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 1ewf_1_A DATA FIRST_RESID 1 DATA SEQUENCE VNPGVVVRIS QKGLDYASQQ GTAALQKELK RIKIPDYSDS FKIKHLGKGH DATA SEQUENCE YSFYSMDIRE FQLPSSQISM VPNVGLKFSI SNANIKISGK WKAQKRFLKM DATA SEQUENCE SGNFDLSIEG MSISADLKLG SNPTSGKPTI TCSScSSHIN SVHVHISKSK DATA SEQUENCE VGWLIQLFHK KIESALRNKM NSQVcEKVTN SVSSELQPYF QTLPVMTKID DATA SEQUENCE SVAGINYGLV APPATTAETL DVQMKGEFYS ENHHNPPPFA PPVMEFPAAH DATA SEQUENCE DRMVYLGLSD YFFNTAGLVY QEAGVLKMTL RDDMIPKESK FRLTTKFFGT DATA SEQUENCE FLPEVAKKFP NMKIQIHVSA STPPHLSVQP TGLTFYPAVD VQAFAVLPNS DATA SEQUENCE ALASLFLIGM HTTGSMEVSA ESNRLVGELK LDRLLLELKH SNIGPFPVEL DATA SEQUENCE LQDIMNYIVP ILVLPRVNEK LQKGFPLPTP ARVQLYNVVL QPHQNFLLFG DATA SEQUENCE ADVVYK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.069 176.094 -0.042 0.000 1.182 1 V CA 0.000 62.280 62.300 -0.033 0.000 1.235 1 V CB 0.000 31.806 31.823 -0.028 0.000 1.184 2 N N 3.526 122.195 118.700 -0.051 0.000 2.707 2 N HA 0.545 5.285 4.740 -0.000 0.000 0.235 2 N C -2.957 172.500 175.510 -0.088 0.000 1.028 2 N CA -1.138 51.871 53.050 -0.068 0.000 0.906 2 N CB 1.975 40.421 38.487 -0.068 0.000 1.131 2 N HN 0.625 nan 8.380 nan 0.000 0.509 3 P HA 0.113 nan 4.420 nan 0.000 0.276 3 P C 0.734 178.001 177.300 -0.054 0.000 1.252 3 P CA -0.211 62.860 63.100 -0.049 0.000 0.802 3 P CB 1.250 32.943 31.700 -0.012 0.000 1.035 4 G N -0.107 108.697 108.800 0.007 0.000 2.464 4 G HA2 0.108 4.068 3.960 -0.000 0.000 0.217 4 G HA3 0.108 4.068 3.960 -0.000 0.000 0.217 4 G C 0.131 175.104 174.900 0.122 0.000 1.138 4 G CA 0.430 45.621 45.100 0.151 0.000 0.793 4 G HN 0.421 nan 8.290 nan 0.000 0.539 5 V N -0.471 119.476 119.914 0.055 0.000 2.808 5 V HA 0.567 4.686 4.120 -0.000 0.000 0.308 5 V C -1.111 174.987 176.094 0.007 0.000 1.099 5 V CA -0.791 61.496 62.300 -0.022 0.000 0.920 5 V CB 2.344 34.147 31.823 -0.034 0.000 1.014 5 V HN -0.033 nan 8.190 nan 0.000 0.425 6 V N 5.688 125.602 119.914 0.001 0.000 2.735 6 V HA 0.746 4.866 4.120 -0.000 0.000 0.310 6 V C -1.080 175.057 176.094 0.071 0.000 1.061 6 V CA -0.318 62.005 62.300 0.039 0.000 0.913 6 V CB 2.347 34.203 31.823 0.055 0.000 1.005 6 V HN 0.627 nan 8.190 nan 0.000 0.428 7 V N 7.392 127.347 119.914 0.068 0.000 2.350 7 V HA 0.557 4.676 4.120 -0.000 0.000 0.285 7 V C -0.010 176.152 176.094 0.113 0.000 1.014 7 V CA -0.618 61.732 62.300 0.084 0.000 0.831 7 V CB 1.569 33.413 31.823 0.034 0.000 1.000 7 V HN 0.905 nan 8.190 nan 0.000 0.433 8 R N 5.794 126.412 120.500 0.198 0.000 2.295 8 R HA 0.643 4.983 4.340 -0.000 0.000 0.324 8 R C -1.112 175.315 176.300 0.212 0.000 0.968 8 R CA -0.525 55.692 56.100 0.195 0.000 0.837 8 R CB 0.933 31.395 30.300 0.269 0.000 1.133 8 R HN 0.679 nan 8.270 nan 0.000 0.450 9 I N 4.218 124.868 120.570 0.133 0.000 2.331 9 I HA 0.176 4.346 4.170 -0.000 0.000 0.292 9 I C 0.593 176.794 176.117 0.141 0.000 0.998 9 I CA -0.526 60.849 61.300 0.126 0.000 1.267 9 I CB 1.793 39.838 38.000 0.074 0.000 1.386 9 I HN 0.739 nan 8.210 nan 0.000 0.476 10 S N 3.934 119.747 115.700 0.188 0.000 2.681 10 S HA 0.155 4.625 4.470 -0.000 0.000 0.270 10 S C 0.754 175.424 174.600 0.116 0.000 1.209 10 S CA -0.442 57.875 58.200 0.195 0.000 0.988 10 S CB 1.552 64.942 63.200 0.316 0.000 1.006 10 S HN 0.653 nan 8.310 nan 0.000 0.558 11 Q N 0.890 120.735 119.800 0.075 0.000 2.124 11 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 11 Q C 2.032 178.075 176.000 0.072 0.000 0.977 11 Q CA 2.069 57.892 55.803 0.034 0.000 0.850 11 Q CB -0.418 28.294 28.738 -0.042 0.000 0.901 11 Q HN 0.830 nan 8.270 nan 0.000 0.429 12 K N -1.154 119.306 120.400 0.100 0.000 2.063 12 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 12 K C 1.885 178.558 176.600 0.122 0.000 1.048 12 K CA 1.478 57.830 56.287 0.107 0.000 0.928 12 K CB -0.611 31.953 32.500 0.106 0.000 0.713 12 K HN 0.369 nan 8.250 nan 0.000 0.442 13 G N 1.117 109.986 108.800 0.115 0.000 2.408 13 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.217 13 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.217 13 G C 1.479 176.482 174.900 0.172 0.000 1.150 13 G CA 0.508 45.691 45.100 0.139 0.000 0.776 13 G HN 0.216 nan 8.290 nan 0.000 0.542 14 L N 0.413 121.710 121.223 0.123 0.000 2.141 14 L HA -0.012 4.328 4.340 -0.000 0.000 0.209 14 L C 2.349 179.289 176.870 0.116 0.000 1.094 14 L CA 0.749 55.651 54.840 0.103 0.000 0.763 14 L CB -0.277 41.822 42.059 0.066 0.000 0.908 14 L HN 0.082 nan 8.230 nan 0.000 0.437 15 D N -0.631 119.844 120.400 0.125 0.000 2.117 15 D HA -0.233 4.407 4.640 -0.000 0.000 0.197 15 D C 1.893 178.290 176.300 0.160 0.000 0.987 15 D CA 1.294 55.369 54.000 0.125 0.000 0.829 15 D CB -0.140 40.731 40.800 0.119 0.000 0.961 15 D HN 0.276 nan 8.370 nan 0.000 0.460 16 Y N 1.488 121.826 120.300 0.064 0.000 2.200 16 Y HA -0.076 4.474 4.550 -0.000 0.000 0.290 16 Y C 2.242 178.168 175.900 0.044 0.000 1.137 16 Y CA 1.402 59.540 58.100 0.064 0.000 1.163 16 Y CB -0.378 38.127 38.460 0.075 0.000 0.988 16 Y HN -0.060 nan 8.280 nan 0.000 0.518 17 A N -1.128 121.734 122.820 0.070 0.000 1.933 17 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 17 A C 2.498 180.018 177.584 -0.106 0.000 1.175 17 A CA 1.843 53.848 52.037 -0.053 0.000 0.628 17 A CB -1.331 17.723 19.000 0.090 0.000 0.814 17 A HN 0.495 nan 8.150 nan 0.000 0.444 18 S N -0.737 114.964 115.700 0.001 0.000 2.356 18 S HA -0.276 4.194 4.470 -0.000 0.000 0.223 18 S C 2.250 176.869 174.600 0.031 0.000 1.032 18 S CA 1.821 60.071 58.200 0.083 0.000 1.005 18 S CB -0.402 62.907 63.200 0.182 0.000 0.867 18 S HN 0.713 nan 8.310 nan 0.000 0.449 19 Q N -0.388 119.387 119.800 -0.041 0.000 2.084 19 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 19 Q C 2.139 178.049 176.000 -0.150 0.000 0.978 19 Q CA 1.504 57.264 55.803 -0.071 0.000 0.844 19 Q CB -0.198 28.489 28.738 -0.084 0.000 0.898 19 Q HN 0.515 nan 8.270 nan 0.000 0.426 20 Q N -0.562 119.059 119.800 -0.298 0.000 2.083 20 Q HA -0.052 4.288 4.340 -0.000 0.000 0.198 20 Q C 2.080 177.930 176.000 -0.249 0.000 0.969 20 Q CA 1.501 57.123 55.803 -0.301 0.000 0.838 20 Q CB -0.583 27.845 28.738 -0.516 0.000 0.900 20 Q HN 0.539 nan 8.270 nan 0.000 0.436 21 G N 0.085 108.723 108.800 -0.270 0.000 2.422 21 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.218 21 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.218 21 G C 1.432 176.209 174.900 -0.205 0.000 1.140 21 G CA 1.180 46.110 45.100 -0.284 0.000 0.775 21 G HN 0.311 nan 8.290 nan 0.000 0.545 22 T N 1.462 115.963 114.554 -0.089 0.000 2.821 22 T HA 0.069 4.419 4.350 -0.000 0.000 0.267 22 T C 2.822 177.513 174.700 -0.015 0.000 1.046 22 T CA 1.292 63.417 62.100 0.042 0.000 1.139 22 T CB -0.248 68.709 68.868 0.148 0.000 0.871 22 T HN 0.352 nan 8.240 nan 0.000 0.454 23 A N 1.494 124.290 122.820 -0.040 0.000 1.877 23 A HA 0.128 4.447 4.320 -0.000 0.000 0.216 23 A C 2.630 180.186 177.584 -0.047 0.000 1.186 23 A CA 1.871 53.889 52.037 -0.033 0.000 0.620 23 A CB -1.114 17.869 19.000 -0.029 0.000 0.822 23 A HN 0.500 nan 8.150 nan 0.000 0.443 24 A N -0.582 122.194 122.820 -0.073 0.000 1.877 24 A HA -0.033 4.286 4.320 -0.000 0.000 0.216 24 A C 2.138 179.671 177.584 -0.085 0.000 1.186 24 A CA 1.722 53.713 52.037 -0.076 0.000 0.620 24 A CB -0.665 18.274 19.000 -0.103 0.000 0.822 24 A HN 0.711 nan 8.150 nan 0.000 0.443 25 L N -0.062 121.099 121.223 -0.104 0.000 2.083 25 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 25 L C 2.518 179.303 176.870 -0.142 0.000 1.083 25 L CA 2.577 57.349 54.840 -0.113 0.000 0.752 25 L CB -0.635 41.364 42.059 -0.099 0.000 0.899 25 L HN 0.629 nan 8.230 nan 0.000 0.433 26 Q N -0.578 119.153 119.800 -0.116 0.000 2.124 26 Q HA -0.251 4.089 4.340 -0.000 0.000 0.202 26 Q C 2.088 178.024 176.000 -0.107 0.000 0.977 26 Q CA 1.810 57.530 55.803 -0.137 0.000 0.850 26 Q CB -0.017 28.696 28.738 -0.043 0.000 0.901 26 Q HN 0.551 nan 8.270 nan 0.000 0.429 27 K N 0.104 120.464 120.400 -0.066 0.000 2.097 27 K HA -0.141 4.179 4.320 -0.000 0.000 0.205 27 K C 1.935 178.506 176.600 -0.048 0.000 1.050 27 K CA 1.528 57.792 56.287 -0.038 0.000 0.938 27 K CB 0.033 32.517 32.500 -0.027 0.000 0.718 27 K HN 0.341 nan 8.250 nan 0.000 0.442 28 E N 0.906 121.062 120.200 -0.073 0.000 2.107 28 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 28 E C 2.038 178.586 176.600 -0.088 0.000 0.982 28 E CA 0.644 57.004 56.400 -0.066 0.000 0.809 28 E CB -0.012 29.647 29.700 -0.068 0.000 0.756 28 E HN 0.203 nan 8.360 nan 0.000 0.459 29 L N 1.038 122.145 121.223 -0.194 0.000 2.093 29 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 29 L C 2.549 179.374 176.870 -0.075 0.000 1.085 29 L CA 1.030 55.683 54.840 -0.311 0.000 0.755 29 L CB -0.270 41.208 42.059 -0.968 0.000 0.904 29 L HN 0.028 nan 8.230 nan 0.000 0.435 30 K N 0.415 120.804 120.400 -0.018 0.000 2.360 30 K HA -0.137 4.183 4.320 -0.000 0.000 0.201 30 K C 1.908 178.571 176.600 0.105 0.000 1.046 30 K CA 0.976 57.347 56.287 0.140 0.000 0.945 30 K CB 0.124 32.684 32.500 0.100 0.000 0.750 30 K HN 0.237 nan 8.250 nan 0.000 0.464 31 R N 0.163 120.697 120.500 0.056 0.000 2.317 31 R HA 0.190 4.530 4.340 -0.000 0.000 0.208 31 R C 0.133 176.472 176.300 0.065 0.000 0.914 31 R CA -0.231 55.899 56.100 0.050 0.000 1.060 31 R CB 0.134 30.449 30.300 0.025 0.000 1.015 31 R HN 0.122 nan 8.270 nan 0.000 0.498 32 I N 2.410 123.034 120.570 0.090 0.000 2.826 32 I HA -0.127 4.043 4.170 -0.000 0.000 0.295 32 I C 0.807 176.986 176.117 0.103 0.000 1.213 32 I CA 0.730 62.091 61.300 0.103 0.000 1.436 32 I CB 0.324 38.417 38.000 0.156 0.000 1.348 32 I HN 0.120 nan 8.210 nan 0.000 0.570 33 K N 8.143 128.595 120.400 0.088 0.000 2.264 33 K HA 0.530 4.850 4.320 -0.000 0.000 0.277 33 K C -0.546 176.117 176.600 0.105 0.000 1.067 33 K CA -0.405 55.933 56.287 0.086 0.000 0.900 33 K CB 0.199 32.738 32.500 0.065 0.000 1.124 33 K HN 0.554 nan 8.250 nan 0.000 0.469 34 I N 4.261 124.909 120.570 0.130 0.000 2.441 34 I HA 0.206 4.376 4.170 -0.000 0.000 0.287 34 I C -1.968 174.248 176.117 0.166 0.000 1.049 34 I CA -1.948 59.457 61.300 0.175 0.000 1.381 34 I CB 1.431 39.560 38.000 0.215 0.000 1.409 34 I HN 0.513 nan 8.210 nan 0.000 0.523 35 P HA 0.121 nan 4.420 nan 0.000 0.272 35 P C -0.974 176.321 177.300 -0.007 0.000 1.230 35 P CA -0.334 62.757 63.100 -0.014 0.000 0.788 35 P CB 0.473 32.054 31.700 -0.199 0.000 0.949 36 D N 0.564 120.953 120.400 -0.018 0.000 2.341 36 D HA 0.177 4.817 4.640 -0.000 0.000 0.245 36 D C -0.573 175.648 176.300 -0.133 0.000 1.106 36 D CA 0.594 54.666 54.000 0.120 0.000 0.905 36 D CB 0.121 41.008 40.800 0.144 0.000 1.202 36 D HN 0.267 nan 8.370 nan 0.000 0.426 37 Y N 0.205 120.657 120.300 0.253 0.000 2.331 37 Y HA 0.363 4.913 4.550 -0.000 0.000 0.334 37 Y C 0.148 176.164 175.900 0.194 0.000 0.960 37 Y CA -0.516 57.702 58.100 0.197 0.000 1.130 37 Y CB 1.734 40.317 38.460 0.206 0.000 1.164 37 Y HN 0.094 nan 8.280 nan 0.000 0.458 38 S N 2.334 118.130 115.700 0.161 0.000 2.568 38 S HA 0.654 5.124 4.470 -0.000 0.000 0.293 38 S C -1.423 173.129 174.600 -0.081 0.000 1.089 38 S CA -0.704 57.518 58.200 0.036 0.000 0.945 38 S CB 2.300 65.499 63.200 -0.001 0.000 1.077 38 S HN 0.682 nan 8.310 nan 0.000 0.485 39 D N -0.198 119.992 120.400 -0.351 0.000 2.779 39 D HA 0.492 5.132 4.640 -0.000 0.000 0.331 39 D C -1.282 174.790 176.300 -0.380 0.000 1.331 39 D CA -0.204 53.591 54.000 -0.341 0.000 0.866 39 D CB 1.920 42.552 40.800 -0.280 0.000 1.409 39 D HN 0.593 nan 8.370 nan 0.000 0.486 40 S N -0.491 115.130 115.700 -0.132 0.000 2.677 40 S HA 0.924 5.394 4.470 -0.000 0.000 0.304 40 S C -0.770 173.955 174.600 0.207 0.000 1.108 40 S CA -0.624 57.496 58.200 -0.133 0.000 0.944 40 S CB 1.814 64.837 63.200 -0.295 0.000 1.127 40 S HN 0.462 nan 8.310 nan 0.000 0.511 41 F N -1.656 118.318 119.950 0.041 0.000 2.715 41 F HA 0.805 5.332 4.527 -0.000 0.000 0.318 41 F C -1.412 174.391 175.800 0.004 0.000 1.141 41 F CA -1.195 56.871 58.000 0.110 0.000 0.950 41 F CB 1.541 40.692 39.000 0.252 0.000 1.374 41 F HN 0.606 nan 8.300 nan 0.000 0.477 42 K N 3.239 123.803 120.400 0.274 0.000 2.992 42 K HA 0.523 4.843 4.320 -0.000 0.000 0.178 42 K C -1.587 175.153 176.600 0.233 0.000 1.122 42 K CA -0.304 56.059 56.287 0.127 0.000 0.926 42 K CB 1.769 34.293 32.500 0.040 0.000 1.121 42 K HN 0.741 nan 8.250 nan 0.000 0.610 43 I N 0.273 121.090 120.570 0.410 0.000 2.617 43 I HA 0.150 4.319 4.170 -0.000 0.000 0.269 43 I C -0.209 175.828 176.117 -0.133 0.000 1.315 43 I CA 0.062 61.436 61.300 0.123 0.000 1.162 43 I CB 0.226 38.283 38.000 0.095 0.000 1.451 43 I HN 0.434 nan 8.210 nan 0.000 0.454 44 K N 3.583 123.869 120.400 -0.190 0.000 2.409 44 K HA 0.174 4.493 4.320 -0.000 0.000 0.260 44 K C 0.841 176.783 176.600 -1.097 0.000 0.988 44 K CA 2.570 58.609 56.287 -0.414 0.000 0.912 44 K CB -1.067 31.270 32.500 -0.273 0.000 0.908 44 K HN 2.406 nan 8.250 nan 0.000 0.521 45 H N -2.479 116.146 119.070 -0.743 0.000 1.872 45 H HA 0.377 4.933 4.556 -0.000 0.000 0.116 45 H C 0.291 175.465 175.328 -0.256 0.000 0.658 45 H CA 0.325 56.002 56.048 -0.619 0.000 0.438 45 H CB -0.666 28.641 29.762 -0.759 0.000 0.338 45 H HN 1.481 nan 8.280 nan 0.000 0.228 46 L N 0.486 121.562 121.223 -0.244 0.000 5.624 46 L HA 0.270 4.610 4.340 -0.000 0.000 0.236 46 L C 1.615 178.463 176.870 -0.038 0.000 1.222 46 L CA 0.501 55.281 54.840 -0.100 0.000 0.818 46 L CB -0.923 41.110 42.059 -0.043 0.000 1.495 46 L HN 1.539 nan 8.230 nan 0.000 0.292 47 G N 4.819 113.599 108.800 -0.033 0.000 3.359 47 G HA2 -0.448 3.512 3.960 -0.000 0.000 0.338 47 G HA3 -0.448 3.512 3.960 -0.000 0.000 0.338 47 G C 1.442 176.328 174.900 -0.024 0.000 1.486 47 G CA 1.739 46.842 45.100 0.005 0.000 1.570 47 G HN 0.726 nan 8.290 nan 0.000 1.093 48 K N 1.036 121.339 120.400 -0.161 0.000 2.050 48 K HA -0.242 4.078 4.320 -0.000 0.000 0.233 48 K C 2.078 178.193 176.600 -0.809 0.000 0.929 48 K CA 1.433 57.509 56.287 -0.351 0.000 1.037 48 K CB -1.778 30.581 32.500 -0.234 0.000 0.663 48 K HN 1.025 nan 8.250 nan 0.000 0.589 49 G N 2.072 110.390 108.800 -0.804 0.000 3.309 49 G HA2 -0.204 3.755 3.960 -0.000 0.000 1.021 49 G HA3 -0.204 3.755 3.960 -0.000 0.000 1.021 49 G C 0.040 174.311 174.900 -1.049 0.000 1.224 49 G CA 0.531 45.118 45.100 -0.856 0.000 1.537 49 G HN 0.600 nan 8.290 nan 0.000 0.889 50 H N -2.110 116.922 119.070 -0.063 0.000 2.946 50 H HA 0.545 5.101 4.556 -0.000 0.000 0.365 50 H C -0.900 174.715 175.328 0.478 0.000 1.197 50 H CA 0.062 56.197 56.048 0.145 0.000 1.131 50 H CB 2.303 32.069 29.762 0.007 0.000 1.849 50 H HN 0.747 nan 8.280 nan 0.000 0.555 51 Y N -1.390 119.167 120.300 0.429 0.000 2.670 51 Y HA 0.596 5.146 4.550 -0.000 0.000 0.334 51 Y C -1.072 174.963 175.900 0.226 0.000 1.185 51 Y CA -0.957 57.337 58.100 0.325 0.000 1.053 51 Y CB 1.675 40.330 38.460 0.324 0.000 1.298 51 Y HN 0.549 nan 8.280 nan 0.000 0.459 52 S N 0.876 116.749 115.700 0.288 0.000 2.537 52 S HA 0.738 5.208 4.470 -0.000 0.000 0.270 52 S C -2.363 172.355 174.600 0.196 0.000 1.142 52 S CA -0.615 57.739 58.200 0.257 0.000 0.870 52 S CB 0.746 64.046 63.200 0.166 0.000 1.112 52 S HN 0.566 nan 8.310 nan 0.000 0.466 53 F N 4.953 125.186 119.950 0.471 0.000 2.427 53 F HA 0.627 5.154 4.527 -0.000 0.000 0.348 53 F C -0.088 176.053 175.800 0.568 0.000 1.125 53 F CA -0.349 57.887 58.000 0.393 0.000 0.989 53 F CB 1.303 40.378 39.000 0.126 0.000 1.165 53 F HN 0.695 nan 8.300 nan 0.000 0.442 54 Y N -1.309 119.284 120.300 0.488 0.000 2.715 54 Y HA 0.597 5.147 4.550 -0.000 0.000 0.331 54 Y C 0.298 176.360 175.900 0.269 0.000 1.197 54 Y CA -2.624 55.677 58.100 0.336 0.000 1.079 54 Y CB 0.738 39.313 38.460 0.192 0.000 1.298 54 Y HN 0.285 nan 8.280 nan 0.000 0.477 55 S N 0.698 116.563 115.700 0.276 0.000 3.559 55 S HA -0.220 4.250 4.470 -0.000 0.000 0.369 55 S C -0.352 174.266 174.600 0.030 0.000 0.987 55 S CA 0.919 59.190 58.200 0.119 0.000 1.187 55 S CB -1.567 61.664 63.200 0.052 0.000 0.914 55 S HN 0.600 nan 8.310 nan 0.000 0.480 56 M N 1.406 121.070 119.600 0.106 0.000 2.250 56 M HA 