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 2pfd_1_B DATA FIRST_RESID 2 DATA SEQUENCE SQLVECVPNF SEGNNQEVID AISQAISQTP GCVLLDVDAG PSTNRTVYTF DATA SEQUENCE VGQPECVVEG ALSAARTASQ LIDXRKHKGE HPRXGALDVC PFIPVRGVSX DATA SEQUENCE DECVLCAKAF GQRLAEELNV PVYLYGEAAQ XPSRQTLPAI RAGEYEALPE DATA SEQUENCE KLKQAEWVPD FGPSSFVPSW GATVTGARKF LIAFNINLLS TKEQAHRIAL DATA SEQUENCE NLREQGRGKD QPGRLKKVQG IGWYLEEKNL AQVSTNLLDF EVTALHTVYE DATA SEQUENCE EARREAQELN LPVVGSQLVG LVPLKALLDA AAFYCDKEKL FVLEEEHRIR DATA SEQUENCE LVVNRLGLDS LAPFDPKERI IEYLVPDSGP EQSLLDASLR AFVREVGARS DATA SEQUENCE AAPGGGSVAA AVAALGAALA SXVGQXTYGR RQFDHLDSTX RRLIPPFHAA DATA SEQUENCE SAQLTSLVDA DARAFAACLG AIKLPKNTPE ERDRRTCALQ EGLRQAVAVP DATA SEQUENCE LKLAETVSQL WPALQELAQC GNLSCLSDLQ VAAKALETGV FGAYFNVLIN DATA SEQUENCE LKDXTDDVFK EKTRHRISSL LQEAKTQAAL VLGSLEARKE 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.622 174.600 0.036 0.000 1.055 2 S CA 0.000 58.217 58.200 0.029 0.000 1.107 2 S CB 0.000 63.214 63.200 0.023 0.000 0.593 3 Q N 1.346 121.170 119.800 0.040 0.000 2.408 3 Q HA -0.114 4.226 4.340 -0.000 0.000 0.284 3 Q C -1.544 174.489 176.000 0.055 0.000 1.345 3 Q CA 0.288 56.119 55.803 0.046 0.000 0.713 3 Q CB -1.120 27.644 28.738 0.043 0.000 1.122 3 Q HN 0.537 nan 8.270 nan 0.000 0.394 4 L N 0.746 122.004 121.223 0.058 0.000 2.276 4 L HA 0.507 4.847 4.340 -0.000 0.000 0.286 4 L C 0.254 177.167 176.870 0.073 0.000 1.061 4 L CA -0.207 54.672 54.840 0.066 0.000 0.807 4 L CB 1.759 43.858 42.059 0.066 0.000 1.177 4 L HN 0.073 nan 8.230 nan 0.000 0.429 5 V N 4.690 124.643 119.914 0.065 0.000 2.444 5 V HA 0.318 4.437 4.120 -0.000 0.000 0.294 5 V C 0.208 176.291 176.094 -0.018 0.000 1.022 5 V CA -0.807 61.525 62.300 0.053 0.000 0.850 5 V CB 2.218 34.090 31.823 0.082 0.000 0.992 5 V HN 0.739 nan 8.190 nan 0.000 0.426 6 E N 3.460 123.634 120.200 -0.044 0.000 2.343 6 E HA 0.444 4.794 4.350 -0.000 0.000 0.269 6 E C -1.095 175.268 176.600 -0.394 0.000 1.047 6 E CA -0.304 55.990 56.400 -0.175 0.000 0.874 6 E CB 1.400 31.048 29.700 -0.088 0.000 1.033 6 E HN 0.765 nan 8.360 nan 0.000 0.409 7 C N 4.486 123.361 119.300 -0.709 0.000 2.599 7 C HA 0.417 4.877 4.460 -0.000 0.000 0.354 7 C C -1.068 173.362 174.990 -0.934 0.000 1.092 7 C CA -0.520 57.864 59.018 -1.057 0.000 1.280 7 C CB 0.130 26.945 27.740 -1.542 0.000 1.829 7 C HN 0.492 nan 8.230 nan 0.000 0.454 8 V N 8.897 128.467 119.914 -0.574 0.000 2.225 8 V HA 0.337 4.457 4.120 -0.000 0.000 0.264 8 V C -1.941 174.049 176.094 -0.175 0.000 1.067 8 V CA -1.034 61.095 62.300 -0.286 0.000 0.903 8 V CB 0.870 32.565 31.823 -0.213 0.000 1.136 8 V HN 0.804 nan 8.190 nan 0.000 0.456 9 P HA 0.030 nan 4.420 nan 0.000 0.267 9 P C -0.271 177.029 177.300 0.001 0.000 1.209 9 P CA 0.141 63.185 63.100 -0.094 0.000 0.763 9 P CB 0.629 32.306 31.700 -0.039 0.000 0.816 10 N N 3.518 122.160 118.700 -0.096 0.000 2.521 10 N HA 0.191 4.930 4.740 -0.000 0.000 0.236 10 N C -0.946 174.513 175.510 -0.085 0.000 1.067 10 N CA -0.304 52.733 53.050 -0.022 0.000 0.939 10 N CB -0.191 38.283 38.487 -0.021 0.000 1.201 10 N HN 0.230 nan 8.380 nan 0.000 0.511 11 F N 0.702 120.730 119.950 0.131 0.000 2.404 11 F HA 0.165 4.693 4.527 0.001 0.000 0.345 11 F C 1.291 177.082 175.800 -0.014 0.000 1.110 11 F CA -0.455 57.592 58.000 0.078 0.000 1.130 11 F CB 1.198 40.338 39.000 0.234 0.000 1.129 11 F HN 0.180 nan 8.300 nan 0.000 0.500 12 S N 2.852 118.592 115.700 0.068 0.000 3.900 12 S HA -0.039 4.431 4.470 -0.000 0.000 0.248 12 S C 0.456 174.949 174.600 -0.178 0.000 1.310 12 S CA -0.386 57.702 58.200 -0.186 0.000 0.915 12 S CB -0.833 62.072 63.200 -0.493 0.000 1.588 12 S HN 0.603 nan 8.310 nan 0.000 0.472 13 E N 2.558 122.762 120.200 0.006 0.000 2.414 13 E HA -0.112 4.238 4.350 -0.000 0.000 0.246 13 E C 1.551 178.162 176.600 0.018 0.000 1.200 13 E CA -0.079 56.341 56.400 0.034 0.000 0.994 13 E CB -0.654 29.081 29.700 0.059 0.000 1.098 13 E HN 0.748 nan 8.360 nan 0.000 0.452 14 G N 4.308 113.092 108.800 -0.027 0.000 2.773 14 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.224 14 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.224 14 G C 0.694 175.635 174.900 0.069 0.000 1.078 14 G CA 0.990 46.119 45.100 0.048 0.000 0.724 14 G HN 0.800 nan 8.290 nan 0.000 0.620 15 N N -1.215 117.510 118.700 0.041 0.000 2.596 15 N HA -0.157 4.583 4.740 -0.000 0.000 0.274 15 N C -0.775 174.743 175.510 0.013 0.000 1.258 15 N CA 1.137 54.204 53.050 0.028 0.000 0.636 15 N CB -1.582 36.927 38.487 0.036 0.000 0.928 15 N HN 1.123 nan 8.380 nan 0.000 0.540 16 N N 1.186 119.887 118.700 0.002 0.000 6.361 16 N HA 0.036 4.776 4.740 -0.000 0.000 0.121 16 N C 0.609 176.114 175.510 -0.009 0.000 0.988 16 N CA -0.245 52.804 53.050 -0.003 0.000 1.162 16 N CB 0.340 38.826 38.487 -0.001 0.000 1.433 16 N HN 0.073 nan 8.380 nan 0.000 1.190 17 Q N 1.820 121.615 119.800 -0.009 0.000 2.062 17 Q HA -0.331 4.009 4.340 -0.000 0.000 0.216 17 Q C 0.688 176.680 176.000 -0.014 0.000 1.052 17 Q CA 2.897 58.694 55.803 -0.010 0.000 0.910 17 Q CB -0.639 28.093 28.738 -0.009 0.000 1.043 17 Q HN 0.896 nan 8.270 nan 0.000 0.425 18 E N -0.364 119.827 120.200 -0.015 0.000 2.169 18 E HA -0.201 4.149 4.350 -0.000 0.000 0.202 18 E C 2.078 178.658 176.600 -0.034 0.000 1.016 18 E CA 1.663 58.050 56.400 -0.021 0.000 0.817 18 E CB -0.169 29.520 29.700 -0.017 0.000 0.736 18 E HN 0.192 nan 8.360 nan 0.000 0.462 19 V N 0.888 120.780 119.914 -0.036 0.000 2.302 19 V HA -0.207 3.913 4.120 -0.000 0.000 0.243 19 V C 2.192 178.244 176.094 -0.070 0.000 1.036 19 V CA 1.416 63.679 62.300 -0.062 0.000 1.020 19 V CB -0.375 31.414 31.823 -0.057 0.000 0.657 19 V HN 0.200 nan 8.190 nan 0.000 0.453 20 I N 0.686 121.245 120.570 -0.019 0.000 2.058 20 I HA -0.266 3.904 4.170 -0.000 0.000 0.235 20 I C 2.233 178.385 176.117 0.058 0.000 1.053 20 I CA 2.038 63.370 61.300 0.055 0.000 1.313 20 I CB -0.741 37.277 38.000 0.030 0.000 1.039 20 I HN 0.325 nan 8.210 nan 0.000 0.396 21 D N 1.081 121.493 120.400 0.021 0.000 2.309 21 D HA -0.120 4.520 4.640 -0.000 0.000 0.212 21 D C 2.012 178.298 176.300 -0.023 0.000 0.968 21 D CA 1.373 55.380 54.000 0.013 0.000 0.882 21 D CB -0.032 40.767 40.800 -0.000 0.000 0.918 21 D HN 0.456 nan 8.370 nan 0.000 0.503 22 A N 0.901 123.689 122.820 -0.054 0.000 1.861 22 A HA -0.001 4.319 4.320 -0.000 0.000 0.212 22 A C 2.310 179.810 177.584 -0.140 0.000 1.199 22 A CA 0.203 52.191 52.037 -0.081 0.000 0.613 22 A CB -0.492 18.462 19.000 -0.076 0.000 0.846 22 A HN 0.064 nan 8.150 nan 0.000 0.446 23 I N 0.679 121.111 120.570 -0.230 0.000 2.118 23 I HA -0.297 3.872 4.170 -0.000 0.000 0.241 23 I C 2.809 178.710 176.117 -0.360 0.000 1.070 23 I CA 1.889 62.935 61.300 -0.423 0.000 1.327 23 I CB -0.248 37.238 38.000 -0.856 0.000 1.034 23 I HN 0.469 nan 8.210 nan 0.000 0.405 24 S N -0.174 115.410 115.700 -0.194 0.000 2.537 24 S HA -0.185 4.285 4.470 -0.000 0.000 0.240 24 S C 1.781 176.348 174.600 -0.056 0.000 0.981 24 S CA 1.131 59.319 58.200 -0.020 0.000 0.948 24 S CB -0.192 63.169 63.200 0.268 0.000 0.759 24 S HN 0.509 nan 8.310 nan 0.000 0.531 25 Q N 0.206 119.955 119.800 -0.085 0.000 2.159 25 Q HA 0.290 4.630 4.340 -0.000 0.000 0.194 25 Q C 2.685 178.623 176.000 -0.102 0.000 0.968 25 Q CA 0.824 56.583 55.803 -0.074 0.000 0.837 25 Q CB -0.436 28.268 28.738 -0.056 0.000 0.920 25 Q HN 0.666 nan 8.270 nan 0.000 0.485 26 A N 1.359 124.109 122.820 -0.116 0.000 1.986 26 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 26 A C 1.966 179.459 177.584 -0.150 0.000 1.171 26 A CA 1.290 53.261 52.037 -0.111 0.000 0.640 26 A CB -0.738 18.201 19.000 -0.101 0.000 0.811 26 A HN 0.496 nan 8.150 nan 0.000 0.451 27 I N -1.662 118.775 120.570 -0.221 0.000 2.439 27 I HA -0.098 4.072 4.170 -0.000 0.000 0.251 27 I C 2.239 178.169 176.117 -0.312 0.000 1.139 27 I CA 1.597 62.690 61.300 -0.345 0.000 1.438 27 I CB 0.067 37.788 38.000 -0.465 0.000 1.085 27 I HN 0.265 nan 8.210 nan 0.000 0.427 28 S N -0.137 115.450 115.700 -0.188 0.000 2.548 28 S HA 0.071 4.541 4.470 -0.000 0.000 0.215 28 S C 1.337 175.887 174.600 -0.085 0.000 0.976 28 S CA 0.160 58.287 58.200 -0.122 0.000 0.908 28 S CB 0.006 63.166 63.200 -0.066 0.000 0.781 28 S HN 0.542 nan 8.310 nan 0.000 0.519 29 Q N 0.931 120.679 119.800 -0.086 0.000 2.204 29 Q HA 0.178 4.518 4.340 -0.000 0.000 0.209 29 Q C -0.547 175.419 176.000 -0.057 0.000 0.861 29 Q CA 0.016 55.784 55.803 -0.058 0.000 0.971 29 Q CB 0.830 29.539 28.738 -0.048 0.000 1.095 29 Q HN 0.227 nan 8.270 nan 0.000 0.486 30 T N 3.142 117.647 114.554 -0.081 0.000 2.743 30 T HA 0.303 4.653 4.350 -0.000 0.000 0.293 30 T C -2.425 172.251 174.700 -0.040 0.000 0.945 30 T CA -1.517 60.544 62.100 -0.065 0.000 1.030 30 T CB 0.971 69.778 68.868 -0.102 0.000 0.912 30 T HN -0.025 nan 8.240 nan 0.000 0.483 31 P HA 0.428 nan 4.420 nan 0.000 0.276 31 P C 0.958 178.267 177.300 0.015 0.000 1.235 31 P CA 0.163 63.263 63.100 -0.000 0.000 0.772 31 P CB 0.723 32.426 31.700 0.005 0.000 0.871 32 G N 1.250 110.064 108.800 0.024 0.000 2.184 32 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.206 32 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.206 32 G C 0.036 174.977 174.900 0.068 0.000 0.995 32 G CA -0.038 45.088 45.100 0.044 0.000 0.651 32 G HN 0.795 nan 8.290 nan 0.000 0.511 33 C N -0.603 118.734 119.300 0.062 0.000 2.848 33 C HA 0.937 5.397 4.460 -0.000 0.000 0.317 33 C C 0.026 175.064 174.990 0.079 0.000 1.260 33 C CA -1.387 57.700 59.018 0.115 0.000 1.656 33 C CB 1.802 29.662 27.740 0.201 0.000 2.174 33 C HN 0.571 nan 8.230 nan 0.000 0.479 34 V N 1.691 121.683 119.914 0.130 0.000 2.531 34 V HA 0.407 4.527 4.120 -0.000 0.000 0.301 34 V C -0.481 175.697 176.094 0.141 0.000 1.034 34 V CA -0.262 62.094 62.300 0.094 0.000 0.865 34 V CB 1.585 33.455 31.823 0.079 0.000 0.995 34 V HN 0.823 nan 8.190 nan 0.000 0.424 35 L N 5.427 126.705 121.223 0.091 0.000 2.433 35 L HA 0.271 4.611 4.340 -0.000 0.000 0.275 35 L C 0.799 177.742 176.870 0.121 0.000 1.128 35 L CA 0.831 55.747 54.840 0.127 0.000 0.875 35 L CB 0.348 42.444 42.059 0.063 0.000 1.171 35 L HN 0.614 nan 8.230 nan 0.000 0.463 36 L N 2.711 124.023 121.223 0.148 0.000 2.408 36 L HA 0.294 4.634 4.340 -0.000 0.000 0.215 36 L C -0.273 176.636 176.870 0.065 0.000 1.081 36 L CA 0.294 55.190 54.840 0.093 0.000 0.840 36 L CB 0.127 42.237 42.059 0.085 0.000 1.002 36 L HN 0.724 nan 8.230 nan 0.000 0.468 37 D N -1.422 119.024 120.400 0.077 0.000 2.706 37 D HA 0.053 4.693 4.640 -0.000 0.000 0.229 37 D C -1.451 174.862 176.300 0.022 0.000 1.145 37 D CA -0.272 53.748 54.000 0.034 0.000 0.746 37 D CB 1.589 42.395 40.800 0.009 0.000 2.093 37 D HN -0.234 nan 8.370 nan 0.000 0.473 38 V N 2.708 122.595 119.914 -0.046 0.000 2.284 38 V HA 0.560 4.680 4.120 -0.000 0.000 0.274 38 V C -0.928 175.035 176.094 -0.218 0.000 1.023 38 V CA -0.536 61.636 62.300 -0.213 0.000 0.808 38 V CB 0.960 32.631 31.823 -0.253 0.000 1.035 38 V HN 0.602 nan 8.190 nan 0.000 0.445 39 D N 6.038 126.319 120.400 -0.198 0.000 2.317 39 D HA 0.622 5.262 4.640 -0.000 0.000 0.252 39 D C 0.081 176.274 176.300 -0.178 0.000 1.174 39 D CA 0.366 54.278 54.000 -0.147 0.000 0.866 39 D CB 1.473 42.214 40.800 -0.097 0.000 1.127 39 D HN 0.899 nan 8.370 nan 0.000 0.467 40 A N 3.098 125.837 122.820 -0.135 0.000 2.350 40 A HA 0.745 5.065 4.320 -0.000 0.000 0.324 40 A C -0.023 177.523 177.584 -0.063 0.000 1.118 40 A CA -0.555 51.417 52.037 -0.109 0.000 0.783 40 A CB 1.760 20.698 19.000 -0.103 0.000 1.236 40 A HN 0.642 nan 8.150 nan 0.000 0.457 41 G N 2.455 111.229 108.800 -0.045 0.000 2.866 41 G HA2 0.527 4.487 3.960 -0.000 0.000 0.291 41 G HA3 0.527 4.487 3.960 -0.000 0.000 0.291 41 G C -2.224 172.672 174.900 -0.006 0.000 1.476 41 G CA -1.363 43.720 45.100 -0.028 0.000 1.048 41 G HN 0.342 nan 8.290 nan 0.000 0.542 42 P HA -0.251 nan 4.420 nan 0.000 0.216 42 P C 2.359 179.667 177.300 0.014 0.000 1.167 42 P CA 2.355 65.459 63.100 0.008 0.000 0.914 42 P CB 0.289 31.992 31.700 0.004 0.000 0.793 43 S N -1.677 114.030 115.700 0.012 0.000 2.428 43 S HA -0.107 4.363 4.470 -0.000 0.000 0.230 43 S C 1.807 176.423 174.600 0.026 0.000 1.014 43 S CA 1.770 59.980 58.200 0.016 0.000 0.957 43 S CB -1.915 61.297 63.200 0.020 0.000 0.784 43 S HN 0.286 nan 8.310 nan 0.000 0.499 44 T N -0.903 113.665 114.554 0.024 0.000 3.023 44 T HA 0.099 4.449 4.350 -0.000 0.000 0.266 44 T C 0.826 175.580 174.700 0.091 0.000 1.093 44 T CA 0.567 62.694 62.100 0.045 0.000 1.129 44 T CB -0.970 67.874 68.868 -0.041 0.000 0.899 44 T HN 0.431 nan 8.240 nan 0.000 0.491 45 N N 2.077 120.820 118.700 0.072 0.000 2.705 45 N HA -0.188 4.552 4.740 -0.000 0.000 0.255 45 N C -0.176 175.448 175.510 0.190 0.000 1.008 45 N CA 0.845 53.968 53.050 0.122 0.000 0.742 45 N CB -0.879 37.673 38.487 0.109 0.000 0.906 45 N HN 0.941 nan 8.380 nan 0.000 0.541 46 R N -2.506 118.055 120.500 0.103 0.000 2.781 46 R HA 0.767 5.107 4.340 -0.000 0.000 0.269 46 R C -1.378 174.942 176.300 0.034 0.000 1.025 46 R CA -0.922 55.231 56.100 0.088 0.000 0.914 46 R CB 1.119 31.485 30.300 0.110 0.000 1.236 46 R HN -0.021 nan 8.270 nan 0.000 0.465 47 T N 1.300 115.888 114.554 0.056 0.000 2.949 47 T HA 0.313 4.663 4.350 -0.000 0.000 0.300 47 T C -0.697 173.984 174.700 -0.031 0.000 0.988 47 T CA -0.705 61.352 62.100 -0.072 0.000 0.993 47 T CB 1.535 70.297 68.868 -0.177 0.000 0.984 47 T HN 0.380 nan 8.240 nan 0.000 0.442 48 V N 4.175 124.030 119.914 -0.100 0.000 2.461 48 V HA 0.383 4.502 4.120 -0.000 0.000 0.275 48 V C -0.730 175.303 176.094 -0.101 0.000 1.047 48 V CA -0.650 61.641 62.300 -0.015 0.000 0.955 48 V CB -0.286 31.516 31.823 -0.035 0.000 0.988 48 V HN 0.738 nan 8.190 nan 0.000 0.471 49 Y N 1.976 122.349 120.300 0.122 0.000 2.387 49 Y HA 0.648 5.198 4.550 -0.001 0.000 0.336 49 Y C 0.682 176.643 175.900 0.102 0.000 1.067 49 Y CA -0.674 57.515 58.100 0.147 0.000 1.114 49 Y CB 2.091 40.704 38.460 0.255 0.000 1.208 49 Y HN 0.594 nan 8.280 nan 0.000 0.458 50 T N 4.739 119.439 114.554 0.243 0.000 2.879 50 T HA 0.683 5.033 4.350 -0.000 0.000 0.290 50 T C -1.301 173.525 174.700 0.210 0.000 0.993 50 T CA -0.724 61.431 62.100 0.092 0.000 0.975 50 T CB 0.529 69.403 68.868 0.010 0.000 0.981 50 T HN 0.463 nan 8.240 nan 0.000 0.439 51 F N 0.903 120.845 119.950 -0.013 0.000 2.678 51 F HA 0.821 5.348 4.527 -0.000 0.000 0.308 51 F C -0.923 174.861 175.800 -0.026 0.000 1.118 51 F CA -1.464 56.531 58.000 -0.008 0.000 0.959 51 F CB 0.634 39.632 39.000 -0.004 0.000 1.305 51 F HN 0.528 nan 8.300 nan 0.000 0.443 52 V N -0.220 119.773 119.914 0.132 0.000 3.229 52 V HA 1.138 5.258 4.120 -0.000 0.000 0.310 52 V C -0.002 176.181 176.094 0.148 0.000 1.206 52 V CA -0.446 61.884 62.300 0.050 0.000 1.051 52 V CB 0.925 32.782 31.823 0.057 0.000 1.183 52 V HN 2.214 nan 8.190 nan 0.000 0.466 53 G N -0.229 108.632 108.800 0.102 0.000 2.357 53 G HA2 0.275 4.235 3.960 -0.000 0.000 0.289 53 G HA3 0.275 4.235 3.960 -0.000 0.000 0.289 53 G C -1.409 173.549 174.900 0.097 0.000 1.302 53 G CA -0.633 44.534 45.100 0.112 0.000 0.936 53 G HN 1.004 nan 8.290 nan 0.000 0.513 54 Q N 1.033 120.888 119.800 0.090 0.000 2.364 54 Q HA 0.390 4.730 4.340 -0.000 0.000 0.267 54 Q C -1.109 174.949 176.000 0.095 0.000 0.999 54 Q CA -0.552 55.298 55.803 0.080 0.000 0.886 54 Q CB 1.071 29.849 28.738 0.065 0.000 1.243 54 Q HN 0.236 nan 8.270 nan 0.000 0.415 55 P HA -0.364 nan 4.420 nan 0.000 0.224 55 P C 0.637 177.993 177.300 0.093 0.000 1.130 55 P CA 2.069 65.220 63.100 0.086 0.000 0.976 55 P CB 0.110 31.844 31.700 0.057 0.000 0.781 56 E N -1.141 119.104 120.200 0.075 0.000 2.230 56 E HA -0.079 4.271 4.350 -0.000 0.000 0.192 56 E C 2.079 178.735 176.600 0.094 0.000 0.987 56 E CA 1.059 57.503 56.400 0.073 0.000 0.841 56 E CB -1.402 28.329 29.700 0.051 0.000 0.783 56 E HN 0.256 nan 8.360 nan 0.000 0.481 57 C N 1.944 121.302 119.300 0.096 0.000 2.432 57 C HA -0.098 4.362 4.460 -0.000 0.000 0.277 57 C C 2.998 