 176.260 175.900 -0.001 0.000 0.965 534 Y CA -0.783 57.335 58.100 0.030 0.000 1.108 534 Y CB 1.507 40.076 38.460 0.181 0.000 1.180 534 Y HN 0.321 nan 8.280 nan 0.000 0.458 535 K N 3.244 123.671 120.400 0.046 0.000 2.310 535 K HA 0.464 4.784 4.320 -0.000 0.000 0.290 535 K C -1.378 175.104 176.600 -0.198 0.000 1.077 535 K CA -0.228 55.892 56.287 -0.278 0.000 0.922 535 K CB 0.354 32.635 32.500 -0.365 0.000 1.057 535 K HN 0.537 nan 8.250 nan 0.000 0.479 536 V N 4.798 124.567 119.914 -0.242 0.000 2.257 536 V HA 0.042 4.162 4.120 -0.000 0.000 0.269 536 V C -0.383 175.608 176.094 -0.172 0.000 1.040 536 V CA -0.784 61.437 62.300 -0.132 0.000 0.813 536 V CB 0.794 32.581 31.823 -0.060 0.000 1.065 536 V HN 0.732 nan 8.190 nan 0.000 0.457 537 D N 4.618 124.932 120.400 -0.144 0.000 2.558 537 D HA 0.231 4.870 4.640 -0.000 0.000 0.221 537 D C 0.185 176.467 176.300 -0.030 0.000 1.143 537 D CA -0.088 53.869 54.000 -0.072 0.000 1.010 537 D CB 0.176 40.992 40.800 0.026 0.000 1.068 537 D HN 0.398 nan 8.370 nan 0.000 0.511 538 L N 2.053 123.248 121.223 -0.048 0.000 2.453 538 L HA 0.131 4.470 4.340 -0.000 0.000 0.272 538 L C 0.289 177.152 176.870 -0.012 0.000 1.182 538 L CA 0.433 55.244 54.840 -0.050 0.000 0.858 538 L CB 0.585 42.613 42.059 -0.051 0.000 1.120 538 L HN 0.145 nan 8.230 nan 0.000 0.474 539 D N 2.551 122.949 120.400 -0.003 0.000 2.400 539 D HA 0.221 4.861 4.640 -0.000 0.000 0.272 539 D C -0.773 175.556 176.300 0.048 0.000 1.220 539 D CA -0.158 53.860 54.000 0.031 0.000 0.897 539 D CB 1.448 42.282 40.800 0.056 0.000 1.134 539 D HN -0.006 nan 8.370 nan 0.000 0.507 540 V N 0.983 120.937 119.914 0.067 0.000 2.389 540 V HA 0.462 4.582 4.120 -0.000 0.000 0.264 540 V C 1.393 177.603 176.094 0.193 0.000 1.049 540 V CA -0.299 62.089 62.300 0.147 0.000 0.932 540 V CB 0.837 32.770 31.823 0.184 0.000 1.011 540 V HN 0.760 nan 8.190 nan 0.000 0.475 541 G N 3.783 112.728 108.800 0.242 0.000 2.314 541 G HA2 0.227 4.187 3.960 -0.000 0.000 0.292 541 G HA3 0.227 4.187 3.960 -0.000 0.000 0.292 541 G C 0.645 175.603 174.900 0.096 0.000 1.059 541 G CA 0.261 45.449 45.100 0.147 0.000 0.982 541 G HN 2.217 nan 8.290 nan 0.000 0.505 542 G N -1.875 106.982 108.800 0.095 0.000 2.541 542 G HA2 0.330 4.290 3.960 -0.000 0.000 0.686 542 G HA3 0.330 4.290 3.960 -0.000 0.000 0.686 542 G C 0.881 175.812 174.900 0.052 0.000 1.286 542 G CA 0.677 45.817 45.100 0.065 0.000 0.894 542 G HN 1.911 nan 8.290 nan 0.000 0.575 543 T N -1.879 112.691 114.554 0.027 0.000 2.942 543 T HA 0.120 4.469 4.350 -0.000 0.000 0.265 543 T C 1.237 175.946 174.700 0.016 0.000 1.062 543 T CA 1.744 63.846 62.100 0.003 0.000 1.139 543 T CB 0.044 68.890 68.868 -0.038 0.000 0.883 543 T HN 0.648 nan 8.240 nan 0.000 0.468 544 K N 2.203 122.618 120.400 0.024 0.000 2.338 544 K HA 0.212 4.531 4.320 -0.000 0.000 0.290 544 K C -0.731 175.894 176.600 0.042 0.000 1.069 544 K CA -0.094 56.211 56.287 0.030 0.000 0.941 544 K CB 0.001 32.518 32.500 0.028 0.000 1.023 544 K HN 0.468 nan 8.250 nan 0.000 0.477 545 N N 2.800 121.527 118.700 0.045 0.000 2.629 545 N HA 0.495 5.235 4.740 -0.000 0.000 0.279 545 N C -1.238 174.303 175.510 0.051 0.000 1.344 545 N CA -1.053 52.030 53.050 0.055 0.000 0.789 545 N CB 1.681 40.203 38.487 0.058 0.000 1.508 545 N HN 0.322 nan 8.380 nan 0.000 0.516 546 R N 0.099 120.631 120.500 0.055 0.000 2.837 546 R HA 0.730 5.070 4.340 -0.000 0.000 0.271 546 R C -1.389 174.938 176.300 0.046 0.000 0.993 546 R CA -0.890 55.238 56.100 0.045 0.000 0.931 546 R CB 2.049 32.373 30.300 0.038 0.000 1.206 546 R HN 0.529 nan 8.270 nan 0.000 0.474 547 A N 0.989 123.830 122.820 0.036 0.000 2.330 547 A HA 0.687 5.007 4.320 -0.000 0.000 0.327 547 A C -0.499 177.088 177.584 0.004 0.000 1.155 547 A CA -0.491 51.563 52.037 0.029 0.000 0.803 547 A CB 1.256 20.277 19.000 0.035 0.000 1.208 547 A HN 0.757 nan 8.150 nan 0.000 0.477 548 S N 1.063 116.757 115.700 -0.011 0.000 2.651 548 S HA 0.844 5.314 4.470 -0.000 0.000 0.279 548 S C -1.010 173.552 174.600 -0.064 0.000 1.148 548 S CA -0.833 57.333 58.200 -0.057 0.000 0.837 548 S CB 1.620 64.762 63.200 -0.097 0.000 1.138 548 S HN 1.063 nan 8.310 nan 0.000 0.478 549 K N 0.002 120.336 120.400 -0.109 0.000 2.464 549 K HA 0.538 4.858 4.320 -0.000 0.000 0.253 549 K C -2.084 174.428 176.600 -0.146 0.000 0.933 549 K CA -0.837 55.413 56.287 -0.061 0.000 0.801 549 K CB 1.177 33.673 32.500 -0.006 0.000 1.271 549 K HN 0.607 nan 8.250 nan 0.000 0.430 550 Y N 1.644 121.924 120.300 -0.034 0.000 2.425 550 Y HA 0.212 4.762 4.550 -0.000 0.000 0.347 550 Y C -0.130 175.779 175.900 0.015 0.000 0.976 550 Y CA -0.622 57.477 58.100 -0.001 0.000 1.190 550 Y CB 1.464 39.927 38.460 0.006 0.000 1.136 550 Y HN 0.288 nan 8.280 nan 0.000 0.517 551 V N 5.988 125.964 119.914 0.103 0.000 2.498 551 V HA 0.244 4.364 4.120 -0.000 0.000 0.279 551 V C 0.113 176.268 176.094 0.101 0.000 1.048 551 V CA -0.537 61.812 62.300 0.082 0.000 0.967 551 V CB 0.925 32.772 31.823 0.040 0.000 0.988 551 V HN 0.715 nan 8.190 nan 0.000 0.473 552 M N 6.655 126.309 119.600 0.089 0.000 2.205 552 M HA 0.568 5.047 4.480 -0.000 0.000 0.344 552 M C -0.366 175.971 176.300 0.062 0.000 1.085 552 M CA -0.341 55.007 55.300 0.081 0.000 1.001 552 M CB 1.482 34.126 32.600 0.075 0.000 1.626 552 M HN 0.724 nan 8.290 nan 0.000 0.442 553 K N 1.492 121.927 120.400 0.058 0.000 2.536 553 K HA 0.489 4.809 4.320 -0.000 0.000 0.269 553 K C -1.760 174.868 176.600 0.046 0.000 0.965 553 K CA -1.074 55.241 56.287 0.047 0.000 0.860 553 K CB 2.032 34.556 32.500 0.040 0.000 1.423 553 K HN 0.677 nan 8.250 nan 0.000 0.438 554 D N 1.248 121.672 120.400 0.040 0.000 2.255 554 D HA 0.371 5.011 4.640 -0.000 0.000 0.249 554 D C -0.092 176.228 176.300 0.034 0.000 1.078 554 D CA -0.491 53.534 54.000 0.042 0.000 0.896 554 D CB 1.746 42.570 40.800 0.041 0.000 1.194 554 D HN 0.461 nan 8.370 nan 0.000 0.429 555 V N -1.716 118.219 119.914 0.034 0.000 3.087 555 V HA 0.468 4.587 4.120 -0.000 0.000 0.306 555 V C -1.342 174.760 176.094 0.013 0.000 1.187 555 V CA -1.105 61.206 62.300 0.017 0.000 0.999 555 V CB 2.087 33.915 31.823 0.009 0.000 1.049 555 V HN 0.444 nan 8.190 nan 0.000 0.431 556 D N 2.090 122.487 120.400 -0.005 0.000 2.198 556 D HA 0.723 5.363 4.640 -0.000 0.000 0.245 556 D C -0.009 176.252 176.300 -0.064 0.000 1.079 556 D CA 0.114 54.105 54.000 -0.015 0.000 0.854 556 D CB 1.933 42.723 40.800 -0.016 0.000 1.148 556 D HN 1.135 nan 8.370 nan 0.000 0.456 557 V N -0.819 119.027 119.914 -0.112 0.000 3.159 557 V HA 0.661 4.781 4.120 -0.000 0.000 0.308 557 V C -0.793 175.109 176.094 -0.320 0.000 1.190 557 V CA -0.986 61.161 62.300 -0.255 0.000 1.037 557 V CB 2.430 34.000 31.823 -0.421 0.000 1.060 557 V HN 0.477 nan 8.190 nan 0.000 0.437 558 E N 0.803 120.775 120.200 -0.381 0.000 2.238 558 E HA 0.564 4.913 4.350 -0.000 0.000 0.267 558 E C -1.969 174.289 176.600 -0.570 0.000 0.887 558 E CA -0.750 55.440 56.400 -0.351 0.000 0.769 558 E CB 2.219 31.817 29.700 -0.171 0.000 1.187 558 E HN 0.760 nan 8.360 nan 0.000 0.416 559 Y N 2.941 122.968 120.300 -0.454 0.000 2.420 559 Y HA 0.284 4.833 4.550 -0.001 0.000 0.334 559 Y C -1.329 174.201 175.900 -0.617 0.000 1.094 559 Y CA -1.971 55.678 58.100 -0.752 0.000 1.126 559 Y CB 1.394 38.797 38.460 -1.761 0.000 1.217 559 Y HN 0.520 nan 8.280 nan 0.000 0.462 560 P HA -0.184 nan 4.420 nan 0.000 0.219 560 P C 0.871 178.157 177.300 -0.023 0.000 1.146 560 P CA 1.755 64.795 63.100 -0.100 0.000 0.808 560 P CB 0.022 31.724 31.700 0.003 0.000 0.779 561 W N -0.855 120.501 121.300 0.093 0.000 3.256 561 W HA 0.593 5.253 4.660 -0.001 0.000 0.269 561 W C -0.230 176.336 176.519 0.079 0.000 1.310 561 W CA 0.027 57.405 57.345 0.054 0.000 1.673 561 W CB -0.284 29.176 29.460 -0.000 0.000 1.115 561 W HN -0.080 nan 8.180 nan 0.000 0.686 562 A N 1.798 124.641 122.820 0.038 0.000 3.266 562 A HA 0.483 4.802 4.320 -0.000 0.000 0.310 562 A C -2.781 174.825 177.584 0.038 0.000 1.066 562 A CA -1.104 51.015 52.037 0.137 0.000 0.839 562 A CB 0.034 19.197 19.000 0.271 0.000 1.192 562 A HN -0.232 nan 8.150 nan 0.000 0.496 563 P HA 0.305 nan 4.420 nan 0.000 0.265 563 P C 1.267 178.574 177.300 0.011 0.000 1.193 563 P CA 2.121 65.222 63.100 0.002 0.000 0.765 563 P CB 0.865 32.575 31.700 0.015 0.000 0.823 564 G N 1.817 110.611 108.800 -0.009 0.000 2.205 564 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.261 564 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.261 564 G C 0.196 175.093 174.900 -0.004 0.000 0.980 564 G CA 