0.312 4.792 4.480 -0.000 0.000 0.344 56 M C -0.120 176.203 176.300 0.038 0.000 1.150 56 M CA 0.228 55.560 55.300 0.053 0.000 1.147 56 M CB 0.621 33.332 32.600 0.186 0.000 1.498 56 M HN 0.078 nan 8.290 nan 0.000 0.461 57 D N 2.363 122.756 120.400 -0.012 0.000 2.819 57 D HA 0.431 5.071 4.640 -0.000 0.000 0.232 57 D C -0.871 175.432 176.300 0.004 0.000 1.160 57 D CA -0.311 53.694 54.000 0.008 0.000 0.858 57 D CB 1.805 42.600 40.800 -0.008 0.000 1.610 57 D HN 0.416 nan 8.370 nan 0.000 0.481 58 I N 2.897 123.492 120.570 0.042 0.000 2.363 58 I HA 0.112 4.281 4.170 -0.000 0.000 0.292 58 I C 1.638 177.778 176.117 0.038 0.000 1.075 58 I CA -0.320 61.008 61.300 0.047 0.000 1.333 58 I CB 0.770 38.845 38.000 0.125 0.000 1.415 58 I HN 0.108 nan 8.210 nan 0.000 0.502 59 R N 4.050 124.554 120.500 0.007 0.000 2.100 59 R HA 0.138 4.478 4.340 -0.000 0.000 0.220 59 R C 0.381 176.697 176.300 0.027 0.000 1.091 59 R CA 0.674 56.778 56.100 0.006 0.000 0.986 59 R CB -0.029 30.261 30.300 -0.018 0.000 0.888 59 R HN 0.645 nan 8.270 nan 0.000 0.444 60 E N -0.742 119.475 120.200 0.029 0.000 2.321 60 E HA 0.240 4.590 4.350 -0.000 0.000 0.278 60 E C -1.807 174.841 176.600 0.079 0.000 0.902 60 E CA -0.484 55.950 56.400 0.057 0.000 0.758 60 E CB 1.386 31.101 29.700 0.026 0.000 1.213 60 E HN -0.135 nan 8.360 nan 0.000 0.426 61 F N 3.718 123.677 119.950 0.016 0.000 2.676 61 F HA 0.316 4.843 4.527 -0.000 0.000 0.371 61 F C -0.764 175.049 175.800 0.021 0.000 1.141 61 F CA -0.407 57.606 58.000 0.022 0.000 1.133 61 F CB 1.273 40.289 39.000 0.027 0.000 1.376 61 F HN 0.435 nan 8.300 nan 0.000 0.491 62 Q N 5.843 125.778 119.800 0.225 0.000 2.295 62 Q HA 0.440 4.780 4.340 -0.000 0.000 0.259 62 Q C -0.820 175.294 176.000 0.190 0.000 0.976 62 Q CA -0.118 55.779 55.803 0.156 0.000 0.923 62 Q CB 1.562 30.341 28.738 0.069 0.000 1.185 62 Q HN 0.597 nan 8.270 nan 0.000 0.410 63 L N 5.419 126.733 121.223 0.152 0.000 2.457 63 L HA 0.254 4.594 4.340 -0.000 0.000 0.252 63 L C -1.818 175.097 176.870 0.076 0.000 1.132 63 L CA -1.531 53.384 54.840 0.124 0.000 0.938 63 L CB 0.956 43.085 42.059 0.117 0.000 1.246 63 L HN 0.448 nan 8.230 nan 0.000 0.476 64 P HA -0.120 nan 4.420 nan 0.000 0.216 64 P C 0.212 177.531 177.300 0.031 0.000 1.153 64 P CA 1.011 64.134 63.100 0.039 0.000 0.858 64 P CB 0.243 31.960 31.700 0.029 0.000 0.789 65 S N -2.949 112.765 115.700 0.023 0.000 2.550 65 S HA 0.669 5.139 4.470 -0.000 0.000 0.270 65 S C -0.751 173.843 174.600 -0.011 0.000 1.145 65 S CA -0.522 57.686 58.200 0.014 0.000 0.852 65 S CB 1.971 65.175 63.200 0.007 0.000 1.119 65 S HN 0.164 nan 8.310 nan 0.000 0.465 66 S N 0.734 116.426 115.700 -0.013 0.000 2.638 66 S HA 0.829 5.299 4.470 -0.000 0.000 0.274 66 S C -1.603 172.971 174.600 -0.042 0.000 1.157 66 S CA -0.806 57.348 58.200 -0.078 0.000 0.826 66 S CB 1.690 64.894 63.200 0.007 0.000 1.139 66 S HN 0.917 nan 8.310 nan 0.000 0.474 67 Q N 0.042 119.784 119.800 -0.098 0.000 2.462 67 Q HA 0.565 4.905 4.340 -0.000 0.000 0.285 67 Q C -1.667 174.354 176.000 0.036 0.000 1.035 67 Q CA -0.918 54.878 55.803 -0.013 0.000 0.799 67 Q CB 2.015 30.731 28.738 -0.036 0.000 1.452 67 Q HN 0.626 nan 8.270 nan 0.000 0.404 68 I N 1.553 122.176 120.570 0.087 0.000 2.436 68 I HA 0.374 4.544 4.170 -0.000 0.000 0.289 68 I C -0.612 175.536 176.117 0.052 0.000 1.010 68 I CA -0.280 61.091 61.300 0.118 0.000 1.098 68 I CB 1.762 39.842 38.000 0.133 0.000 1.266 68 I HN 0.534 nan 8.210 nan 0.000 0.434 69 S N 7.122 122.843 115.700 0.036 0.000 2.489 69 S HA 0.572 5.042 4.470 -0.000 0.000 0.291 69 S C -0.020 174.585 174.600 0.009 0.000 1.151 69 S CA -0.646 57.560 58.200 0.011 0.000 1.082 69 S CB 1.661 64.861 63.200 0.000 0.000 1.019 69 S HN 0.452 nan 8.310 nan 0.000 0.492 70 M N 3.115 122.713 119.600 -0.003 0.000 2.084 70 M HA 0.290 4.770 4.480 -0.000 0.000 0.351 70 M C -1.051 175.242 176.300 -0.012 0.000 1.240 70 M CA -0.435 54.860 55.300 -0.009 0.000 1.083 70 M CB 0.820 33.410 32.600 -0.016 0.000 1.593 70 M HN 0.291 nan 8.290 nan 0.000 0.463 71 V N 6.778 126.686 119.914 -0.010 0.000 2.318 71 V HA 0.275 4.395 4.120 -0.000 0.000 0.271 71 V C -2.176 173.910 176.094 -0.015 0.000 1.030 71 V CA -1.912 60.382 62.300 -0.010 0.000 0.844 71 V CB 0.493 32.313 31.823 -0.005 0.000 1.015 71 V HN 0.641 nan 8.190 nan 0.000 0.460 72 P HA 0.073 nan 4.420 nan 0.000 0.261 72 P C 0.499 177.788 177.300 -0.018 0.000 1.183 72 P CA 0.458 63.547 63.100 -0.020 0.000 0.761 72 P CB 0.116 31.804 31.700 -0.020 0.000 0.785 73 N N 0.632 119.319 118.700 -0.021 0.000 2.753 73 N HA -0.145 4.595 4.740 -0.000 0.000 0.251 73 N C 0.452 175.952 175.510 -0.017 0.000 1.097 73 N CA 1.001 54.039 53.050 -0.020 0.000 0.786 73 N CB -1.567 36.909 38.487 -0.018 0.000 1.137 73 N HN 0.231 nan 8.380 nan 0.000 0.566 74 V N -2.195 117.710 119.914 -0.016 0.000 3.029 74 V HA 0.568 4.688 4.120 -0.000 0.000 0.230 74 V C 1.413 177.498 176.094 -0.014 0.000 1.254 74 V CA 1.267 63.560 62.300 -0.012 0.000 1.276 74 V CB 0.919 32.737 31.823 -0.008 0.000 1.080 74 V HN 0.648 nan 8.190 nan 0.000 0.495 75 G N -0.139 108.651 108.800 -0.016 0.000 2.334 75 G HA2 0.188 4.148 3.960 -0.000 0.000 0.249 75 G HA3 0.188 4.148 3.960 -0.000 0.000 0.249 75 G C -1.873 173.019 174.900 -0.014 0.000 1.327 75 G CA -0.629 44.459 45.100 -0.020 0.000 0.979 75 G HN 0.159 nan 8.290 nan 0.000 0.471 76 L N 0.397 121.615 121.223 -0.008 0.000 2.330 76 L HA 0.739 5.078 4.340 -0.000 0.000 0.271 76 L C 0.042 176.934 176.870 0.037 0.000 1.013 76 L CA -0.899 53.947 54.840 0.010 0.000 0.816 76 L CB 2.166 44.227 42.059 0.002 0.000 1.287 76 L HN 0.592 nan 8.230 nan 0.000 0.435 77 K N 2.038 122.470 120.400 0.053 0.000 2.413 77 K HA 0.386 4.706 4.320 -0.000 0.000 0.257 77 K C -1.590 175.081 176.600 0.119 0.000 0.946 77 K CA -0.546 55.782 56.287 0.069 0.000 0.823 77 K CB 1.439 33.957 32.500 0.030 0.000 1.109 77 K HN 0.363 nan 8.250 nan 0.000 0.427 78 F N 2.839 122.786 119.950 -0.005 0.000 2.408 78 F HA 0.446 4.973 4.527 -0.000 0.000 0.344 78 F C -0.912 174.891 175.800 0.004 0.000 1.112 78 F CA -0.059 57.938 58.000 -0.004 0.000 1.096 78 F CB 1.356 40.352 39.000 -0.007 0.000 1.129 78 F HN 0.383 nan 8.300 nan 0.000 0.486 79 S N 6.174 121.408 115.700 -0.776 0.000 2.549 79 S HA 0.695 5.165 4.470 -0.000 0.000 0.280 79 S C -1.065 173.133 174.600 -0.671 0.000 1.109 79 S CA -0.658 57.190 58.200 -0.586 0.000 0.905 79 S CB 1.778 64.829 63.200 -0.250 0.000 1.081 79 S HN 0.537 nan 8.310 nan 0.000 0.477 80 I N 1.680 122.003 120.570 -0.413 0.000 2.447 80 I HA 0.301 4.471 4.170 -0.000 0.000 0.287 80 I C 0.499 176.551 176.117 -0.108 0.000 1.023 80 I CA -0.198 60.959 61.300 -0.238 0.000 1.083 80 I CB 2.224 40.129 38.000 -0.159 0.000 1.245 80 I HN 0.594 nan 8.210 nan 0.000 0.434 81 S N 3.391 119.049 115.700 -0.070 0.000 2.427 81 S HA 0.029 4.499 4.470 -0.000 0.000 0.224 81 S C 0.886 175.482 174.600 -0.007 0.000 1.047 81 S CA 0.621 58.799 58.200 -0.036 0.000 0.953 81 S CB -0.065 63.113 63.200 -0.038 0.000 0.824 81 S HN 0.703 nan 8.310 nan 0.000 0.502 82 N N 0.998 119.700 118.700 0.003 0.000 2.679 82 N HA 0.450 5.190 4.740 -0.000 0.000 0.302 82 N C -0.734 174.791 175.510 0.026 0.000 1.941 82 N CA -0.135 52.922 53.050 0.011 0.000 0.875 82 N CB 0.494 38.982 38.487 0.003 0.000 1.278 82 N HN 0.254 nan 8.380 nan 0.000 0.490 83 A N 1.426 124.275 122.820 0.049 0.000 2.351 83 A HA 0.531 4.851 4.320 -0.000 0.000 0.257 83 A C 0.014 177.612 177.584 0.024 0.000 1.087 83 A CA -0.293 51.794 52.037 0.083 0.000 0.798 83 A CB 0.158 19.269 19.000 0.186 0.000 1.033 83 A HN 0.771 nan 8.150 nan 0.000 0.488 84 N N -0.584 118.109 118.700 -0.010 0.000 2.264 84 N HA 0.621 5.361 4.740 -0.000 0.000 0.288 84 N C -1.415 173.969 175.510 -0.211 0.000 1.094 84 N CA -0.599 52.397 53.050 -0.090 0.000 0.817 84 N CB 1.232 39.691 38.487 -0.047 0.000 1.604 84 N HN 0.437 nan 8.380 nan 0.000 0.473 85 I N 0.154 120.545 120.570 -0.298 0.000 2.474 85 I HA 0.434 4.604 4.170 -0.000 0.000 0.294 85 I C -0.498 175.501 176.117 -0.196 0.000 1.005 85 I CA -1.117 59.934 61.300 -0.415 0.000 1.113 85 I CB 2.050 39.659 38.000 -0.652 0.000 1.289 85 I HN 0.296 nan 8.210 nan 0.000 0.436 86 K N 6.076 126.395 120.400 -0.135 0.000 2.274 86 K HA 0.718 5.038 4.320 -0.000 0.000 0.262 86 K C -0.758 175.800 176.600 -0.069 0.000 0.961 86 K CA -0.424 55.818 56.287 -0.075 0.000 0.833 86 K CB 2.000 34.471 32.500 -0.047 0.000 1.102 86 K HN 0.466 nan 8.250 nan 0.000 0.436 87 I N 1.562 122.092 120.570 -0.067 0.000 2.689 87 I HA 0.461 4.631 4.170 -0.000 0.000 0.299 87 I C 0.152 176.169 176.117 -0.168 0.000 1.059 87 I CA -0.527 60.725 61.300 -0.080 0.000 1.055 87 I CB 2.545 40.525 38.000 -0.033 0.000 1.243 87 I HN 0.781 nan 8.210 nan 0.000 0.425 88 S N 2.824 118.390 115.700 -0.224 0.000 2.638 88 S HA 1.009 5.479 4.470 -0.000 0.000 0.302 88 S C -0.408 173.864 174.600 -0.547 0.000 1.096 88 S CA -0.621 57.353 58.200 -0.376 0.000 0.953 88 S CB 2.406 65.475 63.200 -0.219 0.000 1.107 88 S HN 1.011 nan 8.310 nan 0.000 0.503 89 G N 0.524 108.808 108.800 -0.860 0.000 2.489 89 G HA2 0.540 4.500 3.960 -0.000 0.000 0.305 89 G HA3 0.540 4.500 3.960 -0.000 0.000 0.305 89 G C -2.123 172.489 174.900 -0.481 0.000 1.311 89 G CA -0.913 43.770 45.100 -0.695 0.000 0.813 89 G HN 0.626 nan 8.290 nan 0.000 0.480 90 K N 0.284 120.534 120.400 -0.251 0.000 2.259 90 K HA 0.507 4.827 4.320 -0.000 0.000 0.249 90 K C -0.911 175.639 176.600 -0.083 0.000 0.942 90 K CA -0.598 55.500 56.287 -0.315 0.000 0.816 90 K CB 2.647 34.660 32.500 -0.812 0.000 1.155 90 K HN 0.775 nan 8.250 nan 0.000 0.428 91 W N 0.932 122.200 121.300 -0.054 0.000 2.962 91 W HA 0.649 5.309 4.660 -0.000 0.000 0.341 91 W C -0.999 175.527 176.519 0.012 0.000 1.155 91 W CA -0.997 56.235 57.345 -0.189 0.000 1.165 91 W CB 1.003 30.132 29.460 -0.552 0.000 1.435 91 W HN 0.529 nan 8.180 nan 0.000 0.546 92 K N 1.114 121.658 120.400 0.241 0.000 2.546 92 K HA 0.846 5.166 4.320 -0.000 0.000 0.264 92 K C -1.814 174.996 176.600 0.349 0.000 0.937 92 K CA -0.797 55.585 56.287 0.158 0.000 0.833 92 K CB 2.024 34.598 32.500 0.124 0.000 1.378 92 K HN 0.763 nan 8.250 nan 0.000 0.432 93 A N 1.403 124.460 122.820 0.395 0.000 2.587 93 A HA 0.629 4.949 4.320 -0.000 0.000 0.293 93 A C -1.762 176.090 177.584 0.448 0.000 1.087 93 A CA -0.666 51.683 52.037 0.520 0.000 0.692 93 A CB 2.373 21.753 19.000 0.634 0.000 1.291 93 A HN 0.746 nan 8.150 nan 0.000 0.407 94 Q N -0.342 119.747 119.800 0.482 0.000 2.315 94 Q HA 0.654 4.994 4.340 -0.000 0.000 0.273 94 Q C -1.080 175.090 176.000 0.284 0.000 1.053 94 Q CA -0.360 55.639 55.803 0.325 0.000 0.817 94 Q CB 1.901 30.768 28.738 0.215 0.000 1.326 94 Q HN 1.104 nan 8.270 nan 0.000 0.423 95 K N 2.866 123.381 120.400 0.193 0.000 2.613 95 K HA 0.558 4.878 4.320 -0.000 0.000 0.248 95 K C -0.132 176.469 176.600 0.002 0.000 0.959 95 K CA 0.205 56.540 56.287 0.080 0.000 0.855 95 K CB 1.543 34.125 32.500 0.136 0.000 1.143 95 K HN 0.991 nan 8.250 nan 0.000 0.437 96 R N 0.281 120.714 120.500 -0.111 0.000 3.943 96 R HA -0.258 4.082 4.340 -0.000 0.000 0.368 96 R C 0.310 176.437 176.300 -0.288 0.000 0.242 96 R CA 2.771 58.699 56.100 -0.287 0.000 1.197 96 R CB -1.472 28.696 30.300 -0.221 0.000 0.990 96 R HN 0.720 nan 8.270 nan 0.000 0.565 97 F N 0.452 120.426 119.950 0.039 0.000 2.721 97 F HA 0.321 4.848 4.527 -0.000 0.000 0.301 97 F C 0.703 176.536 175.800 0.055 0.000 1.096 97 F CA -0.089 57.935 58.000 0.040 0.000 1.308 97 F CB 0.285 39.301 39.000 0.028 0.000 1.086 97 F HN 0.242 nan 8.300 nan 0.000 0.587 98 L N 1.765 123.116 121.223 0.213 0.000 2.360 98 L HA 0.510 4.850 4.340 -0.000 0.000 0.276 98 L C 0.063 177.042 176.870 0.182 0.000 1.121 98 L CA 0.076 55.024 54.840 0.179 0.000 0.845 98 L CB -0.046 42.106 42.059 0.155 0.000 1.143 98 L HN 0.036 nan 8.230 nan 0.000 0.452 99 K N 6.463 126.960 120.400 0.161 0.000 2.244 99 K HA 0.771 5.090 4.320 -0.000 0.000 0.260 99 K C -0.957 175.730 176.600 0.146 0.000 0.951 99 K CA -0.423 55.954 56.287 0.150 0.000 0.826 99 K CB 1.237 33.800 32.500 0.105 0.000 1.108 99 K HN 0.753 nan 8.250 nan 0.000 0.433 100 M N 1.605 121.316 119.600 0.184 0.000 2.535 100 M HA 0.653 5.133 4.480 -0.000 0.000 0.314 100 M C -0.268 175.987 176.300 -0.075 0.000 1.153 100 M CA -1.039 54.371 55.300 0.183 0.000 0.924 100 M CB 2.461 35.326 32.600 0.442 0.000 1.710 100 M HN 0.877 nan 8.290 nan 0.000 0.451 101 S N 0.568 115.980 115.700 -0.481 0.000 2.611 101 S HA 1.010 5.480 4.470 -0.000 0.000 0.268 101 S C -0.756 173.001 174.600 -1.405 0.000 1.156 101 S CA -0.154 57.398 58.200 -1.080 0.000 0.817 101 S CB 2.207 65.134 63.200 -0.455 0.000 1.122 101 S HN 1.246 nan 8.310 nan 0.000 0.466 102 G N 0.663 108.481 108.800 -1.638 0.000 2.336 102 G HA2 0.425 4.385 3.960 -0.000 0.000 0.286 102 G HA3 0.425 4.385 3.960 -0.000 0.000 0.286 102 G C -2.140 172.415 174.900 -0.575 0.000 1.269 102 G CA -0.926 43.662 45.100 -0.854 0.000 0.873 102 G HN 0.880 nan 8.290 nan 0.000 0.494 103 N N -0.764 117.943 118.700 0.011 0.000 2.443 103 N HA 0.806 5.546 4.740 -0.000 0.000 0.293 103 N C -0.940 174.864 175.510 0.490 0.000 1.159 103 N CA -0.626 52.507 53.050 0.139 0.000 0.904 103 N CB 1.917 40.422 38.487 0.031 0.000 1.214 103 N HN 0.654 nan 8.380 nan 0.000 0.513 104 F N -1.718 118.363 119.950 0.219 0.000 2.626 104 F HA 0.613 5.140 4.527 -0.000 0.000 0.311 104 F C -1.700 174.134 175.800 0.057 0.000 1.088 104 F CA -1.068 57.009 58.000 0.128 0.000 0.949 104 F CB 1.527 40.609 39.000 0.137 0.000 1.322 104 F HN 0.189 nan 8.300 nan 0.000 0.461 105 D N 2.793 123.262 120.400 0.114 0.000 2.498 105 D HA 0.471 5.111 4.640 -0.000 0.000 0.247 105 D C -1.341 175.020 176.300 0.103 0.000 1.070 105 D CA -0.198 53.804 54.000 0.003 0.000 0.842 105 D CB 2.971 43.818 40.800 0.078 0.000 1.361 105 D HN 0.763 nan 8.370 nan 0.000 0.484 106 L N 0.899 122.145 121.223 0.038 0.000 2.362 106 L HA 0.477 4.816 4.340 -0.000 0.000 0.275 106 L C -0.851 176.022 176.870 0.005 0.000 0.998 106 L CA -0.418 54.440 54.840 0.030 0.000 0.820 106 L CB 1.823 43.943 42.059 0.102 0.000 1.270 106 L HN 0.261 nan 8.230 nan 0.000 0.415 107 S N 5.474 121.186 115.700 0.020 0.000 2.530 107 S HA 0.598 5.068 4.470 -0.000 0.000 0.322 107 S C -0.693 173.913 174.600 0.010 0.000 1.085 107 S CA -0.590 57.620 58.200 0.016 0.000 1.096 107 S CB 0.720 63.952 63.200 0.052 0.000 0.988 107 S HN 0.517 nan 8.310 nan 0.000 0.466 108 I N 4.716 125.263 120.570 -0.037 0.000 2.312 108 I HA 0.432 4.602 4.170 -0.000 0.000 0.290 108 I C 0.011 176.100 176.117 -0.047 0.000 1.008 108 I CA -0.427 60.852 61.300 -0.036 0.000 1.226 108 I CB 1.168 39.123 38.000 -0.075 0.000 1.371 108 I HN 0.511 nan 8.210 nan 0.000 0.468 109 E N 4.110 124.302 120.200 -0.013 0.000 2.227 109 E HA 0.391 4.741 4.350 -0.000 0.000 0.268 109 E C 0.340 176.940 176.600 -0.001 0.000 0.907 109 E CA -0.508 55.884 56.400 -0.013 0.000 0.786 109 E CB 2.046 31.741 29.700 -0.008 0.000 1.191 109 E HN 0.806 nan 8.360 nan 0.000 0.411 110 G N 2.362 111.161 108.800 -0.002 0.000 2.314 110 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.292 110 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.292 110 G C 0.131 175.046 174.900 0.025 0.000 1.059 110 G CA 0.887 45.992 45.100 0.009 0.000 0.982 110 G HN 0.424 nan 8.290 nan 0.000 0.505 111 M N 1.350 120.969 119.600 0.032 0.000 2.180 111 M HA 0.567 5.046 4.480 -0.000 0.000 0.358 111 M C 0.528 176.870 176.300 0.069 0.000 1.233 111 M CA -0.145 55.191 55.300 0.060 0.000 1.114 111 M CB 0.873 33.513 32.600 0.066 0.000 1.594 111 M HN 0.622 nan 8.290 nan 0.000 0.467 112 S N 6.001 121.752 115.700 0.086 0.000 2.473 112 S HA 0.769 5.238 4.470 -0.000 0.000 0.307 112 S C -0.741 173.908 174.600 0.080 0.000 1.094 112 S CA -0.890 57.349 58.200 0.065 0.000 1.070 112 S CB 1.235 64.466 63.200 0.051 0.000 1.019 112 S HN 0.746 nan 8.310 nan 0.000 0.480 113 I N 2.394 122.981 120.570 0.029 0.000 2.545 113 I HA 0.637 4.806 4.170 -0.000 0.000 0.292 113 I C -0.396 175.702 176.117 -0.032 0.000 1.040 113 I CA -0.533 60.782 61.300 0.024 