178.076 174.990 0.146 0.000 1.249 57 C CA 1.039 60.117 59.018 0.099 0.000 1.725 57 C CB -1.184 26.610 27.740 0.088 0.000 2.028 57 C HN 0.481 nan 8.230 nan 0.000 0.477 58 V N 0.304 120.342 119.914 0.207 0.000 2.332 58 V HA -0.167 3.953 4.120 -0.000 0.000 0.248 58 V C 2.218 178.525 176.094 0.354 0.000 1.055 58 V CA 2.267 64.778 62.300 0.351 0.000 1.038 58 V CB -1.444 30.551 31.823 0.287 0.000 0.651 58 V HN 0.387 nan 8.190 nan 0.000 0.450 59 V N 0.465 120.555 119.914 0.292 0.000 2.332 59 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 59 V C 2.926 179.141 176.094 0.202 0.000 1.055 59 V CA 2.354 64.810 62.300 0.260 0.000 1.038 59 V CB -0.858 31.061 31.823 0.161 0.000 0.651 59 V HN 0.595 nan 8.190 nan 0.000 0.450 60 E N 0.660 120.948 120.200 0.147 0.000 2.013 60 E HA -0.240 4.110 4.350 -0.000 0.000 0.202 60 E C 2.389 179.028 176.600 0.066 0.000 1.018 60 E CA 1.817 58.277 56.400 0.101 0.000 0.834 60 E CB -1.043 28.694 29.700 0.061 0.000 0.770 60 E HN 0.592 nan 8.360 nan 0.000 0.459 61 G N 1.436 110.235 108.800 -0.003 0.000 2.513 61 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.219 61 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.219 61 G C 1.756 176.587 174.900 -0.115 0.000 1.160 61 G CA 2.187 47.172 45.100 -0.192 0.000 0.767 61 G HN 0.416 nan 8.290 nan 0.000 0.571 62 A N 0.957 123.821 122.820 0.074 0.000 1.849 62 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 62 A C 2.372 180.005 177.584 0.082 0.000 1.202 62 A CA 2.418 54.417 52.037 -0.063 0.000 0.629 62 A CB -0.609 18.145 19.000 -0.409 0.000 0.834 62 A HN 0.744 nan 8.150 nan 0.000 0.447 63 L N -1.669 119.758 121.223 0.340 0.000 2.341 63 L HA 0.181 4.521 4.340 -0.000 0.000 0.214 63 L C 2.204 179.226 176.870 0.255 0.000 1.115 63 L CA 1.792 56.953 54.840 0.534 0.000 0.820 63 L CB -1.174 41.184 42.059 0.498 0.000 0.944 63 L HN 0.243 nan 8.230 nan 0.000 0.452 64 S N 0.345 116.128 115.700 0.139 0.000 2.423 64 S HA -0.026 4.444 4.470 -0.000 0.000 0.231 64 S C 2.062 176.690 174.600 0.046 0.000 1.014 64 S CA 1.054 59.290 58.200 0.060 0.000 0.965 64 S CB -0.179 63.017 63.200 -0.007 0.000 0.785 64 S HN 0.584 nan 8.310 nan 0.000 0.495 65 A N 0.358 123.221 122.820 0.073 0.000 2.030 65 A HA 0.574 4.894 4.320 -0.000 0.000 0.215 65 A C 2.265 180.015 177.584 0.277 0.000 1.164 65 A CA 1.050 53.130 52.037 0.072 0.000 0.697 65 A CB -0.800 18.235 19.000 0.057 0.000 0.827 65 A HN 0.650 nan 8.150 nan 0.000 0.457 66 A N 1.063 124.120 122.820 0.396 0.000 1.970 66 A HA -0.079 4.240 4.320 -0.000 0.000 0.216 66 A C 2.155 179.986 177.584 0.411 0.000 1.170 66 A CA 1.224 53.577 52.037 0.528 0.000 0.645 66 A CB -0.407 18.921 19.000 0.547 0.000 0.816 66 A HN 0.644 nan 8.150 nan 0.000 0.447 67 R N -1.087 119.560 120.500 0.245 0.000 2.276 67 R HA 0.032 4.372 4.340 -0.000 0.000 0.203 67 R C 1.103 177.476 176.300 0.122 0.000 1.017 67 R CA 1.608 57.806 56.100 0.164 0.000 1.010 67 R CB -0.693 29.666 30.300 0.098 0.000 0.900 67 R HN 0.270 nan 8.270 nan 0.000 0.469 68 T N 0.419 115.027 114.554 0.090 0.000 3.031 68 T HA 0.217 4.567 4.350 -0.000 0.000 0.254 68 T C 1.905 176.602 174.700 -0.005 0.000 1.060 68 T CA 0.668 62.777 62.100 0.015 0.000 1.135 68 T CB 0.362 69.200 68.868 -0.050 0.000 0.896 68 T HN 0.402 nan 8.240 nan 0.000 0.472 69 A N 2.006 124.834 122.820 0.015 0.000 2.016 69 A HA 0.030 4.350 4.320 -0.000 0.000 0.217 69 A C 2.498 180.140 177.584 0.096 0.000 1.162 69 A CA 1.572 53.596 52.037 -0.021 0.000 0.662 69 A CB -0.795 18.195 19.000 -0.016 0.000 0.812 69 A HN 0.525 nan 8.150 nan 0.000 0.450 70 S N -0.056 115.828 115.700 0.306 0.000 2.369 70 S HA -0.231 4.239 4.470 -0.000 0.000 0.225 70 S C 1.248 175.988 174.600 0.233 0.000 1.043 70 S CA 1.578 60.060 58.200 0.469 0.000 1.074 70 S CB -0.492 62.953 63.200 0.408 0.000 0.962 70 S HN 0.484 nan 8.310 nan 0.000 0.433 71 Q N 0.748 120.630 119.800 0.137 0.000 2.412 71 Q HA 0.503 4.843 4.340 -0.000 0.000 0.298 71 Q C 0.320 176.344 176.000 0.039 0.000 0.938 71 Q CA 0.119 55.970 55.803 0.081 0.000 0.968 71 Q CB 0.270 29.043 28.738 0.060 0.000 1.187 71 Q HN 0.654 nan 8.270 nan 0.000 0.421 72 L N -1.073 120.165 121.223 0.025 0.000 4.183 72 L HA 0.347 4.687 4.340 -0.000 0.000 0.406 72 L C -0.318 176.533 176.870 -0.033 0.000 1.119 72 L CA 0.235 55.067 54.840 -0.014 0.000 1.467 72 L CB 1.109 43.142 42.059 -0.044 0.000 1.684 72 L HN 0.099 nan 8.230 nan 0.000 0.633 73 I N 0.240 120.788 120.570 -0.037 0.000 2.512 73 I HA 0.285 4.454 4.170 -0.000 0.000 0.287 73 I C -0.973 175.114 176.117 -0.050 0.000 1.069 73 I CA -0.522 60.735 61.300 -0.073 0.000 1.056 73 I CB 2.124 40.032 38.000 -0.153 0.000 1.229 73 I HN -0.058 nan 8.210 nan 0.000 0.429 77 K N 1.465 121.898 120.400 0.055 0.000 2.500 77 K HA 0.158 4.478 4.320 -0.000 0.000 0.206 77 K C -0.635 175.990 176.600 0.042 0.000 1.034 77 K CA -0.038 56.273 56.287 0.041 0.000 1.179 77 K CB 0.330 32.849 32.500 0.031 0.000 0.884 77 K HN 0.107 nan 8.250 nan 0.000 0.493 78 H N 0.615 119.632 119.070 -0.089 0.000 2.457 78 H HA 0.327 4.883 4.556 -0.000 0.000 0.335 78 H C -1.215 174.059 175.328 -0.090 0.000 1.115 78 H CA -0.321 55.658 56.048 -0.114 0.000 1.219 78 H CB 0.917 30.564 29.762 -0.191 0.000 1.471 78 H HN -0.217 nan 8.280 nan 0.000 0.491 79 K N 3.911 123.843 120.400 -0.780 0.000 2.767 79 K HA 0.326 4.646 4.320 -0.000 0.000 0.286 79 K C -1.023 175.282 176.600 -0.493 0.000 1.177 79 K CA -0.225 55.745 56.287 -0.527 0.000 1.078 79 K CB 1.232 33.614 32.500 -0.197 0.000 1.358 79 K HN 0.828 nan 8.250 nan 0.000 0.531 80 G N 0.856 109.331 108.800 -0.542 0.000 2.461 80 G HA2 0.227 4.187 3.960 -0.000 0.000 0.329 80 G HA3 0.227 4.187 3.960 -0.000 0.000 0.329 80 G C -0.248 174.625 174.900 -0.045 0.000 1.170 80 G CA -0.549 44.443 45.100 -0.181 0.000 0.935 80 G HN 0.515 nan 8.290 nan 0.000 0.492 81 E N -0.108 120.102 120.200 0.016 0.000 2.330 81 E HA 0.080 4.430 4.350 -0.000 0.000 0.210 81 E C -0.600 176.079 176.600 0.132 0.000 1.256 81 E CA 0.062 56.491 56.400 0.049 0.000 1.346 81 E CB -0.053 29.671 29.700 0.040 0.000 1.308 81 E HN 0.438 nan 8.360 nan 0.000 0.441 82 H N -0.648 118.427 119.070 0.009 0.000 2.934 82 H HA 0.223 4.779 4.556 -0.000 0.000 0.340 82 H C -2.615 172.729 175.328 0.026 0.000 1.008 82 H CA -2.548 53.510 56.048 0.017 0.000 1.317 82 H CB 1.322 31.096 29.762 0.020 0.000 1.670 82 H HN -0.151 nan 8.280 nan 0.000 0.516 83 P HA -0.110 nan 4.420 nan 0.000 0.196 83 P C -0.007 177.130 177.300 -0.271 0.000 1.360 83 P CA 0.203 63.120 63.100 -0.306 0.000 1.128 83 P CB -0.452 31.061 31.700 -0.311 0.000 1.750 87 A N -1.189 121.218 122.820 -0.688 0.000 2.030 87 A HA 0.584 4.904 4.320 -0.000 0.000 0.215 87 A C 0.885 178.214 177.584 -0.425 0.000 1.164 87 A CA 0.839 52.469 52.037 -0.680 0.000 0.697 87 A CB -0.153 18.230 19.000 -1.029 0.000 0.827 87 A HN 0.672 nan 8.150 nan 0.000 0.457 88 L N 0.980 121.950 121.223 -0.422 0.000 2.366 88 L HA 0.276 4.616 4.340 -0.000 0.000 0.266 88 L C -0.203 176.606 176.870 -0.102 0.000 1.010 88 L CA -0.506 54.143 54.840 -0.319 0.000 0.879 88 L CB 1.060 42.979 42.059 -0.234 0.000 1.228 88 L HN 0.280 nan 8.230 nan 0.000 0.439 89 D N 1.129 121.469 120.400 -0.101 0.000 1.889 89 D HA -0.046 4.594 4.640 -0.000 0.000 0.278 89 D C 0.195 176.498 176.300 0.004 0.000 1.077 89 D CA 0.444 54.429 54.000 -0.025 0.000 0.968 89 D CB 0.490 41.270 40.800 -0.032 0.000 1.201 89 D HN 0.273 nan 8.370 nan 0.000 0.448 90 V N 0.219 120.123 119.914 -0.017 0.000 2.694 90 V HA 0.031 4.151 4.120 -0.000 0.000 0.306 90 V C -0.220 175.911 176.094 0.063 0.000 1.054 90 V CA -0.248 62.062 62.300 0.016 0.000 1.161 90 V CB 0.576 32.331 31.823 -0.112 0.000 0.916 90 V HN 0.524 nan 8.190 nan 0.000 0.490 91 C N 9.647 129.060 119.300 0.189 0.000 2.653 91 C HA 0.725 5.185 4.460 -0.000 0.000 0.291 91 C C -2.466 172.670 174.990 0.243 0.000 1.064 91 C CA -1.355 57.737 59.018 0.123 0.000 1.469 91 C CB 0.578 28.428 27.740 0.183 0.000 1.861 91 C HN 0.991 nan 8.230 nan 0.000 0.434 92 P HA 0.592 nan 4.420 nan 0.000 0.283 92 P C -1.244 175.987 177.300 -0.116 0.000 1.271 92 P CA -0.476 62.735 63.100 0.185 0.000 0.841 92 P CB 1.197 32.999 31.700 0.170 0.000 1.122 93 F N 1.212 121.113 119.950 -0.080 0.000 2.553 93 F HA 0.410 4.937 4.527 0.000 0.000 0.335 93 F C 0.282 176.035 175.800 -0.078 0.000 1.148 93 F CA -0.698 57.239 58.000 -0.105 0.000 0.963 93 F CB 1.203 40.155 39.000 -0.080 0.000 1.217 93 F HN 0.073 nan 8.300 nan 0.000 0.441 94 I N 2.179 122.760 120.570 0.019 0.000 2.603 94 I HA 0.620 4.790 4.170 -0.000 0.000 0.300 94 I C -2.789 173.383 176.117 0.093 0.000 1.017 94 I CA -2.578 58.749 61.300 0.045 0.000 1.098 94 I CB 1.997 39.991 38.000 -0.010 0.000 1.279 94 I HN 0.176 nan 8.210 nan 0.000 0.437 95 P HA 0.248 nan 4.420 nan 0.000 0.277 95 P C 0.100 177.518 177.300 0.196 0.000 1.240 95 P CA -0.194 62.987 63.100 0.135 0.000 0.798 95 P CB 2.388 34.155 31.700 0.112 0.000 0.979 96 V N 1.469 121.474 119.914 0.151 0.000 3.102 96 V HA 0.198 4.318 4.120 -0.000 0.000 0.225 96 V C 0.836 176.987 176.094 0.094 0.000 1.301 96 V CA 0.890 63.276 62.300 0.143 0.000 1.308 96 V CB -0.146 31.753 31.823 0.127 0.000 1.129 96 V HN 0.662 nan 8.190 nan 0.000 0.502 97 R N -0.983 119.565 120.500 0.080 0.000 2.668 97 R HA 0.668 5.008 4.340 -0.000 0.000 0.272 97 R C 0.649 176.983 176.300 0.057 0.000 1.019 97 R CA 0.163 56.301 56.100 0.065 0.000 0.894 97 R CB 1.548 31.879 30.300 0.053 0.000 1.228 97 R HN 0.421 nan 8.270 nan 0.000 0.460 98 G N 1.127 109.956 108.800 0.049 0.000 3.078 98 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.227 98 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.227 98 G C 0.122 175.046 174.900 0.040 0.000 1.306 98 G CA 0.318 45.442 45.100 0.040 0.000 0.841 98 G HN 0.885 nan 8.290 nan 0.000 0.530 99 V N 2.252 122.195 119.914 0.048 0.000 2.572 99 V HA 0.610 4.730 4.120 -0.000 0.000 0.291 99 V C 0.881 177.002 176.094 0.046 0.000 1.039 99 V CA 1.021 63.349 62.300 0.047 0.000 1.055 99 V CB 1.342 33.199 31.823 0.056 0.000 0.969 99 V HN 1.134 nan 8.190 nan 0.000 0.482 103 E N 0.715 120.922 120.200 0.011 0.000 2.028 103 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 103 E C 1.907 178.511 176.600 0.006 0.000 0.988 103 E CA 1.379 57.786 56.400 0.012 0.000 0.799 103 E CB 0.117 29.831 29.700 0.023 0.000 0.755 103 E HN 0.209 nan 8.360 nan 0.000 0.447 104 C N 0.479 119.791 119.300 0.021 0.000 2.411 104 C HA -0.105 4.355 4.460 -0.000 0.000 0.279 104 C C 2.639 177.620 174.990 -0.015 0.000 1.288 104 C CA 0.289 59.325 59.018 0.030 0.000 1.764 104 C CB -0.851 26.925 27.740 0.060 0.000 1.974 104 C HN 0.266 nan 8.230 nan 0.000 0.498 105 V N 0.395 120.298 119.914 -0.018 0.000 2.427 105 V HA -0.157 3.963 4.120 -0.000 0.000 0.248 105 V C 2.401 178.469 176.094 -0.043 0.000 1.051 105 V CA 1.418 63.699 62.300 -0.031 0.000 1.048 105 V CB -0.551 31.262 31.823 -0.016 0.000 0.666 105 V HN 0.469 nan 8.190 nan 0.000 0.456 106 L N -0.580 120.621 121.223 -0.038 0.000 2.240 106 L HA -0.075 4.265 4.340 -0.000 0.000 0.211 106 L C 2.475 179.291 176.870 -0.091 0.000 1.106 106 L CA 1.504 56.320 54.840 -0.040 0.000 0.793 106 L CB -1.146 40.902 42.059 -0.017 0.000 0.927 106 L HN 0.474 nan 8.230 nan 0.000 0.446 107 C N -0.360 118.858 119.300 -0.136 0.000 2.446 107 C HA -0.074 4.386 4.460 -0.000 0.000 0.277 107 C C 3.014 177.715 174.990 -0.482 0.000 1.275 107 C CA 0.546 59.406 59.018 -0.264 0.000 1.727 107 C CB -1.157 26.427 27.740 -0.260 0.000 2.010 107 C HN 0.577 nan 8.230 nan 0.000 0.486 108 A N 0.987 123.545 122.820 -0.438 0.000 1.933 108 A HA -0.171 4.148 4.320 -0.000 0.000 0.218 108 A C 2.160 179.610 177.584 -0.223 0.000 1.175 108 A CA 1.571 53.385 52.037 -0.372 0.000 0.628 108 A CB -0.358 18.545 19.000 -0.162 0.000 0.814 108 A HN 0.558 nan 8.150 nan 0.000 0.444 109 K N -0.039 120.283 120.400 -0.131 0.000 2.097 109 K HA -0.055 4.265 4.320 -0.000 0.000 0.206 109 K C 2.221 178.720 176.600 -0.168 0.000 1.049 109 K CA 1.291 57.547 56.287 -0.052 0.000 0.933 109 K CB -0.664 31.861 32.500 0.041 0.000 0.717 109 K HN 0.481 nan 8.250 nan 0.000 0.442 110 A N 1.073 123.796 122.820 -0.162 0.000 1.840 110 A HA -0.125 4.195 4.320 -0.000 0.000 0.214 110 A C 2.098 179.584 177.584 -0.162 0.000 1.198 110 A CA 0.984 52.943 52.037 -0.130 0.000 0.608 110 A CB -0.848 18.106 19.000 -0.076 0.000 0.839 110 A HN 0.234 nan 8.150 nan 0.000 0.443 111 F N 1.500 121.255 119.950 -0.324 0.000 2.065 111 F HA -0.132 4.395 4.527 -0.000 0.000 0.298 111 F C 2.349 177.958 175.800 -0.319 0.000 1.112 111 F CA 1.587 59.436 58.000 -0.251 0.000 1.212 111 F CB -0.948 37.910 39.000 -0.237 0.000 0.975 111 F HN 0.198 nan 8.300 nan 0.000 0.476 112 G N -0.634 107.810 108.800 -0.592 0.000 2.476 112 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.218 112 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.218 112 G C 1.561 175.689 174.900 -1.287 0.000 1.164 112 G CA 0.979 45.496 45.100 -0.971 0.000 0.768 112 G HN 0.507 nan 8.290 nan 0.000 0.560 113 Q N -0.220 118.815 119.800 -1.275 0.000 1.916 113 Q HA -0.025 4.315 4.340 -0.000 0.000 0.203 113 Q C 2.767 178.583 176.000 -0.307 0.000 0.983 113 Q CA 0.943 56.389 55.803 -0.595 0.000 0.846 113 Q CB -0.130 28.544 28.738 -0.107 0.000 0.909 113 Q HN 0.367 nan 8.270 nan 0.000 0.427 114 R N 0.079 120.433 120.500 -0.243 0.000 2.226 114 R HA -0.198 4.141 4.340 -0.000 0.000 0.246 114 R C 2.222 178.395 176.300 -0.211 0.000 1.161 114 R CA 1.157 57.163 56.100 -0.156 0.000 0.997 114 R CB -0.275 29.979 30.300 -0.077 0.000 0.870 114 R HN 0.303 nan 8.270 nan 0.000 0.465 115 L N -0.259 120.731 121.223 -0.388 0.000 2.062 115 L HA 0.073 4.413 4.340 -0.000 0.000 0.202 115 L C 2.143 178.801 176.870 -0.352 0.000 1.079 115 L CA 1.864 56.436 54.840 -0.446 0.000 0.755 115 L CB -0.707 40.838 42.059 -0.857 0.000 0.913 115 L HN 0.048 nan 8.230 nan 0.000 0.445 116 A N -0.673 121.935 122.820 -0.353 0.000 2.131 116 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 116 A C 2.031 179.510 177.584 -0.176 0.000 1.158 116 A CA 1.672 53.553 52.037 -0.261 0.000 0.665 116 A CB -0.589 18.305 19.000 -0.175 0.000 0.795 116 A HN 0.644 nan 8.150 nan 0.000 0.460 117 E N 0.060 120.171 120.200 -0.148 0.000 2.021 117 E HA -0.124 4.226 4.350 -0.000 0.000 0.189 117 E C 1.560 178.100 176.600 -0.100 0.000 0.980 117 E CA 1.046 57.390 56.400 -0.094 0.000 0.803 117 E CB -0.489 29.171 29.700 -0.066 0.000 0.766 117 E HN 0.757 nan 8.360 nan 0.000 0.449 118 E N 0.204 120.336 120.200 -0.113 0.000 2.516 118 E HA 0.005 4.355 4.350 -0.000 0.000 0.199 118 E C 1.709 178.243 176.600 -0.110 0.000 1.069 118 E CA 0.154 56.501 56.400 -0.089 0.000 0.876 118 E CB 0.259 29.919 29.700 -0.065 0.000 0.843 118 E HN 0.141 nan 8.360 nan 0.000 0.530 119 L N -0.607 120.513 121.223 -0.172 0.000 2.641 119 L HA 0.143 4.483 4.340 -0.000 0.000 0.207 119 L C 0.252 177.005 176.870 -0.195 0.000 1.049 119 L CA -0.091 54.618 54.840 -0.219 0.000 0.866 119 L CB 0.680 42.492 42.059 -0.411 0.000 1.264 119 L HN -0.021 nan 8.230 nan 0.000 0.483 120 N N 1.102 119.683 118.700 -0.199 0.000 2.682 120 N HA -0.112 4.627 4.740 -0.000 0.000 0.269 120 N C -1.204 174.178 175.510 -0.213 0.000 1.193 120 N CA 0.755 53.710 53.050 -0.157 0.000 0.660 120 N CB -0.573 37.859 38.487 -0.092 0.000 0.905 120 N HN 0.150 nan 8.380 nan 0.000 0.558 121 V N -0.540 119.211 119.914 -0.272 0.000 3.120 121 V HA 0.754 4.874 4.120 -0.000 0.000 0.303 121 V C -2.681 173.254 176.094 -0.265 0.000 1.238 121 V CA -1.854 60.252 62.300 -0.324 0.000 1.008 121 V CB 2.155 33.568 31.823 -0.684 0.000 1.064 121 V HN 0.072 nan 8.190 nan 0.000 0.434 122 P HA 0.424 nan 4.420 nan 0.000 0.276 122 P C -0.825 176.181 177.300 -0.490 0.000 1.253 122 P CA 0.058 62.968 63.100 -0.317 0.000 0.766 122 P CB 1.281 32.828 31.700 -0.255 0.000 0.845 123 V N 6.228 125.833 119.914 -0.515 0.000 2.577 123 V HA 0.569 4.689 4.120 -0.000 0.000 0.303 123 V C -1.754 174.124 176.094 -0.361 0.000 1.042 123 V CA -0.760 61.269 62.300 -0.452 0.000 0.872 123 V CB 0.836 32.526 31.823 -0.223 0.000 0.998 123 V HN 0.326 nan 8.190 nan 0.000 0.423 124 Y N 6.287 126.688 120.300 0.168 0.000 2.364 124 Y HA 0.663 5.213 4.550 -0.000 0.000 0.340 124 Y C 0.209 176.253 175.900 0.240 0.000 0.975 124 Y CA -1.458 56.769 58.100 0.212 0.000 1.089 124 Y CB 1.287 39.866 38.460 0.199 0.000 1.192 124 Y HN 0.781 nan 8.280 nan 0.000 0.454 125 L N 2.656 124.120 121.223 0.403 0.000 2.371 125 L HA 0.663 5.003 4.340 -0.000 0.000 0.272 125 L C -0.725 176.343 176.870 0.331 0.000 1.124 125 L CA -0.761 54.275 54.840 0.327 0.000 0.816 125 L CB 0.633 42.843 42.059 0.253 0.000 1.129 125 L HN 0.802 nan 8.230 nan 0.000 0.448 126 Y N 2.048 122.451 120.300 0.173 0.000 2.686 126 Y HA 0.900 5.450 4.550 -0.000 0.000 0.330 126 Y C 0.618 176.582 175.900 0.106 0.000 1.082 126 Y CA -0.195 57.986 58.100 0.135 0.000 1.158 126 Y CB 0.764 39.301 38.460 0.129 0.000 1.333 126 Y HN 1.102 nan 8.280 nan 0.000 0.519 127 G N 1.115 109.854 108.800 -0.102 0.000 2.552 127 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.265 127 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.265 127 G C 0.449 175.268 174.900 -0.135 0.000 1.234 127 G CA 0.372 45.327 45.100 -0.242 0.000 0.944 127 G HN 0.817 nan 8.290 nan 0.000 0.568 128 E N 0.977 121.091 120.200 -0.143 0.000 2.492 128 E HA 0.007 4.357 4.350 -0.000 0.000 0.204 128 E C 2.071 178.635 176.600 -0.060 0.000 1.073 128 E CA 1.464 57.821 56.400 -0.073 0.000 0.887 128 E CB -0.443 29.222 29.700 -0.059 0.000 0.813 128 E HN 0.780 nan 8.360 nan 0.000 0.562 129 A N 1.448 124.219 122.820 -0.083 0.000 2.383 129 A HA 0.455 4.775 4.320 -0.000 0.000 0.225 129 A C 1.038 178.634 177.584 0.020 0.000 1.946 129 A CA 0.394 52.415 52.037 -0.028 0.000 0.739 129 A CB -0.823 18.157 19.000 -0.033 0.000 1.405 129 A HN 0.193 nan 8.150 nan 0.000 0.548 130 A N 0.132 122.987 122.820 0.057 0.000 2.583 130 A HA 0.074 4.394 4.320 -0.000 0.000 0.254 130 A C 0.263 177.880 177.584 0.054 0.000 0.960 130 A CA 0.949 53.041 52.037 0.091 0.000 0.904 130 A CB -0.485 18.591 19.000 0.127 0.000 0.827 130 A HN 0.621 nan 8.150 nan 0.000 0.450 134 S N -1.461 114.233 115.700 -0.010 0.000 2.744 134 S HA 0.223 4.693 4.470 -0.000 0.000 0.265 134 S C 1.299 175.914 174.600 0.025 0.000 1.065 134 S CA -0.496 57.690 58.200 -0.023 0.000 1.191 134 S CB 0.519 63.658 63.200 -0.101 0.000 1.150 134 S HN 0.072 nan 8.310 nan 0.000 0.646 135 R N 1.391 121.927 120.500 0.060 0.000 2.365 135 R HA 0.188 4.528 4.340 -0.000 0.000 0.223 135 R C 2.055 178.463 176.300 0.180 0.000 0.899 135 R CA 0.527 56.703 56.100 0.127 0.000 1.059 135 R CB 0.064 30.448 30.300 0.141 0.000 1.086 135 R HN 0.639 nan 8.270 nan 0.000 0.522 136 Q N 0.223 120.108 119.800 0.141 0.000 2.170 136 Q HA -0.060 4.279 4.340 -0.000 0.000 0.203 136 Q C 0.747 176.882 176.000 0.225 0.000 0.976 136 Q CA 1.259 57.161 55.803 0.166 0.000 0.858 136 Q CB -0.296 28.497 28.738 0.092 0.000 0.907 136 Q HN -0.077 nan 8.270 nan 0.000 0.433 137 T N 0.562 115.209 114.554 0.154 0.000 2.737 137 T HA 0.194 4.544 4.350 -0.000 0.000 0.296 137 T C 0.757 175.514 174.700 0.095 0.000 0.922 137 T CA -0.595 61.578 62.100 0.123 0.000 1.079 137 T CB 0.807 69.721 68.868 0.077 0.000 0.892 137 T HN 0.359 nan 8.240 nan 0.000 0.514 138 L N 7.830 129.071 121.223 0.030 0.000 2.017 138 L HA 0.194 4.534 4.340 -0.000 0.000 0.208 138 L C -0.677 176.129 176.870 -0.106 0.000 1.073 138 L CA 1.584 56.325 54.840 -0.167 0.000 0.745 138 L CB -1.097 40.707 42.059 -0.424 0.000 0.894 138 L HN 0.510 nan 8.230 nan 0.000 0.432 139 P HA -0.158 nan 4.420 nan 0.000 0.219 139 P C 1.386 178.673 177.300 -0.023 0.000 1.146 139 P CA 1.843 64.914 63.100 -0.047 0.000 0.808 139 P CB -0.195 31.492 31.700 -0.021 0.000 0.779 140 A N -0.245 122.589 122.820 0.022 0.000 1.898 140 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 140 A C 2.286 179.932 177.584 0.103 0.000 1.181 140 A CA 1.153 53.242 52.037 0.087 0.000 0.620 140 A CB -1.490 17.585 19.000 0.124 0.000 0.819 140 A HN 0.106 nan 8.150 nan 0.000 0.442 141 I N -0.447 120.144 120.570 0.035 0.000 2.179 141 I HA -0.168 4.002 4.170 -0.000 0.000 0.242 141 I C 1.566 177.478 176.117 -0.342 0.000 1.088 141 I CA 0.861 62.072 61.300 -0.148 0.000 1.357 141 I CB -0.130 37.790 38.000 -0.134 0.000 1.051 141 I HN 0.159 nan 8.210 nan 0.000 0.409 142 R N 1.524 121.902 120.500 -0.202 0.000 4.885 142 R HA -0.019 4.321 4.340 -0.000 0.000 0.170 142 R C 0.637 176.815 176.300 -0.202 0.000 2.294 142 R CA 0.197 56.188 56.100 -0.182 0.000 1.799 142 R CB -0.726 29.495 30.300 -0.131 0.000 1.269 142 R HN 0.293 nan 8.270 nan 0.000 0.786 143 A N 1.094 123.708 122.820 -0.343 0.000 3.078 143 A HA 0.131 4.451 4.320 -0.000 0.000 0.258 143 A C 1.281 178.748 177.584 -0.195 0.000 1.971 143 A CA 0.750 52.591 52.037 -0.325 0.000 1.524 143 A CB -0.802 17.794 19.000 -0.673 0.000 0.871 143 A HN 0.692 nan 8.150 nan 0.000 0.609 144 G N 0.223 108.951 108.800 -0.120 0.000 2.171 144 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.238 144 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.238 144 G C 0.111 174.977 174.900 -0.056 0.000 1.039 144 G CA 0.707 45.763 45.100 -0.074 0.000 0.759 144 G HN 2.085 nan 8.290 nan 0.000 0.501 145 E N -3.362 116.801 120.200 -0.062 0.000 3.675 145 E HA -0.483 3.867 4.350 -0.000 0.000 0.252 145 E C 0.980 177.625 176.600 0.076 0.000 1.502 145 E CA 1.172 57.572 56.400 0.000 0.000 2.293 145 E CB -1.126 28.586 29.700 0.020 0.000 2.078 145 E HN 1.171 nan 8.360 nan 0.000 0.461 146 Y N 1.948 122.252 120.300 0.005 0.000 1.997 146 Y HA -0.213 4.337 4.550 0.000 0.000 0.265 146 Y C 0.913 176.861 175.900 0.080 0.000 1.193 146 Y CA 2.621 60.757 58.100 0.059 0.000 1.106 146 Y CB -0.713 37.803 38.460 0.095 0.000 0.940 146 Y HN 0.490 nan 8.280 nan 0.000 0.494 147 E N 0.048 120.207 120.200 -0.069 0.000 1.791 147 E HA 0.413 4.763 4.350 -0.000 0.000 0.263 147 E C 0.416 176.966 176.600 -0.083 0.000 1.213 147 E CA 0.556 56.875 56.400 -0.136 0.000 0.991 147 E CB 0.196 29.848 29.700 -0.081 0.000 1.068 147 E HN 0.431 nan 8.360 nan 0.000 0.417 148 A N 1.988 124.740 122.820 -0.113 0.000 1.621 148 A HA 0.112 4.431 4.320 -0.000 0.000 0.212 148 A C 1.428 178.895 177.584 -0.195 0.000 1.760 148 A CA -0.295 51.650 52.037 -0.154 0.000 1.251 148 A CB -0.386 18.489 19.000 -0.208 0.000 1.168 148 A HN 0.425 nan 8.150 nan 0.000 0.463 149 L N 1.187 122.214 121.223 -0.326 0.000 2.197 149 L HA -0.100 4.240 4.340 -0.000 0.000 0.215 149 L C -0.883 175.767 176.870 -0.366 0.000 1.095 149 L CA 1.544 56.039 54.840 -0.574 0.000 0.764 149 L CB -1.077 40.253 42.059 -1.215 0.000 0.897 149 L HN 0.337 nan 8.230 nan 0.000 0.436 150 P HA -0.145 nan 4.420 nan 0.000 0.242 150 P C 0.446 177.808 177.300 0.103 0.000 1.198 150 P CA 1.374 64.646 63.100 0.287 0.000 0.756 150 P CB 0.021 31.863 31.700 0.237 0.000 0.911 151 E N -1.880 118.331 120.200 0.020 0.000 2.624 151 E HA 0.115 4.465 4.350 -0.000 0.000 0.192 151 E C 1.439 178.046 176.600 0.012 0.000 0.961 151 E CA -0.391 56.023 56.400 0.023 0.000 1.632 151 E CB -0.429 29.285 29.700 0.024 0.000 2.082 151 E HN -0.056 nan 8.360 nan 0.000 1.040 152 K N 1.729 122.098 120.400 -0.052 0.000 2.262 152 K HA 0.198 4.518 4.320 -0.000 0.000 0.200 152 K C 1.927 178.540 176.600 0.021 0.000 1.049 152 K CA 0.780 57.037 56.287 -0.049 0.000 0.979 152 K CB 0.239 32.563 32.500 -0.293 0.000 0.773 152 K HN 0.248 nan 8.250 nan 0.000 0.474 153 L N -0.714 120.489 121.223 -0.033 0.000 2.660 153 L HA 0.209 4.549 4.340 -0.000 0.000 0.238 153 L C 0.444 177.349 176.870 0.059 0.000 1.161 153 L CA 0.789 55.646 54.840 0.028 0.000 0.937 153 L CB -0.136 41.879 42.059 -0.073 0.000 1.122 153 L HN -0.063 nan 8.230 nan 0.000 0.435 154 K N 1.245 121.688 120.400 0.072 0.000 3.253 154 K HA 0.355 4.675 4.320 -0.000 0.000 0.174 154 K C -0.970 175.683 176.600 0.090 0.000 1.071 154 K CA -0.106 56.224 56.287 0.073 0.000 0.836 154 K CB 0.535 33.071 32.500 0.059 0.000 0.922 154 K HN 0.432 nan 8.250 nan 0.000 0.565 155 Q N 0.071 119.946 119.800 0.124 0.000 2.263 155 Q HA 0.314 4.653 4.340 -0.000 0.000 0.266 155 Q C 0.320 176.374 176.000 0.089 0.000 1.002 155 Q CA -0.298 55.577 55.803 0.119 0.000 0.790 155 Q CB 2.005 30.857 28.738 0.190 0.000 1.272 155 Q HN 0.419 nan 8.270 nan 0.000 0.435 156 A N 2.373 125.217 122.820 0.040 0.000 2.054 156 A HA -0.297 4.023 4.320 -0.000 0.000 0.223 156 A C 1.710 179.280 177.584 -0.023 0.000 1.169 156 A CA 2.290 54.334 52.037 0.010 0.000 0.655 156 A CB -0.199 18.798 19.000 -0.005 0.000 0.812 156 A HN 0.879 nan 8.150 nan 0.000 0.462 157 E N -1.378 118.789 120.200 -0.054 0.000 2.008 157 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 157 E C 1.061 177.525 176.600 -0.227 0.000 0.986 157 E CA 0.914 57.194 56.400 -0.198 0.000 0.807 157 E CB -0.187 29.346 29.700 -0.278 0.000 0.766 157 E HN 0.795 nan 8.360 nan 0.000 0.450 158 W N 1.609 122.908 121.300 -0.002 0.000 3.433 158 W HA 0.189 4.849 4.660 0.000 0.000 0.376 158 W C -0.341 176.223 176.519 0.075 0.000 1.160 158 W CA -0.823 56.523 57.345 0.002 0.000 1.832 158 W CB 0.389 29.837 29.460 -0.021 0.000 1.011 158 W HN -0.136 nan 8.180 nan 0.000 0.766 159 V N 3.399 123.446 119.914 0.223 0.000 2.539 159 V HA -0.084 4.036 4.120 -0.000 0.000 0.300 159 V C -1.524 174.733 176.094 0.272 0.000 1.019 159 V CA -1.105 61.306 62.300 0.186 0.000 1.160 159 V CB -0.201 31.671 31.823 0.080 0.000 0.901 159 V HN -0.135 nan 8.190 nan 0.000 0.481 160 P HA 0.140 nan 4.420 nan 0.000 0.268 160 P C 0.029 177.405 177.300 0.126 0.000 1.205 160 P CA -0.168 63.087 63.100 0.258 0.000 0.771 160 P CB 0.555 32.201 31.700 -0.091 0.000 0.858 161 D N 0.880 121.384 120.400 0.173 0.000 2.269 161 D HA 0.039 4.679 4.640 -0.000 0.000 0.208 161 D C 0.049 176.214 176.300 -0.226 0.000 0.963 161 D CA 1.405 55.419 54.000 0.025 0.000 0.864 161 D CB -0.193 40.701 40.800 0.158 0.000 0.936 161 D HN 0.315 nan 8.370 nan 0.000 0.505 162 F N -1.124 118.786 119.950 -0.066 0.000 2.626 162 F HA 0.533 5.060 4.527 0.000 0.000 0.311 162 F C 0.445 176.147 175.800 -0.163 0.000 1.088 162 F CA -0.752 57.183 58.000 -0.108 0.000 0.949 162 F CB 2.149 41.072 39.000 -0.129 0.000 1.322 162 F HN -0.055 nan 8.300 nan 0.000 0.461 163 G N 2.570 111.406 108.800 0.060 0.000 2.850 163 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.686 163 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.686 163 G C -2.522 172.343 174.900 -0.059 0.000 1.164 163 G CA -1.121 43.950 45.100 -0.048 0.000 0.826 163 G HN 0.467 nan 8.290 nan 0.000 0.586 164 P HA -0.111 nan 4.420 nan 0.000 0.225 164 P C 1.321 178.608 177.300 -0.021 0.000 0.928 164 P CA 2.280 65.362 63.100 -0.031 0.000 1.055 164 P CB 0.039 31.722 31.700 -0.028 0.000 0.635 165 S N -4.600 111.092 115.700 -0.012 0.000 2.599 165 S HA 0.089 4.559 4.470 -0.000 0.000 0.217 165 S C 0.154 174.761 174.600 0.011 0.000 0.852 165 S CA -0.297 57.906 58.200 0.005 0.000 1.521 165 S CB -0.381 62.834 63.200 0.025 0.000 1.269 165 S HN 0.188 nan 8.310 nan 0.000 0.607 166 S N 1.274 116.981 115.700 0.012 0.000 2.603 166 S HA 0.680 5.149 4.470 -0.000 0.000 0.268 166 S C -0.983 173.688 174.600 0.118 0.000 1.317 166 S CA 0.016 58.253 58.200 0.062 0.000 1.012 166 S CB 0.311 63.537 63.200 0.043 0.000 0.926 166 S HN 0.266 nan 8.310 nan 0.000 0.539 167 F N 3.444 123.406 119.950 0.020 0.000 2.458 167 F HA 0.595 5.122 4.527 -0.000 0.000 0.336 167 F C -0.650 175.182 175.800 0.055 0.000 1.114 167 F CA -1.395 56.630 58.000 0.041 0.000 0.987 167 F CB 1.239 40.258 39.000 0.032 0.000 1.130 167 F HN 0.251 nan 8.300 nan 0.000 0.458 168 V N 8.231 128.516 119.914 0.619 0.000 2.513 168 V HA 0.346 4.466 4.120 -0.000 0.000 0.299 168 V C -1.626 174.625 176.094 0.263 0.000 1.035 168 V CA -1.418 61.073 62.300 0.318 0.000 0.889 168 V CB 1.665 33.658 31.823 0.283 0.000 0.988 168 V HN 0.601 nan 8.190 nan 0.000 0.440 169 P HA -0.122 nan 4.420 nan 0.000 0.215 169 P C 1.033 178.455 177.300 0.202 0.000 1.157 169 P CA 1.608 64.734 63.100 0.042 0.000 0.868 169 P CB 0.161 31.870 31.700 0.016 0.000 0.788 170 S N -3.901 111.928 115.700 0.214 0.000 2.597 170 S HA 0.123 4.593 4.470 -0.000 0.000 0.224 170 S C 0.283 175.035 174.600 0.253 0.000 0.955 170 S CA -0.606 57.709 58.200 0.190 0.000 0.933 170 S CB -0.481 62.804 63.200 0.141 0.000 0.788 170 S HN 0.220 nan 8.310 nan 0.000 0.488 171 W N 0.125 121.534 121.300 0.182 0.000 3.029 171 W HA 0.600 5.260 4.660 -0.000 0.000 0.339 171 W C -0.592 176.112 176.519 0.308 0.000 1.198 171 W CA -0.815 56.635 57.345 0.175 0.000 1.148 171 W CB 1.893 31.430 29.460 0.129 0.000 1.451 171 W HN 0.036 nan 8.180 nan 0.000 0.564 172 G N 1.940 111.099 108.800 0.598 0.000 5.077 172 G HA2 0.533 4.493 3.960 -0.000 0.000 0.230 172 G HA3 0.533 4.493 3.960 -0.000 0.000 0.230 172 G C -0.249 174.883 174.900 0.386 0.000 0.924 172 G CA 0.456 45.851 45.100 0.492 0.000 0.770 172 G HN 1.326 nan 8.290 nan 0.000 0.512 173 A N -0.778 122.334 122.820 0.486 0.000 2.556 173 A HA 0.251 4.571 4.320 -0.000 0.000 0.682 173 A C 0.063 177.878 177.584 0.385 0.000 0.218 173 A CA 0.577 52.779 52.037 0.276 0.000 0.079 173 A CB -1.203 17.916 19.000 0.198 0.000 3.949 173 A HN 1.298 nan 8.150 nan 0.000 0.546 174 T N -0.001 114.693 114.554 0.233 0.000 2.923 174 T HA 0.672 5.022 4.350 -0.000 0.000 0.311 174 T C -0.471 174.350 174.700 0.201 0.000 1.183 174 T CA 0.110 62.365 62.100 0.258 0.000 1.020 174 T CB 1.682 70.754 68.868 0.340 0.000 1.165 174 T HN 2.172 nan 8.240 nan 0.000 0.482 175 V N 0.365 120.425 119.914 0.243 0.000 2.409 175 V HA 0.728 4.848 4.120 -0.000 0.000 0.290 175 V C 0.084 176.404 176.094 0.375 0.000 1.017 175 V CA -0.540 61.947 62.300 0.311 0.000 0.841 175 V CB 0.947 32.931 31.823 0.268 0.000 1.003 175 V HN 0.820 nan 8.190 nan 0.000 0.426 176 T N 3.736 118.520 114.554 0.383 0.000 2.824 176 T HA 0.894 5.244 4.350 -0.000 0.000 0.277 176 T C 0.486 175.439 174.700 0.421 0.000 0.975 176 T CA 0.632 62.999 62.100 0.445 0.000 0.966 176 T CB 1.361 70.435 68.868 0.343 0.000 1.054 176 T HN 1.647 nan 8.240 nan 0.000 0.533 177 G N -0.758 108.201 108.800 0.265 0.000 2.324 177 G HA2 0.543 4.503 3.960 -0.000 0.000 0.293 177 G HA3 0.543 4.503 3.960 -0.000 0.000 0.293 177 G C -2.070 172.789 174.900 -0.069 0.000 1.297 177 G CA -0.139 44.903 45.100 -0.096 0.000 0.853 177 G HN 0.899 nan 8.290 nan 0.000 0.535 178 A N -0.273 122.407 122.820 -0.232 0.000 2.427 178 A HA 0.943 5.263 4.320 -0.000 0.000 0.298 178 A C -0.080 177.408 177.584 -0.159 0.000 1.036 178 A CA -0.089 51.891 52.037 -0.095 0.000 0.701 178 A CB 1.427 20.413 19.000 -0.023 0.000 1.250 178 A HN 1.434 nan 8.150 nan 0.000 0.412 179 R N 0.689 121.145 120.500 -0.073 0.000 3.076 179 R HA 0.811 5.151 4.340 -0.000 0.000 0.239 179 R C -0.462 175.851 176.300 0.020 0.000 1.392 179 R CA -0.974 55.107 56.100 -0.032 0.000 1.044 179 R CB 0.615 30.924 30.300 0.014 0.000 1.389 179 R HN 0.415 nan 8.270 nan 0.000 0.498 180 K N 0.100 120.528 120.400 0.047 0.000 2.107 180 K HA 0.199 4.519 4.320 -0.000 0.000 0.251 180 K C -1.004 175.691 176.600 0.159 0.000 1.012 180 K CA -0.571 55.773 56.287 0.095 0.000 0.920 180 K CB 0.362 32.905 32.500 0.070 0.000 1.033 180 K HN 0.445 nan 8.250 nan 0.000 0.478 181 F N 3.113 123.129 119.950 0.109 0.000 2.484 181 F HA 0.270 4.796 4.527 -0.000 0.000 0.360 181 F C -0.565 175.323 175.800 0.147 0.000 1.101 181 F CA -0.392 57.688 58.000 0.134 0.000 1.251 181 F CB 0.343 39.464 39.000 0.202 0.000 1.132 181 F HN 0.372 nan 8.300 nan 0.000 0.570 182 L N 7.711 129.035 121.223 0.170 0.000 2.341 182 L HA 0.643 4.983 4.340 -0.000 0.000 0.278 182 L C -1.401 175.635 176.870 0.277 0.000 1.005 182 L CA -0.348 54.611 54.840 0.197 0.000 0.818 182 L CB 1.032 43.106 42.059 0.025 0.000 1.259 182 L HN 0.531 nan 8.230 nan 0.000 0.418 183 I N 4.553 125.298 120.570 0.291 0.000 2.460 183 I HA 0.624 4.794 4.170 -0.000 0.000 0.298 183 I C 0.182 176.393 176.117 0.156 0.000 0.989 183 I CA -0.872 60.565 61.300 0.228 