0.237 45.333 45.100 -0.007 0.000 0.632 564 G HN 0.599 nan 8.290 nan 0.000 0.533 565 T N 1.692 116.257 114.554 0.019 0.000 2.738 565 T HA 0.527 4.877 4.350 -0.000 0.000 0.298 565 T C 0.386 175.102 174.700 0.026 0.000 0.962 565 T CA -0.304 61.806 62.100 0.017 0.000 0.972 565 T CB 2.089 71.011 68.868 0.090 0.000 0.928 565 T HN 0.380 nan 8.240 nan 0.000 0.474 566 V N 4.938 124.826 119.914 -0.043 0.000 2.488 566 V HA 0.271 4.391 4.120 -0.000 0.000 0.277 566 V C -0.589 175.474 176.094 -0.052 0.000 1.046 566 V CA -0.465 61.821 62.300 -0.025 0.000 0.986 566 V CB -0.105 31.693 31.823 -0.042 0.000 0.989 566 V HN 0.715 nan 8.190 nan 0.000 0.475 567 Y N 2.892 123.167 120.300 -0.041 0.000 2.377 567 Y HA 0.330 4.879 4.550 -0.000 0.000 0.339 567 Y C 0.622 176.527 175.900 0.009 0.000 1.011 567 Y CA -0.714 57.408 58.100 0.036 0.000 1.093 567 Y CB 1.366 39.928 38.460 0.170 0.000 1.201 567 Y HN 0.606 nan 8.280 nan 0.000 0.455 568 N N 2.037 120.838 118.700 0.169 0.000 2.414 568 N HA 0.227 4.967 4.740 -0.000 0.000 0.256 568 N C -0.648 174.960 175.510 0.162 0.000 1.029 568 N CA 0.246 53.364 53.050 0.115 0.000 0.948 568 N CB 0.819 39.346 38.487 0.068 0.000 1.102 568 N HN 0.787 nan 8.380 nan 0.000 0.496 569 T N 1.586 116.222 114.554 0.138 0.000 2.604 569 T HA 0.470 4.820 4.350 -0.000 0.000 0.267 569 T C -1.516 173.243 174.700 0.099 0.000 0.923 569 T CA -0.546 61.642 62.100 0.148 0.000 1.077 569 T CB 0.990 69.981 68.868 0.205 0.000 1.392 569 T HN 0.608 nan 8.240 nan 0.000 0.531 570 K N 0.867 121.325 120.400 0.097 0.000 2.469 570 K HA 0.734 5.053 4.320 -0.000 0.000 0.254 570 K C -1.199 175.448 176.600 0.079 0.000 0.939 570 K CA -0.946 55.386 56.287 0.076 0.000 0.812 570 K CB 2.336 34.877 32.500 0.068 0.000 1.301 570 K HN 0.577 nan 8.250 nan 0.000 0.433 571 Q N 1.326 121.169 119.800 0.071 0.000 2.484 571 Q HA 0.552 4.892 4.340 -0.000 0.000 0.285 571 Q C -0.796 175.258 176.000 0.090 0.000 1.097 571 Q CA -1.215 54.635 55.803 0.078 0.000 0.802 571 Q CB 2.609 31.387 28.738 0.067 0.000 1.444 571 Q HN 0.746 nan 8.270 nan 0.000 0.429 572 I N -1.912 118.727 120.570 0.115 0.000 2.648 572 I HA 0.950 5.119 4.170 -0.000 0.000 0.304 572 I C -0.929 175.285 176.117 0.160 0.000 1.009 572 I CA -0.984 60.416 61.300 0.165 0.000 1.114 572 I CB 2.056 40.197 38.000 0.236 0.000 1.293 572 I HN 0.513 nan 8.210 nan 0.000 0.449 573 A N 4.182 127.086 122.820 0.140 0.000 2.408 573 A HA 0.625 4.945 4.320 -0.000 0.000 0.295 573 A C -0.680 176.867 177.584 -0.060 0.000 1.040 573 A CA -0.758 51.313 52.037 0.058 0.000 0.707 573 A CB 1.398 20.414 19.000 0.026 0.000 1.235 573 A HN 0.862 nan 8.150 nan 0.000 0.418 574 R N 2.113 122.488 120.500 -0.208 0.000 2.298 574 R HA 0.408 4.748 4.340 -0.000 0.000 0.310 574 R C -0.864 175.288 176.300 -0.248 0.000 1.068 574 R CA 0.141 55.936 56.100 -0.508 0.000 0.957 574 R CB 0.521 30.422 30.300 -0.665 0.000 1.003 574 R HN 0.757 nan 8.270 nan 0.000 0.454 575 E N 3.434 123.503 120.200 -0.219 0.000 2.199 575 E HA 0.217 4.566 4.350 -0.000 0.000 0.265 575 E C -0.984 175.553 176.600 -0.105 0.000 0.882 575 E CA -0.945 55.385 56.400 -0.116 0.000 0.759 575 E CB 2.565 32.222 29.700 -0.072 0.000 1.148 575 E HN 0.306 nan 8.360 nan 0.000 0.412 576 V N 4.083 123.956 119.914 -0.069 0.000 2.546 576 V HA 0.133 4.253 4.120 -0.000 0.000 0.284 576 V C 0.149 176.229 176.094 -0.023 0.000 1.050 576 V CA -0.488 61.785 62.300 -0.044 0.000 0.981 576 V CB 0.731 32.539 31.823 -0.026 0.000 0.990 576 V HN 0.577 nan 8.190 nan 0.000 0.474 577 L N 5.108 126.323 121.223 -0.012 0.000 2.334 577 L HA 0.264 4.604 4.340 -0.000 0.000 0.286 577 L C 1.423 178.303 176.870 0.015 0.000 1.108 577 L CA 0.005 54.846 54.840 0.002 0.000 0.875 577 L CB 0.349 42.412 42.059 0.007 0.000 1.246 577 L HN 0.654 nan 8.230 nan 0.000 0.439 578 E N 1.850 122.060 120.200 0.015 0.000 2.158 578 E HA -0.005 4.345 4.350 -0.000 0.000 0.191 578 E C 0.098 176.717 176.600 0.032 0.000 0.982 578 E CA 0.958 57.370 56.400 0.021 0.000 0.823 578 E CB 0.287 29.997 29.700 0.016 0.000 0.766 578 E HN 0.436 nan 8.360 nan 0.000 0.468 579 K N 0.041 120.464 120.400 0.038 0.000 2.512 579 K HA 0.255 4.575 4.320 -0.000 0.000 0.263 579 K C -0.873 175.767 176.600 0.067 0.000 0.966 579 K CA -0.524 55.793 56.287 0.050 0.000 0.851 579 K CB 2.004 34.531 32.500 0.045 0.000 1.395 579 K HN -0.173 nan 8.250 nan 0.000 0.440 580 E N 1.190 121.439 120.200 0.082 0.000 2.414 580 E HA -0.029 4.321 4.350 -0.000 0.000 0.263 580 E C -0.727 175.944 176.600 0.119 0.000 1.000 580 E CA 0.385 56.850 56.400 0.110 0.000 0.914 580 E CB 0.442 30.209 29.700 0.112 0.000 0.948 580 E HN 0.283 nan 8.360 nan 0.000 0.444 581 D N 2.754 123.237 120.400 0.138 0.000 2.425 581 D HA 0.043 4.682 4.640 -0.000 0.000 0.240 581 D C -0.091 176.338 176.300 0.215 0.000 1.080 581 D CA -0.618 53.468 54.000 0.144 0.000 0.836 581 D CB 0.655 41.503 40.800 0.080 0.000 1.125 581 D HN 0.343 nan 8.370 nan 0.000 0.525 582 F N 4.239 124.248 119.950 0.099 0.000 2.250 582 F HA -0.131 4.396 4.527 -0.001 0.000 0.301 582 F C 1.305 177.227 175.800 0.203 0.000 1.077 582 F CA 1.481 59.557 58.000 0.126 0.000 1.348 582 F CB 0.014 39.049 39.000 0.058 0.000 1.040 582 F HN 0.442 nan 8.300 nan 0.000 0.509 583 N N 0.068 118.893 118.700 0.209 0.000 2.494 583 N HA 0.171 4.911 4.740 -0.000 0.000 0.182 583 N C 1.007 176.445 175.510 -0.120 0.000 1.076 583 N CA 0.268 53.364 53.050 0.077 0.000 0.908 583 N CB -0.153 38.368 38.487 0.057 0.000 0.967 583 N HN 0.444 nan 8.380 nan 0.000 0.449 584 G N 1.185 109.895 108.800 -0.151 0.000 2.692 584 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.248 584 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.248 584 G C -0.528 174.090 174.900 -0.469 0.000 1.340 584 G CA -0.469 44.221 45.100 -0.684 0.000 0.896 584 G HN 0.138 nan 8.290 nan 0.000 0.570 585 I N 1.078 121.296 120.570 -0.587 0.000 2.465 585 I HA 0.350 4.520 4.170 -0.000 0.000 0.291 585 I C -0.598 175.199 176.117 -0.533 0.000 1.014 585 I CA -0.917 60.117 61.300 -0.445 0.000 1.093 585 I CB 2.098 39.846 38.000 -0.420 0.000 1.267 585 I HN 0.396 nan 8.210 nan 0.000 0.431 586 N N 4.547 123.026 118.700 -0.369 0.000 2.361 586 N HA 0.322 5.061 4.740 -0.000 0.000 0.302 586 N C -1.154 174.224 175.510 -0.220 0.000 1.074 586 N CA -0.534 52.331 53.050 -0.307 0.000 0.850 586 N CB 1.463 39.897 38.487 -0.088 0.000 1.228 586 N HN 0.410 nan 8.380 nan 0.000 0.491 587 W N 2.384 123.685 121.300 0.001 0.000 2.257 587 W HA 0.111 4.771 4.660 -0.001 0.000 0.337 587 W C -1.213 175.308 176.519 0.004 0.000 1.321 587 W CA -0.962 56.380 57.345 -0.004 0.000 1.267 587 W CB -0.162 29.297 29.460 -0.002 0.000 1.187 587 W HN 0.279 nan 8.180 nan 0.000 0.565 588 P HA -0.034 nan 4.420 nan 0.000 0.271 588 P C -0.487 176.886 177.300 0.122 0.000 1.218 588 P CA -0.173 63.015 63.100 0.148 0.000 0.780 588 P CB 0.733 32.510 31.700 0.128 0.000 0.901 589 E N 2.089 122.340 120.200 0.085 0.000 2.452 589 E HA -0.143 4.206 4.350 -0.000 0.000 0.261 589 E C 0.575 177.209 176.600 0.056 0.000 0.987 589 E CA 0.146 56.585 56.400 0.066 0.000 0.926 589 E CB -0.181 29.548 29.700 0.050 0.000 0.934 589 E HN 0.476 nan 8.360 nan 0.000 0.452 590 N N 3.021 121.748 118.700 0.045 0.000 2.708 590 N HA -0.234 4.506 4.740 -0.000 0.000 0.251 590 N C 0.415 175.943 175.510 0.029 0.000 1.123 590 N CA 1.816 54.884 53.050 0.031 0.000 0.739 590 N CB -1.337 37.167 38.487 0.029 0.000 1.113 590 N HN 0.875 nan 8.380 nan 0.000 0.561 591 G N -0.937 107.885 108.800 0.038 0.000 2.168 591 G HA2 -0.370 3.589 3.960 -0.000 0.000 0.257 591 G HA3 -0.370 3.589 3.960 -0.000 0.000 0.257 591 G C 0.052 174.976 174.900 0.040 0.000 0.997 591 G CA 0.561 45.676 45.100 0.026 0.000 0.708 591 G HN 0.651 nan 8.290 nan 0.000 0.520 592 Q N 0.205 120.038 119.800 0.056 0.000 2.945 592 Q HA 0.468 4.808 4.340 -0.000 0.000 0.323 592 Q C 0.881 176.926 176.000 0.075 0.000 1.188 592 Q CA 0.419 56.258 55.803 0.059 0.000 0.929 592 Q CB 0.171 28.941 28.738 0.054 0.000 1.531 592 Q HN 0.792 nan 8.270 nan 0.000 0.444 593 G N 0.243 109.092 108.800 0.082 0.000 2.579 593 G HA2 0.507 4.466 3.960 -0.000 0.000 0.292 593 G HA3 0.507 4.466 3.960 -0.000 0.000 0.292 593 G C -1.599 173.356 174.900 0.092 0.000 1.484 593 G CA -0.722 44.438 45.100 0.101 0.000 0.813 593 G HN 0.203 nan 8.290 nan 0.000 0.515 594 I N 0.679 121.306 120.570 0.095 0.000 2.466 594 I HA 0.388 4.558 4.170 -0.000 0.000 0.289 594 I C -0.827 175.314 176.117 0.040 0.000 1.026 594 I CA -0.841 60.478 61.300 0.032 0.000 1.078 594 I CB 2.090 