0.000 1.068 113 I CB 2.463 40.486 38.000 0.039 0.000 1.251 113 I HN 0.906 nan 8.210 nan 0.000 0.424 114 S N 3.912 119.619 115.700 0.013 0.000 2.536 114 S HA 0.930 5.400 4.470 -0.000 0.000 0.271 114 S C -1.072 173.565 174.600 0.060 0.000 1.134 114 S CA -0.755 57.443 58.200 -0.003 0.000 0.897 114 S CB 2.193 65.390 63.200 -0.005 0.000 1.094 114 S HN 0.877 nan 8.310 nan 0.000 0.473 115 A N 1.881 124.764 122.820 0.105 0.000 2.398 115 A HA 0.721 5.041 4.320 -0.000 0.000 0.301 115 A C -1.454 176.199 177.584 0.114 0.000 1.041 115 A CA -0.750 51.363 52.037 0.126 0.000 0.711 115 A CB 1.110 20.220 19.000 0.183 0.000 1.240 115 A HN 0.771 nan 8.150 nan 0.000 0.420 116 D N 1.977 122.419 120.400 0.071 0.000 2.225 116 D HA 0.496 5.135 4.640 -0.000 0.000 0.248 116 D C -0.559 175.766 176.300 0.042 0.000 1.096 116 D CA 0.341 54.373 54.000 0.052 0.000 0.863 116 D CB 1.505 42.325 40.800 0.033 0.000 1.156 116 D HN 0.431 nan 8.370 nan 0.000 0.450 117 L N 1.539 122.781 121.223 0.032 0.000 2.325 117 L HA 0.469 4.809 4.340 -0.000 0.000 0.281 117 L C 0.625 177.491 176.870 -0.007 0.000 1.004 117 L CA -0.921 53.925 54.840 0.010 0.000 0.823 117 L CB 1.139 43.198 42.059 0.000 0.000 1.236 117 L HN 0.230 nan 8.230 nan 0.000 0.415 118 K N 3.782 124.177 120.400 -0.009 0.000 2.211 118 K HA 0.663 4.983 4.320 -0.000 0.000 0.275 118 K C -0.968 175.615 176.600 -0.028 0.000 1.024 118 K CA -0.521 55.757 56.287 -0.016 0.000 0.887 118 K CB 1.205 33.700 32.500 -0.008 0.000 1.084 118 K HN 0.339 nan 8.250 nan 0.000 0.463 119 L N 1.719 122.918 121.223 -0.040 0.000 2.322 119 L HA 0.857 5.197 4.340 -0.000 0.000 0.279 119 L C 0.975 177.821 176.870 -0.040 0.000 1.036 119 L CA -0.362 54.445 54.840 -0.055 0.000 0.807 119 L CB 1.817 43.827 42.059 -0.082 0.000 1.226 119 L HN 0.966 nan 8.230 nan 0.000 0.433 120 G N 0.412 109.191 108.800 -0.035 0.000 2.782 120 G HA2 0.749 4.709 3.960 -0.000 0.000 0.304 120 G HA3 0.749 4.709 3.960 -0.000 0.000 0.304 120 G C -1.602 173.287 174.900 -0.019 0.000 1.315 120 G CA -0.106 44.980 45.100 -0.024 0.000 0.791 120 G HN 0.682 nan 8.290 nan 0.000 0.519 121 S N -0.763 114.929 115.700 -0.012 0.000 2.541 121 S HA 0.560 5.030 4.470 -0.000 0.000 0.271 121 S C -1.350 173.248 174.600 -0.004 0.000 1.133 121 S CA -0.901 57.295 58.200 -0.006 0.000 0.876 121 S CB 2.161 65.358 63.200 -0.006 0.000 1.105 121 S HN 0.671 nan 8.310 nan 0.000 0.470 122 N N 2.112 120.812 118.700 -0.000 0.000 2.437 122 N HA 0.367 5.107 4.740 -0.000 0.000 0.243 122 N C -1.934 173.575 175.510 -0.002 0.000 1.041 122 N CA -2.111 50.938 53.050 -0.001 0.000 0.940 122 N CB 1.223 39.711 38.487 0.001 0.000 1.133 122 N HN 0.341 nan 8.380 nan 0.000 0.506 123 P HA -0.122 nan 4.420 nan 0.000 0.218 123 P C 1.256 178.552 177.300 -0.008 0.000 1.148 123 P CA 1.423 64.520 63.100 -0.006 0.000 0.822 123 P CB 0.143 31.839 31.700 -0.007 0.000 0.784 124 T N -2.948 111.601 114.554 -0.008 0.000 2.809 124 T HA -0.075 4.275 4.350 -0.000 0.000 0.260 124 T C 1.982 176.674 174.700 -0.014 0.000 1.039 124 T CA 1.543 63.635 62.100 -0.012 0.000 1.141 124 T CB -1.245 67.616 68.868 -0.011 0.000 0.869 124 T HN 0.202 nan 8.240 nan 0.000 0.437 125 S N 0.504 116.199 115.700 -0.009 0.000 2.501 125 S HA 0.388 4.858 4.470 -0.000 0.000 0.220 125 S C 2.000 176.598 174.600 -0.002 0.000 0.997 125 S CA 0.565 58.760 58.200 -0.008 0.000 0.919 125 S CB -0.746 62.452 63.200 -0.003 0.000 0.778 125 S HN 1.423 nan 8.310 nan 0.000 0.523 126 G N 1.251 110.052 108.800 0.002 0.000 2.153 126 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.252 126 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.252 126 G C -0.136 174.775 174.900 0.019 0.000 0.994 126 G CA 0.473 45.580 45.100 0.012 0.000 0.698 126 G HN 0.619 nan 8.290 nan 0.000 0.521 127 K N 1.040 121.449 120.400 0.013 0.000 2.123 127 K HA 0.528 4.848 4.320 -0.000 0.000 0.259 127 K C -2.287 174.323 176.600 0.015 0.000 0.960 127 K CA -1.969 54.328 56.287 0.017 0.000 0.872 127 K CB 2.122 34.630 32.500 0.013 0.000 1.079 127 K HN 0.066 nan 8.250 nan 0.000 0.440 128 P HA 0.044 nan 4.420 nan 0.000 0.277 128 P C -0.796 176.514 177.300 0.018 0.000 1.240 128 P CA -0.290 62.819 63.100 0.014 0.000 0.798 128 P CB 0.973 32.687 31.700 0.024 0.000 0.979 129 T N -0.923 113.632 114.554 0.002 0.000 2.907 129 T HA 0.783 5.133 4.350 -0.000 0.000 0.292 129 T C -0.357 174.339 174.700 -0.007 0.000 1.043 129 T CA -0.769 61.336 62.100 0.007 0.000 1.003 129 T CB 0.977 69.846 68.868 0.002 0.000 1.084 129 T HN 0.260 nan 8.240 nan 0.000 0.483 130 I N 2.305 122.879 120.570 0.006 0.000 2.548 130 I HA 0.464 4.634 4.170 -0.000 0.000 0.287 130 I C -0.259 175.861 176.117 0.004 0.000 1.103 130 I CA -0.793 60.502 61.300 -0.008 0.000 1.049 130 I CB 2.509 40.507 38.000 -0.003 0.000 1.232 130 I HN 0.995 nan 8.210 nan 0.000 0.429 131 T N 1.215 115.767 114.554 -0.002 0.000 2.893 131 T HA 0.404 4.754 4.350 -0.000 0.000 0.291 131 T C -0.663 174.040 174.700 0.005 0.000 1.028 131 T CA -0.775 61.327 62.100 0.004 0.000 0.995 131 T CB 1.804 70.674 68.868 0.004 0.000 1.051 131 T HN 0.622 nan 8.240 nan 0.000 0.470 132 C N 3.581 122.887 119.300 0.010 0.000 2.246 132 C HA 0.595 5.055 4.460 -0.000 0.000 0.329 132 C C 1.776 176.776 174.990 0.017 0.000 1.221 132 C CA 0.092 59.120 59.018 0.016 0.000 1.697 132 C CB -0.854 26.898 27.740 0.019 0.000 2.312 132 C HN 1.049 nan 8.230 nan 0.000 0.509 133 S N 3.348 119.060 115.700 0.019 0.000 2.524 133 S HA 0.243 4.713 4.470 -0.000 0.000 0.216 133 S C 0.345 174.957 174.600 0.020 0.000 0.987 133 S CA 0.371 58.581 58.200 0.017 0.000 0.909 133 S CB -0.271 62.936 63.200 0.013 0.000 0.781 133 S HN 1.340 nan 8.310 nan 0.000 0.521 134 S N -0.856 114.861 115.700 0.027 0.000 2.597 134 S HA 0.614 5.084 4.470 -0.000 0.000 0.274 134 S C -1.248 173.376 174.600 0.039 0.000 1.132 134 S CA -0.726 57.491 58.200 0.029 0.000 0.835 134 S CB 1.152 64.369 63.200 0.028 0.000 1.092 134 S HN 0.700 nan 8.310 nan 0.000 0.457 135 c N 2.063 120.684 118.600 0.035 0.000 2.985 135 c HA 0.910 5.480 4.570 -0.000 0.000 0.332 135 c C -0.906 173.198 174.090 0.024 0.000 1.164 135 c CA 0.557 56.911 56.329 0.041 0.000 1.347 135 c CB 0.834 43.369 42.510 0.043 0.000 1.764 135 c HN 1.672 nan 8.230 nan 0.000 0.489 136 S N 2.989 118.704 115.700 0.025 0.000 2.569 136 S HA 0.876 5.346 4.470 -0.000 0.000 0.280 136 S C -0.926 173.654 174.600 -0.032 0.000 1.111 136 S CA -0.510 57.679 58.200 -0.018 0.000 0.887 136 S CB 1.809 65.039 63.200 0.051 0.000 1.095 136 S HN 1.430 nan 8.310 nan 0.000 0.476 137 S N 0.974 116.577 115.700 -0.162 0.000 2.572 137 S HA 0.576 5.046 4.470 -0.000 0.000 0.274 137 S C -1.690 172.751 174.600 -0.265 0.000 1.150 137 S CA -0.586 57.562 58.200 -0.086 0.000 0.944 137 S CB 0.772 63.960 63.200 -0.019 0.000 1.071 137 S HN 0.810 nan 8.310 nan 0.000 0.479 138 H N 3.025 122.114 119.070 0.033 0.000 2.865 138 H HA 0.602 5.158 4.556 -0.000 0.000 0.372 138 H C -0.846 174.496 175.328 0.024 0.000 1.173 138 H CA -0.655 55.407 56.048 0.024 0.000 1.147 138 H CB 1.796 31.566 29.762 0.013 0.000 1.805 138 H HN 0.516 nan 8.280 nan 0.000 0.553 139 I N 1.251 121.906 120.570 0.142 0.000 2.545 139 I HA 0.074 4.244 4.170 -0.000 0.000 0.292 139 I C 1.208 177.365 176.117 0.067 0.000 1.040 139 I CA -0.424 60.924 61.300 0.080 0.000 1.068 139 I CB 2.306 40.337 38.000 0.051 0.000 1.251 139 I HN 0.608 nan 8.210 nan 0.000 0.424 140 N N 3.038 121.764 118.700 0.044 0.000 2.220 140 N HA -0.021 4.719 4.740 -0.000 0.000 0.182 140 N C 0.184 175.710 175.510 0.027 0.000 1.023 140 N CA 0.817 53.884 53.050 0.028 0.000 0.856 140 N CB 0.563 39.058 38.487 0.013 0.000 0.997 140 N HN 0.722 nan 8.380 nan 0.000 0.429 141 S N -0.620 115.099 115.700 0.032 0.000 2.565 141 S HA 0.570 5.040 4.470 -0.000 0.000 0.269 141 S C -1.203 173.438 174.600 0.068 0.000 1.153 141 S CA -0.813 57.415 58.200 0.047 0.000 0.835 141 S CB 2.171 65.391 63.200 0.032 0.000 1.122 141 S HN -0.127 nan 8.310 nan 0.000 0.462 142 V N 2.142 122.128 119.914 0.119 0.000 2.638 142 V HA 0.622 4.742 4.120 -0.000 0.000 0.306 142 V C -1.097 175.129 176.094 0.219 0.000 1.052 142 V CA -0.472 61.913 62.300 0.142 0.000 0.885 142 V CB 1.508 33.431 31.823 0.166 0.000 0.999 142 V HN 1.110 nan 8.190 nan 0.000 0.424 143 H N 2.870 121.958 119.070 0.031 0.000 2.600 143 H HA 0.791 5.347 4.556 -0.000 0.000 0.357 143 H C -1.306 173.962 175.328 -0.100 0.000 1.106 143 H CA -0.459 55.598 56.048 0.015 0.000 1.193 143 H CB 2.020 31.787 29.762 0.008 0.000 1.594 143 H HN 0.434 nan 8.280 nan 0.000 0.526 144 V N 5.713 125.199 119.914 -0.713 0.000 2.459 144 V HA 0.240 4.360 4.120 -0.000 0.000 0.295 144 V C -0.315 175.435 176.094 -0.574 0.000 1.029 144 V CA -0.731 61.183 62.300 -0.643 0.000 0.874 144 V CB 1.270 32.522 31.823 -0.952 0.000 0.985 144 V HN 0.840 nan 8.190 nan 0.000 0.438 145 H N 5.225 124.119 119.070 -0.295 0.000 2.589 145 H HA 0.667 5.223 4.556 -0.000 0.000 0.351 145 H C -1.769 173.517 175.328 -0.069 0.000 1.074 145 H CA -0.748 55.208 56.048 -0.154 0.000 1.203 145 H CB 1.919 31.685 29.762 0.008 0.000 1.558 145 H HN 0.585 nan 8.280 nan 0.000 0.522 146 I N 3.960 124.078 120.570 -0.754 0.000 2.498 146 I HA 0.001 4.171 4.170 -0.000 0.000 0.290 146 I C 1.513 177.239 176.117 -0.652 0.000 1.032 146 I CA -0.436 60.536 61.300 -0.547 0.000 1.073 146 I CB 2.323 40.034 38.000 -0.482 0.000 1.251 146 I HN 0.720 nan 8.210 nan 0.000 0.426 147 S N 4.505 119.994 115.700 -0.352 0.000 2.400 147 S HA -0.091 4.379 4.470 -0.000 0.000 0.232 147 S C 0.776 175.347 174.600 -0.047 0.000 1.025 147 S CA 0.845 58.975 58.200 -0.117 0.000 0.993 147 S CB -0.291 62.939 63.200 0.051 0.000 0.808 147 S HN 0.566 nan 8.310 nan 0.000 0.478 148 K N 2.470 122.858 120.400 -0.020 0.000 2.316 148 K HA 0.247 4.567 4.320 -0.000 0.000 0.289 148 K C 1.192 177.752 176.600 -0.067 0.000 1.070 148 K CA 0.342 56.637 56.287 0.013 0.000 0.928 148 K CB 1.022 33.588 32.500 0.111 0.000 1.039 148 K HN 0.457 nan 8.250 nan 0.000 0.480 149 S N 3.139 118.819 115.700 -0.033 0.000 2.447 149 S HA -0.189 4.281 4.470 -0.000 0.000 0.233 149 S C 1.523 176.096 174.600 -0.045 0.000 1.006 149 S CA 0.869 59.043 58.200 -0.044 0.000 0.957 149 S CB -0.227 62.972 63.200 -0.002 0.000 0.773 149 S HN 0.705 nan 8.310 nan 0.000 0.507 150 K N 1.701 122.095 120.400 -0.009 0.000 2.555 150 K HA 0.063 4.383 4.320 -0.000 0.000 0.193 150 K C 1.034 177.642 176.600 0.012 0.000 1.032 150 K CA 0.970 57.282 56.287 0.042 0.000 1.004 150 K CB -0.425 32.138 32.500 0.104 0.000 0.804 150 K HN 0.481 nan 8.250 nan 0.000 0.496 151 V N -2.398 117.381 119.914 -0.226 0.000 3.039 151 V HA 0.391 4.511 4.120 -0.000 0.000 0.369 151 V C 1.458 177.127 176.094 -0.708 0.000 1.344 151 V CA -0.169 61.751 62.300 -0.634 0.000 1.270 151 V CB 0.023 31.289 31.823 -0.929 0.000 1.284 151 V HN 0.235 nan 8.190 nan 0.000 0.518 152 G N 1.497 110.092 108.800 -0.342 0.000 2.442 152 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.219 152 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.219 152 G C 1.201 175.952 174.900 -0.250 0.000 1.141 152 G CA 1.270 46.227 45.100 -0.238 0.000 0.763 152 G HN 0.880 nan 8.290 nan 0.000 0.554 153 W N 0.459 121.649 121.300 -0.183 0.000 2.374 153 W HA 0.045 4.705 4.660 -0.000 0.000 0.288 153 W C 1.736 178.083 176.519 -0.287 0.000 1.218 153 W CA 0.715 57.937 57.345 -0.207 0.000 1.245 153 W CB -1.152 28.180 29.460 -0.214 0.000 1.126 153 W HN 0.198 nan 8.180 nan 0.000 0.545 154 L N 1.620 122.043 121.223 -1.334 0.000 2.109 154 L HA -0.003 4.337 4.340 -0.000 0.000 0.207 154 L C 2.443 178.930 176.870 -0.639 0.000 1.086 154 L CA 1.656 55.728 54.840 -1.280 0.000 0.760 154 L CB -0.828 40.212 42.059 -1.697 0.000 0.910 154 L HN -0.122 nan 8.230 nan 0.000 0.437 155 I N -0.732 119.506 120.570 -0.553 0.000 2.394 155 I HA -0.260 3.910 4.170 -0.000 0.000 0.251 155 I C 2.442 178.464 176.117 -0.158 0.000 1.136 155 I CA 1.072 62.138 61.300 -0.391 0.000 1.425 155 I CB -0.178 37.593 38.000 -0.382 0.000 1.079 155 I HN 0.392 nan 8.210 nan 0.000 0.425 156 Q N 1.321 121.058 119.800 -0.104 0.000 2.124 156 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 156 Q C 2.108 178.105 176.000 -0.005 0.000 0.977 156 Q CA 1.701 57.519 55.803 0.023 0.000 0.850 156 Q CB -0.269 28.474 28.738 0.009 0.000 0.901 156 Q HN 0.482 nan 8.270 nan 0.000 0.429 157 L N -0.528 120.624 121.223 -0.118 0.000 2.083 157 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 157 L C 2.168 178.990 176.870 -0.080 0.000 1.083 157 L CA 1.106 55.876 54.840 -0.117 0.000 0.752 157 L CB -0.574 41.267 42.059 -0.364 0.000 0.899 157 L HN 0.292 nan 8.230 nan 0.000 0.433 158 F N 0.425 120.180 119.950 -0.325 0.000 2.069 158 F HA -0.294 4.233 4.527 -0.000 0.000 0.298 158 F C 2.758 178.332 175.800 -0.377 0.000 1.113 158 F CA 1.821 59.548 58.000 -0.454 0.000 1.214 158 F CB -0.393 38.052 39.000 -0.925 0.000 0.978 158 F HN 0.118 nan 8.300 nan 0.000 0.474 159 H N 0.495 119.569 119.070 0.008 0.000 2.321 159 H HA -0.105 4.451 4.556 -0.000 0.000 0.300 159 H C 2.258 177.507 175.328 -0.133 0.000 1.087 159 H CA 1.822 57.833 56.048 -0.062 0.000 1.319 159 H CB -0.391 29.376 29.762 0.009 0.000 1.379 159 H HN 0.355 nan 8.280 nan 0.000 0.501 160 K N 0.561 120.982 120.400 0.035 0.000 2.103 160 K HA -0.070 4.249 4.320 -0.000 0.000 0.204 160 K C 1.716 178.303 176.600 -0.022 0.000 1.052 160 K CA 1.097 57.390 56.287 0.011 0.000 0.945 160 K CB 0.228 32.750 32.500 0.036 0.000 0.722 160 K HN 0.255 nan 8.250 nan 0.000 0.443 161 K N -0.905 119.469 120.400 -0.042 0.000 2.412 161 K HA 0.234 4.554 4.320 -0.000 0.000 0.202 161 K C 1.494 178.031 176.600 -0.105 0.000 1.102 161 K CA 0.089 56.368 56.287 -0.013 0.000 1.027 161 K CB 0.838 33.416 32.500 0.130 0.000 0.931 161 K HN -0.002 nan 8.250 nan 0.000 0.557 162 I N 0.252 120.615 120.570 -0.346 0.000 3.812 162 I HA -0.018 4.152 4.170 -0.000 0.000 0.292 162 I C 2.238 177.882 176.117 -0.788 0.000 1.206 162 I CA 0.179 61.143 61.300 -0.559 0.000 1.370 162 I CB 0.273 37.818 38.000 -0.758 0.000 1.328 162 I HN 0.102 nan 8.210 nan 0.000 0.453 163 E N 1.600 121.212 120.200 -0.980 0.000 2.086 163 E HA -0.270 4.080 4.350 -0.000 0.000 0.205 163 E C 2.118 178.523 176.600 -0.325 0.000 1.027 163 E CA 2.277 58.270 56.400 -0.678 0.000 0.830 163 E CB 0.102 29.601 29.700 -0.335 0.000 0.751 163 E HN 0.339 nan 8.360 nan 0.000 0.456 164 S N 0.176 115.748 115.700 -0.213 0.000 2.359 164 S HA -0.206 4.264 4.470 -0.000 0.000 0.224 164 S C 2.020 176.562 174.600 -0.097 0.000 1.035 164 S CA 1.156 59.291 58.200 -0.109 0.000 1.018 164 S CB -0.387 62.774 63.200 -0.065 0.000 0.876 164 S HN 0.521 nan 8.310 nan 0.000 0.448 165 A N 1.279 124.032 122.820 -0.111 0.000 1.883 165 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 165 A C 2.174 179.739 177.584 -0.031 0.000 1.186 165 A CA 1.529 53.555 52.037 -0.019 0.000 0.624 165 A CB -0.817 18.225 19.000 0.071 0.000 0.822 165 A HN 0.473 nan 8.150 nan 0.000 0.444 166 L N -0.850 120.202 121.223 -0.286 0.000 2.046 166 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 166 L C 2.755 179.580 176.870 -0.075 0.000 1.077 166 L CA 1.567 56.220 54.840 -0.311 0.000 0.747 166 L CB -0.251 41.437 42.059 -0.619 0.000 0.896 166 L HN 0.357 nan 8.230 nan 0.000 0.432 167 R N -0.398 120.054 120.500 -0.081 0.000 2.066 167 R HA -0.136 4.204 4.340 -0.000 0.000 0.232 167 R C 2.069 178.374 176.300 0.007 0.000 1.131 167 R CA 1.590 57.679 56.100 -0.019 0.000 0.955 167 R CB -0.517 29.773 30.300 -0.016 0.000 0.851 167 R HN 0.431 nan 8.270 nan 0.000 0.432 168 N N 0.956 119.659 118.700 0.006 0.000 2.104 168 N HA -0.191 4.549 4.740 -0.000 0.000 0.190 168 N C 1.626 177.160 175.510 0.040 0.000 1.024 168 N CA 1.289 54.349 53.050 0.018 0.000 0.853 168 N CB -0.188 38.312 38.487 0.021 0.000 1.008 168 N HN 0.038 nan 8.380 nan 0.000 0.424 169 K N 0.661 121.105 120.400 0.075 0.000 2.057 169 K HA 0.012 4.332 4.320 -0.000 0.000 0.206 169 K C 1.905 178.564 176.600 0.099 0.000 1.050 169 K CA 0.828 57.178 56.287 0.104 0.000 0.935 169 K CB -0.392 32.218 32.500 