0.000 1.173 183 I CB 1.937 40.004 38.000 0.111 0.000 1.338 183 I HN 0.790 nan 8.210 nan 0.000 0.456 184 A N 6.257 129.163 122.820 0.144 0.000 2.269 184 A HA 0.602 4.922 4.320 -0.000 0.000 0.302 184 A C -1.035 176.703 177.584 0.258 0.000 1.266 184 A CA -0.034 52.091 52.037 0.145 0.000 0.894 184 A CB 0.050 19.105 19.000 0.091 0.000 1.147 184 A HN 0.493 nan 8.150 nan 0.000 0.537 185 F N 3.147 123.119 119.950 0.037 0.000 2.529 185 F HA 0.509 5.035 4.527 -0.000 0.000 0.320 185 F C -0.904 174.925 175.800 0.047 0.000 1.118 185 F CA -1.642 56.385 58.000 0.044 0.000 0.915 185 F CB 1.982 41.010 39.000 0.047 0.000 1.161 185 F HN 0.548 nan 8.300 nan 0.000 0.445 186 N N 6.032 124.624 118.700 -0.181 0.000 2.314 186 N HA 0.545 5.285 4.740 -0.000 0.000 0.304 186 N C -1.074 174.167 175.510 -0.447 0.000 1.073 186 N CA -0.392 52.524 53.050 -0.223 0.000 0.822 186 N CB 2.517 40.984 38.487 -0.033 0.000 1.280 186 N HN 0.437 nan 8.380 nan 0.000 0.489 187 I N 1.482 121.880 120.570 -0.286 0.000 2.382 187 I HA 0.241 4.411 4.170 -0.000 0.000 0.286 187 I C -0.387 175.667 176.117 -0.105 0.000 1.002 187 I CA -0.832 60.331 61.300 -0.229 0.000 1.135 187 I CB 1.233 39.101 38.000 -0.221 0.000 1.288 187 I HN 0.128 nan 8.210 nan 0.000 0.448 188 N N 7.194 125.857 118.700 -0.062 0.000 2.405 188 N HA 0.353 5.093 4.740 -0.000 0.000 0.260 188 N C -0.722 174.755 175.510 -0.054 0.000 1.152 188 N CA 0.078 53.100 53.050 -0.046 0.000 0.948 188 N CB 0.974 39.450 38.487 -0.018 0.000 1.111 188 N HN 0.475 nan 8.380 nan 0.000 0.485 189 L N 2.312 123.489 121.223 -0.077 0.000 2.307 189 L HA 0.347 4.687 4.340 -0.000 0.000 0.284 189 L C 1.151 177.965 176.870 -0.094 0.000 1.023 189 L CA -0.515 54.278 54.840 -0.078 0.000 0.810 189 L CB 1.761 43.775 42.059 -0.074 0.000 1.231 189 L HN 0.374 nan 8.230 nan 0.000 0.423 190 L N 2.764 123.945 121.223 -0.070 0.000 2.718 190 L HA 0.031 4.371 4.340 -0.000 0.000 0.242 190 L C 1.081 177.911 176.870 -0.066 0.000 1.203 190 L CA 0.022 54.820 54.840 -0.069 0.000 1.011 190 L CB -0.548 41.486 42.059 -0.042 0.000 1.250 190 L HN 0.815 nan 8.230 nan 0.000 0.437 191 S N -2.367 113.287 115.700 -0.076 0.000 2.666 191 S HA 0.337 4.807 4.470 -0.000 0.000 0.230 191 S C 0.382 174.956 174.600 -0.044 0.000 1.146 191 S CA -0.256 57.916 58.200 -0.047 0.000 1.162 191 S CB 1.334 64.516 63.200 -0.031 0.000 1.085 191 S HN 0.117 nan 8.310 nan 0.000 0.514 192 T N -1.228 113.325 114.554 -0.001 0.000 2.907 192 T HA 0.425 4.775 4.350 -0.000 0.000 0.292 192 T C 0.586 175.336 174.700 0.082 0.000 1.043 192 T CA -0.669 61.468 62.100 0.063 0.000 1.003 192 T CB 1.614 70.526 68.868 0.073 0.000 1.084 192 T HN 0.711 nan 8.240 nan 0.000 0.483 193 K N 1.620 122.131 120.400 0.185 0.000 2.113 193 K HA -0.190 4.130 4.320 -0.000 0.000 0.208 193 K C 1.622 178.304 176.600 0.136 0.000 1.047 193 K CA 2.263 58.661 56.287 0.184 0.000 0.928 193 K CB -0.028 32.614 32.500 0.237 0.000 0.716 193 K HN 0.690 nan 8.250 nan 0.000 0.446 194 E N 0.409 120.672 120.200 0.104 0.000 2.028 194 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 194 E C 2.179 178.850 176.600 0.118 0.000 0.988 194 E CA 1.615 58.074 56.400 0.099 0.000 0.799 194 E CB -0.010 29.728 29.700 0.063 0.000 0.755 194 E HN 0.350 nan 8.360 nan 0.000 0.447 195 Q N 0.074 119.922 119.800 0.079 0.000 2.030 195 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 195 Q C 2.307 178.341 176.000 0.058 0.000 0.986 195 Q CA 1.565 57.401 55.803 0.055 0.000 0.843 195 Q CB -0.344 28.412 28.738 0.029 0.000 0.904 195 Q HN 0.314 nan 8.270 nan 0.000 0.420 196 A N 0.611 123.469 122.820 0.062 0.000 1.892 196 A HA -0.301 4.019 4.320 -0.000 0.000 0.218 196 A C 1.822 179.460 177.584 0.090 0.000 1.188 196 A CA 2.156 54.225 52.037 0.055 0.000 0.631 196 A CB -0.974 18.056 19.000 0.051 0.000 0.822 196 A HN 0.532 nan 8.150 nan 0.000 0.447 197 H N -0.593 118.507 119.070 0.050 0.000 2.389 197 H HA -0.076 4.480 4.556 -0.000 0.000 0.299 197 H C 2.182 177.532 175.328 0.036 0.000 1.081 197 H CA 1.788 57.870 56.048 0.057 0.000 1.345 197 H CB -0.129 29.677 29.762 0.073 0.000 1.393 197 H HN 0.491 nan 8.280 nan 0.000 0.520 198 R N 0.490 121.014 120.500 0.040 0.000 2.113 198 R HA -0.156 4.183 4.340 -0.000 0.000 0.231 198 R C 2.245 178.499 176.300 -0.076 0.000 1.129 198 R CA 2.226 58.311 56.100 -0.026 0.000 0.915 198 R CB -0.599 29.716 30.300 0.024 0.000 0.837 198 R HN 0.428 nan 8.270 nan 0.000 0.430 199 I N 0.912 121.456 120.570 -0.043 0.000 2.147 199 I HA -0.381 3.789 4.170 -0.000 0.000 0.245 199 I C 2.564 178.636 176.117 -0.075 0.000 1.059 199 I CA 1.798 63.068 61.300 -0.051 0.000 1.320 199 I CB -0.529 37.446 38.000 -0.042 0.000 1.021 199 I HN 0.473 nan 8.210 nan 0.000 0.415 200 A N 0.395 123.153 122.820 -0.102 0.000 1.930 200 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 200 A C 2.242 179.738 177.584 -0.147 0.000 1.175 200 A CA 1.235 53.203 52.037 -0.114 0.000 0.627 200 A CB -0.703 18.232 19.000 -0.108 0.000 0.815 200 A HN 0.417 nan 8.150 nan 0.000 0.443 201 L N -0.364 120.721 121.223 -0.230 0.000 2.191 201 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 201 L C 2.149 178.964 176.870 -0.092 0.000 1.103 201 L CA 1.429 56.159 54.840 -0.182 0.000 0.769 201 L CB -0.479 41.456 42.059 -0.206 0.000 0.908 201 L HN 0.512 nan 8.230 nan 0.000 0.438 202 N N -0.727 117.926 118.700 -0.078 0.000 2.300 202 N HA -0.058 4.682 4.740 -0.000 0.000 0.179 202 N C 1.781 177.269 175.510 -0.037 0.000 1.016 202 N CA 0.555 53.576 53.050 -0.047 0.000 0.876 202 N CB 0.155 38.619 38.487 -0.040 0.000 0.979 202 N HN 0.264 nan 8.380 nan 0.000 0.432 203 L N 1.179 122.377 121.223 -0.042 0.000 2.071 203 L HA 0.026 4.366 4.340 -0.000 0.000 0.201 203 L C 1.002 177.859 176.870 -0.021 0.000 1.076 203 L CA 0.233 55.057 54.840 -0.027 0.000 0.755 203 L CB -0.458 41.587 42.059 -0.023 0.000 0.915 203 L HN 0.187 nan 8.230 nan 0.000 0.445 204 R N 1.180 121.664 120.500 -0.026 0.000 2.697 204 R HA -0.130 4.210 4.340 -0.000 0.000 0.265 204 R C 0.927 177.221 176.300 -0.011 0.000 1.009 204 R CA 0.345 56.437 56.100 -0.014 0.000 1.099 204 R CB 0.298 30.588 30.300 -0.017 0.000 0.965 204 R HN 0.214 nan 8.270 nan 0.000 0.428 205 E N 1.255 121.455 120.200 -0.001 0.000 2.152 205 E HA -0.261 4.089 4.350 -0.000 0.000 0.192 205 E C 1.609 178.210 176.600 0.001 0.000 0.983 205 E CA 0.935 57.335 56.400 0.000 0.000 0.818 205 E CB 0.151 29.854 29.700 0.005 0.000 0.758 205 E HN 0.810 nan 8.360 nan 0.000 0.467 206 Q N 0.136 119.938 119.800 0.004 0.000 2.230 206 Q HA -0.027 4.313 4.340 -0.000 0.000 0.202 206 Q C 0.815 176.816 176.000 0.003 0.000 0.963 206 Q CA 0.820 56.627 55.803 0.007 0.000 0.866 206 Q CB -0.025 28.721 28.738 0.013 0.000 0.931 206 Q HN 0.347 nan 8.270 nan 0.000 0.452 207 G N 1.097 109.893 108.800 -0.006 0.000 2.697 207 G HA2 -0.325 3.634 3.960 -0.000 0.000 0.240 207 G HA3 -0.325 3.634 3.960 -0.000 0.000 0.240 207 G C -0.884 174.011 174.900 -0.008 0.000 1.346 207 G CA -0.138 44.955 45.100 -0.013 0.000 0.887 207 G HN 0.451 nan 8.290 nan 0.000 0.569 208 R N 1.472 121.968 120.500 -0.007 0.000 2.459 208 R HA 0.426 4.766 4.340 -0.000 0.000 0.301 208 R C 1.344 177.654 176.300 0.016 0.000 1.286 208 R CA 1.071 57.175 56.100 0.006 0.000 1.046 208 R CB -0.516 29.788 30.300 0.006 0.000 1.071 208 R HN 2.114 nan 8.270 nan 0.000 0.512 209 G N 2.308 111.122 108.800 0.023 0.000 2.512 209 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.254 209 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.254 209 G C 0.271 175.182 174.900 0.018 0.000 1.199 209 G CA -0.295 44.819 45.100 0.024 0.000 0.941 209 G HN 0.395 nan 8.290 nan 0.000 0.569 210 K N 0.925 121.334 120.400 0.016 0.000 2.401 210 K HA 0.140 4.460 4.320 -0.000 0.000 0.176 210 K C 0.952 177.558 176.600 0.009 0.000 1.109 210 K CA 0.420 56.715 56.287 0.013 0.000 1.146 210 K CB -0.943 31.564 32.500 0.012 0.000 1.600 210 K HN 0.762 nan 8.250 nan 0.000 0.474 211 D N 2.129 122.534 120.400 0.008 0.000 2.982 211 D HA -0.188 4.452 4.640 -0.000 0.000 0.222 211 D C -0.246 176.057 176.300 0.005 0.000 1.124 211 D CA 1.177 55.180 54.000 0.006 0.000 0.810 211 D CB 0.010 40.813 40.800 0.006 0.000 1.152 211 D HN 0.339 nan 8.370 nan 0.000 0.538 212 Q N 1.954 121.756 119.800 0.004 0.000 2.199 212 Q HA -0.093 4.247 4.340 -0.000 0.000 0.282 212 Q C -2.493 173.507 176.000 0.000 0.000 1.163 212 Q CA -0.414 55.390 55.803 0.002 0.000 0.581 212 Q CB -0.586 28.153 28.738 0.002 0.000 0.911 212 Q HN 0.450 nan 8.270 nan 0.000 0.335 213 P HA 0.142 nan 4.420 nan 0.000 0.272 213 P C 0.616 177.912 177.300 -0.007 0.000 1.254 213 P CA 0.555 63.653 63.100 -0.003 0.000 0.795 213 P CB 0.269 31.968 31.700 -0.002 0.000 1.022 214 G N 0.101 108.895 108.800 -0.010 0.000 2.504 214 G HA2 0.115 4.075 3.960 -0.000 0.000 0.257 214 G HA3 0.115 4.075 3.960 -0.000 0.000 0.257 214 G C 0.978 175.871 174.900 -0.012 0.000 1.451 214 G CA -0.314 44.777 45.100 -0.015 0.000 1.059 214 G HN 0.383 nan 8.290 nan 0.000 0.550 215 R N -1.351 119.141 120.500 -0.014 0.000 2.072 215 R HA 0.180 4.520 4.340 -0.000 0.000 0.214 215 R C 0.665 176.958 176.300 -0.013 0.000 1.168 215 R CA -0.004 56.089 56.100 -0.012 0.000 1.020 215 R CB -0.526 29.767 30.300 -0.012 0.000 0.914 215 R HN 0.269 nan 8.270 nan 0.000 0.449 216 L N 3.248 124.464 121.223 -0.013 0.000 2.410 216 L HA 0.148 4.488 4.340 -0.000 0.000 0.273 216 L C 0.163 177.027 176.870 -0.010 0.000 1.144 216 L CA -0.172 54.660 54.840 -0.014 0.000 0.863 216 L CB 0.264 42.317 42.059 -0.010 0.000 1.140 216 L HN -0.111 nan 8.230 nan 0.000 0.463 217 K N 3.913 124.305 120.400 -0.014 0.000 2.270 217 K HA 0.151 4.470 4.320 -0.000 0.000 0.276 217 K C 0.367 176.963 176.600 -0.006 0.000 1.023 217 K CA -0.531 55.751 56.287 -0.010 0.000 0.955 217 K CB 0.736 33.227 32.500 -0.015 0.000 0.975 217 K HN 0.445 nan 8.250 nan 0.000 0.471 218 K N -0.641 119.760 120.400 0.002 0.000 3.088 218 K HA -0.156 4.164 4.320 -0.000 0.000 0.273 218 K C -0.639 175.975 176.600 0.024 0.000 1.111 218 K CA 0.453 56.747 56.287 0.012 0.000 0.803 218 K CB -1.901 30.602 32.500 0.005 0.000 1.226 218 K HN 0.357 nan 8.250 nan 0.000 0.485 219 V N 1.443 121.371 119.914 0.023 0.000 2.409 219 V HA 0.264 4.384 4.120 -0.000 0.000 0.291 219 V C 0.409 176.520 176.094 0.029 0.000 1.020 219 V CA -0.596 61.725 62.300 0.036 0.000 0.848 219 V CB 1.809 33.653 31.823 0.035 0.000 0.990 219 V HN 0.278 nan 8.190 nan 0.000 0.430 220 Q N 3.838 123.659 119.800 0.036 0.000 2.348 220 Q HA 0.859 5.198 4.340 -0.000 0.000 0.271 220 Q C -0.379 175.636 176.000 0.024 0.000 1.067 220 Q CA -0.195 55.624 55.803 0.026 0.000 0.839 220 Q CB 2.710 31.464 28.738 0.028 0.000 1.354 220 Q HN 0.931 nan 8.270 nan 0.000 0.447 221 G N 1.512 110.320 108.800 0.014 0.000 2.313 221 G HA2 0.408 4.368 3.960 -0.000 0.000 0.296 221 G HA3 0.408 4.368 3.960 -0.000 0.000 0.296 221 G C -1.438 173.472 174.900 0.017 0.000 1.356 221 G CA -0.240 44.866 45.100 0.011 0.000 0.833 221 G HN 1.026 nan 8.290 nan 0.000 0.552 222 I N -2.984 117.611 120.570 0.042 0.000 3.458 222 I HA 0.941 5.111 4.170 -0.000 0.000 0.316 222 I C 0.225 176.462 176.117 0.199 0.000 1.202 222 I CA -1.209 60.169 61.300 0.129 0.000 0.929 222 I CB 1.724 39.859 38.000 0.225 0.000 1.340 222 I HN 1.056 nan 8.210 nan 0.000 0.481 223 G N 0.885 109.936 108.800 0.419 0.000 2.356 223 G HA2 0.487 4.447 3.960 -0.000 0.000 0.298 223 G HA3 0.487 4.447 3.960 -0.000 0.000 0.298 223 G C -1.648 173.529 174.900 0.462 0.000 1.145 223 G CA -0.425 44.907 45.100 0.387 0.000 0.850 223 G HN 0.758 nan 8.290 nan 0.000 0.487 224 W N 2.430 123.789 121.300 0.100 0.000 3.074 224 W HA 0.578 5.238 4.660 -0.001 0.000 0.332 224 W C -2.440 174.152 176.519 0.121 0.000 1.253 224 W CA -1.151 56.252 57.345 0.097 0.000 1.180 224 W CB 2.101 31.600 29.460 0.064 0.000 1.445 224 W HN 0.455 nan 8.180 nan 0.000 0.573 225 Y N 3.915 123.776 120.300 -0.731 0.000 2.332 225 Y HA 0.364 4.913 4.550 -0.000 0.000 0.325 225 Y C -0.784 174.749 175.900 -0.611 0.000 1.054 225 Y CA -0.825 56.978 58.100 -0.494 0.000 1.119 225 Y CB 1.192 39.435 38.460 -0.361 0.000 1.168 225 Y HN 0.199 nan 8.280 nan 0.000 0.439 226 L N 6.266 127.425 121.223 -0.107 0.000 2.433 226 L HA 0.062 4.402 4.340 -0.000 0.000 0.275 226 L C 0.992 177.958 176.870 0.160 0.000 1.128 226 L CA 0.066 54.907 54.840 0.002 0.000 0.875 226 L CB 0.753 42.818 42.059 0.010 0.000 1.171 226 L HN 0.786 nan 8.230 nan 0.000 0.463 227 E N 2.626 122.856 120.200 0.050 0.000 2.028 227 E HA -0.217 4.133 4.350 -0.000 0.000 0.191 227 E C 1.753 178.380 176.600 0.046 0.000 0.988 227 E CA 1.633 58.042 56.400 0.015 0.000 0.799 227 E CB 0.061 29.719 29.700 -0.069 0.000 0.755 227 E HN 0.792 nan 8.360 nan 0.000 0.447 228 E N 0.454 120.674 120.200 0.033 0.000 2.268 228 E HA -0.107 4.243 4.350 -0.000 0.000 0.195 228 E C 1.449 178.072 176.600 0.037 0.000 0.995 228 E CA 0.854 57.270 56.400 0.028 0.000 0.836 228 E CB 0.041 29.754 29.700 0.022 0.000 0.763 228 E HN -0.059 nan 8.360 nan 0.000 0.491 229 K N 0.197 120.625 120.400 0.048 0.000 2.354 229 K HA 0.088 4.408 4.320 -0.000 0.000 0.194 229 K C 0.248 176.871 176.600 0.038 0.000 1.038 229 K CA 0.212 56.517 56.287 0.030 0.000 1.052 229 K CB 0.188 32.694 32.500 0.010 0.000 0.861 229 K HN 0.072 nan 8.250 nan 0.000 0.535 230 N N 0.318 119.090 118.700 0.120 0.000 2.782 230 N HA -0.195 4.545 4.740 -0.000 0.000 0.251 230 N C -1.116 174.378 175.510 -0.027 0.000 1.101 230 N CA 0.407 53.586 53.050 0.216 0.000 0.764 230 N CB -1.143 37.413 38.487 0.115 0.000 1.122 230 N HN 0.176 nan 8.380 nan 0.000 0.561 231 L N -0.254 120.808 121.223 -0.269 0.000 2.341 231 L HA 0.840 5.180 4.340 -0.000 0.000 0.278 231 L C 0.236 176.670 176.870 -0.726 0.000 1.005 231 L CA -0.483 54.112 54.840 -0.409 0.000 0.818 231 L CB 1.440 43.394 42.059 -0.175 0.000 1.259 231 L HN 0.128 nan 8.230 nan 0.000 0.418 232 A N 4.404 126.809 122.820 -0.691 0.000 2.287 232 A HA 0.726 5.046 4.320 -0.000 0.000 0.273 232 A C -0.648 176.806 177.584 -0.218 0.000 1.091 232 A CA -0.266 51.438 52.037 -0.556 0.000 0.817 232 A CB 0.529 19.321 19.000 -0.346 0.000 1.069 232 A HN 0.769 nan 8.150 nan 0.000 0.492 233 Q N -0.285 119.479 119.800 -0.059 0.000 2.284 233 Q HA 0.413 4.753 4.340 -0.000 0.000 0.269 233 Q C -1.684 174.372 176.000 0.093 0.000 1.026 233 Q CA -0.705 55.122 55.803 0.041 0.000 0.831 233 Q CB 2.478 31.307 28.738 0.151 0.000 1.322 233 Q HN 0.462 nan 8.270 nan 0.000 0.419 234 V N 2.147 122.073 119.914 0.020 0.000 2.338 234 V HA 0.154 4.274 4.120 -0.000 0.000 0.255 234 V C 0.120 176.211 176.094 -0.006 0.000 1.082 234 V CA -0.085 62.223 62.300 0.012 0.000 0.951 234 V CB 0.715 32.513 31.823 -0.042 0.000 1.102 234 V HN 0.654 nan 8.190 nan 0.000 0.489 235 S N 4.858 120.585 115.700 0.045 0.000 2.475 235 S HA 0.683 5.153 4.470 -0.000 0.000 0.281 235 S C 0.152 174.747 174.600 -0.008 0.000 1.198 235 S CA -0.222 57.978 58.200 0.001 0.000 1.063 235 S CB 0.729 63.903 63.200 -0.043 0.000 0.972 235 S HN 0.929 nan 8.310 nan 0.000 0.486 236 T N 2.167 116.727 114.554 0.010 0.000 2.883 236 T HA 0.577 4.926 4.350 -0.000 0.000 0.296 236 T C -1.253 173.500 174.700 0.089 0.000 1.117 236 T CA -1.103 61.027 62.100 0.050 0.000 1.006 236 T CB 1.353 70.268 68.868 0.078 0.000 1.191 236 T HN 0.508 nan 8.240 nan 0.000 0.508 237 N N 1.144 119.894 118.700 0.082 0.000 2.448 237 N HA 0.421 5.161 4.740 -0.000 0.000 0.279 237 N C -1.388 174.186 175.510 0.107 0.000 1.025 237 N CA -0.548 52.559 53.050 0.095 0.000 0.898 237 N CB 1.636 40.158 38.487 0.059 0.000 1.303 237 N HN 0.477 nan 8.380 nan 0.000 0.495 238 L N 2.738 124.042 121.223 0.135 0.000 2.369 238 L HA 0.218 4.557 4.340 -0.000 0.000 0.279 238 L C 1.678 178.630 176.870 0.136 0.000 1.108 238 L CA 0.254 55.170 54.840 0.126 0.000 0.852 238 L CB 0.535 42.670 42.059 0.126 0.000 1.169 238 L HN 0.488 nan 8.230 nan 0.000 0.452 239 L N 2.027 123.310 121.223 0.100 0.000 2.418 239 L HA 0.139 4.479 4.340 -0.000 0.000 0.218 239 L C 0.079 