40.057 38.000 -0.054 0.000 1.249 594 I HN 0.396 nan 8.210 nan 0.000 0.429 595 L N 8.136 129.399 121.223 0.067 0.000 2.275 595 L HA 0.613 4.953 4.340 -0.000 0.000 0.288 595 L C -1.185 175.689 176.870 0.005 0.000 1.046 595 L CA 0.058 54.946 54.840 0.080 0.000 0.805 595 L CB 0.817 43.006 42.059 0.217 0.000 1.193 595 L HN 0.444 nan 8.230 nan 0.000 0.426 596 L N 5.581 126.794 121.223 -0.018 0.000 2.354 596 L HA 0.555 4.894 4.340 -0.000 0.000 0.269 596 L C -0.836 176.057 176.870 0.038 0.000 1.005 596 L CA -0.927 53.899 54.840 -0.023 0.000 0.819 596 L CB 2.126 44.145 42.059 -0.067 0.000 1.311 596 L HN 0.414 nan 8.230 nan 0.000 0.423 597 I N 2.017 122.633 120.570 0.077 0.000 2.312 597 I HA 0.333 4.503 4.170 -0.000 0.000 0.290 597 I C 0.037 176.227 176.117 0.122 0.000 1.008 597 I CA -0.305 61.047 61.300 0.087 0.000 1.226 597 I CB 1.290 39.339 38.000 0.082 0.000 1.371 597 I HN 0.655 nan 8.210 nan 0.000 0.468 598 E N 3.161 123.425 120.200 0.107 0.000 2.202 598 E HA 0.305 4.655 4.350 -0.000 0.000 0.272 598 E C -0.375 176.295 176.600 0.117 0.000 0.951 598 E CA -0.676 55.803 56.400 0.131 0.000 0.813 598 E CB 2.028 31.797 29.700 0.113 0.000 1.151 598 E HN 0.485 nan 8.360 nan 0.000 0.398 599 S N 0.962 116.741 115.700 0.131 0.000 2.549 599 S HA 0.119 4.589 4.470 -0.000 0.000 0.286 599 S C 0.995 175.641 174.600 0.076 0.000 1.314 599 S CA 0.196 58.456 58.200 0.101 0.000 1.062 599 S CB 0.837 64.095 63.200 0.096 0.000 0.865 599 S HN 0.631 nan 8.310 nan 0.000 0.498 600 A N 4.211 127.067 122.820 0.060 0.000 1.969 600 A HA 0.030 4.350 4.320 -0.000 0.000 0.218 600 A C 1.895 179.505 177.584 0.043 0.000 1.169 600 A CA 1.052 53.118 52.037 0.049 0.000 0.635 600 A CB -0.228 18.796 19.000 0.041 0.000 0.810 600 A HN 0.839 nan 8.150 nan 0.000 0.445 601 E N -0.541 119.683 120.200 0.040 0.000 2.441 601 E HA 0.100 4.450 4.350 -0.000 0.000 0.212 601 E C -0.180 176.435 176.600 0.025 0.000 0.840 601 E CA 0.016 56.434 56.400 0.031 0.000 1.143 601 E CB 0.227 29.942 29.700 0.024 0.000 1.153 601 E HN 0.703 nan 8.360 nan 0.000 0.539 602 E N 1.811 122.027 120.200 0.027 0.000 2.313 602 E HA 0.233 4.583 4.350 -0.000 0.000 0.276 602 E C -0.010 176.597 176.600 0.011 0.000 1.031 602 E CA 0.042 56.447 56.400 0.009 0.000 0.857 602 E CB 1.116 30.815 29.700 -0.002 0.000 1.040 602 E HN 0.005 nan 8.360 nan 0.000 0.408 603 T N -0.203 114.346 114.554 -0.008 0.000 2.916 603 T HA 0.348 4.697 4.350 -0.000 0.000 0.292 603 T C 0.011 174.684 174.700 -0.046 0.000 1.064 603 T CA -1.210 60.888 62.100 -0.003 0.000 1.011 603 T CB 1.309 70.182 68.868 0.008 0.000 1.152 603 T HN 0.488 nan 8.240 nan 0.000 0.510 604 N N 0.139 118.814 118.700 -0.042 0.000 2.431 604 N HA 0.235 4.974 4.740 -0.000 0.000 0.289 604 N C 0.946 176.331 175.510 -0.208 0.000 1.277 604 N CA -0.640 52.349 53.050 -0.103 0.000 0.972 604 N CB -0.446 38.013 38.487 -0.046 0.000 1.143 604 N HN 0.502 nan 8.380 nan 0.000 0.578 605 S N -1.474 113.952 115.700 -0.456 0.000 2.515 605 S HA 0.093 4.563 4.470 -0.000 0.000 0.231 605 S C 0.449 174.577 174.600 -0.786 0.000 0.987 605 S CA 0.512 58.290 58.200 -0.703 0.000 0.936 605 S CB -0.687 61.943 63.200 -0.951 0.000 0.766 605 S HN 0.528 nan 8.310 nan 0.000 0.528 606 F N 0.430 120.384 119.950 0.007 0.000 2.647 606 F HA 0.410 4.937 4.527 -0.000 0.000 0.300 606 F C 1.637 177.449 175.800 0.019 0.000 1.106 606 F CA -0.146 57.859 58.000 0.008 0.000 1.313 606 F CB 0.071 39.070 39.000 -0.001 0.000 1.007 606 F HN 0.206 nan 8.300 nan 0.000 0.536 607 G N 0.291 109.135 108.800 0.074 0.000 2.179 607 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.260 607 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.260 607 G C -0.035 174.922 174.900 0.095 0.000 0.977 607 G CA -0.431 44.713 45.100 0.074 0.000 0.641 607 G HN 0.323 nan 8.290 nan 0.000 0.533 608 N N 1.698 120.468 118.700 0.115 0.000 2.499 608 N HA 0.425 5.164 4.740 -0.000 0.000 0.281 608 N C -2.749 172.834 175.510 0.122 0.000 1.098 608 N CA -1.232 51.902 53.050 0.140 0.000 0.979 608 N CB 1.318 39.900 38.487 0.158 0.000 1.121 608 N HN 0.050 nan 8.380 nan 0.000 0.466 609 P HA 0.025 nan 4.420 nan 0.000 0.265 609 P C -0.082 177.309 177.300 0.151 0.000 1.193 609 P CA 0.238 63.414 63.100 0.127 0.000 0.765 609 P CB 0.558 32.342 31.700 0.140 0.000 0.823 610 R N 2.116 122.684 120.500 0.113 0.000 2.537 610 R HA 0.518 4.858 4.340 -0.000 0.000 0.280 610 R C 0.186 176.646 176.300 0.266 0.000 1.058 610 R CA 0.144 56.330 56.100 0.142 0.000 1.057 610 R CB 0.281 30.602 30.300 0.034 0.000 0.973 610 R HN 0.499 nan 8.270 nan 0.000 0.438 611 A N 2.849 125.874 122.820 0.342 0.000 2.594 611 A HA 0.587 4.907 4.320 -0.000 0.000 0.291 611 A C -1.912 175.853 177.584 0.302 0.000 1.105 611 A CA -0.638 51.593 52.037 0.324 0.000 0.694 611 A CB 1.299 20.473 19.000 0.290 0.000 1.291 611 A HN 0.595 nan 8.150 nan 0.000 0.410 612 Y N 0.748 121.100 120.300 0.086 0.000 2.409 612 Y HA 0.418 4.967 4.550 -0.000 0.000 0.343 612 Y C 0.376 176.292 175.900 0.026 0.000 0.973 612 Y CA -0.392 57.724 58.100 0.027 0.000 1.064 612 Y CB 2.089 40.514 38.460 -0.057 0.000 1.207 612 Y HN 0.803 nan 8.280 nan 0.000 0.452 613 N N 4.549 123.294 118.700 0.076 0.000 2.434 613 N HA 0.350 5.089 4.740 -0.000 0.000 0.272 613 N C -1.140 174.415 175.510 0.074 0.000 1.040 613 N CA -0.273 52.782 53.050 0.009 0.000 0.956 613 N CB 0.618 39.092 38.487 -0.021 0.000 1.108 613 N HN 0.604 nan 8.380 nan 0.000 0.481 614 I N 4.346 124.967 120.570 0.085 0.000 2.291 614 I HA 0.168 4.338 4.170 -0.000 0.000 0.292 614 I C 0.028 176.161 176.117 0.028 0.000 1.064 614 I CA -0.053 61.317 61.300 0.116 0.000 1.269 614 I CB 0.800 38.894 38.000 0.158 0.000 1.418 614 I HN 0.469 nan 8.210 nan 0.000 0.485 615 M N 8.993 128.565 119.600 -0.048 0.000 2.114 615 M HA 0.380 4.859 4.480 -0.000 0.000 0.332 615 M C -2.411 173.691 176.300 -0.330 0.000 1.014 615 M CA -1.783 53.386 55.300 -0.218 0.000 0.956 615 M CB 1.819 34.340 32.600 -0.133 0.000 1.551 615 M HN 0.183 nan 8.290 nan 0.000 0.427 616 P HA 0.200 nan 4.420 nan 0.000 0.271 616 P C -0.331 176.746 177.300 -0.372 0.000 1.218 616 P CA -0.008 62.682 63.100 -0.683 0.000 0.780 616 P CB 1.112 31.938 31.700 -1.457 0.000 0.901 617 G N 1.341 110.004 108.800 -0.227 0.000 3.039 617 G HA2 0.582 4.541 3.960 -0.000 0.000 0.159 617 G HA3 0.582 4.541 3.960 -0.000 0.000 0.159 617 G C 0.025 174.812 174.900 -0.188 0.000 1.284 617 G CA -0.583 44.400 45.100 -0.195 0.000 0.996 617 G HN 0.591 nan 8.290 nan 0.000 0.592 618 G N -2.225 106.458 108.800 -0.195 0.000 2.606 618 G HA2 0.503 4.462 3.960 -0.000 0.000 0.252 618 G HA3 0.503 4.462 3.960 -0.000 0.000 0.252 618 G C 1.077 175.886 174.900 -0.153 0.000 1.206 618 G CA 0.667 45.670 45.100 -0.162 0.000 0.861 618 G HN 1.940 nan 8.290 nan 0.000 0.561 619 G N -1.343 107.400 108.800 -0.096 0.000 2.147 619 G HA2 0.032 3.991 3.960 -0.000 0.000 0.244 619 G HA3 0.032 3.991 3.960 -0.000 0.000 0.244 619 G C 0.857 175.764 174.900 0.012 0.000 1.005 619 G CA 0.615 45.675 45.100 -0.065 0.000 0.713 619 G HN 1.655 nan 8.290 nan 0.000 0.515 620 G N -0.074 108.751 108.800 0.041 0.000 3.197 620 G HA2 0.600 4.560 3.960 -0.000 0.000 0.257 620 G HA3 0.600 4.560 3.960 -0.000 0.000 0.257 620 G C 0.445 175.467 174.900 0.203 0.000 0.835 620 G CA 0.594 45.817 45.100 0.205 0.000 2.001 620 G HN 1.717 nan 8.290 nan 0.000 0.625 621 V N -1.131 118.833 119.914 0.083 0.000 3.001 621 V HA 0.934 5.054 4.120 -0.000 0.000 0.314 621 V C -0.485 175.619 176.094 0.017 0.000 1.099 621 V CA -1.345 60.932 62.300 -0.037 0.000 0.989 621 V CB 1.706 33.380 31.823 -0.248 0.000 1.040 621 V HN 0.625 nan 8.190 nan 0.000 0.434 622 H N 0.407 119.533 119.070 0.094 0.000 2.927 622 H HA 0.750 5.306 4.556 -0.000 0.000 0.316 622 H C -0.148 175.237 175.328 0.094 0.000 1.403 622 H CA -1.189 54.901 56.048 0.069 0.000 1.288 622 H CB 0.730 30.508 29.762 0.026 0.000 1.944 622 H HN 0.703 nan 8.280 nan 0.000 0.629 623 R N 0.033 120.676 120.500 0.238 0.000 2.640 623 R HA 0.054 4.394 4.340 -0.000 0.000 0.270 623 R C 0.676 177.062 176.300 0.143 0.000 1.024 623 R CA 0.393 56.553 56.100 0.100 0.000 1.085 623 R CB 0.299 30.581 30.300 -0.030 0.000 0.963 623 R HN 0.608 nan 8.270 nan 0.000 0.426 624 I N 1.724 122.287 120.570 -0.012 0.000 2.277 624 I HA -0.107 4.062 4.170 -0.000 0.000 0.243 624 I C 0.592 176.679 176.117 -0.049 0.000 1.094 624 I CA 0.671 61.931 61.300 -0.067 0.000 1.393 624 I CB 0.100 37.984 38.000 -0.193 0.000 1.078 624 I HN 0.282 nan 8.210 nan 0.000 0.417 625 V N 2.608 122.463 119.914 -0.099 