0.183 0.000 0.715 169 K HN 0.006 nan 8.250 nan 0.000 0.439 170 M N 1.039 120.697 119.600 0.097 0.000 2.117 170 M HA -0.099 4.381 4.480 -0.000 0.000 0.262 170 M C 1.310 177.665 176.300 0.091 0.000 1.065 170 M CA 1.666 57.028 55.300 0.104 0.000 1.114 170 M CB -0.546 32.106 32.600 0.086 0.000 1.361 170 M HN 0.173 nan 8.290 nan 0.000 0.408 171 N N -0.081 118.651 118.700 0.054 0.000 2.166 171 N HA -0.130 4.610 4.740 -0.000 0.000 0.186 171 N C 1.811 177.336 175.510 0.025 0.000 1.019 171 N CA 1.870 54.935 53.050 0.025 0.000 0.856 171 N CB -0.605 37.861 38.487 -0.036 0.000 0.993 171 N HN 0.637 nan 8.380 nan 0.000 0.426 172 S N 0.670 116.388 115.700 0.030 0.000 2.371 172 S HA -0.083 4.387 4.470 -0.000 0.000 0.224 172 S C 1.838 176.465 174.600 0.045 0.000 1.029 172 S CA 0.679 58.897 58.200 0.029 0.000 0.978 172 S CB -0.373 62.845 63.200 0.030 0.000 0.833 172 S HN 0.298 nan 8.310 nan 0.000 0.466 173 Q N 0.585 120.424 119.800 0.065 0.000 2.124 173 Q HA -0.020 4.320 4.340 -0.000 0.000 0.202 173 Q C 2.394 178.437 176.000 0.071 0.000 0.977 173 Q CA 1.502 57.348 55.803 0.071 0.000 0.850 173 Q CB -0.490 28.305 28.738 0.095 0.000 0.901 173 Q HN 0.489 nan 8.270 nan 0.000 0.429 174 V N 0.103 120.072 119.914 0.091 0.000 2.295 174 V HA -0.302 3.818 4.120 -0.000 0.000 0.246 174 V C 2.245 178.370 176.094 0.051 0.000 1.049 174 V CA 1.474 63.827 62.300 0.088 0.000 1.024 174 V CB -0.399 31.510 31.823 0.144 0.000 0.648 174 V HN 0.499 nan 8.190 nan 0.000 0.447 175 c N -0.471 118.155 118.600 0.044 0.000 2.432 175 c HA -0.102 4.468 4.570 -0.000 0.000 0.282 175 c C 2.692 176.799 174.090 0.028 0.000 1.388 175 c CA 1.081 57.431 56.329 0.034 0.000 1.777 175 c CB -0.905 41.618 42.510 0.022 0.000 1.882 175 c HN 0.667 nan 8.230 nan 0.000 0.520 176 E N 0.694 120.911 120.200 0.027 0.000 2.047 176 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 176 E C 2.001 178.610 176.600 0.015 0.000 0.987 176 E CA 0.960 57.373 56.400 0.022 0.000 0.799 176 E CB 0.042 29.757 29.700 0.026 0.000 0.752 176 E HN 0.434 nan 8.360 nan 0.000 0.449 177 K N 0.346 120.753 120.400 0.012 0.000 2.057 177 K HA -0.088 4.231 4.320 -0.000 0.000 0.206 177 K C 2.217 178.809 176.600 -0.013 0.000 1.050 177 K CA 0.775 57.058 56.287 -0.007 0.000 0.935 177 K CB -0.429 32.055 32.500 -0.026 0.000 0.715 177 K HN 0.114 nan 8.250 nan 0.000 0.439 178 V N 1.731 121.646 119.914 0.001 0.000 2.261 178 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 178 V C 2.727 178.824 176.094 0.004 0.000 1.047 178 V CA 2.497 64.803 62.300 0.010 0.000 1.015 178 V CB -1.170 30.690 31.823 0.061 0.000 0.642 178 V HN 0.521 nan 8.190 nan 0.000 0.446 179 T N -0.727 113.836 114.554 0.014 0.000 2.720 179 T HA -0.287 4.063 4.350 -0.000 0.000 0.268 179 T C 1.715 176.417 174.700 0.004 0.000 1.037 179 T CA 2.093 64.200 62.100 0.012 0.000 1.144 179 T CB -0.775 68.103 68.868 0.016 0.000 0.864 179 T HN 0.457 nan 8.240 nan 0.000 0.444 180 N N 1.184 119.885 118.700 0.002 0.000 2.104 180 N HA -0.093 4.647 4.740 -0.000 0.000 0.190 180 N C 1.998 177.504 175.510 -0.007 0.000 1.024 180 N CA 1.653 54.703 53.050 -0.000 0.000 0.853 180 N CB -0.564 37.923 38.487 -0.001 0.000 1.008 180 N HN 0.431 nan 8.380 nan 0.000 0.424 181 S N -0.878 114.811 115.700 -0.019 0.000 2.399 181 S HA -0.060 4.410 4.470 -0.000 0.000 0.231 181 S C 1.977 176.561 174.600 -0.027 0.000 1.022 181 S CA 0.894 59.075 58.200 -0.032 0.000 0.983 181 S CB -0.242 62.923 63.200 -0.059 0.000 0.803 181 S HN 0.200 nan 8.310 nan 0.000 0.480 182 V N 2.313 122.213 119.914 -0.024 0.000 2.295 182 V HA -0.166 3.954 4.120 -0.000 0.000 0.246 182 V C 2.682 178.784 176.094 0.013 0.000 1.049 182 V CA 2.021 64.314 62.300 -0.010 0.000 1.024 182 V CB -0.998 30.819 31.823 -0.010 0.000 0.648 182 V HN 0.686 nan 8.190 nan 0.000 0.447 183 S N 0.661 116.368 115.700 0.010 0.000 2.371 183 S HA -0.149 4.321 4.470 -0.000 0.000 0.224 183 S C 2.055 176.667 174.600 0.019 0.000 1.029 183 S CA 1.378 59.588 58.200 0.017 0.000 0.978 183 S CB -0.544 62.663 63.200 0.012 0.000 0.833 183 S HN 0.678 nan 8.310 nan 0.000 0.466 184 S N 0.910 116.618 115.700 0.012 0.000 2.501 184 S HA 0.173 4.643 4.470 -0.000 0.000 0.220 184 S C 1.349 175.959 174.600 0.018 0.000 0.997 184 S CA 0.387 58.594 58.200 0.013 0.000 0.919 184 S CB -0.191 63.013 63.200 0.006 0.000 0.778 184 S HN 0.711 nan 8.310 nan 0.000 0.523 185 E N -0.201 120.010 120.200 0.019 0.000 2.571 185 E HA 0.300 4.649 4.350 -0.000 0.000 0.204 185 E C 1.704 178.339 176.600 0.059 0.000 0.851 185 E CA -0.122 56.294 56.400 0.026 0.000 1.358 185 E CB -0.281 29.414 29.700 -0.008 0.000 1.327 185 E HN 0.207 nan 8.360 nan 0.000 0.665 186 L N 1.816 123.071 121.223 0.052 0.000 2.005 186 L HA -0.186 4.154 4.340 -0.000 0.000 0.207 186 L C 2.774 179.770 176.870 0.211 0.000 1.072 186 L CA 1.827 56.741 54.840 0.123 0.000 0.744 186 L CB -0.187 41.919 42.059 0.079 0.000 0.895 186 L HN 0.216 nan 8.230 nan 0.000 0.433 187 Q N -0.084 119.797 119.800 0.135 0.000 2.050 187 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 187 Q C -0.643 175.424 176.000 0.111 0.000 0.980 187 Q CA 1.886 57.768 55.803 0.131 0.000 0.840 187 Q CB -0.631 28.149 28.738 0.071 0.000 0.898 187 Q HN 0.300 nan 8.270 nan 0.000 0.424 188 P HA -0.171 nan 4.420 nan 0.000 0.216 188 P C 0.514 177.825 177.300 0.017 0.000 1.150 188 P CA 1.065 64.191 63.100 0.044 0.000 0.837 188 P CB -0.238 31.488 31.700 0.043 0.000 0.786 189 Y N -0.624 119.650 120.300 -0.045 0.000 2.114 189 Y HA -0.187 4.363 4.550 -0.000 0.000 0.284 189 Y C 1.959 177.731 175.900 -0.214 0.000 1.143 189 Y CA 1.569 59.574 58.100 -0.158 0.000 1.135 189 Y CB -1.135 37.155 38.460 -0.284 0.000 0.980 189 Y HN -0.178 nan 8.280 nan 0.000 0.499 190 F N 0.711 120.571 119.950 -0.150 0.000 2.365 190 F HA -0.134 4.393 4.527 -0.000 0.000 0.300 190 F C 2.218 177.903 175.800 -0.193 0.000 1.090 190 F CA 1.366 59.235 58.000 -0.218 0.000 1.408 190 F CB -0.490 38.486 39.000 -0.040 0.000 1.060 190 F HN 0.174 nan 8.300 nan 0.000 0.534 191 Q N -0.398 119.392 119.800 -0.017 0.000 2.515 191 Q HA -0.083 4.257 4.340 -0.000 0.000 0.212 191 Q C 1.837 177.785 176.000 -0.087 0.000 0.970 191 Q CA 1.242 57.031 55.803 -0.025 0.000 0.941 191 Q CB -0.346 28.393 28.738 0.001 0.000 0.998 191 Q HN 0.457 nan 8.270 nan 0.000 0.518 192 T N -2.656 111.775 114.554 -0.205 0.000 3.148 192 T HA 0.133 4.482 4.350 -0.000 0.000 0.253 192 T C 0.775 175.378 174.700 -0.160 0.000 1.134 192 T CA -0.203 61.777 62.100 -0.200 0.000 1.051 192 T CB 0.002 68.692 68.868 -0.297 0.000 0.959 192 T HN 0.074 nan 8.240 nan 0.000 0.525 193 L N 3.332 124.474 121.223 -0.136 0.000 2.525 193 L HA 0.233 4.573 4.340 -0.000 0.000 0.278 193 L C -1.748 175.105 176.870 -0.028 0.000 1.218 193 L CA -1.658 53.138 54.840 -0.073 0.000 0.878 193 L CB 0.241 42.290 42.059 -0.017 0.000 1.127 193 L HN 0.152 nan 8.230 nan 0.000 0.492 194 P HA 0.096 nan 4.420 nan 0.000 0.279 194 P C 0.157 177.528 177.300 0.118 0.000 1.239 194 P CA -0.357 62.777 63.100 0.057 0.000 0.789 194 P CB 1.925 33.680 31.700 0.091 0.000 0.933 195 V N 2.453 122.429 119.914 0.104 0.000 2.695 195 V HA 0.100 4.220 4.120 -0.000 0.000 0.230 195 V C 1.300 177.472 176.094 0.129 0.000 1.110 195 V CA 1.096 63.463 62.300 0.112 0.000 1.159 195 V CB -0.461 31.394 31.823 0.053 0.000 0.875 195 V HN 0.427 nan 8.190 nan 0.000 0.502 196 M N 2.651 122.307 119.600 0.093 0.000 2.206 196 M HA 0.274 4.754 4.480 -0.000 0.000 0.353 196 M C 0.017 176.417 176.300 0.167 0.000 1.242 196 M CA 0.312 55.692 55.300 0.133 0.000 1.179 196 M CB -0.014 32.618 32.600 0.053 0.000 1.374 196 M HN 0.428 nan 8.290 nan 0.000 0.427 197 T N 2.457 117.114 114.554 0.172 0.000 2.832 197 T HA 0.300 4.650 4.350 -0.000 0.000 0.313 197 T C -0.040 174.682 174.700 0.038 0.000 1.035 197 T CA -0.694 61.479 62.100 0.121 0.000 0.950 197 T CB 0.602 69.595 68.868 0.208 0.000 0.984 197 T HN 0.635 nan 8.240 nan 0.000 0.486 198 K N 4.696 125.117 120.400 0.035 0.000 2.368 198 K HA 0.282 4.602 4.320 -0.000 0.000 0.282 198 K C 0.651 177.231 176.600 -0.034 0.000 1.035 198 K CA -0.368 55.907 56.287 -0.020 0.000 0.973 198 K CB 0.456 32.961 32.500 0.009 0.000 0.957 198 K HN 0.709 nan 8.250 nan 0.000 0.474 199 I N 2.195 122.724 120.570 -0.069 0.000 2.729 199 I HA -0.034 4.136 4.170 -0.000 0.000 0.256 199 I C 0.273 176.365 176.117 -0.042 0.000 1.115 199 I CA 0.456 61.724 61.300 -0.053 0.000 1.446 199 I CB 0.061 38.036 38.000 -0.042 0.000 1.176 199 I HN 0.757 nan 8.210 nan 0.000 0.446 200 D N -1.849 118.532 120.400 -0.030 0.000 2.946 200 D HA 0.031 4.671 4.640 -0.000 0.000 0.337 200 D C 0.418 176.708 176.300 -0.016 0.000 1.332 200 D CA 0.049 54.042 54.000 -0.012 0.000 0.935 200 D CB 0.222 41.033 40.800 0.019 0.000 1.440 200 D HN -0.103 nan 8.370 nan 0.000 0.540 201 S N -1.171 114.528 115.700 -0.002 0.000 2.607 201 S HA 0.071 4.541 4.470 -0.000 0.000 0.224 201 S C 1.213 175.799 174.600 -0.023 0.000 0.969 201 S CA 0.631 58.826 58.200 -0.009 0.000 0.927 201 S CB -0.361 62.838 63.200 -0.000 0.000 0.772 201 S HN 0.323 nan 8.310 nan 0.000 0.533 202 V N 0.020 119.912 119.914 -0.037 0.000 3.151 202 V HA 0.576 4.696 4.120 -0.000 0.000 0.241 202 V C 1.017 176.973 176.094 -0.231 0.000 1.173 202 V CA 0.786 63.024 62.300 -0.103 0.000 1.154 202 V CB 0.238 32.017 31.823 -0.074 0.000 0.898 202 V HN 0.683 nan 8.190 nan 0.000 0.473 203 A N -0.889 121.773 122.820 -0.265 0.000 2.527 203 A HA 0.895 5.215 4.320 -0.000 0.000 0.293 203 A C -0.245 177.106 177.584 -0.388 0.000 1.117 203 A CA 0.061 51.869 52.037 -0.382 0.000 0.723 203 A CB 1.731 20.445 19.000 -0.477 0.000 1.313 203 A HN 0.416 nan 8.150 nan 0.000 0.411 204 G N -0.844 107.497 108.800 -0.764 0.000 2.725 204 G HA2 0.628 4.588 3.960 -0.000 0.000 0.288 204 G HA3 0.628 4.588 3.960 -0.000 0.000 0.288 204 G C -1.504 172.835 174.900 -0.936 0.000 1.399 204 G CA -0.576 44.036 45.100 -0.813 0.000 0.859 204 G HN 0.681 nan 8.290 nan 0.000 0.479 205 I N 0.978 121.226 120.570 -0.537 0.000 2.436 205 I HA 0.265 4.435 4.170 -0.000 0.000 0.289 205 I C -0.814 175.214 176.117 -0.148 0.000 1.010 205 I CA -0.964 59.993 61.300 -0.571 0.000 1.098 205 I CB 2.262 39.703 38.000 -0.932 0.000 1.266 205 I HN 0.312 nan 8.210 nan 0.000 0.434 206 N N 5.458 124.166 118.700 0.015 0.000 2.437 206 N HA 0.160 4.900 4.740 -0.000 0.000 0.243 206 N C -0.576 174.909 175.510 -0.041 0.000 1.041 206 N CA 0.054 53.131 53.050 0.045 0.000 0.940 206 N CB 0.451 38.963 38.487 0.041 0.000 1.133 206 N HN 0.384 nan 8.380 nan 0.000 0.506 207 Y N 0.972 121.323 120.300 0.085 0.000 2.607 207 Y HA 0.375 4.925 4.550 -0.000 0.000 0.266 207 Y C 1.587 177.509 175.900 0.036 0.000 1.178 207 Y CA -0.636 57.499 58.100 0.059 0.000 1.226 207 Y CB 0.139 38.625 38.460 0.042 0.000 1.144 207 Y HN 0.484 nan 8.280 nan 0.000 0.528 208 G N 0.618 109.509 108.800 0.151 0.000 2.484 208 G HA2 0.229 4.189 3.960 -0.000 0.000 0.235 208 G HA3 0.229 4.189 3.960 -0.000 0.000 0.235 208 G C -0.328 174.617 174.900 0.075 0.000 1.282 208 G CA -0.423 44.729 45.100 0.087 0.000 0.857 208 G HN 0.077 nan 8.290 nan 0.000 0.571 209 L N 1.095 122.349 121.223 0.051 0.000 2.416 209 L HA 0.173 4.513 4.340 -0.000 0.000 0.272 209 L C 1.477 178.361 176.870 0.023 0.000 1.161 209 L CA 0.280 55.142 54.840 0.035 0.000 0.845 209 L CB 1.731 43.802 42.059 0.020 0.000 1.119 209 L HN 0.457 nan 8.230 nan 0.000 0.464 210 V N -0.097 119.828 119.914 0.019 0.000 3.621 210 V HA 0.753 4.873 4.120 -0.000 0.000 0.285 210 V C 0.460 176.552 176.094 -0.002 0.000 1.346 210 V CA 0.466 62.770 62.300 0.007 0.000 1.104 210 V CB -0.506 31.320 31.823 0.006 0.000 0.913 210 V HN 0.738 nan 8.190 nan 0.000 0.432 211 A N 0.550 123.368 122.820 -0.003 0.000 2.608 211 A HA 0.820 5.140 4.320 -0.000 0.000 0.292 211 A C -3.306 174.270 177.584 -0.012 0.000 1.066 211 A CA -1.265 50.766 52.037 -0.010 0.000 0.676 211 A CB 1.027 20.017 19.000 -0.015 0.000 1.277 211 A HN 0.069 nan 8.150 nan 0.000 0.413 212 P HA 0.425 nan 4.420 nan 0.000 0.274 212 P C -2.731 174.552 177.300 -0.028 0.000 1.231 212 P CA -1.249 61.838 63.100 -0.021 0.000 0.790 212 P CB -0.414 31.274 31.700 -0.020 0.000 0.951 213 P HA 0.107 nan 4.420 nan 0.000 0.262 213 P C -0.574 176.700 177.300 -0.044 0.000 1.182 213 P CA 0.581 63.654 63.100 -0.046 0.000 0.761 213 P CB 0.071 31.729 31.700 -0.071 0.000 0.795 214 A N 3.106 125.901 122.820 -0.041 0.000 2.288 214 A HA 0.567 4.887 4.320 -0.000 0.000 0.320 214 A C -0.071 177.488 177.584 -0.042 0.000 1.217 214 A CA -0.301 51.712 52.037 -0.040 0.000 0.840 214 A CB 0.471 19.446 19.000 -0.040 0.000 1.179 214 A HN 0.421 nan 8.150 nan 0.000 0.504 215 T N 2.553 117.084 114.554 -0.038 0.000 2.767 215 T HA 0.594 4.943 4.350 -0.000 0.000 0.284 215 T C 0.659 175.339 174.700 -0.034 0.000 0.973 215 T CA 0.087 62.166 62.100 -0.036 0.000 0.996 215 T CB 1.018 69.867 68.868 -0.032 0.000 0.927 215 T HN 0.944 nan 8.240 nan 0.000 0.456 216 T N -0.349 114.183 114.554 -0.036 0.000 2.804 216 T HA 0.713 5.063 4.350 -0.000 0.000 0.272 216 T C 1.718 176.399 174.700 -0.032 0.000 0.986 216 T CA -0.301 61.777 62.100 -0.037 0.000 0.999 216 T CB 0.934 69.773 68.868 -0.048 0.000 1.307 216 T HN 0.357 nan 8.240 nan 0.000 0.586 217 A N -0.149 122.653 122.820 -0.030 0.000 1.969 217 A HA 0.056 4.376 4.320 -0.000 0.000 0.218 217 A C 1.820 179.382 177.584 -0.038 0.000 1.169 217 A CA 1.332 53.351 52.037 -0.030 0.000 0.635 217 A CB -0.718 18.266 19.000 -0.026 0.000 0.810 217 A HN 0.892 nan 8.150 nan 0.000 0.445 218 E N -1.342 118.838 120.200 -0.034 0.000 2.641 218 E HA 0.098 4.447 4.350 -0.000 0.000 0.224 218 E C -0.274 176.321 176.600 -0.008 0.000 0.951 218 E CA 0.533 56.912 56.400 -0.036 0.000 1.102 218 E CB 0.842 30.535 29.700 -0.013 0.000 1.091 218 E HN 0.610 nan 8.360 nan 0.000 0.507 219 T N -0.983 113.560 114.554 -0.019 0.000 2.909 219 T HA 0.564 4.914 4.350 -0.000 0.000 0.299 219 T C -1.137 173.552 174.700 -0.019 0.000 1.073 219 T CA -0.931 61.161 62.100 -0.012 0.000 0.999 219 T CB 2.106 70.938 68.868 -0.060 0.000 1.098 219 T HN -0.030 nan 8.240 nan 0.000 0.477 220 L N 2.312 123.534 121.223 -0.002 0.000 2.316 220 L HA 0.606 4.946 4.340 -0.000 0.000 0.280 220 L C -1.441 175.422 176.870 -0.011 0.000 1.006 220 L CA -0.319 54.510 54.840 -0.019 0.000 0.836 220 L CB 1.021 43.063 42.059 -0.027 0.000 1.221 220 L HN 0.707 nan 8.230 nan 0.000 0.418 221 D N 4.732 125.116 120.400 -0.027 0.000 2.256 221 D HA 0.408 5.048 4.640 -0.000 0.000 0.240 221 D C -0.768 175.522 176.300 -0.018 0.000 1.062 221 D CA -0.107 53.882 54.000 -0.018 0.000 0.832 221 D CB 2.638 43.411 40.800 -0.045 0.000 1.135 221 D HN 0.259 nan 8.370 nan 0.000 0.484 222 V N 3.054 122.968 119.914 -0.001 0.000 2.334 222 V HA 0.197 4.317 4.120 -0.000 0.000 0.281 222 V C 0.008 176.108 176.094 0.009 0.000 1.016 222 V CA -0.710 61.588 62.300 -0.003 0.000 0.832 222 V CB 1.301 33.123 31.823 -0.002 0.000 0.999 222 V HN 0.327 nan 8.190 nan 0.000 0.439 223 Q N 5.402 125.205 119.800 0.004 0.000 2.303 223 Q HA 0.681 5.021 4.340 -0.000 0.000 0.257 223 Q C -0.757 175.261 176.000 0.029 0.000 0.941 223 Q CA -0.136 55.673 55.803 0.010 0.000 0.931 223 Q CB 2.029 30.763 28.738 -0.006 0.000 1.215 223 Q HN 0.675 nan 8.270 nan 0.000 0.437 224 M N 1.409 121.042 119.600 0.054 0.000 2.598 224 M HA 0.292 4.771 4.480 -0.000 0.000 0.317 224 M C 0.722 177.087 176.300 0.108 0.000 1.179 224 M CA -0.866 54.494 55.300 0.100 0.000 0.936 224 M CB 1.633 34.336 32.600 0.172 0.000 1.713 224 M HN 0.377 nan 8.290 nan 0.000 0.460 225 K N 2.215 122.683 120.400 0.114 0.000 2.034 225 K HA -0.089 4.231 4.320 -0.000 0.000 0.214 225 K C 0.885 177.601 176.600 0.194 0.000 1.051 225 K CA 2.170 58.527 56.287 0.117 0.000 0.931 225 K CB -0.721 31.837 32.500 0.096 0.000 0.715 225 K HN 1.058 nan 8.250 nan 0.000 0.446 226 G N 1.137 110.061 108.800 0.207 0.000 2.350 226 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.298 226 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.298 226 G C -0.514 174.673 174.900 0.479 0.000 1.037 226 G CA 0.717 46.001 45.100 