177.009 176.870 0.100 0.000 1.125 239 L CA 0.566 55.462 54.840 0.095 0.000 0.835 239 L CB 0.186 42.282 42.059 0.063 0.000 0.953 239 L HN 0.666 nan 8.230 nan 0.000 0.454 240 D N -1.083 119.367 120.400 0.084 0.000 2.312 240 D HA 0.018 4.658 4.640 -0.000 0.000 0.229 240 D C 0.485 176.755 176.300 -0.051 0.000 1.337 240 D CA -0.508 53.497 54.000 0.009 0.000 0.964 240 D CB 0.383 41.149 40.800 -0.057 0.000 1.456 240 D HN 0.082 nan 8.370 nan 0.000 0.547 241 F N 1.598 121.538 119.950 -0.017 0.000 2.664 241 F HA 0.135 4.662 4.527 0.000 0.000 0.297 241 F C 1.384 177.140 175.800 -0.073 0.000 1.164 241 F CA 0.412 58.372 58.000 -0.068 0.000 1.472 241 F CB -0.002 38.940 39.000 -0.097 0.000 1.108 241 F HN 0.104 nan 8.300 nan 0.000 0.596 242 E N 1.149 121.035 120.200 -0.523 0.000 2.140 242 E HA -0.026 4.324 4.350 -0.000 0.000 0.191 242 E C 2.434 178.924 176.600 -0.182 0.000 0.973 242 E CA 1.106 57.284 56.400 -0.370 0.000 0.829 242 E CB -0.325 29.112 29.700 -0.438 0.000 0.781 242 E HN 0.494 nan 8.360 nan 0.000 0.466 243 V N 0.874 120.696 119.914 -0.153 0.000 2.273 243 V HA -0.035 4.085 4.120 -0.000 0.000 0.242 243 V C 1.261 177.304 176.094 -0.086 0.000 1.035 243 V CA 1.199 63.441 62.300 -0.096 0.000 1.013 243 V CB -0.371 31.408 31.823 -0.073 0.000 0.652 243 V HN 0.050 nan 8.190 nan 0.000 0.452 244 T N 1.293 115.800 114.554 -0.078 0.000 2.770 244 T HA 0.728 5.078 4.350 -0.000 0.000 0.283 244 T C -0.082 174.549 174.700 -0.115 0.000 0.988 244 T CA 0.025 62.070 62.100 -0.093 0.000 0.957 244 T CB 1.382 70.218 68.868 -0.053 0.000 0.930 244 T HN 0.552 nan 8.240 nan 0.000 0.443 245 A N 2.942 125.614 122.820 -0.246 0.000 2.272 245 A HA 0.565 4.885 4.320 -0.000 0.000 0.275 245 A C 1.560 178.945 177.584 -0.332 0.000 1.096 245 A CA -0.567 51.264 52.037 -0.344 0.000 0.822 245 A CB 0.167 18.734 19.000 -0.723 0.000 1.088 245 A HN 0.963 nan 8.150 nan 0.000 0.495 246 L N -0.416 120.651 121.223 -0.260 0.000 2.131 246 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 246 L C 2.335 179.144 176.870 -0.101 0.000 1.092 246 L CA 2.290 56.980 54.840 -0.250 0.000 0.759 246 L CB -0.484 41.379 42.059 -0.328 0.000 0.903 246 L HN 1.099 nan 8.230 nan 0.000 0.435 247 H N -3.464 115.601 119.070 -0.009 0.000 2.431 247 H HA -0.029 4.527 4.556 -0.000 0.000 0.295 247 H C 2.119 177.480 175.328 0.054 0.000 1.038 247 H CA 1.068 57.172 56.048 0.093 0.000 1.360 247 H CB -0.905 28.829 29.762 -0.047 0.000 1.433 247 H HN 0.160 nan 8.280 nan 0.000 0.536 248 T N -0.851 113.402 114.554 -0.502 0.000 2.881 248 T HA -0.103 4.247 4.350 -0.000 0.000 0.270 248 T C 1.977 176.650 174.700 -0.045 0.000 1.068 248 T CA 0.899 62.862 62.100 -0.228 0.000 1.131 248 T CB -0.775 67.899 68.868 -0.323 0.000 0.871 248 T HN 0.174 nan 8.240 nan 0.000 0.479 249 V N 0.753 120.676 119.914 0.015 0.000 2.216 249 V HA -0.124 3.996 4.120 -0.000 0.000 0.242 249 V C 2.097 178.309 176.094 0.198 0.000 1.042 249 V CA 1.809 64.187 62.300 0.130 0.000 0.991 249 V CB -0.904 31.066 31.823 0.245 0.000 0.633 249 V HN 0.465 nan 8.190 nan 0.000 0.449 250 Y N 1.216 121.663 120.300 0.244 0.000 1.967 250 Y HA -0.346 4.204 4.550 -0.000 0.000 0.260 250 Y C 2.661 178.652 175.900 0.152 0.000 1.181 250 Y CA 2.477 60.706 58.100 0.214 0.000 1.097 250 Y CB -0.401 38.265 38.460 0.345 0.000 0.934 250 Y HN 0.288 nan 8.280 nan 0.000 0.492 251 E N -0.007 120.387 120.200 0.325 0.000 2.273 251 E HA -0.233 4.117 4.350 -0.000 0.000 0.198 251 E C 1.987 178.619 176.600 0.052 0.000 1.002 251 E CA 1.491 58.017 56.400 0.210 0.000 0.828 251 E CB -0.183 29.713 29.700 0.327 0.000 0.747 251 E HN 0.597 nan 8.360 nan 0.000 0.491 252 E N 0.342 120.556 120.200 0.023 0.000 2.042 252 E HA 0.056 4.406 4.350 -0.000 0.000 0.189 252 E C 1.916 178.484 176.600 -0.052 0.000 0.974 252 E CA 1.143 57.538 56.400 -0.009 0.000 0.806 252 E CB -0.304 29.395 29.700 -0.002 0.000 0.769 252 E HN 0.120 nan 8.360 nan 0.000 0.451 253 A N 1.489 124.260 122.820 -0.083 0.000 1.917 253 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 253 A C 2.171 179.655 177.584 -0.166 0.000 1.182 253 A CA 1.696 53.660 52.037 -0.122 0.000 0.633 253 A CB -0.590 18.320 19.000 -0.151 0.000 0.819 253 A HN 0.103 nan 8.150 nan 0.000 0.448 254 R N -0.373 119.977 120.500 -0.251 0.000 2.113 254 R HA -0.178 4.161 4.340 -0.000 0.000 0.244 254 R C 2.333 178.574 176.300 -0.098 0.000 1.142 254 R CA 2.139 58.106 56.100 -0.221 0.000 0.953 254 R CB -0.562 29.597 30.300 -0.236 0.000 0.860 254 R HN 0.647 nan 8.270 nan 0.000 0.438 255 R N 0.001 120.466 120.500 -0.057 0.000 2.066 255 R HA -0.110 4.230 4.340 -0.000 0.000 0.232 255 R C 2.214 178.496 176.300 -0.031 0.000 1.131 255 R CA 1.108 57.193 56.100 -0.026 0.000 0.955 255 R CB -0.342 29.955 30.300 -0.005 0.000 0.851 255 R HN 0.090 nan 8.270 nan 0.000 0.432 256 E N 0.712 120.888 120.200 -0.040 0.000 2.164 256 E HA -0.260 4.090 4.350 -0.000 0.000 0.206 256 E C 1.727 178.304 176.600 -0.039 0.000 1.032 256 E CA 2.125 58.502 56.400 -0.039 0.000 0.832 256 E CB -0.194 29.477 29.700 -0.049 0.000 0.742 256 E HN 0.411 nan 8.360 nan 0.000 0.460 257 A N -0.264 122.525 122.820 -0.052 0.000 1.935 257 A HA -0.087 4.233 4.320 -0.000 0.000 0.214 257 A C 1.953 179.517 177.584 -0.034 0.000 1.178 257 A CA 1.089 53.097 52.037 -0.047 0.000 0.640 257 A CB -0.313 18.647 19.000 -0.067 0.000 0.825 257 A HN 0.278 nan 8.150 nan 0.000 0.447 258 Q N -0.323 119.457 119.800 -0.033 0.000 2.500 258 Q HA -0.116 4.224 4.340 -0.000 0.000 0.213 258 Q C 1.366 177.359 176.000 -0.012 0.000 0.974 258 Q CA 1.083 56.875 55.803 -0.019 0.000 0.918 258 Q CB -0.052 28.678 28.738 -0.013 0.000 0.980 258 Q HN 0.744 nan 8.270 nan 0.000 0.505 259 E N 0.070 120.262 120.200 -0.014 0.000 2.299 259 E HA -0.020 4.329 4.350 -0.000 0.000 0.193 259 E C 0.851 177.446 176.600 -0.008 0.000 0.998 259 E CA 0.557 56.952 56.400 -0.009 0.000 0.851 259 E CB 0.407 30.101 29.700 -0.009 0.000 0.795 259 E HN 0.291 nan 8.360 nan 0.000 0.492 260 L N -0.282 120.935 121.223 -0.011 0.000 2.959 260 L HA 0.294 4.634 4.340 -0.000 0.000 0.259 260 L C -0.327 176.538 176.870 -0.008 0.000 1.185 260 L CA -0.264 54.571 54.840 -0.008 0.000 0.998 260 L CB -0.204 41.850 42.059 -0.008 0.000 1.337 260 L HN 0.027 nan 8.230 nan 0.000 0.555 261 N N 1.542 120.236 118.700 -0.010 0.000 2.738 261 N HA -0.160 4.580 4.740 -0.000 0.000 0.249 261 N C -0.868 174.635 175.510 -0.011 0.000 1.047 261 N CA 0.102 53.146 53.050 -0.009 0.000 0.707 261 N CB -1.002 37.482 38.487 -0.005 0.000 0.937 261 N HN 0.310 nan 8.380 nan 0.000 0.545 262 L N -0.017 121.195 121.223 -0.018 0.000 2.362 262 L HA 0.654 4.994 4.340 -0.000 0.000 0.275 262 L C -2.152 174.702 176.870 -0.028 0.000 0.998 262 L CA -1.921 52.907 54.840 -0.022 0.000 0.820 262 L CB 1.622 43.666 42.059 -0.025 0.000 1.270 262 L HN -0.162 nan 8.230 nan 0.000 0.415 263 P HA 0.177 nan 4.420 nan 0.000 0.280 263 P C -0.695 176.582 177.300 -0.038 0.000 1.244 263 P CA -0.288 62.796 63.100 -0.026 0.000 0.784 263 P CB 1.760 33.450 31.700 -0.017 0.000 0.913 264 V N 4.189 124.076 119.914 -0.045 0.000 2.394 264 V HA 0.174 4.294 4.120 -0.000 0.000 0.282 264 V C 0.857 176.951 176.094 0.001 0.000 1.031 264 V CA -0.400 61.867 62.300 -0.055 0.000 0.881 264 V CB 1.621 33.362 31.823 -0.137 0.000 0.982 264 V HN 0.478 nan 8.190 nan 0.000 0.451 265 V N 3.131 123.054 119.914 0.015 0.000 2.435 265 V HA 0.871 4.991 4.120 -0.000 0.000 0.263 265 V C 0.564 176.698 176.094 0.067 0.000 1.087 265 V CA 0.315 62.636 62.300 0.037 0.000 1.253 265 V CB -0.465 31.361 31.823 0.006 0.000 1.462 265 V HN 1.373 nan 8.190 nan 0.000 0.547 266 G N 2.308 111.203 108.800 0.158 0.000 2.553 266 G HA2 0.127 4.086 3.960 -0.000 0.000 0.242 266 G HA3 0.127 4.086 3.960 -0.000 0.000 0.242 266 G C -0.036 174.959 174.900 0.158 0.000 1.277 266 G CA 0.464 45.663 45.100 0.165 0.000 0.910 266 G HN 2.437 nan 8.290 nan 0.000 0.576 267 S N -1.475 114.258 115.700 0.055 0.000 2.655 267 S HA 0.692 5.162 4.470 -0.000 0.000 0.266 267 S C -1.097 173.532 174.600 0.048 0.000 1.149 267 S CA 0.476 58.671 58.200 -0.009 0.000 0.818 267 S CB 1.770 64.944 63.200 -0.043 0.000 1.130 267 S HN 2.239 nan 8.310 nan 0.000 0.476 268 Q N 0.518 120.365 119.800 0.079 0.000 2.340 268 Q HA 0.665 5.005 4.340 -0.000 0.000 0.276 268 Q C -1.911 174.277 176.000 0.313 0.000 1.048 268 Q CA -1.007 54.898 55.803 0.169 0.000 0.832 268 Q CB 1.559 30.369 28.738 0.121 0.000 1.373 268 Q HN 0.716 nan 8.270 nan 0.000 0.409 269 L N 2.185 123.586 121.223 0.297 0.000 2.312 269 L HA 0.542 4.882 4.340 -0.000 0.000 0.281 269 L C -0.657 176.340 176.870 0.211 0.000 1.070 269 L CA -0.978 54.027 54.840 0.275 0.000 0.805 269 L CB 1.762 43.934 42.059 0.189 0.000 1.174 269 L HN 0.499 nan 8.230 nan 0.000 0.434 270 V N 3.384 123.401 119.914 0.171 0.000 2.357 270 V HA 0.772 4.892 4.120 -0.000 0.000 0.284 270 V C 0.638 176.786 176.094 0.090 0.000 1.018 270 V CA 0.388 62.756 62.300 0.114 0.000 0.841 270 V CB 0.602 32.477 31.823 0.086 0.000 0.991 270 V HN 1.065 nan 8.190 nan 0.000 0.437 271 G N 5.086 113.927 108.800 0.069 0.000 2.484 271 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.225 271 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.225 271 G C -0.768 174.174 174.900 0.069 0.000 1.250 271 G CA -0.282 44.849 45.100 0.051 0.000 0.926 271 G HN 0.693 nan 8.290 nan 0.000 0.581 272 L N -0.122 121.157 121.223 0.093 0.000 2.334 272 L HA 0.795 5.135 4.340 -0.000 0.000 0.275 272 L C 0.438 177.429 176.870 0.203 0.000 1.036 272 L CA -1.065 53.846 54.840 0.119 0.000 0.807 272 L CB 1.708 43.841 42.059 0.123 0.000 1.231 272 L HN 0.779 nan 8.230 nan 0.000 0.438 273 V N 3.081 123.032 119.914 0.061 0.000 2.735 273 V HA 0.648 4.768 4.120 -0.000 0.000 0.310 273 V C -2.484 173.412 176.094 -0.330 0.000 1.061 273 V CA -2.145 60.078 62.300 -0.128 0.000 0.913 273 V CB 2.699 34.464 31.823 -0.098 0.000 1.005 273 V HN 0.527 nan 8.190 nan 0.000 0.428 274 P HA 0.254 nan 4.420 nan 0.000 0.279 274 P C 0.493 177.528 177.300 -0.443 0.000 1.239 274 P CA -0.350 62.370 63.100 -0.633 0.000 0.789 274 P CB 1.188 32.297 31.700 -0.985 0.000 0.933 275 L N 3.831 124.914 121.223 -0.232 0.000 1.990 275 L HA -0.203 4.137 4.340 -0.000 0.000 0.213 275 L C 2.193 178.978 176.870 -0.142 0.000 1.072 275 L CA 2.059 56.820 54.840 -0.131 0.000 0.755 275 L CB -0.952 41.121 42.059 0.024 0.000 0.889 275 L HN 0.331 nan 8.230 nan 0.000 0.432 276 K N -0.727 119.600 120.400 -0.123 0.000 2.020 276 K HA -0.278 4.042 4.320 -0.000 0.000 0.212 276 K C 2.019 178.565 176.600 -0.089 0.000 1.050 276 K CA 1.753 58.027 56.287 -0.022 0.000 0.929 276 K CB -0.485 32.111 32.500 0.159 0.000 0.714 276 K HN 0.508 nan 8.250 nan 0.000 0.443 277 A N 1.476 124.014 122.820 -0.469 0.000 1.906 277 A HA -0.245 4.075 4.320 -0.000 0.000 0.222 277 A C 2.026 179.494 177.584 -0.193 0.000 1.282 277 A CA 2.615 54.348 52.037 -0.507 0.000 0.675 277 A CB -0.890 17.532 19.000 -0.963 0.000 0.838 277 A HN 0.493 nan 8.150 nan 0.000 0.469 278 L N -3.227 117.872 121.223 -0.206 0.000 2.592 278 L HA 0.401 4.741 4.340 -0.000 0.000 0.227 278 L C 1.727 178.579 176.870 -0.031 0.000 1.127 278 L CA 0.841 55.611 54.840 -0.118 0.000 0.884 278 L CB -0.178 41.777 42.059 -0.173 0.000 1.065 278 L HN 0.263 nan 8.230 nan 0.000 0.457 279 L N -0.531 120.682 121.223 -0.017 0.000 2.307 279 L HA 0.053 4.392 4.340 -0.000 0.000 0.211 279 L C 1.682 178.594 176.870 0.070 0.000 1.099 279 L CA 0.565 55.425 54.840 0.033 0.000 0.816 279 L CB -0.064 42.016 42.059 0.036 0.000 0.952 279 L HN 0.315 nan 8.230 nan 0.000 0.455 280 D N 0.210 120.665 120.400 0.092 0.000 2.120 280 D HA -0.112 4.528 4.640 -0.000 0.000 0.202 280 D C 2.172 178.556 176.300 0.140 0.000 0.972 280 D CA 1.235 55.311 54.000 0.126 0.000 0.837 280 D CB -0.112 40.787 40.800 0.166 0.000 0.989 280 D HN 0.282 nan 8.370 nan 0.000 0.469 281 A N 2.004 124.943 122.820 0.199 0.000 1.882 281 A HA -0.286 4.034 4.320 -0.000 0.000 0.220 281 A C 2.399 180.085 177.584 0.170 0.000 1.253 281 A CA 3.432 55.612 52.037 0.239 0.000 0.664 281 A CB -1.247 17.908 19.000 0.258 0.000 0.838 281 A HN 0.274 nan 8.150 nan 0.000 0.460 282 A N -0.516 122.405 122.820 0.169 0.000 1.870 282 A HA -0.055 4.265 4.320 -0.000 0.000 0.219 282 A C 2.609 180.267 177.584 0.123 0.000 1.224 282 A CA 3.435 55.567 52.037 0.159 0.000 0.650 282 A CB -1.440 17.614 19.000 0.090 0.000 0.836 282 A HN 1.554 nan 8.150 nan 0.000 0.454 283 A N -1.783 121.087 122.820 0.084 0.000 1.978 283 A HA -0.073 4.247 4.320 -0.000 0.000 0.220 283 A C 2.019 179.615 177.584 0.019 0.000 1.170 283 A CA 1.847 53.918 52.037 0.057 0.000 0.636 283 A CB -0.727 18.311 19.000 0.064 0.000 0.810 283 A HN 0.831 nan 8.150 nan 0.000 0.448 284 F N -0.323 119.498 119.950 -0.214 0.000 2.075 284 F HA -0.195 4.332 4.527 -0.000 0.000 0.297 284 F C 1.951 177.537 175.800 -0.357 0.000 1.113 284 F CA 1.636 59.383 58.000 -0.421 0.000 1.218 284 F CB -0.691 37.704 39.000 -1.008 0.000 0.984 284 F HN 0.321 nan 8.300 nan 0.000 0.472 285 Y N -0.570 119.542 120.300 -0.313 0.000 2.574 285 Y HA -0.140 4.410 4.550 -0.000 0.000 0.294 285 Y C 2.415 178.167 175.900 -0.246 0.000 1.142 285 Y CA 0.780 58.663 58.100 -0.362 0.000 1.314 285 Y CB -0.697 37.676 38.460 -0.144 0.000 0.991 285 Y HN 0.184 nan 8.280 nan 0.000 0.555 286 C N -1.574 117.690 119.300 -0.059 0.000 2.524 286 C HA -0.072 4.388 4.460 -0.000 0.000 0.284 286 C C 2.477 177.426 174.990 -0.068 0.000 1.346 286 C CA -0.181 58.823 59.018 -0.024 0.000 1.739 286 C CB -0.588 27.168 27.740 0.026 0.000 2.119 286 C HN 0.508 nan 8.230 nan 0.000 0.501 287 D N 2.135 122.468 120.400 -0.111 0.000 2.127 287 D HA -0.236 4.404 4.640 -0.000 0.000 0.190 287 D C 2.074 178.280 176.300 -0.156 0.000 1.000 287 D CA 2.270 56.206 54.000 -0.108 0.000 0.839 287 D CB -0.062 40.678 40.800 -0.099 0.000 0.955 287 D HN 0.666 nan 8.370 nan 0.000 0.446 288 K N 0.476 120.684 120.400 -0.320 0.000 2.137 288 K HA -0.003 4.317 4.320 -0.000 0.000 0.202 288 K C 1.939 178.437 176.600 -0.170 0.000 1.052 288 K CA 0.912 57.022 56.287 -0.295 0.000 0.961 288 K CB -0.171 32.016 32.500 -0.521 0.000 0.741 288 K HN -0.049 nan 8.250 nan 0.000 0.452 289 E N 1.066 121.181 120.200 -0.142 0.000 2.511 289 E HA 0.032 4.382 4.350 -0.000 0.000 0.196 289 E C -0.779 175.806 176.600 -0.024 0.000 1.066 289 E CA 0.001 56.370 56.400 -0.052 0.000 0.871 289 E CB 0.028 29.720 29.700 -0.012 0.000 0.863 289 E HN 0.211 nan 8.360 nan 0.000 0.520 290 K N 0.041 120.422 120.400 -0.032 0.000 3.653 290 K HA -0.208 4.112 4.320 -0.000 0.000 0.275 290 K C -0.934 175.686 176.600 0.033 0.000 0.962 290 K CA 0.243 56.529 56.287 -0.002 0.000 0.773 290 K CB -1.551 30.950 32.500 0.001 0.000 1.463 290 K HN 0.095 nan 8.250 nan 0.000 0.450 291 L N -2.331 118.923 121.223 0.051 0.000 2.216 291 L HA 0.861 5.201 4.340 -0.000 0.000 0.260 291 L C -0.357 176.631 176.870 0.196 0.000 1.036 291 L CA -0.943 53.961 54.840 0.106 0.000 0.914 291 L CB 0.368 42.472 42.059 0.075 0.000 1.501 291 L HN -0.007 nan 8.230 nan 0.000 0.485 292 F N 0.955 120.918 119.950 0.021 0.000 2.828 292 F HA 0.722 5.250 4.527 0.000 0.000 0.355 292 F C -1.559 174.242 175.800 0.002 0.000 1.200 292 F CA -1.122 56.878 58.000 -0.000 0.000 1.062 292 F CB 1.404 40.403 39.000 -0.002 0.000 1.351 292 F HN 0.167 nan 8.300 nan 0.000 0.504 293 V N 8.133 127.941 119.914 -0.176 0.000 2.357 293 V HA 0.271 4.391 4.120 -0.000 0.000 0.281 293 V C 0.688 176.610 176.094 -0.287 0.000 1.015 293 V CA -0.447 61.711 62.300 -0.236 0.000 0.827 293 V CB 1.105 32.895 31.823 -0.056 0.000 1.018 293 V HN 0.944 nan 8.190 nan 0.000 0.432 294 L N 1.559 122.477 121.223 -0.507 0.000 2.062 294 L HA 0.251 4.591 4.340 -0.000 0.000 0.202 294 L C 1.338 178.060 176.870 -0.246 0.000 1.079 294 L CA 1.122 55.679 54.840 -0.472 0.000 0.755 294 L CB 0.401 42.032 42.059 -0.714 0.000 0.913 294 L HN 0.730 nan 8.230 nan 0.000 0.445 295 E N 0.483 120.540 120.200 -0.240 0.000 2.360 295 E HA -0.103 4.247 4.350 -0.000 0.000 0.269 295 E