0.000 2.715 625 V HA -0.009 4.111 4.120 -0.000 0.000 0.299 625 V C 1.061 177.129 176.094 -0.044 0.000 1.054 625 V CA 0.179 62.429 62.300 -0.083 0.000 1.077 625 V CB 1.038 32.779 31.823 -0.137 0.000 0.972 625 V HN 0.266 nan 8.190 nan 0.000 0.484 626 K N 2.401 122.789 120.400 -0.021 0.000 2.313 626 K HA 0.155 4.475 4.320 -0.000 0.000 0.197 626 K C 0.708 177.309 176.600 0.001 0.000 1.061 626 K CA 0.533 56.816 56.287 -0.007 0.000 0.980 626 K CB 0.149 32.652 32.500 0.005 0.000 0.888 626 K HN 0.649 nan 8.250 nan 0.000 0.502 627 N N 1.445 120.148 118.700 0.005 0.000 2.727 627 N HA 0.070 4.810 4.740 -0.000 0.000 0.252 627 N C -1.447 174.076 175.510 0.020 0.000 1.283 627 N CA 0.085 53.145 53.050 0.016 0.000 0.782 627 N CB 0.843 39.341 38.487 0.018 0.000 1.199 627 N HN -0.129 nan 8.380 nan 0.000 0.520 628 S N 1.558 117.283 115.700 0.042 0.000 2.499 628 S HA 0.276 4.745 4.470 -0.000 0.000 0.279 628 S C 1.377 175.999 174.600 0.037 0.000 1.219 628 S CA -0.463 57.776 58.200 0.064 0.000 1.062 628 S CB 0.916 64.243 63.200 0.212 0.000 0.978 628 S HN 0.562 nan 8.310 nan 0.000 0.489 629 R N 2.694 123.213 120.500 0.032 0.000 2.237 629 R HA 0.002 4.342 4.340 -0.000 0.000 0.219 629 R C 1.266 177.564 176.300 -0.002 0.000 1.080 629 R CA 1.128 57.248 56.100 0.033 0.000 0.995 629 R CB -0.120 30.218 30.300 0.064 0.000 0.875 629 R HN 0.488 nan 8.270 nan 0.000 0.462 630 S N -0.771 114.950 115.700 0.034 0.000 2.556 630 S HA 0.155 4.624 4.470 -0.000 0.000 0.216 630 S C 0.622 175.104 174.600 -0.198 0.000 0.970 630 S CA 0.238 58.437 58.200 -0.003 0.000 0.912 630 S CB 1.492 64.761 63.200 0.114 0.000 0.790 630 S HN 0.479 nan 8.310 nan 0.000 0.504 631 G N 2.054 110.718 108.800 -0.227 0.000 4.485 631 G HA2 0.356 4.316 3.960 -0.000 0.000 0.238 631 G HA3 0.356 4.316 3.960 -0.000 0.000 0.238 631 G C -2.562 172.165 174.900 -0.289 0.000 1.216 631 G CA -0.604 44.186 45.100 -0.518 0.000 0.611 631 G HN 0.058 nan 8.290 nan 0.000 0.422 632 P HA -0.012 nan 4.420 nan 0.000 0.215 632 P C 1.058 178.255 177.300 -0.172 0.000 1.157 632 P CA 1.240 64.212 63.100 -0.214 0.000 0.863 632 P CB 0.521 32.013 31.700 -0.347 0.000 0.787 633 E N -2.399 117.664 120.200 -0.228 0.000 2.676 633 E HA 0.081 4.431 4.350 -0.000 0.000 0.222 633 E C 1.036 177.533 176.600 -0.173 0.000 0.968 633 E CA 0.448 56.759 56.400 -0.148 0.000 1.090 633 E CB -0.247 29.404 29.700 -0.083 0.000 1.066 633 E HN 0.310 nan 8.360 nan 0.000 0.496 634 T N -1.270 113.137 114.554 -0.245 0.000 3.081 634 T HA 0.070 4.420 4.350 -0.000 0.000 0.255 634 T C 1.030 175.622 174.700 -0.181 0.000 1.113 634 T CA 0.361 62.330 62.100 -0.218 0.000 1.082 634 T CB 0.213 68.904 68.868 -0.296 0.000 0.939 634 T HN -0.153 nan 8.240 nan 0.000 0.506 635 Q N 0.560 120.199 119.800 -0.269 0.000 2.458 635 Q HA 0.310 4.650 4.340 -0.000 0.000 0.332 635 Q C -0.144 175.434 176.000 -0.703 0.000 0.825 635 Q CA -0.250 55.310 55.803 -0.405 0.000 1.076 635 Q CB 0.385 28.886 28.738 -0.396 0.000 1.394 635 Q HN 0.287 nan 8.270 nan 0.000 0.393 636 N N 0.422 118.879 118.700 -0.405 0.000 2.550 636 N HA -0.066 4.673 4.740 -0.000 0.000 0.186 636 N C 1.311 176.561 175.510 -0.434 0.000 1.110 636 N CA 0.515 53.365 53.050 -0.333 0.000 0.912 636 N CB 0.131 38.522 38.487 -0.159 0.000 0.968 636 N HN 0.571 nan 8.380 nan 0.000 0.448 637 W N -0.143 120.816 121.300 -0.568 0.000 2.699 637 W HA 0.268 4.927 4.660 -0.000 0.000 0.249 637 W C 0.820 177.155 176.519 -0.308 0.000 1.280 637 W CA 0.181 56.892 57.345 -1.057 0.000 1.345 637 W CB -0.562 27.947 29.460 -1.585 0.000 1.128 637 W HN -0.056 nan 8.180 nan 0.000 0.642 638 A N 1.957 124.214 122.820 -0.938 0.000 2.337 638 A HA 0.073 4.393 4.320 -0.000 0.000 0.227 638 A C 2.019 179.464 177.584 -0.232 0.000 1.259 638 A CA 0.021 51.606 52.037 -0.754 0.000 0.870 638 A CB -0.649 17.542 19.000 -1.349 0.000 0.927 638 A HN 0.433 nan 8.150 nan 0.000 0.497 639 R N -1.605 118.809 120.500 -0.144 0.000 2.312 639 R HA 0.328 4.668 4.340 -0.000 0.000 0.205 639 R C -0.155 175.869 176.300 -0.459 0.000 0.904 639 R CA 0.504 56.497 56.100 -0.178 0.000 1.052 639 R CB 0.086 30.312 30.300 -0.123 0.000 1.014 639 R HN 0.206 nan 8.270 nan 0.000 0.503 640 S N -0.135 115.381 115.700 -0.307 0.000 2.697 640 S HA 0.260 4.730 4.470 -0.000 0.000 0.289 640 S C -0.307 174.145 174.600 -0.246 0.000 1.149 640 S CA -0.879 56.996 58.200 -0.543 0.000 0.850 640 S CB 1.971 64.748 63.200 -0.704 0.000 1.151 640 S HN 0.172 nan 8.310 nan 0.000 0.491 641 N N 0.015 118.558 118.700 -0.261 0.000 2.270 641 N HA 0.209 4.948 4.740 -0.000 0.000 0.181 641 N C 0.062 175.404 175.510 -0.280 0.000 1.016 641 N CA 0.648 53.571 53.050 -0.212 0.000 0.870 641 N CB 0.194 38.341 38.487 -0.566 0.000 0.979 641 N HN 0.410 nan 8.380 nan 0.000 0.431 642 L N -1.097 119.836 121.223 -0.484 0.000 2.622 642 L HA 0.479 4.819 4.340 -0.000 0.000 0.258 642 L C -1.911 174.689 176.870 -0.449 0.000 0.996 642 L CA -0.756 53.896 54.840 -0.313 0.000 0.858 642 L CB 1.345 43.154 42.059 -0.417 0.000 1.449 642 L HN -0.197 nan 8.230 nan 0.000 0.411 643 F N 2.686 122.716 119.950 0.133 0.000 2.576 643 F HA 0.642 5.169 4.527 -0.000 0.000 0.313 643 F C -0.783 175.208 175.800 0.320 0.000 1.078 643 F CA -0.524 57.613 58.000 0.227 0.000 0.921 643 F CB 2.170 41.415 39.000 0.408 0.000 1.232 643 F HN 0.164 nan 8.300 nan 0.000 0.459 644 L N 2.462 123.928 121.223 0.405 0.000 2.333 644 L HA 0.738 5.078 4.340 -0.000 0.000 0.280 644 L C -0.298 176.780 176.870 0.346 0.000 1.004 644 L CA -0.528 54.506 54.840 0.324 0.000 0.820 644 L CB 2.045 44.202 42.059 0.163 0.000 1.247 644 L HN 0.774 nan 8.230 nan 0.000 0.416 645 T N -1.021 113.766 114.554 0.389 0.000 2.901 645 T HA 0.374 4.724 4.350 -0.000 0.000 0.293 645 T C -0.643 174.185 174.700 0.213 0.000 1.084 645 T CA -1.030 61.251 62.100 0.302 0.000 1.008 645 T CB 2.141 71.239 68.868 0.383 0.000 1.170 645 T HN 0.459 nan 8.240 nan 0.000 0.509 646 K N 1.540 122.023 120.400 0.138 0.000 2.339 646 K HA 0.054 4.374 4.320 -0.000 0.000 0.286 646 K C 0.239 176.900 176.600 0.102 0.000 1.050 646 K CA -0.491 55.862 56.287 0.109 0.000 0.956 646 K CB 0.235 32.776 32.500 0.069 0.000 0.990 646 K HN 0.811 nan 8.250 nan 0.000 0.475 647 H N 4.636 123.732 119.070 0.043 0.000 3.094 647 H HA 0.015 4.571 4.556 -0.000 0.000 0.320 647 H C -1.037 174.295 175.328 0.007 0.000 1.000 647 H CA 1.171 57.236 56.048 0.027 0.000 1.413 647 H CB 0.466 30.232 29.762 0.007 0.000 1.405 647 H HN 0.542 nan 8.280 nan 0.000 0.586 648 K N 4.312 124.315 120.400 -0.661 0.000 2.501 648 K HA 0.090 4.410 4.320 -0.000 0.000 0.252 648 K C 0.139 176.469 176.600 -0.450 0.000 0.934 648 K CA -0.849 55.193 56.287 -0.407 0.000 0.797 648 K CB 1.804 34.174 32.500 -0.216 0.000 1.270 648 K HN 0.540 nan 8.250 nan 0.000 0.431 649 D N 1.872 122.173 120.400 -0.165 0.000 2.218 649 D HA -0.174 4.466 4.640 -0.000 0.000 0.204 649 D C 1.355 177.779 176.300 0.206 0.000 0.976 649 D CA 1.341 55.363 54.000 0.038 0.000 0.853 649 D CB 0.464 41.289 40.800 0.042 0.000 0.939 649 D HN 0.619 nan 8.370 nan 0.000 0.481 650 E N 0.921 121.207 120.200 0.143 0.000 2.358 650 E HA -0.105 4.244 4.350 -0.000 0.000 0.195 650 E C 0.185 176.856 176.600 0.118 0.000 1.010 650 E CA 0.513 57.081 56.400 0.280 0.000 0.856 650 E CB -0.287 29.516 29.700 0.172 0.000 0.795 650 E HN 0.302 nan 8.360 nan 0.000 0.504 651 E N 1.162 121.296 120.200 -0.111 0.000 2.674 651 E HA 0.115 4.465 4.350 -0.000 0.000 0.240 651 E C 0.538 177.117 176.600 -0.036 0.000 1.213 651 E CA -0.277 55.877 56.400 -0.410 0.000 1.357 651 E CB 0.564 29.564 29.700 -1.167 0.000 1.467 651 E HN 0.050 nan 8.360 nan 0.000 0.448 652 L N 1.624 122.953 121.223 0.177 0.000 2.109 652 L HA -0.016 4.323 4.340 -0.000 0.000 0.207 652 L C 0.569 177.643 176.870 0.340 0.000 1.086 652 L CA 1.526 56.511 54.840 0.242 0.000 0.760 652 L CB 0.073 42.250 42.059 0.196 0.000 0.910 652 L HN 0.193 nan 8.230 nan 0.000 0.437 653 R N -2.313 118.414 120.500 0.379 0.000 2.643 653 R HA 0.406 4.745 4.340 -0.000 0.000 0.269 653 R C 0.190 176.684 176.300 0.323 0.000 1.037 653 R CA 0.197 56.502 56.100 0.343 0.000 0.894 653 R CB 0.791 31.146 30.300 0.092 0.000 1.238 653 R HN -0.014 nan 8.270 nan 0.000 0.459 654 S N -0.066 115.728 115.700 0.156 0.000 2.524 654 S HA 0.089 4.558 4.470 -0.000 0.000 0.216 654 S C 0.605 175.137 174.600 -0.114 0.000 0.987 654 S CA 0.203 58.341 58.200 -0.103 0.000 0.909 654 S CB 0.215 63.154 63.200 -0.435 0.000 0.781 654 S HN 0.593 nan 8.310 nan 0.000 0.521 655 S N 0.332 115.984 115.700 -0.079 0.000 2.671 