0.307 0.000 1.074 226 G HN 0.504 nan 8.290 nan 0.000 0.511 227 E N -0.295 120.070 120.200 0.273 0.000 2.224 227 E HA 0.580 4.929 4.350 -0.000 0.000 0.265 227 E C -0.280 176.384 176.600 0.108 0.000 0.878 227 E CA -1.110 55.439 56.400 0.248 0.000 0.759 227 E CB 0.798 30.655 29.700 0.261 0.000 1.164 227 E HN 0.035 nan 8.360 nan 0.000 0.414 228 F N 3.820 123.702 119.950 -0.112 0.000 2.471 228 F HA 0.210 4.737 4.527 -0.000 0.000 0.353 228 F C 0.137 175.884 175.800 -0.088 0.000 1.113 228 F CA 0.358 58.251 58.000 -0.178 0.000 1.262 228 F CB 0.350 39.214 39.000 -0.227 0.000 1.146 228 F HN 0.363 nan 8.300 nan 0.000 0.578 229 Y N -0.723 119.579 120.300 0.002 0.000 2.615 229 Y HA 0.646 5.196 4.550 -0.000 0.000 0.341 229 Y C -0.907 174.955 175.900 -0.064 0.000 1.089 229 Y CA -1.689 56.391 58.100 -0.034 0.000 1.049 229 Y CB 1.050 39.483 38.460 -0.045 0.000 1.296 229 Y HN 0.424 nan 8.280 nan 0.000 0.470 230 S N 0.116 115.862 115.700 0.076 0.000 2.565 230 S HA 0.323 4.793 4.470 -0.000 0.000 0.290 230 S C 0.143 174.854 174.600 0.185 0.000 1.150 230 S CA -0.513 57.691 58.200 0.006 0.000 1.058 230 S CB 1.345 64.532 63.200 -0.023 0.000 1.032 230 S HN 0.858 nan 8.310 nan 0.000 0.510 231 E N 2.458 122.730 120.200 0.120 0.000 2.481 231 E HA 0.015 4.365 4.350 -0.000 0.000 0.195 231 E C 1.998 178.637 176.600 0.065 0.000 1.047 231 E CA 0.832 57.316 56.400 0.140 0.000 0.867 231 E CB -0.122 29.643 29.700 0.109 0.000 0.858 231 E HN 0.814 nan 8.360 nan 0.000 0.513 232 N N -0.257 118.467 118.700 0.040 0.000 2.436 232 N HA -0.016 4.724 4.740 -0.000 0.000 0.178 232 N C 0.987 176.508 175.510 0.018 0.000 1.026 232 N CA 0.847 53.908 53.050 0.019 0.000 0.880 232 N CB -0.512 37.978 38.487 0.006 0.000 1.061 232 N HN 0.332 nan 8.380 nan 0.000 0.434 233 H N -2.961 116.122 119.070 0.022 0.000 2.544 233 H HA 0.629 5.185 4.556 -0.000 0.000 0.365 233 H C 1.157 176.497 175.328 0.021 0.000 1.268 233 H CA 0.954 57.012 56.048 0.016 0.000 1.400 233 H CB -0.080 29.687 29.762 0.009 0.000 1.538 233 H HN 0.976 nan 8.280 nan 0.000 0.597 234 H N -1.506 117.568 119.070 0.006 0.000 3.580 234 H HA 0.393 4.949 4.556 -0.000 0.000 0.245 234 H C 1.450 176.772 175.328 -0.009 0.000 1.015 234 H CA 1.075 57.121 56.048 -0.003 0.000 1.113 234 H CB -0.782 28.973 29.762 -0.011 0.000 1.469 234 H HN 1.232 nan 8.280 nan 0.000 0.554 235 N N 2.553 121.245 118.700 -0.012 0.000 2.412 235 N HA 0.360 5.100 4.740 -0.000 0.000 0.258 235 N C -2.188 173.301 175.510 -0.035 0.000 1.236 235 N CA -0.401 52.636 53.050 -0.023 0.000 0.882 235 N CB -0.586 37.886 38.487 -0.025 0.000 1.066 235 N HN 0.558 nan 8.380 nan 0.000 0.465 236 P HA 0.331 nan 4.420 nan 0.000 0.274 236 P C -2.360 174.862 177.300 -0.130 0.000 1.237 236 P CA -0.807 62.262 63.100 -0.052 0.000 0.793 236 P CB 0.082 31.764 31.700 -0.029 0.000 0.977 237 P HA 0.097 nan 4.420 nan 0.000 0.269 237 P C -1.737 175.268 177.300 -0.491 0.000 1.215 237 P CA -0.957 61.805 63.100 -0.563 0.000 0.780 237 P CB -0.357 30.714 31.700 -1.048 0.000 0.898 238 P HA 0.048 nan 4.420 nan 0.000 0.249 238 P C -0.324 176.948 177.300 -0.047 0.000 1.229 238 P CA 0.477 63.479 63.100 -0.163 0.000 0.788 238 P CB 0.027 31.709 31.700 -0.029 0.000 1.072 239 F N -0.192 119.835 119.950 0.129 0.000 2.518 239 F HA 0.837 5.364 4.527 -0.000 0.000 0.338 239 F C -0.133 175.838 175.800 0.286 0.000 1.065 239 F CA -1.993 56.111 58.000 0.174 0.000 1.012 239 F CB 0.283 39.380 39.000 0.162 0.000 1.297 239 F HN -0.167 nan 8.300 nan 0.000 0.489 240 A N 0.427 123.548 122.820 0.502 0.000 2.384 240 A HA 0.865 5.185 4.320 -0.000 0.000 0.312 240 A C -2.943 174.757 177.584 0.194 0.000 1.113 240 A CA -2.078 50.116 52.037 0.261 0.000 0.779 240 A CB 0.854 19.921 19.000 0.112 0.000 1.307 240 A HN 0.579 nan 8.150 nan 0.000 0.436 241 P HA 0.350 nan 4.420 nan 0.000 0.272 241 P C -2.482 174.815 177.300 -0.004 0.000 1.223 241 P CA -0.797 62.162 63.100 -0.235 0.000 0.784 241 P CB 0.234 31.639 31.700 -0.491 0.000 0.923 242 P HA 0.159 nan 4.420 nan 0.000 0.280 242 P C -0.794 176.526 177.300 0.034 0.000 1.272 242 P CA -0.328 62.828 63.100 0.092 0.000 0.819 242 P CB 0.812 32.613 31.700 0.169 0.000 1.122 243 V N 2.043 121.982 119.914 0.042 0.000 2.583 243 V HA 0.160 4.280 4.120 -0.000 0.000 0.287 243 V C 0.737 176.810 176.094 -0.036 0.000 1.051 243 V CA 0.216 62.516 62.300 0.000 0.000 1.010 243 V CB 0.119 31.957 31.823 0.025 0.000 0.988 243 V HN 0.440 nan 8.190 nan 0.000 0.478 244 M N 5.803 125.298 119.600 -0.175 0.000 2.043 244 M HA 0.435 4.915 4.480 -0.000 0.000 0.322 244 M C -0.546 175.633 176.300 -0.202 0.000 0.962 244 M CA -0.235 54.756 55.300 -0.514 0.000 0.927 244 M CB 1.433 33.469 32.600 -0.939 0.000 1.466 244 M HN 0.564 nan 8.290 nan 0.000 0.412 245 E N 5.480 125.711 120.200 0.052 0.000 2.210 245 E HA 0.618 4.968 4.350 -0.000 0.000 0.266 245 E C -1.995 174.844 176.600 0.398 0.000 0.883 245 E CA -0.437 56.040 56.400 0.128 0.000 0.761 245 E CB 1.655 31.402 29.700 0.078 0.000 1.156 245 E HN 0.506 nan 8.360 nan 0.000 0.412 246 F N 1.751 121.719 119.950 0.029 0.000 2.619 246 F HA 0.622 5.149 4.527 -0.000 0.000 0.308 246 F C -2.654 173.134 175.800 -0.020 0.000 1.097 246 F CA -2.401 55.630 58.000 0.052 0.000 0.953 246 F CB 0.284 39.290 39.000 0.010 0.000 1.287 246 F HN 0.109 nan 8.300 nan 0.000 0.446 247 P HA 0.279 nan 4.420 nan 0.000 0.269 247 P C -0.578 176.649 177.300 -0.122 0.000 1.215 247 P CA -0.095 62.983 63.100 -0.037 0.000 0.780 247 P CB 1.030 32.738 31.700 0.015 0.000 0.898 248 A N 1.914 124.661 122.820 -0.120 0.000 2.477 248 A HA 0.513 4.832 4.320 -0.000 0.000 0.246 248 A C 0.337 177.838 177.584 -0.138 0.000 1.078 248 A CA 0.147 52.130 52.037 -0.091 0.000 0.770 248 A CB -0.443 18.584 19.000 0.045 0.000 1.011 248 A HN 0.773 nan 8.150 nan 0.000 0.494 249 A N 1.675 124.379 122.820 -0.193 0.000 2.454 249 A HA 0.727 5.046 4.320 -0.000 0.000 0.302 249 A C -0.253 177.349 177.584 0.031 0.000 1.079 249 A CA -0.585 51.279 52.037 -0.288 0.000 0.731 249 A CB 0.777 19.628 19.000 -0.247 0.000 1.299 249 A HN 1.013 nan 8.150 nan 0.000 0.413 250 H N -0.094 119.061 119.070 0.141 0.000 3.233 250 H HA 0.106 4.662 4.556 -0.000 0.000 0.263 250 H C 0.403 175.825 175.328 0.156 0.000 1.168 250 H CA 0.146 56.290 56.048 0.159 0.000 1.159 250 H CB 0.648 30.466 29.762 0.092 0.000 1.593 250 H HN 0.763 nan 8.280 nan 0.000 0.580 251 D N 1.590 122.119 120.400 0.215 0.000 2.219 251 D HA -0.081 4.559 4.640 -0.000 0.000 0.205 251 D C 0.690 177.048 176.300 0.097 0.000 0.970 251 D CA 0.709 54.795 54.000 0.142 0.000 0.851 251 D CB 0.499 41.365 40.800 0.110 0.000 0.943 251 D HN 0.316 nan 8.370 nan 0.000 0.488 252 R N -0.757 119.808 120.500 0.109 0.000 2.888 252 R HA 0.458 4.797 4.340 -0.000 0.000 0.266 252 R C 1.184 177.412 176.300 -0.119 0.000 1.020 252 R CA -0.705 55.329 56.100 -0.111 0.000 0.963 252 R CB 1.751 31.863 30.300 -0.313 0.000 1.197 252 R HN -0.104 nan 8.270 nan 0.000 0.481 253 M N 0.548 120.043 119.600 -0.176 0.000 2.254 253 M HA -0.020 4.460 4.480 -0.000 0.000 0.265 253 M C 0.719 176.975 176.300 -0.074 0.000 1.066 253 M CA 1.261 56.511 55.300 -0.084 0.000 1.123 253 M CB 0.225 32.764 32.600 -0.101 0.000 1.388 253 M HN 0.394 nan 8.290 nan 0.000 0.425 254 V N -3.654 116.117 119.914 -0.239 0.000 3.087 254 V HA 0.497 4.616 4.120 -0.000 0.000 0.306 254 V C -1.963 173.912 176.094 -0.365 0.000 1.187 254 V CA -1.154 61.063 62.300 -0.138 0.000 0.999 254 V CB 1.669 33.470 31.823 -0.036 0.000 1.049 254 V HN 0.123 nan 8.190 nan 0.000 0.431 255 Y N 3.008 123.383 120.300 0.126 0.000 2.361 255 Y HA 0.712 5.261 4.550 -0.000 0.000 0.337 255 Y C -0.415 175.561 175.900 0.127 0.000 0.965 255 Y CA -0.913 57.274 58.100 0.145 0.000 1.091 255 Y CB 2.141 40.759 38.460 0.263 0.000 1.182 255 Y HN 0.571 nan 8.280 nan 0.000 0.450 256 L N 3.514 124.855 121.223 0.197 0.000 2.280 256 L HA 0.608 4.948 4.340 -0.000 0.000 0.287 256 L C 0.169 177.107 176.870 0.113 0.000 1.023 256 L CA -0.103 54.821 54.840 0.139 0.000 0.819 256 L CB 0.934 43.071 42.059 0.130 0.000 1.212 256 L HN 0.861 nan 8.230 nan 0.000 0.420 257 G N 6.180 115.011 108.800 0.052 0.000 2.347 257 G HA2 0.534 4.494 3.960 -0.000 0.000 0.314 257 G HA3 0.534 4.494 3.960 -0.000 0.000 0.314 257 G C -0.683 174.235 174.900 0.031 0.000 1.126 257 G CA -0.428 44.676 45.100 0.008 0.000 0.929 257 G HN 0.538 nan 8.290 nan 0.000 0.441 258 L N 3.423 124.732 121.223 0.143 0.000 2.295 258 L HA 0.319 4.659 4.340 -0.000 0.000 0.281 258 L C 0.888 177.922 176.870 0.273 0.000 1.018 258 L CA -0.780 54.072 54.840 0.020 0.000 0.841 258 L CB 1.406 43.496 42.059 0.052 0.000 1.218 258 L HN 0.648 nan 8.230 nan 0.000 0.424 259 S N -0.399 115.434 115.700 0.221 0.000 2.593 259 S HA 0.042 4.512 4.470 -0.000 0.000 0.269 259 S C 0.949 175.864 174.600 0.524 0.000 1.334 259 S CA -0.373 58.055 58.200 0.380 0.000 1.015 259 S CB 1.150 64.533 63.200 0.304 0.000 0.912 259 S HN 0.706 nan 8.310 nan 0.000 0.541 260 D N 1.032 121.733 120.400 0.501 0.000 2.149 260 D HA -0.267 4.373 4.640 -0.000 0.000 0.198 260 D C 1.535 178.090 176.300 0.425 0.000 0.990 260 D CA 1.767 56.056 54.000 0.482 0.000 0.839 260 D CB -0.882 40.105 40.800 0.311 0.000 0.948 260 D HN 0.753 nan 8.370 nan 0.000 0.460 261 Y N 0.404 120.873 120.300 0.281 0.000 2.114 261 Y HA -0.262 4.287 4.550 -0.000 0.000 0.282 261 Y C 2.172 178.283 175.900 0.350 0.000 1.165 261 Y CA 1.983 60.272 58.100 0.315 0.000 1.148 261 Y CB -0.717 37.947 38.460 0.339 0.000 0.972 261 Y HN -0.011 nan 8.280 nan 0.000 0.504 262 F N 0.084 120.203 119.950 0.282 0.000 2.065 262 F HA -0.311 4.216 4.527 -0.000 0.000 0.298 262 F C 1.766 177.535 175.800 -0.052 0.000 1.112 262 F CA 2.089 60.139 58.000 0.084 0.000 1.212 262 F CB -1.022 37.933 39.000 -0.075 0.000 0.975 262 F HN 0.084 nan 8.300 nan 0.000 0.476 263 F N 0.819 120.821 119.950 0.086 0.000 2.146 263 F HA -0.174 4.353 4.527 -0.000 0.000 0.298 263 F C 2.455 178.098 175.800 -0.261 0.000 1.096 263 F CA 1.602 59.483 58.000 -0.199 0.000 1.275 263 F CB -1.221 37.782 39.000 0.005 0.000 1.008 263 F HN 0.050 nan 8.300 nan 0.000 0.480 264 N N -0.105 118.608 118.700 0.021 0.000 2.244 264 N HA -0.135 4.605 4.740 -0.000 0.000 0.183 264 N C 1.987 177.473 175.510 -0.039 0.000 1.016 264 N CA 1.940 54.926 53.050 -0.108 0.000 0.866 264 N CB -0.538 37.700 38.487 -0.416 0.000 0.980 264 N HN 0.386 nan 8.380 nan 0.000 0.430 265 T N -1.059 113.467 114.554 -0.047 0.000 2.833 265 T HA 0.024 4.374 4.350 -0.000 0.000 0.269 265 T C 2.070 176.670 174.700 -0.167 0.000 1.054 265 T CA 1.065 63.146 62.100 -0.031 0.000 1.135 265 T CB -0.205 68.610 68.868 -0.089 0.000 0.869 265 T HN 0.135 nan 8.240 nan 0.000 0.466 266 A N 1.943 124.414 122.820 -0.582 0.000 1.877 266 A HA 0.260 4.580 4.320 -0.000 0.000 0.216 266 A C 2.767 180.257 177.584 -0.157 0.000 1.186 266 A CA 1.611 53.146 52.037 -0.837 0.000 0.620 266 A CB -1.632 16.370 19.000 -1.663 0.000 0.822 266 A HN 0.605 nan 8.150 nan 0.000 0.443 267 G N -0.185 108.556 108.800 -0.098 0.000 2.442 267 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.219 267 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.219 267 G C 1.502 176.435 174.900 0.054 0.000 1.141 267 G CA 1.273 46.402 45.100 0.049 0.000 0.763 267 G HN 0.511 nan 8.290 nan 0.000 0.554 268 L N 0.740 121.978 121.223 0.025 0.000 2.017 268 L HA -0.009 4.331 4.340 -0.000 0.000 0.208 268 L C 2.911 179.786 176.870 0.008 0.000 1.073 268 L CA 1.539 56.400 54.840 0.035 0.000 0.745 268 L CB -0.594 41.509 42.059 0.072 0.000 0.894 268 L HN 0.076 nan 8.230 nan 0.000 0.432 269 V N -0.876 119.017 119.914 -0.035 0.000 2.261 269 V HA -0.329 3.791 4.120 -0.000 0.000 0.246 269 V C 2.326 178.332 176.094 -0.147 0.000 1.047 269 V CA 2.134 64.362 62.300 -0.120 0.000 1.015 269 V CB -0.904 30.791 31.823 -0.214 0.000 0.642 269 V HN 0.458 nan 8.190 nan 0.000 0.446 270 Y N -0.179 120.117 120.300 -0.007 0.000 2.242 270 Y HA -0.181 4.368 4.550 -0.000 0.000 0.291 270 Y C 2.745 178.652 175.900 0.011 0.000 1.137 270 Y CA 1.690 59.793 58.100 0.005 0.000 1.181 270 Y CB -0.385 38.080 38.460 0.009 0.000 0.989 270 Y HN 0.192 nan 8.280 nan 0.000 0.527 271 Q N 1.009 120.897 119.800 0.146 0.000 2.079 271 Q HA -0.211 4.129 4.340 -0.000 0.000 0.200 271 Q C 1.605 177.640 176.000 0.058 0.000 0.974 271 Q CA 1.662 57.522 55.803 0.095 0.000 0.840 271 Q CB -0.094 28.687 28.738 0.071 0.000 0.898 271 Q HN 0.589 nan 8.270 nan 0.000 0.430 272 E N -0.200 120.019 120.200 0.033 0.000 2.268 272 E HA -0.113 4.237 4.350 -0.000 0.000 0.195 272 E C 1.583 178.188 176.600 0.010 0.000 0.995 272 E CA 0.717 57.126 56.400 0.015 0.000 0.836 272 E CB 0.001 29.701 29.700 0.000 0.000 0.763 272 E HN 0.384 nan 8.360 nan 0.000 0.491 273 A N 0.348 123.171 122.820 0.007 0.000 2.206 273 A HA 0.182 4.502 4.320 -0.000 0.000 0.211 273 A C 1.784 179.383 177.584 0.026 0.000 1.158 273 A CA 0.835 52.873 52.037 0.003 0.000 0.761 273 A CB -0.318 18.670 19.000 -0.019 0.000 0.801 273 A HN 0.324 nan 8.150 nan 0.000 0.473 274 G N -1.224 107.601 108.800 0.041 0.000 2.143 274 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.248 274 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.248 274 G C 0.915 175.845 174.900 0.050 0.000 0.991 274 G CA 0.956 46.081 45.100 0.042 0.000 0.689 274 G HN 1.542 nan 8.290 nan 0.000 0.522 275 V N -2.016 117.946 119.914 0.079 0.000 3.608 275 V HA 0.483 4.603 4.120 -0.000 0.000 0.269 275 V C 1.493 177.630 176.094 0.072 0.000 1.245 275 V CA 0.676 63.025 62.300 0.082 0.000 1.138 275 V CB 0.027 31.927 31.823 0.128 0.000 0.841 275 V HN 0.345 nan 8.190 nan 0.000 0.451 276 L N 3.206 124.478 121.223 0.082 0.000 2.583 276 L HA 0.453 4.793 4.340 -0.000 0.000 0.239 276 L C 0.232 177.137 176.870 0.058 0.000 1.347 276 L CA 0.127 55.010 54.840 0.071 0.000 1.246 276 L CB -0.729 41.386 42.059 0.092 0.000 1.496 276 L HN 0.592 nan 8.230 nan 0.000 0.413 277 K N 1.029 121.453 120.400 0.041 0.000 2.555 277 K HA 0.811 5.131 4.320 -0.000 0.000 0.279 277 K C -1.335 175.270 176.600 0.010 0.000 0.986 277 K CA -0.973 55.333 56.287 0.032 0.000 0.880 277 K CB 2.769 35.283 32.500 0.024 0.000 1.474 277 K HN 0.074 nan 8.250 nan 0.000 0.433 278 M N 1.266 120.868 119.600 0.003 0.000 2.414 278 M HA 0.270 4.750 4.480 -0.000 0.000 0.287 278 M C -1.706 174.570 176.300 -0.040 0.000 1.181 278 M CA -0.362 54.928 55.300 -0.015 0.000 0.933 278 M CB 3.120 35.727 32.600 0.011 0.000 1.732 278 M HN 0.848 nan 8.290 nan 0.000 0.486 279 T N 4.557 119.059 114.554 -0.086 0.000 2.771 279 T HA 0.635 4.985 4.350 -0.000 0.000 0.281 279 T C -0.791 173.913 174.700 0.005 0.000 0.982 279 T CA -0.474 61.555 62.100 -0.117 0.000 0.978 279 T CB 0.700 69.403 68.868 -0.275 0.000 0.930 279 T HN 0.457 nan 8.240 nan 0.000 0.447 280 L N 4.163 125.439 121.223 0.088 0.000 2.307 280 L HA 0.637 4.977 4.340 -0.000 0.000 0.284 280 L C 0.416 177.351 176.870 0.108 0.000 1.023 280 L CA -0.831 54.066 54.840 0.096 0.000 0.810 280 L CB 1.372 43.505 42.059 0.123 0.000 1.231 280 L HN 0.398 nan 8.230 nan 0.000 0.423 281 R N 0.493 121.042 120.500 0.080 0.000 2.854 281 R HA 0.218 4.558 4.340 -0.000 0.000 0.271 281 R C 0.144 176.489 176.300 0.075 0.000 0.996 281 R CA -0.877 55.265 56.100 0.070 0.000 0.961 281 R CB 1.568 31.895 30.300 0.045 0.000 1.182 281 R HN 0.492 nan 8.270 nan 0.000 0.479 282 D N 1.039 121.480 120.400 0.067 0.000 2.182 282 D HA -0.196 4.444 4.640 -0.000 0.000 0.201 282 D C 0.946 177.282 176.300 0.061 0.000 0.986 282 D CA 1.886 55.930 54.000 0.073 0.000 0.847 282 D CB 0.065 40.901 40.800 0.061 0.000 0.942 282 D HN 0.689 nan 8.370 nan 0.000 0.467 283 D N -1.205 119.223 120.400 0.047 0.000 2.309 283 D HA -0.164 4.476 4.640 -0.000 0.000 0.212 283 D C 1.726 178.053 176.300 0.044 0.000 0.968 283 D CA 0.798 54.821 54.000 0.038 0.000 0.882 283 D CB -0.337 40.480 40.800 0.028 0.000 0.918 283 D HN 0.311 nan 8.370 nan 0.000 0.503 284 M N -0.012 119.622 119.600 0.055 0.000 2.502 284 M HA 0.142 4.622 4.480 -0.000 0.000 0.243 284 M C -0.135 176.216 176.300 0.085 0.000 1.130 284 M CA -0.085 55.250 