C 0.774 177.342 176.600 -0.053 0.000 1.022 295 E CA 0.371 56.685 56.400 -0.145 0.000 0.887 295 E CB 1.217 30.732 29.700 -0.308 0.000 0.990 295 E HN 0.236 nan 8.360 nan 0.000 0.426 296 E N 3.977 124.187 120.200 0.018 0.000 2.038 296 E HA -0.336 4.014 4.350 -0.000 0.000 0.195 296 E C 1.493 178.145 176.600 0.087 0.000 1.000 296 E CA 1.686 58.124 56.400 0.062 0.000 0.803 296 E CB -0.077 29.674 29.700 0.084 0.000 0.750 296 E HN 0.779 nan 8.360 nan 0.000 0.448 297 E N 0.137 120.383 120.200 0.078 0.000 2.086 297 E HA -0.346 4.004 4.350 -0.000 0.000 0.205 297 E C 1.971 178.677 176.600 0.177 0.000 1.027 297 E CA 2.043 58.519 56.400 0.126 0.000 0.830 297 E CB -0.567 29.189 29.700 0.092 0.000 0.751 297 E HN 0.611 nan 8.360 nan 0.000 0.456 298 H N -0.235 118.843 119.070 0.013 0.000 2.421 298 H HA -0.027 4.529 4.556 -0.000 0.000 0.298 298 H C 2.444 177.763 175.328 -0.015 0.000 1.087 298 H CA 1.036 57.076 56.048 -0.013 0.000 1.330 298 H CB 0.100 29.833 29.762 -0.047 0.000 1.388 298 H HN 0.202 nan 8.280 nan 0.000 0.526 299 R N 0.028 120.604 120.500 0.127 0.000 2.115 299 R HA -0.105 4.235 4.340 -0.000 0.000 0.230 299 R C 1.859 178.190 176.300 0.052 0.000 1.111 299 R CA 0.853 56.995 56.100 0.070 0.000 0.976 299 R CB -0.008 30.330 30.300 0.064 0.000 0.870 299 R HN 0.210 nan 8.270 nan 0.000 0.445 300 I N 0.855 121.464 120.570 0.065 0.000 2.252 300 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 300 I C 2.493 178.618 176.117 0.013 0.000 1.102 300 I CA 1.097 62.419 61.300 0.037 0.000 1.385 300 I CB -0.927 37.109 38.000 0.060 0.000 1.064 300 I HN 0.093 nan 8.210 nan 0.000 0.414 301 R N 0.636 121.157 120.500 0.036 0.000 2.091 301 R HA -0.220 4.120 4.340 -0.000 0.000 0.238 301 R C 2.346 178.609 176.300 -0.061 0.000 1.136 301 R CA 1.644 57.742 56.100 -0.004 0.000 0.959 301 R CB -0.465 29.828 30.300 -0.012 0.000 0.856 301 R HN 0.283 nan 8.270 nan 0.000 0.437 302 L N 0.280 121.468 121.223 -0.060 0.000 1.955 302 L HA -0.148 4.192 4.340 -0.000 0.000 0.213 302 L C 2.233 179.018 176.870 -0.141 0.000 1.072 302 L CA 1.899 56.682 54.840 -0.094 0.000 0.755 302 L CB -0.700 41.329 42.059 -0.051 0.000 0.888 302 L HN 0.124 nan 8.230 nan 0.000 0.432 303 V N -0.825 119.035 119.914 -0.090 0.000 3.026 303 V HA -0.162 3.957 4.120 -0.000 0.000 0.265 303 V C 2.083 178.055 176.094 -0.202 0.000 1.121 303 V CA 1.386 63.625 62.300 -0.102 0.000 1.142 303 V CB -0.144 31.684 31.823 0.008 0.000 0.730 303 V HN 0.358 nan 8.190 nan 0.000 0.503 304 V N 0.751 120.541 119.914 -0.206 0.000 2.251 304 V HA -0.221 3.899 4.120 -0.000 0.000 0.233 304 V C 2.454 178.405 176.094 -0.238 0.000 1.041 304 V CA 2.293 64.436 62.300 -0.263 0.000 1.000 304 V CB -0.924 30.794 31.823 -0.175 0.000 0.643 304 V HN 0.740 nan 8.190 nan 0.000 0.460 305 N N 0.289 118.881 118.700 -0.180 0.000 2.139 305 N HA -0.304 4.436 4.740 -0.000 0.000 0.199 305 N C 1.917 177.288 175.510 -0.232 0.000 1.003 305 N CA 1.993 54.942 53.050 -0.169 0.000 0.892 305 N CB -0.172 38.237 38.487 -0.131 0.000 1.039 305 N HN 0.325 nan 8.380 nan 0.000 0.461 306 R N 0.308 120.602 120.500 -0.343 0.000 2.096 306 R HA -0.032 4.308 4.340 -0.000 0.000 0.235 306 R C 1.850 177.855 176.300 -0.492 0.000 1.127 306 R CA 0.771 56.565 56.100 -0.510 0.000 0.968 306 R CB -0.425 29.223 30.300 -1.087 0.000 0.861 306 R HN 0.427 nan 8.270 nan 0.000 0.440 307 L N -0.203 120.722 121.223 -0.498 0.000 2.700 307 L HA 0.314 4.654 4.340 -0.000 0.000 0.234 307 L C 0.714 177.326 176.870 -0.431 0.000 1.156 307 L CA -0.049 54.349 54.840 -0.737 0.000 0.946 307 L CB -0.041 41.722 42.059 -0.494 0.000 1.216 307 L HN 0.115 nan 8.230 nan 0.000 0.493 308 G N 1.418 110.066 108.800 -0.254 0.000 2.306 308 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.274 308 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.274 308 G C 0.723 175.562 174.900 -0.103 0.000 0.890 308 G CA 0.315 45.340 45.100 -0.125 0.000 1.298 308 G HN 0.419 nan 8.290 nan 0.000 0.445 309 L N -0.154 120.977 121.223 -0.154 0.000 2.418 309 L HA 0.124 4.463 4.340 -0.000 0.000 0.218 309 L C 0.768 177.620 176.870 -0.030 0.000 1.125 309 L CA 0.809 55.556 54.840 -0.155 0.000 0.835 309 L CB 0.044 41.820 42.059 -0.471 0.000 0.953 309 L HN 0.538 nan 8.230 nan 0.000 0.454 310 D N -1.512 118.885 120.400 -0.006 0.000 2.485 310 D HA 0.150 4.790 4.640 -0.000 0.000 0.229 310 D C 0.551 176.868 176.300 0.029 0.000 1.101 310 D CA -0.157 53.876 54.000 0.055 0.000 0.906 310 D CB 1.111 41.952 40.800 0.068 0.000 1.019 310 D HN 0.036 nan 8.370 nan 0.000 0.516 311 S N 0.818 116.540 115.700 0.036 0.000 2.658 311 S HA 0.091 4.561 4.470 -0.000 0.000 0.277 311 S C 1.156 175.774 174.600 0.031 0.000 1.078 311 S CA -0.406 57.809 58.200 0.025 0.000 1.124 311 S CB 0.009 63.221 63.200 0.020 0.000 1.016 311 S HN 0.309 nan 8.310 nan 0.000 0.543 312 L N 1.334 122.583 121.223 0.045 0.000 2.638 312 L HA 0.719 5.059 4.340 -0.000 0.000 0.232 312 L C 0.658 177.557 176.870 0.050 0.000 1.099 312 L CA 0.529 55.397 54.840 0.046 0.000 0.883 312 L CB 0.893 42.985 42.059 0.055 0.000 1.136 312 L HN 0.554 nan 8.230 nan 0.000 0.492 313 A N -0.284 122.570 122.820 0.058 0.000 2.522 313 A HA 0.544 4.864 4.320 -0.000 0.000 0.294 313 A C -2.858 174.771 177.584 0.075 0.000 1.001 313 A CA -0.735 51.336 52.037 0.056 0.000 0.642 313 A CB 0.219 19.253 19.000 0.056 0.000 1.326 313 A HN -0.179 nan 8.150 nan 0.000 0.435 314 P HA 0.524 nan 4.420 nan 0.000 0.276 314 P C -0.969 176.409 177.300 0.129 0.000 1.252 314 P CA -0.157 62.995 63.100 0.086 0.000 0.802 314 P CB 0.523 32.253 31.700 0.051 0.000 1.035 315 F N 1.444 121.387 119.950 -0.011 0.000 2.325 315 F HA 0.249 4.776 4.527 0.000 0.000 0.369 315 F C -0.153 175.630 175.800 -0.029 0.000 1.095 315 F CA -0.759 57.229 58.000 -0.020 0.000 1.082 315 F CB 0.377 39.360 39.000 -0.028 0.000 1.289 315 F HN 0.080 nan 8.300 nan 0.000 0.462 316 D N 8.733 128.903 120.400 -0.385 0.000 2.422 316 D HA 0.219 4.859 4.640 -0.000 0.000 0.227 316 D C -1.762 174.240 176.300 -0.497 0.000 1.190 316 D CA -2.437 51.382 54.000 -0.301 0.000 0.905 316 D CB 1.497 42.185 40.800 -0.186 0.000 1.034 316 D HN 0.260 nan 8.370 nan 0.000 0.507 317 P HA -0.086 nan 4.420 nan 0.000 0.223 317 P C 1.088 178.191 177.300 -0.328 0.000 1.151 317 P CA 0.551 63.392 63.100 -0.431 0.000 0.787 317 P CB 0.326 31.947 31.700 -0.131 0.000 0.788 318 K N -0.050 120.270 120.400 -0.133 0.000 2.574 318 K HA -0.099 4.221 4.320 -0.000 0.000 0.193 318 K C 1.582 178.165 176.600 -0.028 0.000 1.035 318 K CA 0.795 57.097 56.287 0.025 0.000 0.982 318 K CB 0.037 32.568 32.500 0.052 0.000 0.795 318 K HN 0.055 nan 8.250 nan 0.000 0.491 319 E N -1.087 119.026 120.200 -0.144 0.000 2.703 319 E HA 0.047 4.397 4.350 -0.000 0.000 0.214 319 E C 0.732 177.224 176.600 -0.180 0.000 0.944 319 E CA -0.052 56.275 56.400 -0.122 0.000 1.299 319 E CB 0.575 30.208 29.700 -0.112 0.000 1.189 319 E HN 0.061 nan 8.360 nan 0.000 0.597 320 R N -0.040 120.273 120.500 -0.312 0.000 2.250 320 R HA 0.337 4.677 4.340 -0.000 0.000 0.194 320 R C 0.962 177.142 176.300 -0.200 0.000 0.927 320 R CA 0.108 56.012 56.100 -0.327 0.000 1.052 320 R CB 0.551 30.411 30.300 -0.733 0.000 1.055 320 R HN 0.097 nan 8.270 nan 0.000 0.537 321 I N 1.684 122.115 120.570 -0.233 0.000 2.395 321 I HA 0.105 4.275 4.170 -0.000 0.000 0.289 321 I C 1.792 177.877 176.117 -0.052 0.000 1.023 321 I CA -0.242 60.947 61.300 -0.185 0.000 1.350 321 I CB 1.269 39.020 38.000 -0.415 0.000 1.409 321 I HN -0.143 nan 8.210 nan 0.000 0.507 322 I N 3.656 124.216 120.570 -0.015 0.000 2.113 322 I HA -0.227 3.943 4.170 -0.000 0.000 0.238 322 I C 1.930 178.103 176.117 0.094 0.000 1.070 322 I CA 1.564 62.892 61.300 0.047 0.000 1.332 322 I CB -0.190 37.847 38.000 0.062 0.000 1.044 322 I HN 0.669 nan 8.210 nan 0.000 0.402 323 E N 0.058 120.327 120.200 0.115 0.000 2.393 323 E HA -0.226 4.124 4.350 -0.000 0.000 0.201 323 E C 1.568 178.315 176.600 0.245 0.000 1.025 323 E CA 1.270 57.770 56.400 0.166 0.000 0.856 323 E CB -0.160 29.641 29.700 0.167 0.000 0.771 323 E HN 0.528 nan 8.360 nan 0.000 0.526 324 Y N -1.301 118.989 120.300 -0.018 0.000 2.500 324 Y HA 0.190 4.739 4.550 -0.001 0.000 0.284 324 Y C 1.765 177.655 175.900 -0.016 0.000 1.118 324 Y CA -0.219 57.870 58.100 -0.018 0.000 1.241 324 Y CB -0.336 38.108 38.460 -0.027 0.000 1.171 324 Y HN -0.011 nan 8.280 nan 0.000 0.540 325 L N -0.505 120.812 121.223 0.156 0.000 2.017 325 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 325 L C 0.834 177.742 176.870 0.064 0.000 1.073 325 L CA 1.328 56.216 54.840 0.081 0.000 0.745 325 L CB 0.004 42.096 42.059 0.055 0.000 0.894 325 L HN 0.087 nan 8.230 nan 0.000 0.432 326 V N -0.827 119.128 119.914 0.068 0.000 2.266 326 V HA 0.462 4.582 4.120 -0.000 0.000 0.266 326 V C -2.433 173.685 176.094 0.041 0.000 1.036 326 V CA -1.978 60.353 62.300 0.052 0.000 0.828 326 V CB 0.476 32.334 31.823 0.059 0.000 1.081 326 V HN -0.030 nan 8.190 nan 0.000 0.449 327 P HA 0.145 nan 4.420 nan 0.000 0.271 327 P C -0.426 176.875 177.300 0.002 0.000 1.238 327 P CA 0.223 63.318 63.100 -0.009 0.000 0.794 327 P CB 0.373 32.050 31.700 -0.038 0.000 0.959 328 D N -0.551 119.845 120.400 -0.006 0.000 2.622 328 D HA 0.046 4.686 4.640 -0.000 0.000 0.262 328 D C 0.382 176.682 176.300 -0.000 0.000 1.189 328 D CA -0.300 53.703 54.000 0.005 0.000 0.985 328 D CB 0.148 40.955 40.800 0.011 0.000 0.994 328 D HN 0.253 nan 8.370 nan 0.000 0.513 329 S N 1.051 116.752 115.700 0.001 0.000 2.326 329 S HA 0.325 4.795 4.470 -0.000 0.000 0.211 329 S C 1.440 176.045 174.600 0.008 0.000 1.031 329 S CA 0.658 58.858 58.200 0.000 0.000 0.985 329 S CB -0.636 62.564 63.200 0.001 0.000 0.961 329 S HN 0.866 nan 8.310 nan 0.000 0.436 330 G N 1.775 110.584 108.800 0.014 0.000 2.428 330 G HA2 0.156 4.116 3.960 -0.000 0.000 0.202 330 G HA3 0.156 4.116 3.960 -0.000 0.000 0.202 330 G C -3.076 171.835 174.900 0.019 0.000 1.247 330 G CA -0.500 44.611 45.100 0.018 0.000 1.020 330 G HN 0.694 nan 8.290 nan 0.000 0.529 331 P HA 0.584 nan 4.420 nan 0.000 0.296 331 P C -0.458 176.856 177.300 0.023 0.000 1.306 331 P CA 0.005 63.118 63.100 0.021 0.000 0.818 331 P CB 1.282 32.996 31.700 0.022 0.000 0.969 332 E N 0.337 120.549 120.200 0.021 0.000 8.367 332 E HA -0.179 4.171 4.350 -0.000 0.000 0.467 332 E C -0.483 176.130 176.600 0.021 0.000 0.968 332 E CA 0.439 56.852 56.400 0.022 0.000 1.684 332 E CB -0.734 28.983 29.700 0.029 0.000 0.997 332 E HN 0.598 nan 8.360 nan 0.000 0.275 333 Q N 0.253 120.065 119.800 0.019 0.000 2.382 333 Q HA 0.413 4.753 4.340 -0.000 0.000 0.229 333 Q C 0.410 176.421 176.000 0.019 0.000 1.006 333 Q CA -0.201 55.611 55.803 0.015 0.000 0.916 333 Q CB 0.953 29.698 28.738 0.012 0.000 1.235 333 Q HN 0.462 nan 8.270 nan 0.000 0.512 334 S N -0.152 115.554 115.700 0.009 0.000 2.601 334 S HA 0.151 4.621 4.470 -0.000 0.000 0.271 334 S C 0.880 175.490 174.600 0.016 0.000 1.305 334 S CA -0.492 57.714 58.200 0.008 0.000 1.022 334 S CB 0.388 63.579 63.200 -0.014 0.000 0.940 334 S HN 0.544 nan 8.310 nan 0.000 0.525 335 L N 4.147 125.391 121.223 0.035 0.000 2.201 335 L HA 0.033 4.373 4.340 -0.000 0.000 0.212 335 L C 2.221 179.078 176.870 -0.021 0.000 1.105 335 L CA 0.878 55.757 54.840 0.065 0.000 0.775 335 L CB -0.539 41.632 42.059 0.186 0.000 0.913 335 L HN 0.675 nan 8.230 nan 0.000 0.440 336 L N -0.132 121.042 121.223 -0.080 0.000 2.357 336 L HA -0.271 4.069 4.340 -0.000 0.000 0.220 336 L C 1.340 178.158 176.870 -0.087 0.000 1.123 336 L CA 1.080 55.843 54.840 -0.129 0.000 0.782 336 L CB -0.427 41.569 42.059 -0.106 0.000 0.910 336 L HN 0.431 nan 8.230 nan 0.000 0.442 337 D N -0.875 119.498 120.400 -0.045 0.000 2.398 337 D HA 0.204 4.843 4.640 -0.000 0.000 0.210 337 D C 0.634 176.928 176.300 -0.009 0.000 1.094 337 D CA 0.247 54.230 54.000 -0.029 0.000 0.839 337 D CB 0.638 41.425 40.800 -0.021 0.000 0.963 337 D HN 0.190 nan 8.370 nan 0.000 0.506 338 A N 1.102 123.927 122.820 0.009 0.000 2.324 338 A HA 0.502 4.822 4.320 -0.000 0.000 0.330 338 A C 0.629 178.237 177.584 0.039 0.000 1.165 338 A CA -0.531 51.524 52.037 0.029 0.000 0.813 338 A CB 0.860 19.890 19.000 0.049 0.000 1.197 338 A HN 0.064 nan 8.150 nan 0.000 0.484 339 S N 1.387 117.108 115.700 0.035 0.000 2.536 339 S HA -0.033 4.437 4.470 -0.000 0.000 0.290 339 S C 1.147 175.789 174.600 0.069 0.000 1.302 339 S CA 0.262 58.484 58.200 0.037 0.000 1.037 339 S CB -0.012 63.206 63.200 0.031 0.000 0.804 339 S HN 1.282 nan 8.310 nan 0.000 0.506 340 L N 1.794 123.052 121.223 0.059 0.000 1.997 340 L HA -0.176 4.164 4.340 -0.000 0.000 0.216 340 L C 2.796 179.737 176.870 0.119 0.000 1.074 340 L CA 2.326 57.225 54.840 0.098 0.000 0.763 340 L CB -0.850 41.248 42.059 0.065 0.000 0.890 340 L HN 0.903 nan 8.230 nan 0.000 0.434 341 R N -0.869 119.673 120.500 0.069 0.000 2.113 341 R HA -0.268 4.072 4.340 -0.000 0.000 0.244 341 R C 2.137 178.469 176.300 0.053 0.000 1.142 341 R CA 1.805 57.935 56.100 0.049 0.000 0.953 341 R CB -0.524 29.793 30.300 0.029 0.000 0.860 341 R HN 0.596 nan 8.270 nan 0.000 0.438 342 A N 0.507 123.368 122.820 0.069 0.000 1.851 342 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 342 A C 2.000 179.641 177.584 0.095 0.000 1.195 342 A CA 1.545 53.623 52.037 0.069 0.000 0.622 342 A CB -0.990 18.055 19.000 0.074 0.000 0.831 342 A HN 0.510 nan 8.150 nan 0.000 0.444 343 F N 0.606 120.550 119.950 -0.010 0.000 2.063 343 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 343 F C 2.446 178.238 175.800 -0.014 0.000 1.109 343 F CA 2.327 60.319 58.000 -0.012 0.000 1.212 343 F CB -0.600 38.393 39.000 -0.012 0.000 0.973 343 F HN 0.130 nan 8.300 nan 0.000 0.480 344 V N 1.700 121.561 119.914 -0.089 0.000 2.295 344 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 344 V C 1.663 177.653 176.094 -0.173 0.000 1.049 344 V CA 1.850 64.041 62.300 -0.181 0.000 1.024 344 V CB -0.503 31.297 31.823 -0.038 0.000 0.648 344 V HN 0.374 nan 8.190 nan 0.000 0.447 345 R N 0.272 120.718 120.500 -0.090 0.000 4.263 345 R HA 0.233 4.573 4.340 -0.000 0.000 0.248 345 R C 0.637 176.890 176.300 -0.079 0.000 1.796 345 R CA 0.415 56.472 56.100 -0.071 0.000 1.518 345 R CB 0.238 30.518 30.300 -0.033 0.000 1.342 345 R HN 0.627 nan 8.270 nan 0.000 0.706 346 E N -0.139 119.978 120.200 -0.137 0.000 3.575 346 E HA -0.105 4.245 4.350 -0.000 0.000 0.263 346 E C 1.456 177.943 176.600 -0.188 0.000 1.230 346 E CA 0.718 57.038 56.400 -0.135 0.000 1.875 346 E CB -0.518 29.114 29.700 -0.113 0.000 1.961 346 E HN -0.040 nan 8.360 nan 0.000 0.904 347 V N 0.916 120.634 119.914 -0.326 0.000 2.277 347 V HA -0.144 3.976 4.120 -0.000 0.000 0.253 347 V C 1.754 177.734 176.094 -0.190 0.000 1.067 347 V CA 2.785 64.903 62.300 -0.304 0.000 1.047 347 V CB -1.422 30.138 31.823 -0.439 0.000 0.649 347 V HN 0.342 nan 8.190 nan 0.000 0.447 348 G N -0.180 108.518 108.800 -0.170 0.000 3.155 348 G HA2 0.467 4.427 3.960 -0.000 0.000 0.213 348 G HA3 0.467 4.427 3.960 -0.000 0.000 0.213 348 G C 0.488 175.336 174.900 -0.087 0.000 1.196 348 G CA 0.420 45.452 45.100 -0.113 0.000 0.846 348 G HN 1.157 nan 8.290 nan 0.000 0.516 349 A N -0.126 122.640 122.820 -0.089 0.000 2.272 349 A HA 0.555 4.875 4.320 -0.000 0.000 0.275 349 A C 1.360 178.912 177.584 -0.055 0.000 1.096 349 A CA -0.625 51.375 52.037 -0.061 0.000 0.822 349 A CB 0.307 19.275 19.000 -0.054 0.000 1.088 349 A HN 0.240 nan 8.150 nan 0.000 0.495 350 R N 0.634 121.112 120.500 -0.037 0.000 2.446 350 R HA -0.065 4.275 4.340 -0.000 0.000 0.209 350 R C 0.588 176.871 176.300 -0.028 0.000 1.175 350 R CA 0.767 56.850 56.100 -0.028 0.000 1.154 350 R CB -1.061 29.230 30.300 -0.016 0.000 0.824 350 R HN 0.742 nan 8.270 nan 0.000 0.485 351 S N -0.898 114.774 115.700 -0.046 0.000 2.589 351 S HA 0.038 4.508 4.470 -0.000 0.000 0.306 351 S C 1.311 175.863 174.600 -0.080 0.000 1.221 351 S CA -0.020 58.144 58.200 -0.060 0.000 1.159 351 S CB 1.449 64.594 63.200 -0.092 0.000 0.990 351 S HN 0.350 nan 8.310 nan 0.000 0.514 