655 S HA 0.737 5.207 4.470 -0.000 0.000 0.277 655 S C -0.986 173.594 174.600 -0.033 0.000 1.165 655 S CA -0.037 58.147 58.200 -0.027 0.000 0.822 655 S CB 1.494 64.691 63.200 -0.004 0.000 1.150 655 S HN 0.670 nan 8.310 nan 0.000 0.479 656 T N -1.258 113.280 114.554 -0.026 0.000 2.841 656 T HA 0.730 5.080 4.350 -0.000 0.000 0.296 656 T C 0.815 175.479 174.700 -0.060 0.000 1.166 656 T CA -0.095 61.972 62.100 -0.054 0.000 1.007 656 T CB 0.997 69.861 68.868 -0.006 0.000 1.253 656 T HN 0.976 nan 8.240 nan 0.000 0.511 657 A N 0.323 123.073 122.820 -0.116 0.000 2.172 657 A HA 0.261 4.581 4.320 -0.000 0.000 0.216 657 A C 1.825 179.417 177.584 0.013 0.000 1.154 657 A CA 0.743 52.715 52.037 -0.108 0.000 0.701 657 A CB -0.876 17.915 19.000 -0.349 0.000 0.789 657 A HN 0.770 nan 8.150 nan 0.000 0.465 658 L N -0.972 120.262 121.223 0.018 0.000 2.628 658 L HA 0.125 4.464 4.340 -0.000 0.000 0.229 658 L C 1.515 178.388 176.870 0.006 0.000 1.137 658 L CA -0.150 54.709 54.840 0.031 0.000 0.909 658 L CB -0.211 41.874 42.059 0.042 0.000 1.137 658 L HN 0.204 nan 8.230 nan 0.000 0.470 659 N N -0.292 118.404 118.700 -0.006 0.000 2.250 659 N HA -0.139 4.601 4.740 -0.000 0.000 0.181 659 N C 1.938 177.406 175.510 -0.071 0.000 1.017 659 N CA 1.342 54.372 53.050 -0.033 0.000 0.866 659 N CB -0.038 38.432 38.487 -0.029 0.000 0.985 659 N HN 0.034 nan 8.380 nan 0.000 0.429 660 T N 0.405 114.920 114.554 -0.064 0.000 2.759 660 T HA -0.069 4.281 4.350 -0.000 0.000 0.269 660 T C 1.219 175.839 174.700 -0.134 0.000 1.042 660 T CA 1.271 63.307 62.100 -0.106 0.000 1.140 660 T CB -0.141 68.690 68.868 -0.060 0.000 0.864 660 T HN 0.223 nan 8.240 nan 0.000 0.455 661 N N 0.780 119.414 118.700 -0.109 0.000 2.353 661 N HA 0.200 4.940 4.740 -0.000 0.000 0.185 661 N C 0.456 175.907 175.510 -0.099 0.000 1.098 661 N CA 0.261 53.243 53.050 -0.114 0.000 0.872 661 N CB 0.190 38.604 38.487 -0.122 0.000 0.970 661 N HN 0.368 nan 8.380 nan 0.000 0.467 662 A N 1.473 124.238 122.820 -0.092 0.000 3.078 662 A HA 0.275 4.595 4.320 -0.000 0.000 0.279 662 A C 1.446 178.965 177.584 -0.109 0.000 1.594 662 A CA -0.342 51.660 52.037 -0.059 0.000 1.301 662 A CB -0.737 18.244 19.000 -0.031 0.000 1.162 662 A HN 0.143 nan 8.150 nan 0.000 0.585 663 L N -0.594 120.524 121.223 -0.175 0.000 2.043 663 L HA -0.244 4.095 4.340 -0.000 0.000 0.212 663 L C 1.776 178.292 176.870 -0.591 0.000 1.075 663 L CA 1.819 56.392 54.840 -0.444 0.000 0.752 663 L CB -0.505 41.184 42.059 -0.618 0.000 0.891 663 L HN 0.783 nan 8.230 nan 0.000 0.432 664 Y N -2.302 117.988 120.300 -0.016 0.000 2.535 664 Y HA 0.085 4.634 4.550 -0.000 0.000 0.266 664 Y C 0.841 176.733 175.900 -0.013 0.000 1.088 664 Y CA -0.148 57.942 58.100 -0.016 0.000 1.285 664 Y CB 0.514 38.970 38.460 -0.006 0.000 1.166 664 Y HN 0.010 nan 8.280 nan 0.000 0.525 665 D N 0.840 121.306 120.400 0.109 0.000 2.739 665 D HA 0.195 4.835 4.640 -0.000 0.000 0.335 665 D C -2.931 173.384 176.300 0.025 0.000 1.216 665 D CA -2.377 51.662 54.000 0.064 0.000 0.808 665 D CB 0.616 41.463 40.800 0.078 0.000 1.121 665 D HN -0.046 nan 8.370 nan 0.000 0.499 666 P HA 0.197 nan 4.420 nan 0.000 0.274 666 P C -2.005 175.297 177.300 0.004 0.000 1.231 666 P CA -1.117 61.972 63.100 -0.017 0.000 0.790 666 P CB 1.179 32.849 31.700 -0.050 0.000 0.951 667 P HA -0.137 nan 4.420 nan 0.000 0.216 667 P C 0.218 177.545 177.300 0.045 0.000 1.154 667 P CA 1.424 64.547 63.100 0.039 0.000 0.865 667 P CB 0.080 31.819 31.700 0.064 0.000 0.789 668 V N 0.312 120.246 119.914 0.033 0.000 2.444 668 V HA 0.308 4.428 4.120 -0.000 0.000 0.294 668 V C -0.152 175.913 176.094 -0.048 0.000 1.022 668 V CA -0.839 61.471 62.300 0.018 0.000 0.850 668 V CB 1.423 33.273 31.823 0.046 0.000 0.992 668 V HN -0.000 nan 8.190 nan 0.000 0.426 669 N N 3.680 122.326 118.700 -0.090 0.000 2.469 669 N HA 0.192 4.932 4.740 -0.000 0.000 0.253 669 N C 0.526 175.856 175.510 -0.299 0.000 0.970 669 N CA -0.534 52.439 53.050 -0.128 0.000 0.940 669 N CB 1.083 39.520 38.487 -0.083 0.000 1.128 669 N HN 0.576 nan 8.380 nan 0.000 0.503 670 F N 4.685 124.318 119.950 -0.529 0.000 2.192 670 F HA -0.146 4.380 4.527 -0.000 0.000 0.301 670 F C 1.408 176.698 175.800 -0.850 0.000 1.079 670 F CA 1.417 58.840 58.000 -0.962 0.000 1.303 670 F CB 0.091 38.669 39.000 -0.703 0.000 1.024 670 F HN 0.488 nan 8.300 nan 0.000 0.494 671 N N 0.799 119.209 118.700 -0.482 0.000 2.364 671 N HA -0.131 4.609 4.740 -0.000 0.000 0.183 671 N C 1.931 177.288 175.510 -0.257 0.000 1.022 671 N CA 1.112 53.939 53.050 -0.373 0.000 0.883 671 N CB -0.674 37.786 38.487 -0.044 0.000 0.965 671 N HN 0.430 nan 8.380 nan 0.000 0.438 672 A N 0.056 122.730 122.820 -0.244 0.000 2.125 672 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 672 A C 1.388 178.997 177.584 0.041 0.000 1.156 672 A CA 0.684 52.685 52.037 -0.061 0.000 0.671 672 A CB -0.597 18.401 19.000 -0.003 0.000 0.794 672 A HN 0.125 nan 8.150 nan 0.000 0.459 673 F N -0.416 119.295 119.950 -0.399 0.000 2.407 673 F HA 0.164 4.691 4.527 -0.000 0.000 0.299 673 F C 0.764 176.398 175.800 -0.277 0.000 1.097 673 F CA -0.142 57.620 58.000 -0.397 0.000 1.422 673 F CB -0.681 37.881 39.000 -0.730 0.000 1.067 673 F HN 0.031 nan 8.300 nan 0.000 0.539 674 L N 2.153 123.330 121.223 -0.078 0.000 2.314 674 L HA 0.241 4.581 4.340 -0.000 0.000 0.275 674 L C -0.480 176.450 176.870 0.100 0.000 1.068 674 L CA -0.314 54.531 54.840 0.009 0.000 0.894 674 L CB 0.214 42.256 42.059 -0.028 0.000 1.275 674 L HN -0.010 nan 8.230 nan 0.000 0.432 675 D N -0.111 120.336 120.400 0.077 0.000 2.908 675 D HA 0.065 4.705 4.640 -0.000 0.000 0.361 675 D C -0.027 176.307 176.300 0.057 0.000 1.416 675 D CA -0.538 53.501 54.000 0.065 0.000 0.796 675 D CB 0.177 41.002 40.800 0.043 0.000 1.185 675 D HN 0.299 nan 8.370 nan 0.000 0.451 676 D N 0.212 120.657 120.400 0.075 0.000 2.945 676 D HA -0.178 4.462 4.640 -0.000 0.000 0.225 676 D C -0.428 175.902 176.300 0.051 0.000 1.158 676 D CA 0.850 54.888 54.000 0.064 0.000 0.805 676 D CB -0.931 39.898 40.800 0.048 0.000 1.098 676 D HN 0.592 nan 8.370 nan 0.000 0.426 677 E N 0.438 120.670 120.200 0.053 0.000 2.390 677 E HA 0.253 4.603 4.350 -0.000 0.000 0.261 677 E C 0.402 177.031 176.600 0.048 0.000 1.076 677 E CA -0.178 56.248 56.400 0.044 0.000 0.905 677 E CB 0.859 30.584 29.700 0.042 0.000 0.984 677 E HN 0.018 nan 8.360 nan 0.000 0.427 678 S N 1.786 117.510 115.700 0.040 0.000 2.549 678 S HA 0.025 4.495 4.470 -0.000 0.000 0.286 678 S C 0.571 175.199 174.600 0.047 0.000 1.314 678 S CA -0.198 58.025 58.200 0.039 0.000 1.062 678 S CB 0.207 63.426 63.200 0.031 0.000 0.865 678 S HN 0.457 nan 8.310 nan 0.000 0.498 679 L N 2.876 124.128 121.223 0.048 0.000 2.808 679 L HA 0.328 4.668 4.340 -0.000 0.000 0.246 679 L C 0.374 177.270 176.870 0.044 0.000 1.153 679 L CA -0.108 54.764 54.840 0.054 0.000 0.956 679 L CB 0.242 42.339 42.059 0.062 0.000 1.270 679 L HN 0.534 nan 8.230 nan 0.000 0.528 680 D N 2.020 122.442 120.400 0.036 0.000 2.494 680 D HA 0.312 4.952 4.640 -0.000 0.000 0.217 680 D C 0.730 177.049 176.300 0.031 0.000 1.153 680 D CA 0.254 54.272 54.000 0.030 0.000 0.954 680 D CB 0.393 41.207 40.800 0.024 0.000 1.034 680 D HN 0.285 nan 8.370 nan 0.000 0.518 681 G N 3.037 111.858 108.800 0.034 0.000 2.638 681 G HA2 -0.144 3.815 3.960 -0.000 0.000 0.269 681 G HA3 -0.144 3.815 3.960 -0.000 0.000 0.269 681 G C -0.350 174.571 174.900 0.035 0.000 1.141 681 G CA -0.461 44.659 45.100 0.034 0.000 1.081 681 G HN 0.421 nan 8.290 nan 0.000 0.527 682 E N -0.403 119.821 120.200 0.040 0.000 2.449 682 E HA 0.340 4.690 4.350 -0.000 0.000 0.278 682 E C -1.260 175.368 176.600 0.047 0.000 0.992 682 E CA -0.956 55.470 56.400 0.044 0.000 0.807 682 E CB 1.355 31.086 29.700 0.052 0.000 1.350 682 E HN 0.162 nan 8.360 nan 0.000 0.462 683 D N 1.566 121.996 120.400 0.050 0.000 2.338 683 D HA 0.257 4.897 4.640 -0.000 0.000 0.255 683 D C -0.457 175.895 176.300 0.086 0.000 1.237 683 D CA 0.029 54.056 54.000 0.045 0.000 0.883 683 D CB 0.038 40.850 40.800 0.020 0.000 1.087 683 D HN 0.297 nan 8.370 nan 0.000 0.485 684 I N 2.995 123.607 120.570 0.070 0.000 2.498 684 I HA 0.300 4.470 4.170 -0.000 0.000 0.301 684 I C -0.106 176.050 176.117 0.065 0.000 0.984 684 I CA -1.086 60.265 61.300 0.084 0.000 1.204 684 I CB 2.026 40.069 38.000 0.070 0.000 1.362 684 I HN 0.053 nan 8.210 nan 0.000 0.471 685 V N 4.371 124.327 119.914 0.069 0.000 2.604 685 V HA 0.630 4.749 4.120 -0.000 0.000 0.305 685 V C -0.007 176.034 176.094 -0.088 0.000 1.043 