55.300 0.059 0.000 1.055 284 M CB 0.663 33.295 32.600 0.053 0.000 1.457 284 M HN -0.017 nan 8.290 nan 0.000 0.488 285 I N 2.421 123.054 120.570 0.105 0.000 2.308 285 I HA 0.235 4.405 4.170 -0.000 0.000 0.293 285 I C -2.050 174.147 176.117 0.132 0.000 1.078 285 I CA -2.795 58.599 61.300 0.156 0.000 1.292 285 I CB -0.762 37.331 38.000 0.154 0.000 1.423 285 I HN -0.180 nan 8.210 nan 0.000 0.493 286 P HA -0.120 nan 4.420 nan 0.000 0.263 286 P C 0.973 178.320 177.300 0.078 0.000 1.162 286 P CA 0.317 63.497 63.100 0.133 0.000 0.758 286 P CB 0.723 32.551 31.700 0.214 0.000 0.773 287 K N 3.635 124.060 120.400 0.042 0.000 2.152 287 K HA -0.232 4.087 4.320 -0.000 0.000 0.206 287 K C 1.560 178.150 176.600 -0.017 0.000 1.048 287 K CA 1.962 58.252 56.287 0.006 0.000 0.933 287 K CB -0.085 32.419 32.500 0.007 0.000 0.721 287 K HN 0.564 nan 8.250 nan 0.000 0.447 288 E N -0.093 120.112 120.200 0.009 0.000 2.401 288 E HA -0.094 4.255 4.350 -0.000 0.000 0.199 288 E C 0.371 176.914 176.600 -0.094 0.000 1.023 288 E CA 0.521 56.913 56.400 -0.013 0.000 0.859 288 E CB 0.032 29.758 29.700 0.042 0.000 0.780 288 E HN 0.065 nan 8.360 nan 0.000 0.523 289 S N 0.474 116.092 115.700 -0.135 0.000 2.562 289 S HA 0.122 4.592 4.470 -0.000 0.000 0.275 289 S C 0.845 175.221 174.600 -0.372 0.000 1.281 289 S CA -0.815 57.179 58.200 -0.344 0.000 1.045 289 S CB 0.998 63.930 63.200 -0.446 0.000 0.962 289 S HN 0.321 nan 8.310 nan 0.000 0.503 290 K N 2.978 123.036 120.400 -0.569 0.000 2.305 290 K HA 0.048 4.368 4.320 -0.000 0.000 0.199 290 K C -0.351 175.654 176.600 -0.991 0.000 1.047 290 K CA 0.489 56.374 56.287 -0.669 0.000 0.976 290 K CB -0.276 31.813 32.500 -0.685 0.000 0.765 290 K HN 0.499 nan 8.250 nan 0.000 0.474 291 F N 2.946 122.547 119.950 -0.582 0.000 2.467 291 F HA 0.200 4.727 4.527 -0.000 0.000 0.362 291 F C 0.663 176.120 175.800 -0.571 0.000 1.090 291 F CA -0.587 57.018 58.000 -0.660 0.000 1.202 291 F CB 0.440 39.328 39.000 -0.186 0.000 1.113 291 F HN -0.211 nan 8.300 nan 0.000 0.541 292 R N 3.525 123.658 120.500 -0.611 0.000 2.670 292 R HA 0.428 4.768 4.340 -0.000 0.000 0.289 292 R C -0.714 175.781 176.300 0.325 0.000 0.965 292 R CA -1.017 55.027 56.100 -0.094 0.000 0.899 292 R CB 1.420 31.642 30.300 -0.130 0.000 1.173 292 R HN 0.701 nan 8.270 nan 0.000 0.456 293 L N 2.900 124.276 121.223 0.255 0.000 2.391 293 L HA 0.204 4.544 4.340 -0.000 0.000 0.249 293 L C 0.161 177.074 176.870 0.071 0.000 1.308 293 L CA -0.040 54.928 54.840 0.212 0.000 1.209 293 L CB -0.478 41.659 42.059 0.131 0.000 1.401 293 L HN 0.692 nan 8.230 nan 0.000 0.416 294 T N -4.657 109.982 114.554 0.140 0.000 2.900 294 T HA 0.233 4.583 4.350 -0.000 0.000 0.303 294 T C 0.991 175.731 174.700 0.066 0.000 1.142 294 T CA -0.149 61.998 62.100 0.079 0.000 1.007 294 T CB 1.810 70.771 68.868 0.155 0.000 1.156 294 T HN 0.316 nan 8.240 nan 0.000 0.490 295 T N -0.695 113.860 114.554 0.001 0.000 2.867 295 T HA -0.054 4.296 4.350 -0.000 0.000 0.268 295 T C 1.694 176.458 174.700 0.106 0.000 1.057 295 T CA 1.107 63.218 62.100 0.017 0.000 1.136 295 T CB -0.397 68.493 68.868 0.038 0.000 0.874 295 T HN 0.735 nan 8.240 nan 0.000 0.466 296 K N 0.178 120.655 120.400 0.128 0.000 1.991 296 K HA -0.129 4.191 4.320 -0.000 0.000 0.212 296 K C 2.005 178.715 176.600 0.184 0.000 1.049 296 K CA 1.709 58.076 56.287 0.133 0.000 0.932 296 K CB -0.494 32.088 32.500 0.136 0.000 0.717 296 K HN 0.326 nan 8.250 nan 0.000 0.441 297 F N 0.585 120.644 119.950 0.182 0.000 2.102 297 F HA -0.160 4.367 4.527 -0.000 0.000 0.298 297 F C 1.749 177.753 175.800 0.341 0.000 1.105 297 F CA 1.383 59.537 58.000 0.256 0.000 1.239 297 F CB -0.423 38.761 39.000 0.306 0.000 0.991 297 F HN 0.016 nan 8.300 nan 0.000 0.474 298 F N 1.029 120.948 119.950 -0.052 0.000 2.250 298 F HA -0.051 4.476 4.527 -0.000 0.000 0.301 298 F C 2.685 178.074 175.800 -0.684 0.000 1.077 298 F CA 1.205 58.924 58.000 -0.469 0.000 1.348 298 F CB -1.527 37.305 39.000 -0.280 0.000 1.040 298 F HN 0.077 nan 8.300 nan 0.000 0.509 299 G N -0.878 107.836 108.800 -0.143 0.000 2.479 299 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.220 299 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.220 299 G C 1.702 176.488 174.900 -0.190 0.000 1.115 299 G CA 1.446 46.452 45.100 -0.157 0.000 0.757 299 G HN 0.433 nan 8.290 nan 0.000 0.560 300 T N -1.034 113.394 114.554 -0.211 0.000 2.915 300 T HA -0.027 4.323 4.350 -0.000 0.000 0.269 300 T C 1.923 176.587 174.700 -0.061 0.000 1.071 300 T CA 1.471 63.489 62.100 -0.136 0.000 1.132 300 T CB -0.321 68.437 68.868 -0.184 0.000 0.878 300 T HN 0.570 nan 8.240 nan 0.000 0.479 301 F N -0.305 119.474 119.950 -0.284 0.000 2.747 301 F HA 0.595 5.122 4.527 -0.000 0.000 0.305 301 F C 0.281 175.958 175.800 -0.205 0.000 1.065 301 F CA -1.215 56.644 58.000 -0.236 0.000 1.230 301 F CB 0.149 38.984 39.000 -0.276 0.000 1.027 301 F HN -0.006 nan 8.300 nan 0.000 0.607 302 L N 1.062 121.882 121.223 -0.672 0.000 2.358 302 L HA 0.468 4.808 4.340 -0.000 0.000 0.268 302 L C -1.345 175.350 176.870 -0.291 0.000 1.032 302 L CA -2.062 52.468 54.840 -0.518 0.000 0.805 302 L CB 0.972 42.573 42.059 -0.764 0.000 1.253 302 L HN -0.214 nan 8.230 nan 0.000 0.452 303 P HA -0.164 nan 4.420 nan 0.000 0.212 303 P C 0.664 177.931 177.300 -0.056 0.000 1.027 303 P CA 0.686 63.738 63.100 -0.081 0.000 0.913 303 P CB 0.202 31.893 31.700 -0.015 0.000 0.573 304 E N -0.480 119.711 120.200 -0.015 0.000 2.516 304 E HA -0.044 4.306 4.350 -0.000 0.000 0.199 304 E C 1.911 178.530 176.600 0.032 0.000 1.069 304 E CA 0.261 56.663 56.400 0.004 0.000 0.876 304 E CB -0.511 29.202 29.700 0.021 0.000 0.843 304 E HN 0.013 nan 8.360 nan 0.000 0.530 305 V N 1.697 121.635 119.914 0.040 0.000 2.231 305 V HA -0.341 3.778 4.120 -0.000 0.000 0.250 305 V C 2.509 178.673 176.094 0.117 0.000 1.058 305 V CA 2.299 64.667 62.300 0.114 0.000 1.022 305 V CB -1.020 30.833 31.823 0.051 0.000 0.640 305 V HN 0.301 nan 8.190 nan 0.000 0.445 306 A N 0.194 123.039 122.820 0.041 0.000 1.972 306 A HA -0.185 4.134 4.320 -0.000 0.000 0.219 306 A C 2.255 179.852 177.584 0.023 0.000 1.169 306 A CA 1.795 53.855 52.037 0.039 0.000 0.635 306 A CB -0.355 18.651 19.000 0.012 0.000 0.810 306 A HN 0.620 nan 8.150 nan 0.000 0.446 307 K N 0.095 120.493 120.400 -0.004 0.000 1.991 307 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 307 K C 1.998 178.543 176.600 -0.091 0.000 1.045 307 K CA 1.476 57.741 56.287 -0.037 0.000 0.937 307 K CB -0.510 31.966 32.500 -0.040 0.000 0.720 307 K HN 0.439 nan 8.250 nan 0.000 0.438 308 K N 0.156 120.477 120.400 -0.132 0.000 2.097 308 K HA -0.053 4.267 4.320 -0.000 0.000 0.206 308 K C -0.074 176.110 176.600 -0.693 0.000 1.049 308 K CA 1.005 57.052 56.287 -0.401 0.000 0.933 308 K CB 0.129 32.388 32.500 -0.403 0.000 0.717 308 K HN 0.014 nan 8.250 nan 0.000 0.442 309 F N 1.038 120.978 119.950 -0.018 0.000 2.550 309 F HA 0.325 4.852 4.527 -0.000 0.000 0.348 309 F C -2.480 173.310 175.800 -0.018 0.000 1.219 309 F CA -2.721 55.268 58.000 -0.019 0.000 1.203 309 F CB 1.287 40.269 39.000 -0.031 0.000 1.436 309 F HN -0.171 nan 8.300 nan 0.000 0.541 310 P HA 0.055 nan 4.420 nan 0.000 0.267 310 P C -0.074 177.267 177.300 0.068 0.000 1.205 310 P CA 0.209 63.345 63.100 0.060 0.000 0.765 310 P CB 0.390 32.103 31.700 0.022 0.000 0.828 311 N N 1.160 119.897 118.700 0.061 0.000 2.714 311 N HA -0.187 4.553 4.740 -0.000 0.000 0.252 311 N C -0.493 175.047 175.510 0.051 0.000 1.014 311 N CA 1.098 54.180 53.050 0.053 0.000 0.735 311 N CB -1.125 37.387 38.487 0.041 0.000 0.924 311 N HN 0.535 nan 8.380 nan 0.000 0.540 312 M N 0.084 119.716 119.600 0.054 0.000 2.598 312 M HA 0.336 4.815 4.480 -0.000 0.000 0.317 312 M C 0.584 176.884 176.300 -0.000 0.000 1.179 312 M CA -0.652 54.669 55.300 0.034 0.000 0.936 312 M CB 2.298 34.929 32.600 0.051 0.000 1.713 312 M HN -0.139 nan 8.290 nan 0.000 0.460 313 K N 1.393 121.785 120.400 -0.014 0.000 2.107 313 K HA 0.662 4.982 4.320 -0.000 0.000 0.251 313 K C -0.871 175.677 176.600 -0.086 0.000 1.012 313 K CA -0.337 55.934 56.287 -0.027 0.000 0.920 313 K CB 1.185 33.680 32.500 -0.008 0.000 1.033 313 K HN 0.543 nan 8.250 nan 0.000 0.478 314 I N 1.230 121.733 120.570 -0.112 0.000 2.689 314 I HA 0.188 4.358 4.170 -0.000 0.000 0.299 314 I C -0.515 175.552 176.117 -0.083 0.000 1.059 314 I CA -0.778 60.406 61.300 -0.194 0.000 1.055 314 I CB 2.210 39.937 38.000 -0.456 0.000 1.243 314 I HN 0.425 nan 8.210 nan 0.000 0.425 315 Q N 5.363 125.141 119.800 -0.035 0.000 2.375 315 Q HA 0.638 4.978 4.340 -0.000 0.000 0.271 315 Q C -1.264 174.823 176.000 0.144 0.000 1.074 315 Q CA -0.778 55.084 55.803 0.098 0.000 0.808 315 Q CB 3.467 32.307 28.738 0.171 0.000 1.327 315 Q HN 0.489 nan 8.270 nan 0.000 0.441 316 I N 2.213 122.921 120.570 0.229 0.000 2.410 316 I HA 0.305 4.475 4.170 -0.000 0.000 0.286 316 I C -0.612 175.734 176.117 0.383 0.000 1.009 316 I CA -0.489 60.944 61.300 0.222 0.000 1.111 316 I CB 1.163 39.282 38.000 0.198 0.000 1.262 316 I HN 0.498 nan 8.210 nan 0.000 0.443 317 H N 5.321 124.507 119.070 0.193 0.000 2.488 317 H HA 0.477 5.033 4.556 -0.000 0.000 0.322 317 H C -0.780 174.629 175.328 0.135 0.000 1.078 317 H CA -0.941 55.212 56.048 0.176 0.000 1.260 317 H CB 2.346 32.271 29.762 0.271 0.000 1.425 317 H HN 0.220 nan 8.280 nan 0.000 0.471 318 V N 3.506 123.539 119.914 0.198 0.000 2.459 318 V HA 0.351 4.471 4.120 -0.000 0.000 0.295 318 V C -0.139 176.024 176.094 0.115 0.000 1.029 318 V CA -0.444 61.941 62.300 0.142 0.000 0.874 318 V CB 1.447 33.334 31.823 0.106 0.000 0.985 318 V HN 0.957 nan 8.190 nan 0.000 0.438 319 S N 3.088 118.855 115.700 0.112 0.000 2.588 319 S HA 0.878 5.348 4.470 -0.000 0.000 0.269 319 S C -0.837 173.815 174.600 0.085 0.000 1.157 319 S CA -0.419 57.837 58.200 0.093 0.000 0.824 319 S CB 2.006 65.266 63.200 0.099 0.000 1.126 319 S HN 1.364 nan 8.310 nan 0.000 0.464 320 A N 1.185 124.050 122.820 0.076 0.000 2.267 320 A HA 0.680 5.000 4.320 -0.000 0.000 0.315 320 A C 0.797 178.418 177.584 0.062 0.000 1.297 320 A CA -0.221 51.857 52.037 0.069 0.000 0.865 320 A CB 0.519 19.561 19.000 0.070 0.000 1.165 320 A HN 1.553 nan 8.150 nan 0.000 0.513 321 S N 1.082 116.817 115.700 0.058 0.000 2.575 321 S HA 0.166 4.636 4.470 -0.000 0.000 0.215 321 S C 0.664 175.291 174.600 0.044 0.000 0.966 321 S CA 0.621 58.852 58.200 0.051 0.000 0.911 321 S CB -0.422 62.809 63.200 0.051 0.000 0.780 321 S HN 1.283 nan 8.310 nan 0.000 0.514 322 T N 0.042 114.623 114.554 0.045 0.000 2.912 322 T HA 0.579 4.929 4.350 -0.000 0.000 0.299 322 T C -3.516 171.198 174.700 0.023 0.000 1.052 322 T CA -2.118 60.006 62.100 0.040 0.000 0.996 322 T CB 1.974 70.878 68.868 0.060 0.000 1.070 322 T HN -0.059 nan 8.240 nan 0.000 0.465 323 P HA 0.239 nan 4.420 nan 0.000 0.267 323 P C -2.602 174.625 177.300 -0.123 0.000 1.205 323 P CA -1.178 61.896 63.100 -0.044 0.000 0.765 323 P CB -0.142 31.529 31.700 -0.048 0.000 0.828 324 P HA 0.116 nan 4.420 nan 0.000 0.271 324 P C -0.475 176.733 177.300 -0.154 0.000 1.220 324 P CA 0.192 63.211 63.100 -0.135 0.000 0.768 324 P CB 0.295 31.863 31.700 -0.220 0.000 0.848 325 H N 1.670 120.653 119.070 -0.144 0.000 2.505 325 H HA 0.559 5.115 4.556 -0.000 0.000 0.355 325 H C 0.115 175.488 175.328 0.074 0.000 1.179 325 H CA -0.190 55.836 56.048 -0.037 0.000 1.343 325 H CB 0.549 30.298 29.762 -0.023 0.000 1.501 325 H HN 0.308 nan 8.280 nan 0.000 0.569 326 L N 1.310 122.687 121.223 0.258 0.000 2.464 326 L HA 0.409 4.749 4.340 -0.000 0.000 0.266 326 L C -0.690 176.319 176.870 0.231 0.000 0.965 326 L CA -0.624 54.365 54.840 0.249 0.000 0.833 326 L CB 1.854 44.039 42.059 0.210 0.000 1.296 326 L HN 0.785 nan 8.230 nan 0.000 0.405 327 S N 2.091 117.937 115.700 0.244 0.000 2.566 327 S HA 0.873 5.343 4.470 -0.000 0.000 0.298 327 S C -0.879 173.783 174.600 0.102 0.000 1.083 327 S CA -0.752 57.570 58.200 0.204 0.000 0.978 327 S CB 2.199 65.557 63.200 0.264 0.000 1.073 327 S HN 0.212 nan 8.310 nan 0.000 0.491 328 V N 2.304 122.278 119.914 0.099 0.000 2.448 328 V HA 0.616 4.736 4.120 -0.000 0.000 0.295 328 V C -0.730 175.378 176.094 0.024 0.000 1.025 328 V CA -0.525 61.800 62.300 0.042 0.000 0.859 328 V CB 1.130 33.000 31.823 0.079 0.000 0.988 328 V HN 0.944 nan 8.190 nan 0.000 0.431 329 Q N 4.509 124.296 119.800 -0.021 0.000 2.528 329 Q HA 0.503 4.843 4.340 -0.000 0.000 0.289 329 Q C -2.242 173.704 176.000 -0.090 0.000 1.091 329 Q CA -1.763 54.018 55.803 -0.038 0.000 0.797 329 Q CB 1.668 30.395 28.738 -0.018 0.000 1.466 329 Q HN 0.228 nan 8.270 nan 0.000 0.436 330 P HA -0.153 nan 4.420 nan 0.000 0.221 330 P C 0.824 178.051 177.300 -0.122 0.000 1.145 330 P CA 1.306 64.312 63.100 -0.156 0.000 0.795 330 P CB 0.313 31.919 31.700 -0.158 0.000 0.775 331 T N -2.276 112.226 114.554 -0.087 0.000 2.995 331 T HA 0.275 4.625 4.350 -0.000 0.000 0.269 331 T C 0.866 175.519 174.700 -0.078 0.000 1.091 331 T CA 1.149 63.206 62.100 -0.072 0.000 1.128 331 T CB -0.505 68.333 68.868 -0.050 0.000 0.891 331 T HN 0.292 nan 8.240 nan 0.000 0.492 332 G N -0.233 108.513 108.800 -0.089 0.000 2.315 332 G HA2 0.096 4.056 3.960 -0.000 0.000 0.296 332 G HA3 0.096 4.056 3.960 -0.000 0.000 0.296 332 G C -1.666 173.174 174.900 -0.099 0.000 1.289 332 G CA -0.904 44.136 45.100 -0.099 0.000 0.996 332 G HN 0.308 nan 8.290 nan 0.000 0.487 333 L N 0.696 121.843 121.223 -0.127 0.000 2.312 333 L HA 0.648 4.988 4.340 -0.000 0.000 0.281 333 L C 0.230 177.018 176.870 -0.138 0.000 1.070 333 L CA -0.542 54.208 54.840 -0.151 0.000 0.805 333 L CB 1.696 43.595 42.059 -0.265 0.000 1.174 333 L HN 0.601 nan 8.230 nan 0.000 0.434 334 T N 2.403 116.878 114.554 -0.131 0.000 2.841 334 T HA 0.473 4.823 4.350 -0.000 0.000 0.283 334 T C -0.974 173.541 174.700 -0.308 0.000 1.000 334 T CA -0.360 61.600 62.100 -0.233 0.000 0.977 334 T CB 1.644 70.351 68.868 -0.267 0.000 0.979 334 T HN 0.213 nan 8.240 nan 0.000 0.446 335 F N 2.894 122.522 119.950 -0.536 0.000 2.469 335 F HA 0.576 5.103 4.527 -0.000 0.000 0.332 335 F C -1.417 174.051 175.800 -0.553 0.000 1.103 335 F CA -1.598 56.156 58.000 -0.409 0.000 0.979 335 F CB 1.120 39.989 39.000 -0.219 0.000 1.137 335 F HN 0.550 nan 8.300 nan 0.000 0.463 336 Y N 6.081 126.129 120.300 -0.419 0.000 2.915 336 Y HA 0.335 4.885 4.550 -0.000 0.000 0.350 336 Y C -2.315 173.322 175.900 -0.438 0.000 1.061 336 Y CA -2.714 55.209 58.100 -0.295 0.000 1.179 336 Y CB -0.179 38.172 38.460 -0.182 0.000 1.180 336 Y HN 0.335 nan 8.280 nan 0.000 0.605 337 P HA 0.284 nan 4.420 nan 0.000 0.271 337 P C -0.580 176.708 177.300 -0.019 0.000 1.216 337 P CA 0.101 63.041 63.100 -0.266 0.000 0.771 337 P CB 1.708 33.361 31.700 -0.077 0.000 0.864 338 A N 3.430 126.252 122.820 0.003 0.000 2.353 338 A HA 0.581 4.901 4.320 -0.000 0.000 0.299 338 A C -0.987 176.636 177.584 0.064 0.000 1.089 338 A CA -0.770 51.306 52.037 0.064 0.000 0.736 338 A CB 1.504 20.524 19.000 0.032 0.000 1.195 338 A HN 0.437 nan 8.150 nan 0.000 0.447 339 V N 2.297 122.262 119.914 0.086 0.000 2.823 339 V HA 0.597 4.716 4.120 -0.000 0.000 0.312 339 V C -1.498 174.653 176.094 0.095 0.000 1.072 339 V CA -0.813 61.539 62.300 0.086 0.000 0.937 339 V CB 2.139 34.014 31.823 0.088 0.000 1.013 339 V HN 0.870 nan 8.190 nan 0.000 0.430 340 D N 3.895 124.353 120.400 0.097 0.000 2.177 340 D HA 0.541 5.181 4.640 -0.000 0.000 0.247 340 D C -0.788 175.586 176.300 0.123 0.000 1.063 340 D CA 0.081 54.144 54.000 0.105 0.000 0.867 340 D CB 2.031 42.890 40.800 0.098 0.000 1.168 340 D HN 0.377 nan 8.370 nan 0.000 0.445 341 V N 2.438 122.434 119.914 0.136 0.000 2.483 341 V HA 0.301 4.421 4.120 -0.000 0.000 0.297 341 V C -0.288 175.883 176.094 0.129 0.000 1.027 341 V CA -0.722 61.671 62.300 0.155 0.000 0.855 341 V CB 1.833 33.766 31.823 0.185 0.000 0.995 341 V HN 0.413 nan 8.190 nan 0.000 0.424 342 Q N 2.855 122.679 119.800 0.041 0.000 2.337 342 Q HA 0.811 5.151 4.340 -0.000 0.000 0.270 342 Q C -0.772 174.927 176.000 -0.503 0.000 1.043 342 Q CA -0.558 55.102 55.803 -0.238 0.000 0.794 