352 A N 4.237 127.027 122.820 -0.050 0.000 2.067 352 A HA 0.269 4.589 4.320 -0.000 0.000 0.219 352 A C 2.163 179.542 177.584 -0.341 0.000 1.158 352 A CA 1.244 53.230 52.037 -0.085 0.000 0.661 352 A CB -1.130 17.925 19.000 0.092 0.000 0.801 352 A HN 1.228 nan 8.150 nan 0.000 0.452 353 A N 0.730 123.384 122.820 -0.276 0.000 1.889 353 A HA 0.204 4.524 4.320 -0.000 0.000 0.209 353 A C -1.007 176.360 177.584 -0.361 0.000 1.315 353 A CA 0.808 52.621 52.037 -0.372 0.000 0.611 353 A CB -1.616 17.343 19.000 -0.068 0.000 0.950 353 A HN 0.466 nan 8.150 nan 0.000 0.477 354 P HA 0.463 nan 4.420 nan 0.000 0.272 354 P C -0.053 177.135 177.300 -0.187 0.000 1.223 354 P CA 0.861 63.878 63.100 -0.138 0.000 0.784 354 P CB 0.879 32.515 31.700 -0.107 0.000 0.923 355 G N -0.884 107.831 108.800 -0.140 0.000 2.321 355 G HA2 0.418 4.378 3.960 -0.000 0.000 0.339 355 G HA3 0.418 4.378 3.960 -0.000 0.000 0.339 355 G C 0.106 174.965 174.900 -0.067 0.000 1.518 355 G CA 0.467 45.492 45.100 -0.125 0.000 0.994 355 G HN 0.763 nan 8.290 nan 0.000 0.668 356 G N 0.235 109.016 108.800 -0.033 0.000 3.284 356 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.351 356 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.351 356 G C 2.094 177.033 174.900 0.064 0.000 1.232 356 G CA 2.452 47.564 45.100 0.019 0.000 1.001 356 G HN 2.460 nan 8.290 nan 0.000 0.639 357 G N -0.171 108.664 108.800 0.057 0.000 2.479 357 G HA2 0.031 3.991 3.960 -0.000 0.000 0.220 357 G HA3 0.031 3.991 3.960 -0.000 0.000 0.220 357 G C 2.007 176.955 174.900 0.080 0.000 1.115 357 G CA 2.172 47.318 45.100 0.077 0.000 0.757 357 G HN 1.130 nan 8.290 nan 0.000 0.560 358 S N -0.802 114.944 115.700 0.076 0.000 2.371 358 S HA -0.057 4.413 4.470 -0.000 0.000 0.219 358 S C 2.501 177.215 174.600 0.189 0.000 1.040 358 S CA 1.143 59.420 58.200 0.128 0.000 0.958 358 S CB -0.429 62.861 63.200 0.149 0.000 0.860 358 S HN 0.367 nan 8.310 nan 0.000 0.487 359 V N 2.300 122.316 119.914 0.169 0.000 2.469 359 V HA -0.047 4.073 4.120 -0.000 0.000 0.251 359 V C 2.255 178.436 176.094 0.145 0.000 1.064 359 V CA 2.100 64.510 62.300 0.183 0.000 1.066 359 V CB -1.290 30.588 31.823 0.091 0.000 0.667 359 V HN 0.505 nan 8.190 nan 0.000 0.461 360 A N 0.769 123.666 122.820 0.129 0.000 1.869 360 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 360 A C 2.610 180.254 177.584 0.100 0.000 1.203 360 A CA 3.193 55.307 52.037 0.129 0.000 0.638 360 A CB -1.540 17.541 19.000 0.136 0.000 0.831 360 A HN 1.133 nan 8.150 nan 0.000 0.450 361 A N -0.517 122.354 122.820 0.085 0.000 1.883 361 A HA 0.083 4.403 4.320 -0.000 0.000 0.217 361 A C 2.553 180.156 177.584 0.031 0.000 1.186 361 A CA 2.680 54.746 52.037 0.048 0.000 0.624 361 A CB -1.158 17.863 19.000 0.036 0.000 0.822 361 A HN 1.241 nan 8.150 nan 0.000 0.444 362 A N -0.591 122.259 122.820 0.051 0.000 1.898 362 A HA 0.033 4.353 4.320 -0.000 0.000 0.216 362 A C 2.199 179.805 177.584 0.037 0.000 1.181 362 A CA 1.748 53.794 52.037 0.014 0.000 0.620 362 A CB -0.981 18.038 19.000 0.033 0.000 0.819 362 A HN 0.514 nan 8.150 nan 0.000 0.442 363 V N -0.057 119.903 119.914 0.075 0.000 2.392 363 V HA -0.254 3.866 4.120 -0.000 0.000 0.249 363 V C 2.934 179.055 176.094 0.045 0.000 1.059 363 V CA 1.927 64.268 62.300 0.068 0.000 1.051 363 V CB -1.422 30.455 31.823 0.089 0.000 0.658 363 V HN 0.590 nan 8.190 nan 0.000 0.455 364 A N 0.016 122.860 122.820 0.039 0.000 1.929 364 A HA 0.074 4.394 4.320 -0.000 0.000 0.216 364 A C 2.380 179.959 177.584 -0.008 0.000 1.176 364 A CA 1.715 53.760 52.037 0.013 0.000 0.628 364 A CB -0.604 18.401 19.000 0.009 0.000 0.816 364 A HN 0.562 nan 8.150 nan 0.000 0.444 365 A N -0.759 122.053 122.820 -0.013 0.000 1.968 365 A HA 0.120 4.440 4.320 -0.000 0.000 0.217 365 A C 1.907 179.476 177.584 -0.025 0.000 1.169 365 A CA 1.136 53.156 52.037 -0.029 0.000 0.638 365 A CB -0.364 18.605 19.000 -0.051 0.000 0.812 365 A HN 0.353 nan 8.150 nan 0.000 0.446 366 L N -0.082 121.131 121.223 -0.016 0.000 2.131 366 L HA -0.114 4.225 4.340 -0.000 0.000 0.210 366 L C 2.536 179.397 176.870 -0.014 0.000 1.092 366 L CA 1.843 56.676 54.840 -0.012 0.000 0.759 366 L CB -1.824 40.238 42.059 0.005 0.000 0.903 366 L HN 0.428 nan 8.230 nan 0.000 0.435 367 G N -0.906 107.889 108.800 -0.009 0.000 2.434 367 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.214 367 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.214 367 G C 1.735 176.613 174.900 -0.038 0.000 1.202 367 G CA 1.009 46.099 45.100 -0.018 0.000 0.788 367 G HN 0.478 nan 8.290 nan 0.000 0.539 368 A N 1.333 124.153 122.820 -0.001 0.000 1.873 368 A HA 0.134 4.454 4.320 -0.000 0.000 0.218 368 A C 2.858 180.439 177.584 -0.005 0.000 1.193 368 A CA 2.803 54.887 52.037 0.078 0.000 0.629 368 A CB -1.090 17.987 19.000 0.128 0.000 0.826 368 A HN 1.004 nan 8.150 nan 0.000 0.447 369 A N -0.684 122.131 122.820 -0.008 0.000 1.986 369 A HA -0.108 4.212 4.320 -0.000 0.000 0.220 369 A C 2.196 179.747 177.584 -0.055 0.000 1.171 369 A CA 1.674 53.703 52.037 -0.014 0.000 0.640 369 A CB -0.619 18.370 19.000 -0.018 0.000 0.811 369 A HN 0.495 nan 8.150 nan 0.000 0.451 370 L N -0.934 120.240 121.223 -0.082 0.000 1.994 370 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 370 L C 3.124 179.882 176.870 -0.187 0.000 1.071 370 L CA 1.316 56.095 54.840 -0.102 0.000 0.745 370 L CB -0.463 41.547 42.059 -0.082 0.000 0.892 370 L HN 0.428 nan 8.230 nan 0.000 0.431 371 A N -0.999 121.613 122.820 -0.348 0.000 1.902 371 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 371 A C 1.784 179.034 177.584 -0.557 0.000 1.181 371 A CA 1.366 53.004 52.037 -0.665 0.000 0.623 371 A CB -0.644 17.476 19.000 -1.468 0.000 0.818 371 A HN 0.417 nan 8.150 nan 0.000 0.443 375 G N 0.929 109.680 108.800 -0.083 0.000 2.476 375 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.218 375 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.218 375 G C 0.704 175.613 174.900 0.016 0.000 1.164 375 G CA 1.157 46.232 45.100 -0.042 0.000 0.768 375 G HN 0.592 nan 8.290 nan 0.000 0.560 379 Y N 1.270 121.608 120.300 0.063 0.000 2.630 379 Y HA 0.700 5.250 4.550 -0.000 0.000 0.337 379 Y C 1.092 177.090 175.900 0.164 0.000 1.051 379 Y CA 0.789 58.957 58.100 0.114 0.000 1.121 379 Y CB 1.222 39.746 38.460 0.107 0.000 1.299 379 Y HN 0.288 nan 8.280 nan 0.000 0.498 380 G N 2.814 110.979 108.800 -1.058 0.000 2.602 380 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.310 380 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.310 380 G C -0.063 174.697 174.900 -0.233 0.000 1.183 380 G CA 0.357 45.091 45.100 -0.610 0.000 0.979 380 G HN 0.988 nan 8.290 nan 0.000 0.545 381 R N 1.583 122.020 120.500 -0.105 0.000 4.048 381 R HA -0.140 4.200 4.340 -0.000 0.000 0.110 381 R C 1.358 177.568 176.300 -0.150 0.000 0.432 381 R CA 1.004 57.045 56.100 -0.099 0.000 0.770 381 R CB -0.090 30.166 30.300 -0.074 0.000 1.125 381 R HN 0.758 nan 8.270 nan 0.000 0.220 382 R N 3.179 123.593 120.500 -0.143 0.000 2.705 382 R HA -0.261 4.079 4.340 -0.000 0.000 0.264 382 R C 1.065 177.227 176.300 -0.231 0.000 0.988 382 R CA 1.738 57.752 56.100 -0.144 0.000 1.103 382 R CB 0.332 30.570 30.300 -0.103 0.000 0.950 382 R HN 0.987 nan 8.270 nan 0.000 0.427 383 Q N 0.589 120.270 119.800 -0.198 0.000 7.756 383 Q HA -0.233 4.107 4.340 -0.000 0.000 0.361 383 Q C 0.032 175.878 176.000 -0.257 0.000 1.108 383 Q CA 1.433 57.084 55.803 -0.254 0.000 0.531 383 Q CB -1.788 26.675 28.738 -0.459 0.000 0.169 383 Q HN 0.636 nan 8.270 nan 0.000 0.885 384 F N 2.087 121.910 119.950 -0.212 0.000 2.773 384 F HA 0.187 4.714 4.527 -0.000 0.000 0.304 384 F C 0.969 176.495 175.800 -0.456 0.000 1.129 384 F CA -0.019 57.758 58.000 -0.372 0.000 1.378 384 F CB 0.231 39.120 39.000 -0.184 0.000 1.095 384 F HN 0.187 nan 8.300 nan 0.000 0.565 385 D N 0.009 120.300 120.400 -0.182 0.000 2.126 385 D HA -0.271 4.369 4.640 -0.000 0.000 0.190 385 D C 2.062 178.307 176.300 -0.091 0.000 1.001 385 D CA 1.764 55.703 54.000 -0.102 0.000 0.841 385 D CB -0.664 40.116 40.800 -0.034 0.000 0.949 385 D HN 0.465 nan 8.370 nan 0.000 0.446 386 H N -0.375 118.740 119.070 0.074 0.000 2.557 386 H HA -0.013 4.543 4.556 -0.000 0.000 0.287 386 H C 1.377 176.739 175.328 0.058 0.000 1.043 386 H CA 0.588 56.670 56.048 0.057 0.000 1.226 386 H CB -0.254 29.541 29.762 0.054 0.000 1.361 386 H HN 0.251 nan 8.280 nan 0.000 0.592 387 L N 0.032 121.220 121.223 -0.058 0.000 2.858 387 L HA 0.109 4.449 4.340 -0.000 0.000 0.251 387 L C 1.768 178.646 176.870 0.013 0.000 1.149 387 L CA 0.115 54.959 54.840 0.007 0.000 0.955 387 L CB 0.524 42.560 42.059 -0.039 0.000 1.289 387 L HN 0.056 nan 8.230 nan 0.000 0.542 388 D N 0.275 120.688 120.400 0.022 0.000 2.133 388 D HA -0.228 4.412 4.640 -0.000 0.000 0.195 388 D C 2.244 178.563 176.300 0.031 0.000 0.997 388 D CA 1.885 55.931 54.000 0.076 0.000 0.840 388 D CB 0.323 41.160 40.800 0.062 0.000 0.947 388 D HN 0.336 nan 8.370 nan 0.000 0.452 389 S N -0.929 114.777 115.700 0.009 0.000 2.356 389 S HA -0.122 4.348 4.470 -0.000 0.000 0.223 389 S C 1.337 175.906 174.600 -0.051 0.000 1.032 389 S CA 1.162 59.349 58.200 -0.021 0.000 1.005 389 S CB -1.280 61.920 63.200 0.001 0.000 0.867 389 S HN 0.335 nan 8.310 nan 0.000 0.449 393 R N 1.100 121.438 120.500 -0.270 0.000 2.173 393 R HA 0.037 4.377 4.340 -0.000 0.000 0.208 393 R C 1.097 177.336 176.300 -0.102 0.000 1.035 393 R CA 1.284 57.293 56.100 -0.152 0.000 1.004 393 R CB 0.329 30.575 30.300 -0.091 0.000 0.917 393 R HN 0.080 nan 8.270 nan 0.000 0.462 394 L N -3.106 118.071 121.223 -0.077 0.000 2.840 394 L HA 0.322 4.662 4.340 -0.000 0.000 0.249 394 L C 1.490 178.436 176.870 0.126 0.000 1.119 394 L CA 0.363 55.212 54.840 0.015 0.000 0.930 394 L CB -0.443 41.662 42.059 0.076 0.000 1.295 394 L HN -0.068 nan 8.230 nan 0.000 0.534 395 I N 1.326 121.933 120.570 0.062 0.000 2.194 395 I HA -0.184 3.985 4.170 -0.000 0.000 0.246 395 I C -0.267 175.967 176.117 0.195 0.000 1.093 395 I CA 1.667 63.049 61.300 0.137 0.000 1.355 395 I CB -1.235 36.809 38.000 0.075 0.000 1.046 395 I HN 0.264 nan 8.210 nan 0.000 0.413 396 P HA -0.130 nan 4.420 nan 0.000 0.210 396 P C -1.241 176.134 177.300 0.124 0.000 1.189 396 P CA 1.920 65.114 63.100 0.156 0.000 0.920 396 P CB -1.470 30.300 31.700 0.117 0.000 0.782 397 P HA -0.231 nan 4.420 nan 0.000 0.219 397 P C 1.448 178.657 177.300 -0.153 0.000 1.153 397 P CA 1.703 64.726 63.100 -0.128 0.000 0.865 397 P CB -0.654 30.874 31.700 -0.286 0.000 0.788 398 F N -1.332 118.626 119.950 0.013 0.000 2.060 398 F HA -0.167 4.360 4.527 -0.000 0.000 0.295 398 F C 3.051 178.866 175.800 0.025 0.000 1.120 398 F CA 1.415 59.415 58.000 -0.001 0.000 1.205 398 F CB -1.171 37.830 39.000 0.003 0.000 0.986 398 F HN 0.038 nan 8.300 nan 0.000 0.470 399 H N 0.471 119.651 119.070 0.184 0.000 2.289 399 H HA -0.228 4.328 4.556 -0.000 0.000 0.296 399 H C 2.155 177.503 175.328 0.034 0.000 1.091 399 H CA 1.833 57.929 56.048 0.081 0.000 1.274 399 H CB -0.244 29.557 29.762 0.065 0.000 1.364 399 H HN 0.285 nan 8.280 nan 0.000 0.490 400 A N 1.137 123.991 122.820 0.058 0.000 1.898 400 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 400 A C 2.749 180.292 177.584 -0.068 0.000 1.181 400 A CA 1.765 53.780 52.037 -0.037 0.000 0.620 400 A CB -1.073 17.946 19.000 0.031 0.000 0.819 400 A HN 0.603 nan 8.150 nan 0.000 0.442 401 A N -0.504 122.286 122.820 -0.049 0.000 1.902 401 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 401 A C 2.462 180.011 177.584 -0.057 0.000 1.181 401 A CA 2.263 54.263 52.037 -0.063 0.000 0.623 401 A CB -1.091 17.856 19.000 -0.088 0.000 0.818 401 A HN 0.655 nan 8.150 nan 0.000 0.443 402 S N -0.037 115.640 115.700 -0.039 0.000 2.369 402 S HA -0.202 4.268 4.470 -0.000 0.000 0.225 402 S C 2.196 176.739 174.600 -0.096 0.000 1.043 402 S CA 2.276 60.444 58.200 -0.053 0.000 1.074 402 S CB -0.648 62.523 63.200 -0.048 0.000 0.962 402 S HN 1.019 nan 8.310 nan 0.000 0.433 403 A N 0.529 123.259 122.820 -0.150 0.000 1.972 403 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 403 A C 2.202 179.724 177.584 -0.103 0.000 1.169 403 A CA 1.842 53.790 52.037 -0.148 0.000 0.635 403 A CB -0.903 17.978 19.000 -0.199 0.000 0.810 403 A HN 0.784 nan 8.150 nan 0.000 0.446 404 Q N -0.606 119.142 119.800 -0.087 0.000 2.119 404 Q HA -0.078 4.262 4.340 -0.000 0.000 0.201 404 Q C 1.882 177.850 176.000 -0.054 0.000 0.972 404 Q CA 1.283 57.048 55.803 -0.063 0.000 0.847 404 Q CB -0.163 28.541 28.738 -0.056 0.000 0.903 404 Q HN 0.706 nan 8.270 nan 0.000 0.433 405 L N -0.609 120.581 121.223 -0.056 0.000 2.131 405 L HA -0.098 4.242 4.340 -0.000 0.000 0.206 405 L C 2.401 179.239 176.870 -0.053 0.000 1.087 405 L CA 1.179 55.992 54.840 -0.045 0.000 0.767 405 L CB -0.454 41.580 42.059 -0.042 0.000 0.917 405 L HN 0.171 nan 8.230 nan 0.000 0.441 406 T N -0.940 113.570 114.554 -0.073 0.000 2.737 406 T HA -0.244 4.106 4.350 -0.000 0.000 0.269 406 T C 2.081 176.729 174.700 -0.087 0.000 1.040 406 T CA 1.878 63.920 62.100 -0.095 0.000 1.142 406 T CB -0.266 68.536 68.868 -0.110 0.000 0.861 406 T HN 0.422 nan 8.240 nan 0.000 0.456 407 S N 0.665 116.324 115.700 -0.069 0.000 2.481 407 S HA 0.087 4.557 4.470 -0.000 0.000 0.231 407 S C 1.943 176.523 174.600 -0.032 0.000 0.996 407 S CA 0.303 58.471 58.200 -0.053 0.000 0.942 407 S CB -0.535 62.637 63.200 -0.047 0.000 0.768 407 S HN 0.493 nan 8.310 nan 0.000 0.520 408 L N 1.134 122.341 121.223 -0.027 0.000 2.362 408 L HA -0.018 4.322 4.340 -0.000 0.000 0.219 408 L C 2.388 179.261 176.870 0.004 0.000 1.134 408 L CA 0.461 55.297 54.840 -0.005 0.000 0.807 408 L CB -0.569 41.491 42.059 0.001 0.000 0.927 408 L HN 0.241 nan 8.230 nan 0.000 0.447 409 V N -0.077 119.827 119.914 -0.017 0.000 2.317 409 V HA -0.351 3.769 4.120 -0.000 0.000 0.251 409 V C 2.070 178.174 176.094 0.017 0.000 1.065 409 V CA 2.054 64.349 62.300 -0.008 0.000 1.049 409 V CB -0.496 31.273 31.823 -0.088 0.000 0.651 409 V HN 0.462 nan 8.190 nan 0.000 0.450 410 D N 0.229 120.630 120.400 0.002 0.000 2.083 410 D HA -0.073 4.567 4.640 -0.000 0.000 0.199 410 D C 2.261 178.582 176.300 0.034 0.000 0.980 410 D CA 1.712 55.722 54.000 0.017 0.000 0.851 410 D CB -0.947 39.854 40.800 0.002 0.000 0.997 410 D HN 0.328 nan 8.370 nan 0.000 0.449 411 A N 1.048 123.885 122.820 0.027 0.000 1.888 411 A HA -0.418 3.902 4.320 -0.000 0.000 0.249 411 A C 1.952 179.571 177.584 0.058 0.000 2.120 411 A CA 3.255 55.314 52.037 0.037 0.000 0.772 411 A CB -1.555 17.463 19.000 0.029 0.000 0.844 411 A HN 0.414 nan 8.150 nan 0.000 0.525 412 D N -1.053 119.383 120.400 0.060 0.000 2.106 412 D HA -0.036 4.604 4.640 -0.000 0.000 0.191 412 D C 2.041 178.405 176.300 0.108 0.000 0.997 412 D CA 2.453 56.500 54.000 0.078 0.000 0.834 412 D CB -0.349 40.490 40.800 0.065 0.000 0.956 412 D HN 0.519 nan 8.370 nan 0.000 0.448 413 A N -0.066 122.811 122.820 0.094 0.000 1.972 413 A HA -0.140 4.179 4.320 -0.000 0.000 0.219 413 A C 2.284 179.958 177.584 0.151 0.000 1.169 413 A CA 1.567 53.677 52.037 0.122 0.000 0.635 413 A CB -0.623 18.432 19.000 0.091 0.000 0.810 413 A HN 0.240 nan 8.150 nan 0.000 0.446 414 R N -0.489 120.073 120.500 0.103 0.000 2.062 414 R HA -0.067 4.273 4.340 -0.000 0.000 0.231 414 R C 2.440 178.794 176.300 0.090 0.000 1.136 414 R CA 1.391 57.540 56.100 0.083 0.000 0.948 414 R CB -0.477 29.857 30.300 0.056 0.000 0.845 414 R HN 0.433 nan 8.270 nan 0.000 0.430 415 A N 0.852 123.730 122.820 0.097 0.000 1.859 415 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 415 A C 2.052 179.702 177.584 0.110 0.000 1.209 415 A CA 1.908 54.000 52.037 0.092 0.000 0.639 415 A CB -1.173 17.888 19.000 0.102 0.000 0.835 415 A HN 0.550 nan 8.150 nan 0.000 0.450 416 F N 0.887 120.848 119.950 0.017 0.000 2.091 416 F HA -0.186 4.340 4.527 -0.000 0.000 0.299 416 F C 2.517 178.323 175.800 0.011 0.000 1.103 416 F CA 1.633 59.642 58.000 0.015 0.000 1.228 416 F CB -0.497 38.514 39.000 0.019 0.000 0.984 416 F HN 