685 V CA -0.650 61.604 62.300 -0.077 0.000 0.888 685 V CB 1.737 33.445 31.823 -0.191 0.000 0.995 685 V HN 0.829 nan 8.190 nan 0.000 0.429 686 A N 4.153 126.872 122.820 -0.167 0.000 2.276 686 A HA 0.746 5.065 4.320 -0.000 0.000 0.316 686 A C -1.382 176.112 177.584 -0.150 0.000 1.229 686 A CA -0.418 51.589 52.037 -0.051 0.000 0.851 686 A CB 0.417 19.397 19.000 -0.033 0.000 1.165 686 A HN 0.821 nan 8.150 nan 0.000 0.513 687 W N 2.762 124.165 121.300 0.172 0.000 2.278 687 W HA 0.522 5.182 4.660 -0.001 0.000 0.317 687 W C -0.634 175.943 176.519 0.096 0.000 1.030 687 W CA -0.543 56.901 57.345 0.166 0.000 1.334 687 W CB 1.373 31.006 29.460 0.287 0.000 1.215 687 W HN 0.383 nan 8.180 nan 0.000 0.405 688 V N 4.839 124.846 119.914 0.155 0.000 2.435 688 V HA 0.378 4.498 4.120 -0.000 0.000 0.290 688 V C -0.108 176.076 176.094 0.151 0.000 1.030 688 V CA -1.030 61.261 62.300 -0.014 0.000 0.881 688 V CB 1.061 32.579 31.823 -0.509 0.000 0.983 688 V HN 0.406 nan 8.190 nan 0.000 0.445 689 N N 4.268 123.083 118.700 0.192 0.000 2.456 689 N HA 0.715 5.455 4.740 -0.000 0.000 0.296 689 N C -0.958 174.750 175.510 0.329 0.000 1.102 689 N CA -0.434 52.806 53.050 0.316 0.000 0.924 689 N CB 2.417 41.118 38.487 0.357 0.000 1.186 689 N HN 0.503 nan 8.380 nan 0.000 0.492 690 L N 0.190 121.637 121.223 0.373 0.000 2.354 690 L HA 0.841 5.181 4.340 -0.000 0.000 0.269 690 L C 0.614 177.621 176.870 0.227 0.000 1.005 690 L CA -0.785 54.232 54.840 0.295 0.000 0.819 690 L CB 2.278 44.535 42.059 0.330 0.000 1.311 690 L HN 0.599 nan 8.230 nan 0.000 0.423 691 G N 1.577 110.450 108.800 0.121 0.000 2.600 691 G HA2 0.730 4.690 3.960 -0.000 0.000 0.293 691 G HA3 0.730 4.690 3.960 -0.000 0.000 0.293 691 G C -2.052 172.821 174.900 -0.046 0.000 1.408 691 G CA -0.551 44.590 45.100 0.069 0.000 0.782 691 G HN 0.374 nan 8.290 nan 0.000 0.482 692 L N 0.620 121.807 121.223 -0.059 0.000 2.493 692 L HA 0.412 4.752 4.340 -0.000 0.000 0.265 692 L C -1.189 175.610 176.870 -0.118 0.000 0.954 692 L CA -1.090 53.692 54.840 -0.096 0.000 0.844 692 L CB 2.669 44.745 42.059 0.028 0.000 1.302 692 L HN 0.513 nan 8.230 nan 0.000 0.405 693 H N 2.213 121.320 119.070 0.062 0.000 2.741 693 H HA 0.217 4.773 4.556 -0.000 0.000 0.282 693 H C -0.819 174.602 175.328 0.155 0.000 1.122 693 H CA -0.179 55.911 56.048 0.069 0.000 1.293 693 H CB 0.550 30.398 29.762 0.142 0.000 1.415 693 H HN 0.524 nan 8.280 nan 0.000 0.472 694 H N 3.776 122.827 119.070 -0.032 0.000 2.556 694 H HA 0.217 4.773 4.556 -0.001 0.000 0.310 694 H C -0.724 174.628 175.328 0.040 0.000 1.057 694 H CA -0.975 55.021 56.048 -0.087 0.000 1.264 694 H CB 0.823 30.423 29.762 -0.271 0.000 1.404 694 H HN 0.297 nan 8.280 nan 0.000 0.462 695 L N 9.097 130.466 121.223 0.242 0.000 2.387 695 L HA 0.393 4.732 4.340 -0.000 0.000 0.259 695 L C -2.614 174.298 176.870 0.069 0.000 1.050 695 L CA -1.871 53.035 54.840 0.109 0.000 0.922 695 L CB 0.821 42.848 42.059 -0.053 0.000 1.280 695 L HN 0.547 nan 8.230 nan 0.000 0.449 696 P HA 0.184 nan 4.420 nan 0.000 0.266 696 P C -1.129 176.206 177.300 0.058 0.000 1.195 696 P CA 0.153 63.259 63.100 0.010 0.000 0.768 696 P CB 0.561 32.239 31.700 -0.037 0.000 0.838 697 N N -1.201 117.544 118.700 0.074 0.000 3.379 697 N HA 0.279 5.019 4.740 -0.000 0.000 0.350 697 N C 0.941 176.479 175.510 0.046 0.000 1.553 697 N CA -0.552 52.521 53.050 0.039 0.000 0.712 697 N CB -0.120 38.383 38.487 0.026 0.000 1.880 697 N HN 0.129 nan 8.380 nan 0.000 0.648 698 S N -0.859 114.855 115.700 0.022 0.000 2.402 698 S HA -0.212 4.258 4.470 -0.000 0.000 0.233 698 S C 1.261 175.890 174.600 0.048 0.000 1.030 698 S CA 1.444 59.663 58.200 0.032 0.000 1.003 698 S CB -0.932 62.273 63.200 0.009 0.000 0.813 698 S HN 0.596 nan 8.310 nan 0.000 0.477 699 N N 1.903 120.630 118.700 0.046 0.000 2.609 699 N HA 0.033 4.773 4.740 -0.000 0.000 0.190 699 N C 0.366 175.912 175.510 0.060 0.000 1.157 699 N CA 0.783 53.860 53.050 0.045 0.000 0.918 699 N CB -0.203 38.306 38.487 0.037 0.000 0.978 699 N HN 0.546 nan 8.380 nan 0.000 0.448 700 D N -0.742 119.710 120.400 0.087 0.000 2.431 700 D HA 0.123 4.763 4.640 -0.000 0.000 0.213 700 D C -0.299 176.057 176.300 0.092 0.000 1.130 700 D CA 0.078 54.141 54.000 0.105 0.000 0.834 700 D CB 1.153 42.056 40.800 0.173 0.000 0.985 700 D HN 0.196 nan 8.370 nan 0.000 0.504 701 L N 2.131 123.411 121.223 0.095 0.000 2.341 701 L HA 0.281 4.621 4.340 -0.000 0.000 0.278 701 L C -1.396 175.528 176.870 0.091 0.000 1.005 701 L CA -1.529 53.392 54.840 0.135 0.000 0.818 701 L CB 2.459 44.645 42.059 0.211 0.000 1.259 701 L HN -0.264 nan 8.230 nan 0.000 0.418 702 P HA 0.046 nan 4.420 nan 0.000 0.231 702 P C -0.212 177.042 177.300 -0.076 0.000 1.168 702 P CA 0.601 63.733 63.100 0.055 0.000 0.779 702 P CB 0.420 32.119 31.700 -0.002 0.000 0.844 703 N N -1.466 117.147 118.700 -0.145 0.000 2.284 703 N HA 0.244 4.983 4.740 -0.000 0.000 0.289 703 N C -0.840 174.594 175.510 -0.126 0.000 1.179 703 N CA -0.353 52.551 53.050 -0.244 0.000 0.774 703 N CB 1.318 39.572 38.487 -0.389 0.000 1.548 703 N HN -0.310 nan 8.380 nan 0.000 0.473 704 T N 1.212 115.705 114.554 -0.102 0.000 2.900 704 T HA 0.367 4.717 4.350 -0.000 0.000 0.307 704 T C 0.484 175.053 174.700 -0.218 0.000 1.065 704 T CA -0.010 62.053 62.100 -0.062 0.000 1.105 704 T CB -0.066 68.812 68.868 0.018 0.000 0.979 704 T HN 0.402 nan 8.240 nan 0.000 0.544 705 I N -1.086 119.383 120.570 -0.169 0.000 2.525 705 I HA 0.465 4.635 4.170 -0.000 0.000 0.301 705 I C 0.376 176.396 176.117 -0.162 0.000 0.992 705 I CA -0.932 60.246 61.300 -0.204 0.000 1.162 705 I CB 1.227 39.173 38.000 -0.090 0.000 1.332 705 I HN 0.560 nan 8.210 nan 0.000 0.458 706 F N 1.997 121.895 119.950 -0.086 0.000 2.407 706 F HA -0.144 4.383 4.527 -0.001 0.000 0.299 706 F C 2.696 178.435 175.800 -0.102 0.000 1.097 706 F CA 1.085 59.023 58.000 -0.103 0.000 1.422 706 F CB 0.186 39.122 39.000 -0.107 0.000 1.067 706 F HN 0.765 nan 8.300 nan 0.000 0.539 707 S N -0.851 114.903 115.700 0.090 0.000 2.383 707 S HA -0.173 4.296 4.470 -0.000 0.000 0.227 707 S C 1.667 176.271 174.600 0.006 0.000 1.026 707 S CA 1.520 59.727 58.200 0.011 0.000 0.981 707 S CB -1.075 62.128 63.200 0.005 0.000 0.818 707 S HN 0.389 nan 8.310 nan 0.000 0.472 708 T N -1.520 113.045 114.554 0.018 0.000 3.092 708 T HA 0.671 5.021 4.350 -0.000 0.000 0.258 708 T C 0.312 175.020 174.700 0.013 0.000 1.031 708 T CA 0.053 62.166 62.100 0.022 0.000 0.925 708 T CB 0.449 69.325 68.868 0.012 0.000 1.036 708 T HN 0.497 nan 8.240 nan 0.000 0.544 709 A N 1.588 124.416 122.820 0.014 0.000 2.938 709 A HA 0.628 4.948 4.320 -0.000 0.000 0.344 709 A C -0.754 176.870 177.584 0.068 0.000 1.142 709 A CA -0.564 51.450 52.037 -0.038 0.000 0.841 709 A CB -0.169 18.737 19.000 -0.156 0.000 1.083 709 A HN 0.562 nan 8.150 nan 0.000 0.479 710 H N 0.601 119.641 119.070 -0.051 0.000 2.771 710 H HA 0.801 5.357 4.556 -0.001 0.000 0.361 710 H C -0.797 174.504 175.328 -0.044 0.000 1.108 710 H CA -0.138 55.882 56.048 -0.046 0.000 1.201 710 H CB 1.738 31.475 29.762 -0.042 0.000 1.681 710 H HN 0.669 nan 8.280 nan 0.000 0.534 711 A N 2.982 125.596 122.820 -0.344 0.000 2.515 711 A HA 0.757 5.076 4.320 -0.000 0.000 0.298 711 A C -1.112 176.230 177.584 -0.404 0.000 1.059 711 A CA -0.035 51.795 52.037 -0.345 0.000 0.698 711 A CB 1.280 20.229 19.000 -0.084 0.000 1.289 711 A HN 1.179 nan 8.150 nan 0.000 0.404 712 S N -0.116 115.387 115.700 -0.328 0.000 2.587 712 S HA 0.881 5.351 4.470 -0.000 0.000 0.269 712 S C -0.887 173.629 174.600 -0.140 0.000 1.154 712 S CA -0.543 57.474 58.200 -0.305 0.000 0.824 712 S CB 1.025 64.017 63.200 -0.348 0.000 1.118 712 S HN 1.967 nan 8.310 nan 0.000 0.462 713 F N -0.962 118.838 119.950 -0.250 0.000 2.643 713 F HA 0.880 5.407 4.527 -0.001 0.000 0.314 713 F C -1.037 174.635 175.800 -0.214 0.000 1.096 713 F CA -1.309 56.560 58.000 -0.220 0.000 0.953 713 F CB 1.440 40.349 39.000 -0.153 0.000 1.345 713 F HN 0.656 nan 8.300 nan 0.000 0.468 714 M N 2.531 122.146 119.600 0.025 0.000 2.602 714 M HA 0.574 5.053 4.480 -0.000 0.000 0.312 714 M C -1.503 174.860 176.300 0.105 0.000 1.181 714 M CA -0.762 54.506 55.300 -0.054 0.000 0.910 714 M CB 2.610 35.140 32.600 -0.116 0.000 1.723 714 M HN 0.607 nan 8.290 nan 0.000 0.459 715 L N 1.432 122.705 121.223 0.083 0.000 2.316 715 L HA 0.537 4.877 4.340 -0.000 0.000 0.280 715 L C -0.331 176.679 176.870 0.233 0.000 1.006 715 L CA -0.388 54.581 54.840 0.215 0.000 0.836 715 L CB 1.602 43.779 42.059 0.196 0.000 1.221 715 L HN 