342 Q CB 2.238 30.803 28.738 -0.288 0.000 1.281 342 Q HN 0.922 nan 8.270 nan 0.000 0.446 343 A N 3.502 125.790 122.820 -0.886 0.000 2.305 343 A HA 0.790 5.110 4.320 -0.000 0.000 0.322 343 A C -1.442 175.501 177.584 -1.069 0.000 1.187 343 A CA -0.343 51.165 52.037 -0.881 0.000 0.825 343 A CB 0.420 18.661 19.000 -1.265 0.000 1.164 343 A HN 0.646 nan 8.150 nan 0.000 0.498 344 F N 0.697 120.359 119.950 -0.480 0.000 2.563 344 F HA 0.650 5.177 4.527 -0.000 0.000 0.316 344 F C 0.582 176.112 175.800 -0.450 0.000 1.076 344 F CA -0.500 57.227 58.000 -0.455 0.000 0.921 344 F CB 2.280 41.034 39.000 -0.411 0.000 1.209 344 F HN 0.700 nan 8.300 nan 0.000 0.462 345 A N 1.563 124.170 122.820 -0.356 0.000 2.310 345 A HA 0.685 5.005 4.320 -0.000 0.000 0.299 345 A C -0.834 176.630 177.584 -0.199 0.000 1.147 345 A CA -0.627 51.182 52.037 -0.380 0.000 0.818 345 A CB 0.627 19.181 19.000 -0.743 0.000 1.096 345 A HN 0.562 nan 8.150 nan 0.000 0.495 346 V N 4.519 124.365 119.914 -0.113 0.000 2.389 346 V HA 0.147 4.267 4.120 -0.000 0.000 0.264 346 V C 0.482 176.565 176.094 -0.019 0.000 1.049 346 V CA 0.058 62.322 62.300 -0.059 0.000 0.932 346 V CB 0.018 31.818 31.823 -0.037 0.000 1.011 346 V HN 0.742 nan 8.190 nan 0.000 0.475 347 L N 6.807 128.028 121.223 -0.002 0.000 2.475 347 L HA 0.241 4.581 4.340 -0.000 0.000 0.253 347 L C -0.961 175.930 176.870 0.035 0.000 1.198 347 L CA -1.393 53.475 54.840 0.047 0.000 0.814 347 L CB 0.322 42.417 42.059 0.060 0.000 1.134 347 L HN 0.384 nan 8.230 nan 0.000 0.478 348 P HA -0.154 nan 4.420 nan 0.000 0.217 348 P C 0.431 177.742 177.300 0.019 0.000 1.148 348 P CA 1.187 64.305 63.100 0.031 0.000 0.828 348 P CB -0.023 31.696 31.700 0.033 0.000 0.783 349 N N -1.619 117.091 118.700 0.018 0.000 2.276 349 N HA 0.026 4.766 4.740 -0.000 0.000 0.212 349 N C 0.331 175.841 175.510 0.000 0.000 1.127 349 N CA 0.693 53.748 53.050 0.009 0.000 0.834 349 N CB -0.720 37.773 38.487 0.010 0.000 1.014 349 N HN 0.109 nan 8.380 nan 0.000 0.491 350 S N -3.437 112.261 115.700 -0.002 0.000 2.857 350 S HA -0.258 4.212 4.470 -0.000 0.000 0.268 350 S C 0.512 175.093 174.600 -0.031 0.000 1.297 350 S CA 0.429 58.620 58.200 -0.015 0.000 1.280 350 S CB -2.439 60.752 63.200 -0.016 0.000 1.562 350 S HN 0.898 nan 8.310 nan 0.000 0.661 351 A N 1.627 124.433 122.820 -0.025 0.000 2.406 351 A HA 0.625 4.945 4.320 -0.000 0.000 0.243 351 A C 0.505 178.051 177.584 -0.064 0.000 1.082 351 A CA 0.073 52.086 52.037 -0.041 0.000 0.786 351 A CB 0.137 19.127 19.000 -0.016 0.000 1.029 351 A HN 0.872 nan 8.150 nan 0.000 0.495 352 L N 1.256 122.408 121.223 -0.118 0.000 2.272 352 L HA 0.547 4.887 4.340 -0.000 0.000 0.289 352 L C 0.475 177.337 176.870 -0.013 0.000 1.032 352 L CA -0.352 54.391 54.840 -0.160 0.000 0.810 352 L CB 1.426 43.171 42.059 -0.524 0.000 1.205 352 L HN 0.739 nan 8.230 nan 0.000 0.422 353 A N 2.596 125.421 122.820 0.007 0.000 2.249 353 A HA 0.445 4.765 4.320 -0.000 0.000 0.314 353 A C 0.138 177.708 177.584 -0.023 0.000 1.290 353 A CA -0.345 51.687 52.037 -0.008 0.000 0.893 353 A CB 1.140 20.049 19.000 -0.153 0.000 1.165 353 A HN 0.622 nan 8.150 nan 0.000 0.530 354 S N 2.163 117.901 115.700 0.063 0.000 2.533 354 S HA 0.277 4.747 4.470 -0.000 0.000 0.282 354 S C 1.008 175.445 174.600 -0.271 0.000 1.304 354 S CA -0.314 57.741 58.200 -0.242 0.000 1.063 354 S CB -0.118 62.997 63.200 -0.142 0.000 0.881 354 S HN 0.561 nan 8.310 nan 0.000 0.493 355 L N 4.061 125.006 121.223 -0.465 0.000 2.262 355 L HA 0.407 4.747 4.340 -0.000 0.000 0.197 355 L C -0.064 176.789 176.870 -0.030 0.000 1.073 355 L CA 0.102 54.781 54.840 -0.269 0.000 0.800 355 L CB -0.049 41.753 42.059 -0.428 0.000 0.987 355 L HN 0.800 nan 8.230 nan 0.000 0.470 356 F N -1.405 118.510 119.950 -0.058 0.000 2.741 356 F HA 0.663 5.190 4.527 -0.000 0.000 0.311 356 F C -1.538 174.258 175.800 -0.006 0.000 1.149 356 F CA -1.713 56.329 58.000 0.071 0.000 0.930 356 F CB 1.283 40.452 39.000 0.282 0.000 1.312 356 F HN -0.266 nan 8.300 nan 0.000 0.450 357 L N 4.053 125.487 121.223 0.352 0.000 2.406 357 L HA 0.820 5.160 4.340 -0.000 0.000 0.272 357 L C -1.073 175.949 176.870 0.254 0.000 0.980 357 L CA -0.689 54.284 54.840 0.221 0.000 0.831 357 L CB 1.567 43.700 42.059 0.124 0.000 1.253 357 L HN 0.809 nan 8.230 nan 0.000 0.406 358 I N 0.869 121.588 120.570 0.248 0.000 2.957 358 I HA 1.000 5.170 4.170 -0.000 0.000 0.310 358 I C -0.059 176.137 176.117 0.132 0.000 1.063 358 I CA -0.862 60.538 61.300 0.167 0.000 1.033 358 I CB 2.277 40.379 38.000 0.170 0.000 1.230 358 I HN 0.675 nan 8.210 nan 0.000 0.447 359 G N 3.300 112.163 108.800 0.104 0.000 2.416 359 G HA2 0.656 4.616 3.960 -0.000 0.000 0.329 359 G HA3 0.656 4.616 3.960 -0.000 0.000 0.329 359 G C -1.210 173.766 174.900 0.126 0.000 1.173 359 G CA -0.777 44.386 45.100 0.106 0.000 0.929 359 G HN 0.775 nan 8.290 nan 0.000 0.475 360 M N 2.960 122.642 119.600 0.136 0.000 2.327 360 M HA 0.493 4.973 4.480 -0.000 0.000 0.298 360 M C -1.422 174.978 176.300 0.166 0.000 1.065 360 M CA -0.817 54.555 55.300 0.120 0.000 0.916 360 M CB 1.967 34.615 32.600 0.080 0.000 1.630 360 M HN 0.889 nan 8.290 nan 0.000 0.442 361 H N 1.038 120.119 119.070 0.018 0.000 3.008 361 H HA 0.830 5.386 4.556 -0.000 0.000 0.354 361 H C -2.047 173.289 175.328 0.014 0.000 1.252 361 H CA -0.610 55.446 56.048 0.012 0.000 1.117 361 H CB 2.329 32.094 29.762 0.006 0.000 1.857 361 H HN 0.710 nan 8.280 nan 0.000 0.547 362 T N 0.038 114.600 114.554 0.013 0.000 2.658 362 T HA 0.418 4.768 4.350 -0.000 0.000 0.305 362 T C -1.255 173.479 174.700 0.057 0.000 1.551 362 T CA -0.006 62.071 62.100 -0.037 0.000 0.985 362 T CB 1.021 69.859 68.868 -0.051 0.000 1.731 362 T HN 1.012 nan 8.240 nan 0.000 0.486 363 T N -0.235 114.332 114.554 0.021 0.000 2.888 363 T HA 0.819 5.168 4.350 -0.000 0.000 0.284 363 T C 0.079 174.746 174.700 -0.055 0.000 1.017 363 T CA -0.578 61.502 62.100 -0.034 0.000 1.022 363 T CB 1.555 70.423 68.868 0.001 0.000 1.013 363 T HN 0.977 nan 8.240 nan 0.000 0.465 364 G N 0.709 109.454 108.800 -0.091 0.000 2.659 364 G HA2 0.588 4.547 3.960 -0.000 0.000 0.296 364 G HA3 0.588 4.547 3.960 -0.000 0.000 0.296 364 G C -0.656 174.205 174.900 -0.065 0.000 1.369 364 G CA -0.977 44.109 45.100 -0.024 0.000 0.937 364 G HN 1.024 nan 8.290 nan 0.000 0.485 365 S N -0.330 115.331 115.700 -0.064 0.000 2.554 365 S HA 0.656 5.126 4.470 -0.000 0.000 0.278 365 S C -0.172 174.367 174.600 -0.102 0.000 1.242 365 S CA -0.632 57.517 58.200 -0.085 0.000 1.051 365 S CB 1.787 64.946 63.200 -0.069 0.000 0.986 365 S HN 0.604 nan 8.310 nan 0.000 0.502 366 M N 2.527 122.047 119.600 -0.133 0.000 2.023 366 M HA 0.396 4.876 4.480 -0.000 0.000 0.325 366 M C -1.026 175.193 176.300 -0.135 0.000 0.963 366 M CA -0.233 54.962 55.300 -0.175 0.000 0.928 366 M CB 0.834 33.276 32.600 -0.263 0.000 1.429 366 M HN 0.773 nan 8.290 nan 0.000 0.404 367 E N 2.926 123.071 120.200 -0.091 0.000 2.259 367 E HA 0.431 4.781 4.350 -0.000 0.000 0.281 367 E C -1.039 175.553 176.600 -0.013 0.000 1.037 367 E CA -0.449 55.925 56.400 -0.044 0.000 0.854 367 E CB 1.319 31.004 29.700 -0.025 0.000 1.051 367 E HN 0.454 nan 8.360 nan 0.000 0.409 368 V N 2.763 122.705 119.914 0.046 0.000 2.459 368 V HA 0.414 4.534 4.120 -0.000 0.000 0.295 368 V C 0.007 176.243 176.094 0.236 0.000 1.029 368 V CA -0.357 62.028 62.300 0.141 0.000 0.874 368 V CB 1.716 33.671 31.823 0.220 0.000 0.985 368 V HN 0.681 nan 8.190 nan 0.000 0.438 369 S N 3.376 119.160 115.700 0.140 0.000 2.811 369 S HA 0.949 5.419 4.470 -0.000 0.000 0.311 369 S C -0.700 173.863 174.600 -0.062 0.000 1.152 369 S CA 0.037 58.285 58.200 0.080 0.000 0.864 369 S CB 2.058 65.297 63.200 0.064 0.000 1.226 369 S HN 1.239 nan 8.310 nan 0.000 0.541 370 A N 0.951 123.719 122.820 -0.086 0.000 2.355 370 A HA 0.864 5.184 4.320 -0.000 0.000 0.324 370 A C -0.961 176.603 177.584 -0.032 0.000 1.117 370 A CA -0.375 51.591 52.037 -0.118 0.000 0.785 370 A CB 1.384 20.277 19.000 -0.179 0.000 1.254 370 A HN 0.680 nan 8.150 nan 0.000 0.453 371 E N 0.879 121.069 120.200 -0.016 0.000 2.539 371 E HA 0.264 4.614 4.350 -0.000 0.000 0.332 371 E C -0.987 175.621 176.600 0.012 0.000 0.910 371 E CA -0.038 56.366 56.400 0.007 0.000 0.785 371 E CB 1.373 31.084 29.700 0.018 0.000 1.406 371 E HN 0.904 nan 8.360 nan 0.000 0.391 372 S N 3.002 118.708 115.700 0.011 0.000 3.628 372 S HA -0.248 4.222 4.470 -0.000 0.000 0.373 372 S C 0.449 175.059 174.600 0.016 0.000 0.968 372 S CA 1.139 59.348 58.200 0.014 0.000 1.215 372 S CB -1.465 61.743 63.200 0.014 0.000 0.912 372 S HN 0.885 nan 8.310 nan 0.000 0.495 373 N N -0.762 117.943 118.700 0.009 0.000 2.776 373 N HA -0.274 4.466 4.740 -0.000 0.000 0.250 373 N C -0.060 175.465 175.510 0.025 0.000 1.112 373 N CA 1.329 54.383 53.050 0.008 0.000 0.733 373 N CB -0.543 37.953 38.487 0.014 0.000 1.097 373 N HN 0.922 nan 8.380 nan 0.000 0.558 374 R N -0.428 120.092 120.500 0.033 0.000 2.799 374 R HA 0.660 5.000 4.340 -0.000 0.000 0.270 374 R C -1.478 174.870 176.300 0.080 0.000 1.010 374 R CA -0.927 55.227 56.100 0.089 0.000 0.916 374 R CB 1.293 31.656 30.300 0.105 0.000 1.228 374 R HN -0.007 nan 8.270 nan 0.000 0.469 375 L N 1.997 123.324 121.223 0.175 0.000 2.295 375 L HA 0.518 4.858 4.340 -0.000 0.000 0.285 375 L C -0.679 176.335 176.870 0.240 0.000 1.035 375 L CA -0.466 54.466 54.840 0.153 0.000 0.806 375 L CB 1.820 44.027 42.059 0.248 0.000 1.214 375 L HN 0.614 nan 8.230 nan 0.000 0.426 376 V N 1.661 121.668 119.914 0.155 0.000 2.914 376 V HA 1.077 5.197 4.120 -0.000 0.000 0.314 376 V C -0.126 176.037 176.094 0.116 0.000 1.084 376 V CA -0.127 62.272 62.300 0.166 0.000 0.963 376 V CB 1.289 33.172 31.823 0.100 0.000 1.025 376 V HN 0.891 nan 8.190 nan 0.000 0.432 377 G N 1.103 109.960 108.800 0.094 0.000 2.605 377 G HA2 0.710 4.669 3.960 -0.000 0.000 0.296 377 G HA3 0.710 4.669 3.960 -0.000 0.000 0.296 377 G C -1.611 173.278 174.900 -0.018 0.000 1.304 377 G CA -0.639 44.470 45.100 0.015 0.000 0.941 377 G HN 1.117 nan 8.290 nan 0.000 0.475 378 E N 0.163 120.330 120.200 -0.055 0.000 2.274 378 E HA 0.431 4.781 4.350 -0.000 0.000 0.269 378 E C -1.516 175.025 176.600 -0.098 0.000 0.891 378 E CA -0.619 55.744 56.400 -0.062 0.000 0.784 378 E CB 1.586 31.265 29.700 -0.035 0.000 1.225 378 E HN 0.404 nan 8.360 nan 0.000 0.412 379 L N 3.985 125.137 121.223 -0.119 0.000 2.295 379 L HA 0.600 4.940 4.340 -0.000 0.000 0.285 379 L C -1.145 175.680 176.870 -0.075 0.000 1.035 379 L CA -0.739 54.020 54.840 -0.134 0.000 0.806 379 L CB 0.858 42.802 42.059 -0.191 0.000 1.214 379 L HN 0.511 nan 8.230 nan 0.000 0.426 380 K N 5.060 125.426 120.400 -0.057 0.000 2.378 380 K HA 0.632 4.952 4.320 -0.000 0.000 0.252 380 K C -1.173 175.413 176.600 -0.024 0.000 0.931 380 K CA -0.293 55.972 56.287 -0.037 0.000 0.794 380 K CB 2.393 34.871 32.500 -0.037 0.000 1.181 380 K HN 0.449 nan 8.250 nan 0.000 0.425 381 L N 1.803 123.016 121.223 -0.016 0.000 2.331 381 L HA 0.497 4.837 4.340 -0.000 0.000 0.275 381 L C 0.052 176.911 176.870 -0.018 0.000 1.022 381 L CA -1.004 53.831 54.840 -0.008 0.000 0.812 381 L CB 1.342 43.401 42.059 -0.000 0.000 1.257 381 L HN 0.550 nan 8.230 nan 0.000 0.435 382 D N 0.456 120.844 120.400 -0.020 0.000 2.469 382 D HA 0.214 4.854 4.640 -0.000 0.000 0.278 382 D C 0.128 176.408 176.300 -0.033 0.000 1.231 382 D CA -0.553 53.432 54.000 -0.025 0.000 1.075 382 D CB 0.488 41.273 40.800 -0.024 0.000 1.121 382 D HN 0.307 nan 8.370 nan 0.000 0.571 383 R N 0.149 120.625 120.500 -0.039 0.000 2.623 383 R HA 0.118 4.457 4.340 -0.000 0.000 0.271 383 R C -0.354 175.901 176.300 -0.075 0.000 1.043 383 R CA -0.122 55.949 56.100 -0.049 0.000 1.083 383 R CB 0.083 30.355 30.300 -0.046 0.000 0.974 383 R HN 0.274 nan 8.270 nan 0.000 0.436 384 L N 6.381 127.561 121.223 -0.071 0.000 2.281 384 L HA 0.249 4.588 4.340 -0.000 0.000 0.285 384 L C -0.290 176.506 176.870 -0.122 0.000 1.074 384 L CA -0.290 54.496 54.840 -0.090 0.000 0.817 384 L CB 0.643 42.670 42.059 -0.052 0.000 1.168 384 L HN 0.456 nan 8.230 nan 0.000 0.434 385 L N 5.575 126.663 121.223 -0.225 0.000 2.272 385 L HA 0.516 4.856 4.340 -0.000 0.000 0.289 385 L C -0.262 176.532 176.870 -0.126 0.000 1.032 385 L CA -0.342 54.355 54.840 -0.239 0.000 0.810 385 L CB 1.182 42.955 42.059 -0.478 0.000 1.205 385 L HN 0.477 nan 8.230 nan 0.000 0.422 386 L N 3.226 124.425 121.223 -0.039 0.000 2.331 386 L HA 0.632 4.972 4.340 -0.000 0.000 0.275 386 L C -0.276 176.612 176.870 0.029 0.000 1.022 386 L CA -0.548 54.301 54.840 0.015 0.000 0.812 386 L CB 2.023 44.088 42.059 0.009 0.000 1.257 386 L HN 0.600 nan 8.230 nan 0.000 0.435 387 E N 1.962 122.188 120.200 0.044 0.000 2.290 387 E HA 0.312 4.662 4.350 -0.000 0.000 0.274 387 E C -1.779 174.819 176.600 -0.003 0.000 0.889 387 E CA -0.904 55.508 56.400 0.021 0.000 0.760 387 E CB 2.756 32.484 29.700 0.047 0.000 1.206 387 E HN 0.381 nan 8.360 nan 0.000 0.419 388 L N 4.730 125.913 121.223 -0.066 0.000 2.319 388 L HA 0.260 4.600 4.340 -0.000 0.000 0.280 388 L C 0.579 177.420 176.870 -0.047 0.000 1.099 388 L CA 0.305 55.081 54.840 -0.107 0.000 0.828 388 L CB 0.685 42.563 42.059 -0.301 0.000 1.150 388 L HN 0.525 nan 8.230 nan 0.000 0.442 389 K N 2.759 123.172 120.400 0.022 0.000 2.214 389 K HA 0.162 4.482 4.320 -0.000 0.000 0.201 389 K C -0.076 176.594 176.600 0.117 0.000 1.049 389 K CA 0.557 56.882 56.287 0.063 0.000 0.978 389 K CB 0.012 32.566 32.500 0.091 0.000 0.842 389 K HN 0.764 nan 8.250 nan 0.000 0.474 390 H N -1.101 117.982 119.070 0.022 0.000 3.064 390 H HA 0.379 4.935 4.556 -0.000 0.000 0.352 390 H C -1.741 173.643 175.328 0.093 0.000 1.260 390 H CA -0.543 55.526 56.048 0.036 0.000 1.160 390 H CB 1.882 31.668 29.762 0.039 0.000 1.879 390 H HN -0.049 nan 8.280 nan 0.000 0.544 391 S N 2.269 117.705 115.700 -0.439 0.000 2.548 391 S HA 0.334 4.804 4.470 -0.000 0.000 0.276 391 S C -0.747 173.791 174.600 -0.104 0.000 1.129 391 S CA -0.760 57.417 58.200 -0.038 0.000 0.931 391 S CB 0.918 64.162 63.200 0.074 0.000 1.068 391 S HN 0.729 nan 8.310 nan 0.000 0.480 392 N N 2.837 121.613 118.700 0.127 0.000 2.204 392 N HA 0.262 5.002 4.740 -0.000 0.000 0.219 392 N C 0.655 176.269 175.510 0.174 0.000 1.151 392 N CA 0.240 53.377 53.050 0.145 0.000 0.867 392 N CB 0.302 38.907 38.487 0.197 0.000 1.043 392 N HN 0.804 nan 8.380 nan 0.000 0.516 393 I N -3.616 117.072 120.570 0.197 0.000 3.833 393 I HA 0.491 4.661 4.170 -0.000 0.000 0.328 393 I C 0.493 176.707 176.117 0.161 0.000 1.554 393 I CA -0.578 60.832 61.300 0.183 0.000 1.116 393 I CB 0.269 38.382 38.000 0.189 0.000 1.182 393 I HN -0.102 nan 8.210 nan 0.000 0.459 394 G N 2.015 110.896 108.800 0.134 0.000 2.756 394 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.678 394 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.678 394 G C -3.115 171.876 174.900 0.151 0.000 1.349 394 G CA -0.948 44.217 45.100 0.108 0.000 0.847 394 G HN 0.246 nan 8.290 nan 0.000 0.548 395 P HA 0.683 nan 4.420 nan 0.000 0.274 395 P C -0.327 177.058 177.300 0.142 0.000 1.231 395 P CA 0.041 63.144 63.100 0.005 0.000 0.790 395 P CB 0.366 32.051 31.700 -0.025 0.000 0.951 396 F N -1.086 118.835 119.950 -0.048 0.000 2.725 396 F HA 0.601 5.128 4.527 -0.000 0.000 0.309 396 F C -3.251 172.514 175.800 -0.059 0.000 1.132 396 F CA -2.721 55.247 58.000 -0.052 0.000 0.957 396 F CB -0.247 38.713 39.000 -0.066 0.000 1.286 396 F HN 0.069 nan 8.300 nan 0.000 0.440 397 P HA 0.261 nan 4.420 nan 0.000 0.282 397 P C 0.598 177.940 177.300 0.070 0.000 1.262 397 P CA -0.409 62.698 63.100 0.012 0.000 0.773 397 P CB 1.752 33.482 31.700 0.050 0.000 0.879 398 V N 2.868 122.731 119.914 -0.086 0.000 2.688 398 V HA -0.256 3.864 4.120 -0.000 0.000 0.256 398 V C 1.571 177.692 176.094 0.046 0.000 1.084 398 V CA 1.948 64.232 62.300 -0.027 0.000 1.103 398 V CB -0.732 31.034 31.823 -0.095 0.000 0.688 398 V HN 0.502 nan 8.190 nan 0.000 0.480 399 E N 0.046 120.265 120.200 0.031 0.000 2.267 399 E HA -0.167 4.183 4.350 -0.000 0.000 0.197 399 E C 1.905 178.516 176.600 