0.615 nan 8.230 nan 0.000 0.418 716 T N 3.786 118.400 114.554 0.099 0.000 2.876 716 T HA 0.529 4.879 4.350 -0.000 0.000 0.289 716 T C -2.696 171.663 174.700 -0.569 0.000 1.014 716 T CA -1.895 60.115 62.100 -0.150 0.000 0.986 716 T CB 2.021 70.825 68.868 -0.108 0.000 1.021 716 T HN 0.138 nan 8.240 nan 0.000 0.458 717 P HA 0.243 nan 4.420 nan 0.000 0.265 717 P C -1.374 175.768 177.300 -0.264 0.000 1.193 717 P CA 0.127 62.676 63.100 -0.917 0.000 0.765 717 P CB 0.025 31.452 31.700 -0.455 0.000 0.823 718 F N 3.856 123.641 119.950 -0.275 0.000 2.828 718 F HA 0.290 4.816 4.527 -0.001 0.000 0.355 718 F C 0.091 175.886 175.800 -0.009 0.000 1.200 718 F CA -0.476 57.463 58.000 -0.101 0.000 1.062 718 F CB 0.533 39.491 39.000 -0.070 0.000 1.351 718 F HN 0.255 nan 8.300 nan 0.000 0.504 719 N N 3.499 122.126 118.700 -0.123 0.000 2.708 719 N HA -0.340 4.400 4.740 -0.000 0.000 0.251 719 N C 0.596 176.148 175.510 0.070 0.000 1.123 719 N CA 1.428 54.477 53.050 -0.003 0.000 0.739 719 N CB -1.744 36.773 38.487 0.049 0.000 1.113 719 N HN 0.791 nan 8.380 nan 0.000 0.561 720 Y N -0.285 119.944 120.300 -0.118 0.000 2.314 720 Y HA 0.126 4.676 4.550 -0.000 0.000 0.293 720 Y C 0.568 176.252 175.900 -0.360 0.000 1.129 720 Y CA 1.248 59.190 58.100 -0.263 0.000 1.201 720 Y CB 0.203 38.391 38.460 -0.453 0.000 0.999 720 Y HN 0.077 nan 8.280 nan 0.000 0.541 721 F N -0.900 119.086 119.950 0.061 0.000 2.661 721 F HA 0.282 4.809 4.527 -0.001 0.000 0.347 721 F C 1.127 176.938 175.800 0.019 0.000 1.086 721 F CA -1.278 56.718 58.000 -0.007 0.000 1.016 721 F CB 0.287 39.329 39.000 0.069 0.000 1.368 721 F HN -0.375 nan 8.300 nan 0.000 0.505 722 D N -0.472 120.076 120.400 0.247 0.000 2.347 722 D HA 0.084 4.724 4.640 -0.000 0.000 0.213 722 D C 0.185 176.629 176.300 0.241 0.000 0.985 722 D CA 0.788 54.929 54.000 0.234 0.000 0.879 722 D CB 0.187 41.081 40.800 0.157 0.000 0.919 722 D HN 0.382 nan 8.370 nan 0.000 0.526 723 S N -1.195 114.622 115.700 0.194 0.000 2.643 723 S HA 0.234 4.704 4.470 -0.000 0.000 0.270 723 S C -0.782 173.893 174.600 0.125 0.000 1.166 723 S CA -1.010 57.259 58.200 0.115 0.000 0.815 723 S CB 2.550 65.784 63.200 0.057 0.000 1.139 723 S HN -0.132 nan 8.310 nan 0.000 0.472 724 E N 0.835 121.078 120.200 0.071 0.000 2.324 724 E HA 0.119 4.468 4.350 -0.000 0.000 0.271 724 E C -0.491 176.137 176.600 0.046 0.000 1.028 724 E CA 0.002 56.452 56.400 0.082 0.000 0.890 724 E CB 0.265 29.992 29.700 0.045 0.000 1.004 724 E HN 0.660 nan 8.360 nan 0.000 0.431 725 N N 2.734 121.478 118.700 0.073 0.000 2.378 725 N HA -0.010 4.730 4.740 -0.000 0.000 0.243 725 N C 0.473 176.010 175.510 0.045 0.000 1.137 725 N CA 0.053 53.078 53.050 -0.041 0.000 0.862 725 N CB 0.362 38.696 38.487 -0.256 0.000 1.116 725 N HN 0.348 nan 8.380 nan 0.000 0.499 726 S N -0.600 115.137 115.700 0.063 0.000 2.540 726 S HA 0.172 4.641 4.470 -0.000 0.000 0.218 726 S C 1.625 176.231 174.600 0.009 0.000 0.977 726 S CA -0.394 57.852 58.200 0.076 0.000 0.918 726 S CB 0.271 63.542 63.200 0.117 0.000 0.806 726 S HN 0.149 nan 8.310 nan 0.000 0.496 727 R N 2.724 123.206 120.500 -0.030 0.000 2.193 727 R HA -0.045 4.295 4.340 -0.000 0.000 0.229 727 R C 1.293 177.524 176.300 -0.114 0.000 1.110 727 R CA 1.469 57.527 56.100 -0.069 0.000 0.988 727 R CB -0.866 29.388 30.300 -0.077 0.000 0.871 727 R HN 0.780 nan 8.270 nan 0.000 0.458 728 D N -0.393 119.942 120.400 -0.107 0.000 2.349 728 D HA -0.056 4.584 4.640 -0.000 0.000 0.224 728 D C 0.521 176.751 176.300 -0.117 0.000 1.029 728 D CA 0.112 54.037 54.000 -0.125 0.000 0.879 728 D CB -0.373 40.354 40.800 -0.122 0.000 0.906 728 D HN -0.132 nan 8.370 nan 0.000 0.528 729 T N 0.445 114.946 114.554 -0.087 0.000 2.900 729 T HA 0.127 4.476 4.350 -0.000 0.000 0.307 729 T C 1.488 176.137 174.700 -0.085 0.000 1.065 729 T CA 0.605 62.670 62.100 -0.059 0.000 1.105 729 T CB 1.138 70.005 68.868 -0.003 0.000 0.979 729 T HN 0.238 nan 8.240 nan 0.000 0.544 730 T N 1.373 115.916 114.554 -0.018 0.000 3.100 730 T HA 0.126 4.476 4.350 -0.000 0.000 0.253 730 T C 0.708 175.503 174.700 0.159 0.000 1.118 730 T CA 0.014 62.141 62.100 0.045 0.000 1.058 730 T CB 0.170 69.111 68.868 0.122 0.000 0.953 730 T HN 0.521 nan 8.240 nan 0.000 0.515 731 Q N 3.000 122.883 119.800 0.139 0.000 3.027 731 Q HA 0.302 4.642 4.340 -0.000 0.000 0.260 731 Q C -0.015 176.135 176.000 0.250 0.000 1.379 731 Q CA 0.088 56.023 55.803 0.219 0.000 1.038 731 Q CB -0.272 28.576 28.738 0.184 0.000 1.578 731 Q HN 0.895 nan 8.270 nan 0.000 0.571 732 Q N -2.167 117.830 119.800 0.327 0.000 2.575 732 Q HA 0.724 5.064 4.340 -0.000 0.000 0.290 732 Q C -1.527 174.786 176.000 0.523 0.000 0.963 732 Q CA -0.926 55.079 55.803 0.335 0.000 0.783 732 Q CB 1.596 30.437 28.738 0.171 0.000 1.467 732 Q HN 0.046 nan 8.270 nan 0.000 0.402 733 V N 1.458 121.651 119.914 0.464 0.000 2.735 733 V HA 0.748 4.867 4.120 -0.000 0.000 0.310 733 V C -1.950 174.418 176.094 0.457 0.000 1.061 733 V CA -0.709 61.852 62.300 0.436 0.000 0.913 733 V CB 1.950 33.995 31.823 0.370 0.000 1.005 733 V HN 0.797 nan 8.190 nan 0.000 0.428 734 F N 7.417 127.459 119.950 0.153 0.000 2.500 734 F HA 0.556 5.083 4.527 -0.000 0.000 0.349 734 F C -1.294 174.469 175.800 -0.060 0.000 1.127 734 F CA -0.805 57.252 58.000 0.095 0.000 0.998 734 F CB 1.054 40.123 39.000 0.114 0.000 1.237 734 F HN 0.682 nan 8.300 nan 0.000 0.439 735 Y N 5.831 125.813 120.300 -0.531 0.000 2.342 735 Y HA 0.620 5.170 4.550 -0.000 0.000 0.334 735 Y C -0.578 174.831 175.900 -0.818 0.000 1.067 735 Y CA -0.372 57.240 58.100 -0.812 0.000 1.128 735 Y CB 1.444 39.351 38.460 -0.921 0.000 1.200 735 Y HN 0.618 nan 8.280 nan 0.000 0.464 736 T N 3.101 116.810 114.554 -1.409 0.000 2.906 736 T HA 0.420 4.770 4.350 -0.000 0.000 0.295 736 T C -1.851 172.258 174.700 -0.986 0.000 1.061 736 T CA -0.772 60.750 62.100 -0.964 0.000 1.000 736 T CB 1.664 70.124 68.868 -0.680 0.000 1.103 736 T HN 0.633 nan 8.240 nan 0.000 0.486 737 Y N 1.285 121.220 120.300 -0.608 0.000 2.391 737 Y HA 0.538 5.088 4.550 -0.000 0.000 0.341 737 Y C -1.175 174.593 175.900 -0.220 0.000 0.965 737 Y CA -1.073 56.794 58.100 -0.388 0.000 1.067 737 Y CB 1.780 40.142 38.460 -0.163 0.000 1.199 737 Y HN 0.827 nan 8.280 nan 0.000 0.450 738 D N 3.837 123.781 120.400 -0.759 0.000 2.274 738 D HA 0.159 4.798 4.640 -0.000 0.000 0.239 738 D C 0.005 175.906 176.300 -0.665 0.000 1.104 738 D CA -0.112 53.567 54.000 -0.535 0.000 0.840 738 D CB 1.403 41.984 40.800 -0.366 0.000 1.100 738 D HN 0.729 nan 8.370 nan 0.000 0.477 739 D N 2.519 122.742 120.400 -0.294 0.000 2.263 739 D HA -0.113 4.526 4.640 -0.000 0.000 0.208 739 D C 1.331 177.566 176.300 -0.109 0.000 0.971 739 D CA 1.034 54.965 54.000 -0.114 0.000 0.867 739 D CB 0.444 41.244 40.800 0.000 0.000 0.929 739 D HN 0.570 nan 8.370 nan 0.000 0.492 740 E N -0.151 119.966 120.200 -0.138 0.000 2.011 740 E HA -0.105 4.244 4.350 -0.000 0.000 0.191 740 E C 2.260 178.790 176.600 -0.117 0.000 0.980 740 E CA 1.565 57.906 56.400 -0.098 0.000 0.814 740 E CB -0.137 29.511 29.700 -0.088 0.000 0.775 740 E HN 0.346 nan 8.360 nan 0.000 0.454 741 T N -1.509 112.946 114.554 -0.166 0.000 2.951 741 T HA -0.078 4.271 4.350 -0.000 0.000 0.268 741 T C 0.630 175.233 174.700 -0.162 0.000 1.073 741 T CA 0.988 63.000 62.100 -0.147 0.000 1.134 741 T CB -0.116 68.662 68.868 -0.150 0.000 0.884 741 T HN 0.244 nan 8.240 nan 0.000 0.479 742 E N 0.338 120.350 120.200 -0.313 0.000 2.957 742 E HA -0.136 4.213 4.350 -0.000 0.000 0.287 742 E C -0.630 175.862 176.600 -0.179 0.000 0.976 742 E CA 0.381 56.639 56.400 -0.236 0.000 0.907 742 E CB -1.634 28.097 29.700 0.051 0.000 1.456 742 E HN 0.746 nan 8.360 nan 0.000 0.421 743 E N 0.457 120.454 120.200 -0.338 0.000 2.175 743 E HA 0.361 4.711 4.350 -0.000 0.000 0.278 743 E C -0.654 175.798 176.600 -0.247 0.000 0.969 743 E CA -0.270 56.017 56.400 -0.189 0.000 0.796 743 E CB 1.420 31.027 29.700 -0.156 0.000 1.104 743 E HN -0.038 nan 8.360 nan 0.000 0.395 744 S N 2.288 117.949 115.700 -0.066 0.000 2.585 744 S HA 0.323 4.792 4.470 -0.000 0.000 0.277 744 S C -0.356 174.082 174.600 -0.270 0.000 1.241 744 S CA -0.639 57.440 58.200 -0.201 0.000 1.041 744 S CB 0.835 64.065 63.200 0.050 0.000 0.987 744 S HN 0.493 nan 8.310 nan 0.000 0.512 745 N N 0.379 118.745 118.700 -0.557 0.000 2.249 745 N HA 0.521 5.260 4.740 -0.000 0.000 0.296 745 N C -2.182 173.002 175.510 -0.543 0.000 1.051 745 N CA -0.555 52.273 53.050 -0.370 0.000 0.815 745 N CB 0.864 39.167 38.487 -0.306 0.000 1.487 745 N HN 