0.019 0.000 0.998 399 E CA 1.006 57.415 56.400 0.016 0.000 0.830 399 E CB -0.374 29.331 29.700 0.007 0.000 0.751 399 E HN 0.604 nan 8.360 nan 0.000 0.491 400 L N -0.274 120.993 121.223 0.073 0.000 2.265 400 L HA -0.108 4.232 4.340 -0.000 0.000 0.215 400 L C 1.649 178.500 176.870 -0.031 0.000 1.117 400 L CA 0.681 55.553 54.840 0.053 0.000 0.782 400 L CB -0.212 41.947 42.059 0.168 0.000 0.914 400 L HN 0.184 nan 8.230 nan 0.000 0.441 401 L N -1.099 120.128 121.223 0.007 0.000 2.592 401 L HA -0.013 4.327 4.340 -0.000 0.000 0.227 401 L C 2.266 179.088 176.870 -0.080 0.000 1.127 401 L CA -0.145 54.674 54.840 -0.036 0.000 0.884 401 L CB -0.075 41.996 42.059 0.020 0.000 1.065 401 L HN 0.186 nan 8.230 nan 0.000 0.457 402 Q N 0.883 120.640 119.800 -0.072 0.000 2.061 402 Q HA -0.241 4.099 4.340 -0.000 0.000 0.204 402 Q C 1.614 177.540 176.000 -0.123 0.000 0.984 402 Q CA 2.071 57.830 55.803 -0.074 0.000 0.846 402 Q CB 0.049 28.758 28.738 -0.049 0.000 0.902 402 Q HN 0.374 nan 8.270 nan 0.000 0.421 403 D N -0.211 120.095 120.400 -0.157 0.000 2.117 403 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 403 D C 1.874 177.809 176.300 -0.609 0.000 0.987 403 D CA 1.222 55.102 54.000 -0.201 0.000 0.829 403 D CB -0.279 40.536 40.800 0.025 0.000 0.961 403 D HN 0.395 nan 8.370 nan 0.000 0.460 404 I N 0.169 120.296 120.570 -0.738 0.000 2.315 404 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 404 I C 1.892 177.795 176.117 -0.357 0.000 1.117 404 I CA 0.873 61.626 61.300 -0.913 0.000 1.404 404 I CB 0.124 37.852 38.000 -0.453 0.000 1.071 404 I HN -0.140 nan 8.210 nan 0.000 0.419 405 M N 0.262 119.752 119.600 -0.184 0.000 2.200 405 M HA -0.115 4.365 4.480 -0.000 0.000 0.265 405 M C 1.825 178.081 176.300 -0.073 0.000 1.066 405 M CA 1.296 56.556 55.300 -0.066 0.000 1.127 405 M CB -1.748 30.843 32.600 -0.015 0.000 1.379 405 M HN 0.254 nan 8.290 nan 0.000 0.420 406 N N -0.368 118.275 118.700 -0.096 0.000 2.381 406 N HA -0.154 4.586 4.740 -0.000 0.000 0.182 406 N C 1.515 177.012 175.510 -0.021 0.000 1.025 406 N CA 0.885 53.904 53.050 -0.051 0.000 0.888 406 N CB -0.271 38.196 38.487 -0.034 0.000 0.965 406 N HN 0.429 nan 8.380 nan 0.000 0.438 407 Y N 0.801 120.993 120.300 -0.180 0.000 2.222 407 Y HA 0.206 4.756 4.550 -0.000 0.000 0.290 407 Y C 2.117 177.976 175.900 -0.068 0.000 1.123 407 Y CA 0.657 58.688 58.100 -0.115 0.000 1.120 407 Y CB -0.467 37.888 38.460 -0.176 0.000 1.060 407 Y HN -0.147 nan 8.280 nan 0.000 0.508 408 I N -0.539 119.985 120.570 -0.077 0.000 2.185 408 I HA -0.377 3.793 4.170 -0.000 0.000 0.246 408 I C 2.200 178.249 176.117 -0.114 0.000 1.088 408 I CA 1.545 62.797 61.300 -0.080 0.000 1.347 408 I CB -0.501 37.527 38.000 0.046 0.000 1.041 408 I HN 0.156 nan 8.210 nan 0.000 0.415 409 V N 1.664 121.528 119.914 -0.083 0.000 2.237 409 V HA -0.158 3.962 4.120 -0.000 0.000 0.245 409 V C -0.313 175.729 176.094 -0.088 0.000 1.046 409 V CA 2.364 64.629 62.300 -0.060 0.000 1.007 409 V CB -1.958 29.846 31.823 -0.031 0.000 0.638 409 V HN 0.361 nan 8.190 nan 0.000 0.445 410 P HA -0.064 nan 4.420 nan 0.000 0.222 410 P C 1.711 178.920 177.300 -0.152 0.000 1.153 410 P CA 1.320 64.355 63.100 -0.109 0.000 0.798 410 P CB 0.083 31.729 31.700 -0.090 0.000 0.796 411 I N -0.957 119.454 120.570 -0.265 0.000 2.400 411 I HA -0.022 4.148 4.170 -0.000 0.000 0.248 411 I C 2.401 178.408 176.117 -0.184 0.000 1.109 411 I CA 1.149 62.270 61.300 -0.297 0.000 1.425 411 I CB -0.808 36.805 38.000 -0.646 0.000 1.094 411 I HN -0.043 nan 8.210 nan 0.000 0.425 412 L N -1.109 120.019 121.223 -0.159 0.000 2.577 412 L HA 0.105 4.445 4.340 -0.000 0.000 0.225 412 L C 2.217 179.061 176.870 -0.043 0.000 1.053 412 L CA 0.211 55.006 54.840 -0.075 0.000 0.866 412 L CB 0.157 42.192 42.059 -0.040 0.000 1.132 412 L HN -0.108 nan 8.230 nan 0.000 0.486 413 V N -0.294 119.596 119.914 -0.040 0.000 2.341 413 V HA -0.135 3.984 4.120 -0.000 0.000 0.240 413 V C 2.201 178.285 176.094 -0.017 0.000 1.035 413 V CA 0.893 63.184 62.300 -0.014 0.000 1.033 413 V CB -0.257 31.570 31.823 0.007 0.000 0.678 413 V HN 0.218 nan 8.190 nan 0.000 0.464 414 L N 1.345 122.552 121.223 -0.026 0.000 2.043 414 L HA -0.102 4.238 4.340 -0.000 0.000 0.212 414 L C -0.230 176.619 176.870 -0.036 0.000 1.075 414 L CA 2.549 57.374 54.840 -0.026 0.000 0.752 414 L CB -1.648 40.392 42.059 -0.032 0.000 0.891 414 L HN 0.247 nan 8.230 nan 0.000 0.432 415 P HA -0.147 nan 4.420 nan 0.000 0.216 415 P C 1.320 178.597 177.300 -0.037 0.000 1.150 415 P CA 1.270 64.347 63.100 -0.040 0.000 0.837 415 P CB -0.114 31.562 31.700 -0.041 0.000 0.786 416 R N -0.598 119.882 120.500 -0.033 0.000 2.096 416 R HA -0.042 4.298 4.340 -0.000 0.000 0.235 416 R C 2.170 178.444 176.300 -0.044 0.000 1.127 416 R CA 0.921 57.001 56.100 -0.033 0.000 0.968 416 R CB -1.766 28.519 30.300 -0.025 0.000 0.861 416 R HN 0.191 nan 8.270 nan 0.000 0.440 417 V N 2.221 122.110 119.914 -0.043 0.000 2.270 417 V HA -0.212 3.908 4.120 -0.000 0.000 0.245 417 V C 1.930 177.981 176.094 -0.072 0.000 1.043 417 V CA 1.710 63.974 62.300 -0.060 0.000 1.014 417 V CB -0.452 31.342 31.823 -0.047 0.000 0.645 417 V HN 0.286 nan 8.190 nan 0.000 0.447 418 N N -0.177 118.486 118.700 -0.061 0.000 2.309 418 N HA -0.148 4.592 4.740 -0.000 0.000 0.182 418 N C 1.788 177.272 175.510 -0.042 0.000 1.018 418 N CA 1.109 54.125 53.050 -0.055 0.000 0.876 418 N CB -0.156 38.302 38.487 -0.049 0.000 0.972 418 N HN 0.600 nan 8.380 nan 0.000 0.434 419 E N 0.437 120.612 120.200 -0.043 0.000 2.077 419 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 419 E C 1.754 178.324 176.600 -0.049 0.000 0.989 419 E CA 1.034 57.410 56.400 -0.039 0.000 0.800 419 E CB 0.062 29.739 29.700 -0.039 0.000 0.746 419 E HN 0.119 nan 8.360 nan 0.000 0.452 420 K N 1.042 121.402 120.400 -0.068 0.000 2.103 420 K HA -0.066 4.254 4.320 -0.000 0.000 0.204 420 K C 1.842 178.407 176.600 -0.058 0.000 1.052 420 K CA 0.847 57.074 56.287 -0.100 0.000 0.945 420 K CB -0.129 32.281 32.500 -0.149 0.000 0.722 420 K HN 0.049 nan 8.250 nan 0.000 0.443 421 L N 0.495 121.715 121.223 -0.006 0.000 2.141 421 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 421 L C 2.412 179.343 176.870 0.102 0.000 1.094 421 L CA 0.935 55.832 54.840 0.096 0.000 0.763 421 L CB -0.371 41.685 42.059 -0.004 0.000 0.908 421 L HN 0.251 nan 8.230 nan 0.000 0.437 422 Q N 0.074 119.893 119.800 0.031 0.000 2.230 422 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 422 Q C 2.119 178.134 176.000 0.026 0.000 0.963 422 Q CA 1.024 56.845 55.803 0.030 0.000 0.866 422 Q CB -0.036 28.705 28.738 0.004 0.000 0.931 422 Q HN 0.464 nan 8.270 nan 0.000 0.452 423 K N 0.112 120.506 120.400 -0.009 0.000 2.148 423 K HA -0.082 4.238 4.320 -0.000 0.000 0.204 423 K C 0.713 177.296 176.600 -0.028 0.000 1.050 423 K CA 1.079 57.342 56.287 -0.039 0.000 0.942 423 K CB -0.026 32.420 32.500 -0.090 0.000 0.724 423 K HN 0.220 nan 8.250 nan 0.000 0.446 424 G N -0.351 108.455 108.800 0.011 0.000 2.693 424 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.226 424 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.226 424 G C -0.746 174.116 174.900 -0.064 0.000 1.354 424 G CA -0.174 45.049 45.100 0.205 0.000 0.873 424 G HN 0.183 nan 8.290 nan 0.000 0.562 425 F N 0.011 120.051 119.950 0.150 0.000 2.569 425 F HA 0.612 5.139 4.527 -0.000 0.000 0.312 425 F C -2.159 173.746 175.800 0.175 0.000 1.109 425 F CA -2.333 55.783 58.000 0.193 0.000 0.919 425 F CB 2.102 41.297 39.000 0.326 0.000 1.211 425 F HN 0.321 nan 8.300 nan 0.000 0.446 426 P HA 0.138 nan 4.420 nan 0.000 0.271 426 P C -0.575 176.905 177.300 0.300 0.000 1.216 426 P CA -0.107 63.126 63.100 0.222 0.000 0.771 426 P CB 0.655 32.457 31.700 0.171 0.000 0.864 427 L N 5.333 126.639 121.223 0.138 0.000 2.416 427 L HA 0.427 4.767 4.340 -0.000 0.000 0.262 427 L C -1.830 174.896 176.870 -0.240 0.000 1.093 427 L CA -2.379 52.451 54.840 -0.017 0.000 0.801 427 L CB 0.022 42.053 42.059 -0.048 0.000 1.191 427 L HN 0.316 nan 8.230 nan 0.000 0.459 428 P HA 0.130 nan 4.420 nan 0.000 0.225 428 P C -0.857 176.287 177.300 -0.261 0.000 1.813 428 P CA -0.315 62.418 63.100 -0.611 0.000 1.013 428 P CB -0.625 30.453 31.700 -1.036 0.000 1.961 429 T N 0.453 114.921 114.554 -0.143 0.000 2.875 429 T HA 0.519 4.869 4.350 -0.000 0.000 0.284 429 T C -2.190 172.474 174.700 -0.060 0.000 0.995 429 T CA -2.291 59.770 62.100 -0.066 0.000 1.060 429 T CB 1.127 69.983 68.868 -0.020 0.000 0.967 429 T HN 0.087 nan 8.240 nan 0.000 0.476 430 P HA 0.392 nan 4.420 nan 0.000 0.279 430 P C -0.224 177.028 177.300 -0.079 0.000 1.282 430 P CA -0.644 62.355 63.100 -0.168 0.000 0.788 430 P CB 0.306 31.802 31.700 -0.340 0.000 1.139 431 A N 0.387 123.126 122.820 -0.135 0.000 2.520 431 A HA 0.055 4.375 4.320 -0.000 0.000 0.235 431 A C 0.678 178.405 177.584 0.239 0.000 1.065 431 A CA 0.071 52.141 52.037 0.055 0.000 0.764 431 A CB -0.946 18.095 19.000 0.068 0.000 1.002 431 A HN 0.612 nan 8.150 nan 0.000 0.502 432 R N -1.200 119.378 120.500 0.129 0.000 3.741 432 R HA -0.158 4.182 4.340 -0.000 0.000 0.292 432 R C -0.611 175.773 176.300 0.140 0.000 1.176 432 R CA 0.846 56.987 56.100 0.068 0.000 0.794 432 R CB -2.491 27.759 30.300 -0.083 0.000 1.213 432 R HN 0.377 nan 8.270 nan 0.000 0.494 433 V N 0.899 120.922 119.914 0.181 0.000 2.495 433 V HA 0.305 4.425 4.120 -0.000 0.000 0.298 433 V C 0.142 176.308 176.094 0.119 0.000 1.031 433 V CA -0.438 61.986 62.300 0.207 0.000 0.871 433 V CB 1.933 33.896 31.823 0.234 0.000 0.988 433 V HN 0.157 nan 8.190 nan 0.000 0.432 434 Q N 4.248 124.120 119.800 0.119 0.000 2.394 434 Q HA 0.646 4.986 4.340 -0.000 0.000 0.273 434 Q C -1.432 174.640 176.000 0.120 0.000 1.089 434 Q CA -0.799 55.057 55.803 0.088 0.000 0.812 434 Q CB 3.063 31.837 28.738 0.061 0.000 1.353 434 Q HN 0.569 nan 8.270 nan 0.000 0.438 435 L N 2.643 123.917 121.223 0.085 0.000 2.334 435 L HA 0.568 4.908 4.340 -0.000 0.000 0.277 435 L C -0.608 176.351 176.870 0.148 0.000 1.075 435 L CA -0.719 54.164 54.840 0.071 0.000 0.804 435 L CB 0.175 42.227 42.059 -0.011 0.000 1.174 435 L HN 0.653 nan 8.230 nan 0.000 0.438 436 Y N -0.136 120.136 120.300 -0.047 0.000 2.728 436 Y HA 0.306 4.856 4.550 -0.000 0.000 0.330 436 Y C 0.205 176.085 175.900 -0.034 0.000 1.234 436 Y CA -1.915 56.162 58.100 -0.037 0.000 1.070 436 Y CB 0.942 39.380 38.460 -0.036 0.000 1.300 436 Y HN 0.728 nan 8.280 nan 0.000 0.467 437 N N 0.190 118.882 118.700 -0.013 0.000 2.727 437 N HA -0.188 4.552 4.740 -0.000 0.000 0.249 437 N C -0.751 174.704 175.510 -0.091 0.000 1.048 437 N CA 0.366 53.361 53.050 -0.091 0.000 0.714 437 N CB -0.462 37.852 38.487 -0.288 0.000 0.959 437 N HN 0.890 nan 8.380 nan 0.000 0.544 438 V N -1.396 118.508 119.914 -0.017 0.000 2.614 438 V HA 0.653 4.773 4.120 -0.000 0.000 0.291 438 V C 0.599 176.750 176.094 0.094 0.000 1.049 438 V CA -0.250 62.070 62.300 0.035 0.000 1.038 438 V CB 1.603 33.458 31.823 0.053 0.000 0.980 438 V HN 0.120 nan 8.190 nan 0.000 0.481 439 V N 6.079 126.071 119.914 0.129 0.000 2.914 439 V HA 0.831 4.951 4.120 -0.000 0.000 0.314 439 V C -0.928 175.244 176.094 0.129 0.000 1.084 439 V CA -0.789 61.577 62.300 0.111 0.000 0.963 439 V CB 2.006 33.866 31.823 0.062 0.000 1.025 439 V HN 1.210 nan 8.190 nan 0.000 0.432 440 L N 5.446 126.671 121.223 0.002 0.000 2.385 440 L HA 0.733 5.073 4.340 -0.000 0.000 0.273 440 L C -0.855 175.893 176.870 -0.203 0.000 0.990 440 L CA 0.045 54.717 54.840 -0.280 0.000 0.821 440 L CB 2.081 43.905 42.059 -0.391 0.000 1.279 440 L HN 0.837 nan 8.230 nan 0.000 0.412 441 Q N 4.033 123.693 119.800 -0.232 0.000 2.290 441 Q HA 0.642 4.982 4.340 -0.000 0.000 0.269 441 Q C -2.850 173.061 176.000 -0.148 0.000 1.016 441 Q CA -1.959 53.764 55.803 -0.133 0.000 0.754 441 Q CB 1.850 30.574 28.738 -0.024 0.000 1.247 441 Q HN 0.377 nan 8.270 nan 0.000 0.451 442 P HA 0.204 nan 4.420 nan 0.000 0.278 442 P C -0.916 176.242 177.300 -0.236 0.000 1.238 442 P CA -0.065 62.917 63.100 -0.197 0.000 0.794 442 P CB 0.792 32.389 31.700 -0.173 0.000 0.955 443 H N 0.281 119.026 119.070 -0.541 0.000 2.812 443 H HA 0.291 4.847 4.556 -0.000 0.000 0.355 443 H C -0.298 174.764 175.328 -0.442 0.000 1.207 443 H CA -0.837 54.835 56.048 -0.627 0.000 1.217 443 H CB 1.552 30.536 29.762 -1.296 0.000 1.874 443 H HN 0.282 nan 8.280 nan 0.000 0.581 444 Q N 0.924 120.635 119.800 -0.148 0.000 2.271 444 Q HA 0.018 4.358 4.340 -0.000 0.000 0.273 444 Q C -0.222 175.846 176.000 0.114 0.000 1.051 444 Q CA 0.699 56.497 55.803 -0.008 0.000 0.901 444 Q CB -0.385 28.381 28.738 0.045 0.000 1.174 444 Q HN 0.749 nan 8.270 nan 0.000 0.385 445 N N 1.918 120.706 118.700 0.146 0.000 2.965 445 N HA -0.237 4.503 4.740 -0.000 0.000 0.232 445 N C -1.061 174.712 175.510 0.438 0.000 0.913 445 N CA 0.857 54.074 53.050 0.278 0.000 0.981 445 N CB -1.296 37.373 38.487 0.303 0.000 1.077 445 N HN 0.546 nan 8.380 nan 0.000 0.589 446 F N -2.505 117.530 119.950 0.143 0.000 2.703 446 F HA 0.669 5.196 4.527 -0.000 0.000 0.308 446 F C -1.692 174.162 175.800 0.089 0.000 1.126 446 F CA -1.279 56.806 58.000 0.143 0.000 0.959 446 F CB 0.678 39.724 39.000 0.076 0.000 1.297 446 F HN -0.243 nan 8.300 nan 0.000 0.441 447 L N 3.190 124.562 121.223 0.248 0.000 2.289 447 L HA 0.638 4.978 4.340 -0.000 0.000 0.285 447 L C -0.942 175.931 176.870 0.006 0.000 1.049 447 L CA -0.696 54.148 54.840 0.007 0.000 0.804 447 L CB 1.359 43.486 42.059 0.113 0.000 1.195 447 L HN 0.747 nan 8.230 nan 0.000 0.428 448 L N 4.754 125.840 121.223 -0.229 0.000 2.298 448 L HA 0.546 4.886 4.340 -0.000 0.000 0.284 448 L C -1.295 175.420 176.870 -0.257 0.000 1.013 448 L CA 0.126 54.845 54.840 -0.200 0.000 0.824 448 L CB 0.727 42.569 42.059 -0.362 0.000 1.221 448 L HN 0.295 nan 8.230 nan 0.000 0.418 449 F N 3.356 123.327 119.950 0.035 0.000 2.411 449 F HA 0.704 5.231 4.527 -0.000 0.000 0.352 449 F C 0.906 176.707 175.800 0.001 0.000 1.123 449 F CA -0.494 57.523 58.000 0.028 0.000 1.044 449 F CB 1.903 40.918 39.000 0.024 0.000 1.135 449 F HN 0.573 nan 8.300 nan 0.000 0.461 450 G N 1.721 110.614 108.800 0.155 0.000 2.388 450 G HA2 0.774 4.734 3.960 -0.000 0.000 0.330 450 G HA3 0.774 4.734 3.960 -0.000 0.000 0.330 450 G C -1.465 173.342 174.900 -0.154 0.000 1.142 450 G CA -0.573 44.435 45.100 -0.153 0.000 0.908 450 G HN 0.934 nan 8.290 nan 0.000 0.473 451 A N 1.863 124.495 122.820 -0.313 0.000 2.608 451 A HA 0.683 5.003 4.320 -0.000 0.000 0.292 451 A C -1.486 175.889 177.584 -0.349 0.000 1.066 451 A CA -0.771 51.108 52.037 -0.264 0.000 0.676 451 A CB 1.495 20.392 19.000 -0.171 0.000 1.277 451 A HN 0.528 nan 8.150 nan 0.000 0.413 452 D N -0.099 119.997 120.400 -0.507 0.000 2.326 452 D HA 0.541 5.181 4.640 -0.000 0.000 0.251 452 D C -0.690 175.328 176.300 -0.471 0.000 1.023 452 D CA -0.072 53.559 54.000 -0.616 0.000 0.966 452 D CB 2.119 42.322 40.800 -0.996 0.000 1.156 452 D HN 0.621 nan 8.370 nan 0.000 0.494 453 V N 0.456 120.211 119.914 -0.264 0.000 2.823 453 V HA 0.534 4.654 4.120 -0.000 0.000 0.312 453 V C -1.204 174.908 176.094 0.031 0.000 1.072 453 V CA -0.485 61.801 62.300 -0.022 0.000 0.937 453 V CB 2.055 33.902 31.823 0.041 0.000 1.013 453 V HN 0.250 nan 8.190 nan 0.000 0.430 454 V N 6.742 126.779 119.914 0.205 0.000 2.448 454 V HA 0.450 4.570 4.120 -0.000 0.000 0.295 454 V C -0.976 175.313 176.094 0.325 0.000 1.025 454 V CA -0.557 61.867 62.300 0.206 0.000 0.859 454 V CB 1.476 33.339 31.823 0.066 0.000 0.988 454 V HN 0.878 nan 8.190 nan 0.000 0.431 455 Y N 5.910 126.407 120.300 0.330 0.000 2.409 455 Y HA 0.729 5.279 4.550 -0.000 0.000 0.339 455 Y C -0.076 175.874 175.900 0.084 0.000 1.033 455 Y CA -0.683 57.529 58.100 0.187 0.000 1.094 455 Y CB 1.450 39.996 38.460 0.144 0.000 1.210 455 Y HN 0.641 nan 8.280 nan 0.000 0.456 456 K N 0.000 119.952 120.400 -0.747 0.000 2.780 456 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 456 K CA 0.000 55.931 56.287 -0.594 0.000 0.838 456 K CB 0.000 32.349 32.500 -0.252 0.000 1.064 456 K HN 0.000 nan 8.250 nan 0.000 0.543