0.534 nan 8.380 nan 0.000 0.475 746 W N 1.796 122.935 121.300 -0.269 0.000 2.471 746 W HA 0.358 5.018 4.660 -0.001 0.000 0.318 746 W C -0.379 175.807 176.519 -0.555 0.000 1.034 746 W CA -0.631 56.456 57.345 -0.429 0.000 1.224 746 W CB 1.493 30.691 29.460 -0.438 0.000 1.335 746 W HN 0.404 nan 8.180 nan 0.000 0.452 747 E N 2.483 122.450 120.200 -0.389 0.000 2.129 747 E HA 0.409 4.759 4.350 -0.000 0.000 0.268 747 E C -0.891 175.414 176.600 -0.490 0.000 0.900 747 E CA -0.429 55.725 56.400 -0.409 0.000 0.755 747 E CB 0.439 29.914 29.700 -0.376 0.000 1.117 747 E HN 0.410 nan 8.360 nan 0.000 0.410 748 F N 3.345 123.286 119.950 -0.014 0.000 2.661 748 F HA 0.218 4.745 4.527 -0.000 0.000 0.306 748 F C -0.229 175.727 175.800 0.259 0.000 1.094 748 F CA -0.504 57.619 58.000 0.206 0.000 1.254 748 F CB 0.099 39.280 39.000 0.301 0.000 1.040 748 F HN 0.533 nan 8.300 nan 0.000 0.562 749 Y N 0.463 120.947 120.300 0.307 0.000 3.305 749 Y HA -0.224 4.325 4.550 -0.001 0.000 0.212 749 Y C 1.439 177.454 175.900 0.191 0.000 1.248 749 Y CA 0.463 58.690 58.100 0.211 0.000 1.359 749 Y CB -1.777 36.790 38.460 0.179 0.000 1.407 749 Y HN 0.358 nan 8.280 nan 0.000 0.572 750 G N -0.731 108.230 108.800 0.269 0.000 2.176 750 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.253 750 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.253 750 G C -0.091 174.909 174.900 0.167 0.000 0.979 750 G CA -0.048 45.166 45.100 0.190 0.000 0.641 750 G HN 0.477 nan 8.290 nan 0.000 0.530 751 N N 1.379 120.221 118.700 0.237 0.000 2.439 751 N HA 0.353 5.093 4.740 -0.000 0.000 0.249 751 N C -1.473 174.078 175.510 0.069 0.000 1.003 751 N CA -0.312 52.812 53.050 0.124 0.000 0.942 751 N CB 1.570 40.162 38.487 0.176 0.000 1.115 751 N HN 0.232 nan 8.380 nan 0.000 0.505 752 D N 1.954 122.324 120.400 -0.050 0.000 2.380 752 D HA 0.097 4.737 4.640 -0.000 0.000 0.230 752 D C 0.137 176.340 176.300 -0.162 0.000 1.154 752 D CA -0.460 53.504 54.000 -0.060 0.000 0.859 752 D CB 0.357 41.139 40.800 -0.030 0.000 1.045 752 D HN 0.432 nan 8.370 nan 0.000 0.495 753 W N 2.347 123.444 121.300 -0.339 0.000 3.180 753 W HA 0.106 4.765 4.660 -0.000 0.000 0.254 753 W C 0.970 177.359 176.519 -0.216 0.000 1.318 753 W CA -0.254 56.903 57.345 -0.313 0.000 1.608 753 W CB -0.191 28.967 29.460 -0.502 0.000 1.124 753 W HN 0.227 nan 8.180 nan 0.000 0.694 754 S N 0.913 116.609 115.700 -0.006 0.000 2.561 754 S HA -0.014 4.456 4.470 -0.000 0.000 0.294 754 S C 0.771 175.361 174.600 -0.017 0.000 1.294 754 S CA -0.131 58.061 58.200 -0.013 0.000 1.055 754 S CB 0.345 63.534 63.200 -0.018 0.000 0.819 754 S HN -0.001 nan 8.310 nan 0.000 0.503 755 S N 1.800 117.495 115.700 -0.008 0.000 2.558 755 S HA 0.222 4.692 4.470 -0.000 0.000 0.293 755 S C 0.410 174.996 174.600 -0.023 0.000 1.292 755 S CA -0.385 57.809 58.200 -0.011 0.000 1.063 755 S CB -0.726 62.471 63.200 -0.006 0.000 0.831 755 S HN 0.928 nan 8.310 nan 0.000 0.499 756 c N 0.980 119.562 118.600 -0.030 0.000 3.170 756 c HA 0.913 5.482 4.570 -0.000 0.000 0.319 756 c C 0.303 174.375 174.090 -0.030 0.000 1.260 756 c CA -0.996 55.313 56.329 -0.033 0.000 1.374 756 c CB 0.664 43.147 42.510 -0.046 0.000 1.739 756 c HN 0.879 nan 8.230 nan 0.000 0.479 757 G N 1.219 110.004 108.800 -0.025 0.000 2.400 757 G HA2 0.737 4.696 3.960 -0.000 0.000 0.301 757 G HA3 0.737 4.696 3.960 -0.000 0.000 0.301 757 G C -1.006 173.879 174.900 -0.025 0.000 1.154 757 G CA -0.240 44.848 45.100 -0.021 0.000 0.852 757 G HN 1.647 nan 8.290 nan 0.000 0.511 758 L N -1.235 119.975 121.223 -0.023 0.000 2.409 758 L HA 0.784 5.124 4.340 -0.000 0.000 0.255 758 L C -0.547 176.313 176.870 -0.018 0.000 1.027 758 L CA -1.688 53.138 54.840 -0.023 0.000 0.834 758 L CB 1.842 43.883 42.059 -0.030 0.000 1.426 758 L HN 0.559 nan 8.230 nan 0.000 0.411 759 E N 0.379 120.570 120.200 -0.016 0.000 2.174 759 E HA 0.572 4.922 4.350 -0.000 0.000 0.282 759 E C -1.316 175.275 176.600 -0.014 0.000 0.992 759 E CA -0.811 55.581 56.400 -0.012 0.000 0.803 759 E CB 1.577 31.270 29.700 -0.010 0.000 1.090 759 E HN 0.591 nan 8.360 nan 0.000 0.396 760 V N 7.805 127.711 119.914 -0.012 0.000 2.353 760 V HA 0.239 4.359 4.120 -0.000 0.000 0.264 760 V C -1.726 174.361 176.094 -0.013 0.000 1.049 760 V CA -1.277 61.013 62.300 -0.015 0.000 0.896 760 V CB 0.239 32.054 31.823 -0.014 0.000 1.025 760 V HN 0.702 nan 8.190 nan 0.000 0.475 761 P HA 0.283 nan 4.420 nan 0.000 0.282 761 P C -0.337 176.944 177.300 -0.031 0.000 1.249 761 P CA -0.552 62.535 63.100 -0.021 0.000 0.806 761 P CB 1.147 32.831 31.700 -0.026 0.000 0.984 762 E N 2.876 123.065 120.200 -0.018 0.000 2.344 762 E HA 0.174 4.524 4.350 -0.000 0.000 0.270 762 E C -1.862 174.647 176.600 -0.152 0.000 1.021 762 E CA -1.672 54.714 56.400 -0.023 0.000 0.887 762 E CB 0.061 29.794 29.700 0.055 0.000 0.997 762 E HN 0.295 nan 8.360 nan 0.000 0.429 763 P HA -0.036 nan 4.420 nan 0.000 0.270 763 P C -0.679 176.285 177.300 -0.561 0.000 1.227 763 P CA -0.160 62.612 63.100 -0.546 0.000 0.788 763 P CB 0.360 31.470 31.700 -0.982 0.000 0.926 764 N N 1.726 120.217 118.700 -0.347 0.000 3.210 764 N HA -0.010 4.729 4.740 -0.000 0.000 0.314 764 N C 0.548 175.973 175.510 -0.141 0.000 1.291 764 N CA 0.098 53.036 53.050 -0.186 0.000 1.202 764 N CB -1.062 37.361 38.487 -0.107 0.000 1.475 764 N HN 0.364 nan 8.380 nan 0.000 0.554 765 F N 1.265 121.231 119.950 0.027 0.000 2.202 765 F HA -0.210 4.316 4.527 -0.001 0.000 0.301 765 F C 2.479 178.323 175.800 0.073 0.000 1.082 765 F CA 1.044 59.072 58.000 0.047 0.000 1.313 765 F CB 0.038 39.069 39.000 0.053 0.000 1.024 765 F HN 0.297 nan 8.300 nan 0.000 0.495 766 E N 0.358 120.686 120.200 0.213 0.000 2.204 766 E HA -0.226 4.124 4.350 -0.000 0.000 0.195 766 E C 0.901 177.563 176.600 0.103 0.000 0.990 766 E CA 1.568 58.053 56.400 0.142 0.000 0.821 766 E CB -0.627 29.130 29.700 0.096 0.000 0.750 766 E HN 0.355 nan 8.360 nan 0.000 0.477 767 D N -0.131 120.313 120.400 0.073 0.000 2.347 767 D HA -0.055 4.585 4.640 -0.000 0.000 0.215 767 D C -0.244 176.097 176.300 0.069 0.000 0.976 767 D CA 0.400 54.418 54.000 0.031 0.000 0.884 767 D CB -0.345 40.431 40.800 -0.041 0.000 0.915 767 D HN 0.242 nan 8.370 nan 0.000 0.526 768 Y N 1.204 121.511 120.300 0.011 0.000 2.383 768 Y HA 0.305 4.855 4.550 -0.000 0.000 0.344 768 Y C -0.423 175.521 175.900 0.073 0.000 0.986 768 Y CA -0.114 58.007 58.100 0.035 0.000 1.175 768 Y CB 0.789 39.290 38.460 0.068 0.000 1.152 768 Y HN -0.339 nan 8.280 nan 0.000 0.511 769 T N 6.538 120.823 114.554 -0.448 0.000 2.861 769 T HA 0.154 4.504 4.350 -0.000 0.000 0.287 769 T C -1.310 173.093 174.700 -0.494 0.000 1.003 769 T CA -0.552 61.338 62.100 -0.349 0.000 0.977 769 T CB 0.647 69.451 68.868 -0.106 0.000 0.996 769 T HN 0.518 nan 8.240 nan 0.000 0.448 770 Y N 2.156 122.241 120.300 -0.358 0.000 2.788 770 Y HA 0.349 4.898 4.550 -0.000 0.000 0.341 770 Y C 0.839 176.753 175.900 0.024 0.000 1.258 770 Y CA 1.910 59.927 58.100 -0.138 0.000 1.503 770 Y CB -0.084 38.377 38.460 0.003 0.000 1.325 770 Y HN 1.092 nan 8.280 nan 0.000 0.614 771 G N 4.319 112.863 108.800 -0.427 0.000 2.406 771 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.680 771 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.680 771 G C -1.076 173.697 174.900 -0.212 0.000 1.338 771 G CA -1.010 43.961 45.100 -0.215 0.000 0.941 771 G HN 0.739 nan 8.290 nan 0.000 0.633 772 R N 0.721 121.026 120.500 -0.324 0.000 4.394 772 R HA 0.500 4.840 4.340 -0.000 0.000 0.257 772 R C 0.961 177.221 176.300 -0.066 0.000 1.727 772 R CA 0.621 56.486 56.100 -0.393 0.000 1.497 772 R CB -0.028 29.971 30.300 -0.503 0.000 1.406 772 R HN 2.095 nan 8.270 nan 0.000 0.745 773 G N 0.105 108.903 108.800 -0.003 0.000 2.629 773 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.686 773 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.686 773 G C -0.562 174.398 174.900 0.100 0.000 1.232 773 G CA -1.106 44.054 45.100 0.100 0.000 0.803 773 G HN 0.118 nan 8.290 nan 0.000 0.638 774 T N 1.832 116.424 114.554 0.063 0.000 2.728 774 T HA 0.737 5.087 4.350 -0.000 0.000 0.296 774 T C 1.073 175.752 174.700 -0.035 0.000 0.940 774 T CA 0.859 62.972 62.100 0.020 0.000 1.013 774 T CB 0.797 69.683 68.868 0.030 0.000 0.912 774 T HN 1.217 nan 8.240 nan 0.000 0.484 775 R N 0.000 120.416 120.500 -0.139 0.000 2.786 775 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 775 R CA 0.000 55.911 56.100 -0.314 0.000 0.921 775 R CB 0.000 29.993 30.300 -0.511 0.000 0.687 775 R HN 0.000 nan 8.270 nan 0.000 0.535