0.250 nan 8.300 nan 0.000 0.477 417 A N -0.159 122.685 122.820 0.041 0.000 2.015 417 A HA 0.077 4.397 4.320 -0.000 0.000 0.219 417 A C 2.327 179.848 177.584 -0.105 0.000 1.163 417 A CA 1.404 53.409 52.037 -0.054 0.000 0.646 417 A CB -1.362 17.673 19.000 0.059 0.000 0.806 417 A HN 0.495 nan 8.150 nan 0.000 0.448 418 A N -1.283 121.499 122.820 -0.064 0.000 1.930 418 A HA -0.079 4.241 4.320 -0.000 0.000 0.215 418 A C 2.232 179.757 177.584 -0.098 0.000 1.176 418 A CA 1.377 53.379 52.037 -0.059 0.000 0.632 418 A CB -1.133 17.854 19.000 -0.021 0.000 0.819 418 A HN 0.540 nan 8.150 nan 0.000 0.445 419 C N -1.008 118.210 119.300 -0.136 0.000 2.429 419 C HA -0.078 4.382 4.460 -0.000 0.000 0.277 419 C C 2.605 177.460 174.990 -0.225 0.000 1.262 419 C CA 1.289 60.209 59.018 -0.163 0.000 1.733 419 C CB -1.296 26.345 27.740 -0.165 0.000 2.010 419 C HN 0.724 nan 8.230 nan 0.000 0.483 420 L N 1.585 122.598 121.223 -0.350 0.000 2.056 420 L HA 0.117 4.457 4.340 -0.000 0.000 0.207 420 L C 2.344 179.109 176.870 -0.175 0.000 1.078 420 L CA 2.539 57.180 54.840 -0.332 0.000 0.749 420 L CB -1.271 40.514 42.059 -0.456 0.000 0.901 420 L HN 0.272 nan 8.230 nan 0.000 0.433 421 G N -0.716 108.002 108.800 -0.137 0.000 2.440 421 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.218 421 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.218 421 G C 1.549 176.408 174.900 -0.068 0.000 1.154 421 G CA 0.929 45.980 45.100 -0.081 0.000 0.767 421 G HN 0.677 nan 8.290 nan 0.000 0.552 422 A N 1.076 123.850 122.820 -0.075 0.000 1.835 422 A HA 0.025 4.345 4.320 -0.000 0.000 0.215 422 A C 2.370 179.918 177.584 -0.060 0.000 1.199 422 A CA 1.364 53.365 52.037 -0.060 0.000 0.615 422 A CB -0.604 18.360 19.000 -0.059 0.000 0.838 422 A HN 0.313 nan 8.150 nan 0.000 0.444 423 I N -0.322 120.203 120.570 -0.075 0.000 2.147 423 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 423 I C 2.143 178.230 176.117 -0.051 0.000 1.059 423 I CA 2.146 63.407 61.300 -0.065 0.000 1.320 423 I CB -0.216 37.736 38.000 -0.082 0.000 1.021 423 I HN 0.320 nan 8.210 nan 0.000 0.415 424 K N 1.276 121.643 120.400 -0.056 0.000 2.706 424 K HA 0.096 4.416 4.320 -0.000 0.000 0.217 424 K C -0.023 176.558 176.600 -0.032 0.000 1.019 424 K CA 0.257 56.519 56.287 -0.041 0.000 1.181 424 K CB -0.313 32.160 32.500 -0.044 0.000 0.940 424 K HN 0.181 nan 8.250 nan 0.000 0.491 425 L N 1.295 122.500 121.223 -0.031 0.000 2.287 425 L HA 0.304 4.644 4.340 -0.000 0.000 0.287 425 L C -1.647 175.211 176.870 -0.020 0.000 1.022 425 L CA -2.384 52.441 54.840 -0.025 0.000 0.814 425 L CB 1.346 43.389 42.059 -0.027 0.000 1.217 425 L HN 0.123 nan 8.230 nan 0.000 0.420 426 P HA -0.232 nan 4.420 nan 0.000 0.241 426 P C -0.622 176.671 177.300 -0.013 0.000 0.811 426 P CA 1.187 64.279 63.100 -0.013 0.000 1.119 426 P CB 0.150 31.844 31.700 -0.010 0.000 0.732 427 K N -4.163 116.230 120.400 -0.012 0.000 9.935 427 K HA -0.047 4.273 4.320 -0.000 0.000 1.120 427 K C -0.139 176.456 176.600 -0.009 0.000 0.941 427 K CA 0.048 56.328 56.287 -0.011 0.000 0.774 427 K CB -0.813 31.680 32.500 -0.011 0.000 1.424 427 K HN 0.360 nan 8.250 nan 0.000 0.593 428 N N -1.710 116.985 118.700 -0.008 0.000 1.649 428 N HA -0.177 4.563 4.740 -0.000 0.000 0.208 428 N C -0.427 175.079 175.510 -0.006 0.000 1.562 428 N CA 1.877 54.922 53.050 -0.007 0.000 4.160 428 N CB -0.982 37.501 38.487 -0.006 0.000 0.764 428 N HN 0.779 nan 8.380 nan 0.000 0.420 429 T N 2.562 117.113 114.554 -0.006 0.000 2.897 429 T HA 0.351 4.701 4.350 -0.000 0.000 0.294 429 T C -1.303 173.394 174.700 -0.005 0.000 1.004 429 T CA -0.946 61.151 62.100 -0.005 0.000 1.106 429 T CB 1.918 70.784 68.868 -0.004 0.000 0.949 429 T HN 0.055 nan 8.240 nan 0.000 0.520 430 P HA -0.163 nan 4.420 nan 0.000 0.216 430 P C 1.218 178.515 177.300 -0.005 0.000 1.150 430 P CA 1.259 64.356 63.100 -0.005 0.000 0.843 430 P CB 0.168 31.866 31.700 -0.004 0.000 0.787 431 E N 0.448 120.646 120.200 -0.005 0.000 2.085 431 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 431 E C 1.074 177.671 176.600 -0.006 0.000 0.994 431 E CA 0.898 57.295 56.400 -0.004 0.000 0.801 431 E CB -0.039 29.659 29.700 -0.004 0.000 0.743 431 E HN 0.227 nan 8.360 nan 0.000 0.453 432 E N -0.645 119.551 120.200 -0.006 0.000 3.659 432 E HA 0.080 4.430 4.350 -0.000 0.000 0.217 432 E C 0.302 176.896 176.600 -0.009 0.000 1.141 432 E CA -0.242 56.154 56.400 -0.008 0.000 1.340 432 E CB 0.492 30.187 29.700 -0.008 0.000 1.295 432 E HN -0.026 nan 8.360 nan 0.000 0.434 433 R N 0.284 120.778 120.500 -0.009 0.000 2.493 433 R HA 0.110 4.449 4.340 -0.000 0.000 0.177 433 R C 0.695 176.988 176.300 -0.011 0.000 0.861 433 R CA 0.761 56.855 56.100 -0.010 0.000 1.083 433 R CB -0.118 30.176 30.300 -0.009 0.000 1.328 433 R HN 0.114 nan 8.270 nan 0.000 0.615 434 D N 0.395 120.789 120.400 -0.010 0.000 2.378 434 D HA -0.034 4.606 4.640 -0.000 0.000 0.222 434 D C 1.260 177.554 176.300 -0.010 0.000 0.980 434 D CA 0.689 54.683 54.000 -0.010 0.000 0.907 434 D CB 0.249 41.044 40.800 -0.007 0.000 0.899 434 D HN 0.177 nan 8.370 nan 0.000 0.527 435 R N -0.122 120.372 120.500 -0.010 0.000 2.287 435 R HA 0.156 4.496 4.340 -0.000 0.000 0.197 435 R C 2.022 178.314 176.300 -0.014 0.000 0.900 435 R CA -0.130 55.964 56.100 -0.010 0.000 1.052 435 R CB 0.376 30.671 30.300 -0.008 0.000 1.117 435 R HN -0.138 nan 8.270 nan 0.000 0.568 436 R N -0.119 120.372 120.500 -0.015 0.000 2.073 436 R HA -0.108 4.232 4.340 -0.000 0.000 0.234 436 R C 1.591 177.878 176.300 -0.022 0.000 1.134 436 R CA 2.109 58.197 56.100 -0.019 0.000 0.952 436 R CB -0.681 29.608 30.300 -0.018 0.000 0.850 436 R HN 0.168 nan 8.270 nan 0.000 0.433 437 T N 0.390 114.931 114.554 -0.021 0.000 2.635 437 T HA -0.245 4.105 4.350 -0.000 0.000 0.267 437 T C 2.028 176.713 174.700 -0.026 0.000 1.040 437 T CA 1.815 63.901 62.100 -0.023 0.000 1.156 437 T CB -0.640 68.217 68.868 -0.020 0.000 0.863 437 T HN 0.622 nan 8.240 nan 0.000 0.430 438 C N 1.519 120.806 119.300 -0.021 0.000 2.411 438 C HA 0.121 4.581 4.460 -0.000 0.000 0.279 438 C C 2.950 177.926 174.990 -0.024 0.000 1.288 438 C CA 1.071 60.076 59.018 -0.021 0.000 1.764 438 C CB -1.592 26.139 27.740 -0.014 0.000 1.974 438 C HN 0.612 nan 8.230 nan 0.000 0.498 439 A N -0.024 122.782 122.820 -0.024 0.000 1.975 439 A HA 0.121 4.441 4.320 -0.000 0.000 0.215 439 A C 2.041 179.605 177.584 -0.033 0.000 1.170 439 A CA 1.269 53.291 52.037 -0.025 0.000 0.656 439 A CB -0.702 18.285 19.000 -0.022 0.000 0.821 439 A HN 0.618 nan 8.150 nan 0.000 0.449 440 L N -0.267 120.933 121.223 -0.038 0.000 2.046 440 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 440 L C 2.303 179.142 176.870 -0.052 0.000 1.077 440 L CA 2.597 57.409 54.840 -0.046 0.000 0.747 440 L CB -1.048 40.985 42.059 -0.044 0.000 0.896 440 L HN 0.404 nan 8.230 nan 0.000 0.432 441 Q N -0.082 119.685 119.800 -0.054 0.000 2.045 441 Q HA -0.235 4.105 4.340 -0.000 0.000 0.206 441 Q C 2.302 178.255 176.000 -0.079 0.000 0.991 441 Q CA 2.016 57.775 55.803 -0.073 0.000 0.851 441 Q CB -0.423 28.273 28.738 -0.069 0.000 0.911 441 Q HN 0.523 nan 8.270 nan 0.000 0.418 442 E N -0.755 119.413 120.200 -0.054 0.000 2.265 442 E HA -0.117 4.232 4.350 -0.000 0.000 0.196 442 E C 1.512 178.091 176.600 -0.034 0.000 0.996 442 E CA 0.868 57.244 56.400 -0.039 0.000 0.832 442 E CB -0.259 29.429 29.700 -0.020 0.000 0.756 442 E HN 0.472 nan 8.360 nan 0.000 0.491 443 G N 1.667 110.442 108.800 -0.041 0.000 2.705 443 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.214 443 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.214 443 G C 1.642 176.521 174.900 -0.036 0.000 1.321 443 G CA 1.079 46.156 45.100 -0.039 0.000 0.826 443 G HN 0.264 nan 8.290 nan 0.000 0.595 444 L N -0.090 121.104 121.223 -0.048 0.000 2.082 444 L HA -0.301 4.039 4.340 -0.000 0.000 0.223 444 L C 2.987 179.821 176.870 -0.059 0.000 1.086 444 L CA 1.949 56.760 54.840 -0.049 0.000 0.793 444 L CB -0.798 41.218 42.059 -0.072 0.000 0.896 444 L HN 0.223 nan 8.230 nan 0.000 0.441 445 R N 0.038 120.479 120.500 -0.098 0.000 2.196 445 R HA -0.310 4.029 4.340 -0.000 0.000 0.244 445 R C 2.388 178.694 176.300 0.009 0.000 1.121 445 R CA 2.712 58.759 56.100 -0.087 0.000 0.930 445 R CB -0.606 29.660 30.300 -0.057 0.000 0.890 445 R HN 0.580 nan 8.270 nan 0.000 0.435 446 Q N -0.790 119.021 119.800 0.019 0.000 2.020 446 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 446 Q C 2.220 178.249 176.000 0.048 0.000 0.982 446 Q CA 1.605 57.433 55.803 0.041 0.000 0.838 446 Q CB -0.260 28.498 28.738 0.033 0.000 0.899 446 Q HN 0.447 nan 8.270 nan 0.000 0.423 447 A N 0.528 123.372 122.820 0.040 0.000 1.927 447 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 447 A C 2.361 179.980 177.584 0.058 0.000 1.185 447 A CA 1.826 53.899 52.037 0.060 0.000 0.639 447 A CB -0.918 18.116 19.000 0.058 0.000 0.820 447 A HN 0.237 nan 8.150 nan 0.000 0.451 448 V N -0.509 119.432 119.914 0.044 0.000 2.270 448 V HA -0.190 3.930 4.120 -0.000 0.000 0.245 448 V C 3.063 179.207 176.094 0.084 0.000 1.043 448 V CA 1.870 64.206 62.300 0.059 0.000 1.014 448 V CB -1.221 30.636 31.823 0.056 0.000 0.645 448 V HN 0.641 nan 8.190 nan 0.000 0.447 449 A N -0.151 122.729 122.820 0.100 0.000 1.997 449 A HA -0.225 4.095 4.320 -0.000 0.000 0.221 449 A C 2.445 180.070 177.584 0.067 0.000 1.172 449 A CA 2.386 54.483 52.037 0.100 0.000 0.645 449 A CB -0.799 18.263 19.000 0.104 0.000 0.813 449 A HN 0.526 nan 8.150 nan 0.000 0.454 450 V N -0.320 119.630 119.914 0.061 0.000 2.255 450 V HA -0.064 4.056 4.120 -0.000 0.000 0.243 450 V C -0.253 175.868 176.094 0.046 0.000 1.038 450 V CA 2.080 64.410 62.300 0.049 0.000 1.008 450 V CB -1.386 30.467 31.823 0.050 0.000 0.645 450 V HN 0.392 nan 8.190 nan 0.000 0.449 451 P HA -0.177 nan 4.420 nan 0.000 0.216 451 P C 2.195 179.520 177.300 0.041 0.000 1.157 451 P CA 1.915 65.046 63.100 0.051 0.000 0.880 451 P CB -0.325 31.409 31.700 0.057 0.000 0.791 452 L N -0.185 121.065 121.223 0.045 0.000 2.013 452 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 452 L C 2.033 178.919 176.870 0.026 0.000 1.073 452 L CA 2.235 57.099 54.840 0.040 0.000 0.753 452 L CB -1.427 40.667 42.059 0.059 0.000 0.890 452 L HN -0.060 nan 8.230 nan 0.000 0.432 453 K N 0.098 120.513 120.400 0.025 0.000 1.991 453 K HA -0.215 4.105 4.320 -0.000 0.000 0.212 453 K C 2.212 178.813 176.600 0.001 0.000 1.049 453 K CA 1.747 58.040 56.287 0.011 0.000 0.932 453 K CB -1.090 31.417 32.500 0.012 0.000 0.717 453 K HN 0.393 nan 8.250 nan 0.000 0.441 454 L N 0.834 122.062 121.223 0.008 0.000 2.103 454 L HA -0.237 4.103 4.340 -0.000 0.000 0.215 454 L C 2.003 178.870 176.870 -0.006 0.000 1.080 454 L CA 2.508 57.350 54.840 0.002 0.000 0.764 454 L CB -1.037 41.034 42.059 0.021 0.000 0.890 454 L HN 0.191 nan 8.230 nan 0.000 0.435 455 A N -0.746 122.077 122.820 0.006 0.000 1.823 455 A HA -0.112 4.208 4.320 -0.000 0.000 0.214 455 A C 1.977 179.556 177.584 -0.008 0.000 1.225 455 A CA 1.218 53.258 52.037 0.005 0.000 0.604 455 A CB -0.843 18.168 19.000 0.019 0.000 0.878 455 A HN 0.515 nan 8.150 nan 0.000 0.450 456 E N -0.580 119.618 120.200 -0.002 0.000 2.196 456 E HA -0.334 4.015 4.350 -0.000 0.000 0.222 456 E C 2.128 178.707 176.600 -0.036 0.000 1.072 456 E CA 2.292 58.685 56.400 -0.010 0.000 0.902 456 E CB -1.222 28.473 29.700 -0.009 0.000 0.780 456 E HN 0.696 nan 8.360 nan 0.000 0.467 457 T N 0.303 114.829 114.554 -0.047 0.000 2.746 457 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 457 T C 2.009 176.632 174.700 -0.128 0.000 1.039 457 T CA 1.618 63.673 62.100 -0.075 0.000 1.142 457 T CB -0.273 68.558 68.868 -0.063 0.000 0.866 457 T HN 0.070 nan 8.240 nan 0.000 0.444 458 V N 1.121 120.950 119.914 -0.143 0.000 2.667 458 V HA -0.003 4.117 4.120 -0.000 0.000 0.252 458 V C 2.669 178.513 176.094 -0.417 0.000 1.065 458 V CA 2.242 64.383 62.300 -0.265 0.000 1.083 458 V CB -0.704 30.986 31.823 -0.221 0.000 0.692 458 V HN 0.679 nan 8.190 nan 0.000 0.468 459 S N -1.126 114.454 115.700 -0.199 0.000 2.474 459 S HA -0.201 4.268 4.470 -0.000 0.000 0.235 459 S C 1.864 176.454 174.600 -0.017 0.000 0.997 459 S CA 1.694 59.873 58.200 -0.035 0.000 0.949 459 S CB -0.205 63.053 63.200 0.097 0.000 0.766 459 S HN 0.774 nan 8.310 nan 0.000 0.517 460 Q N -0.451 119.281 119.800 -0.113 0.000 2.269 460 Q HA 0.134 4.474 4.340 -0.000 0.000 0.201 460 Q C 1.373 177.280 176.000 -0.156 0.000 0.946 460 Q CA 0.635 56.382 55.803 -0.094 0.000 0.877 460 Q CB 0.045 28.718 28.738 -0.108 0.000 0.963 460 Q HN 0.413 nan 8.270 nan 0.000 0.472 461 L N -1.329 119.717 121.223 -0.295 0.000 2.291 461 L HA -0.075 4.265 4.340 -0.000 0.000 0.214 461 L C 1.376 178.150 176.870 -0.160 0.000 1.120 461 L CA 1.184 55.780 54.840 -0.406 0.000 0.799 461 L CB -1.078 40.694 42.059 -0.479 0.000 0.925 461 L HN 0.328 nan 8.230 nan 0.000 0.446 462 W N 1.516 122.804 121.300 -0.020 0.000 2.289 462 W HA -0.273 4.387 4.660 0.000 0.000 0.331 462 W C 0.082 176.617 176.519 0.027 0.000 1.283 462 W CA 1.352 58.711 57.345 0.023 0.000 1.252 462 W CB -1.755 27.706 29.460 0.002 0.000 1.153 462 W HN 0.152 nan 8.180 nan 0.000 0.467 463 P HA -0.159 nan 4.420 nan 0.000 0.217 463 P C 1.158 178.527 177.300 0.116 0.000 1.150 463 P CA 2.743 65.927 63.100 0.139 0.000 0.832 463 P CB -0.394 31.352 31.700 0.076 0.000 0.787 464 A N -0.081 122.780 122.820 0.068 0.000 1.930 464 A HA -0.131 4.188 4.320 -0.000 0.000 0.217 464 A C 2.249 180.000 177.584 0.279 0.000 1.175 464 A CA 1.272 53.359 52.037 0.083 0.000 0.627 464 A CB -1.626 17.315 19.000 -0.098 0.000 0.815 464 A HN 0.170 nan 8.150 nan 0.000 0.443 465 L N -0.300 121.171 121.223 0.413 0.000 2.042 465 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 465 L C 2.496 179.529 176.870 0.270 0.000 1.076 465 L CA 2.730 57.865 54.840 0.491 0.000 0.749 465 L CB -0.667 41.694 42.059 0.504 0.000 0.893 465 L HN 0.504 nan 8.230 nan 0.000 0.432 466 Q N -0.033 119.913 119.800 0.244 0.000 2.061 466 Q HA -0.294 4.045 4.340 -0.000 0.000 0.204 466 Q C 2.258 178.323 176.000 0.108 0.000 0.984 466 Q CA 2.402 58.298 55.803 0.156 0.000 0.846 466 Q CB -0.318 28.498 28.738 0.129 0.000 0.902 466 Q HN 0.711 nan 8.270 nan 0.000 0.421 467 E N -0.974 119.290 120.200 0.107 0.000 2.158 467 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 467 E C 1.738 178.379 176.600 0.068 0.000 0.982 467 E CA 0.695 57.140 56.400 0.074 0.000 0.823 467 E CB -0.086 29.652 29.700 0.063 0.000 0.766 467 E HN 0.407 nan 8.360 nan 0.000 0.468 468 L N 0.556 121.836 121.223 0.095 0.000 2.217 468 L HA 0.079 4.419 4.340 -0.000 0.000 0.211 468 L C 2.061 178.944 176.870 0.021 0.000 1.107 468 L CA 1.729 56.602 54.840 0.056 0.000 0.783 468 L CB -0.319 41.784 42.059 0.072 0.000 0.919 468 L HN 0.158 nan 8.230 nan 0.000 0.442 469 A N -1.484 121.363 122.820 0.044 0.000 2.067 469 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 469 A C 2.058 179.656 177.584 0.023 0.000 1.156 469 A CA 0.731 52.787 52.037 0.030 0.000 0.683 469 A CB -0.274 18.758 19.000 0.054 0.000 0.808 469 A HN 0.514 nan 8.150 nan 0.000 0.455 470 Q N 0.225 120.042 119.800 0.028 0.000 1.941 470 Q HA -0.094 4.246 4.340 -0.000 0.000 0.201 470 Q C 2.200 178.211 176.000 0.019 0.000 0.982 470 Q CA 1.664 57.482 55.803 0.024 0.000 0.839 470 Q CB -1.077 27.678 28.738 0.028 0.000 0.904 470 Q HN 0.849 nan 8.270 nan 0.000 0.427 471 C N -1.376 117.934 119.300 0.016 0.000 1.519 471 C HA 0.773 5.233 4.460 -0.000 0.000 0.102 471 C C 1.044 176.013 174.990 -0.037 0.000 2.907 471 C CA 0.098 59.121 59.018 0.007 0.000 1.855 471 C CB -0.589 27.165 27.740 0.023 0.000 2.468 471 C HN 0.790 nan 8.230 nan 0.000 0.256 472 G N 2.391 111.131 108.800 -0.100 0.000 3.429 472 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.605 472 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.605 472 G C 0.114 174.902 174.900 -0.186 0.000 0.973 472 G CA 0.490 45.493 45.100 -0.162 0.000 0.774 472 G HN 1.319 nan 8.290 nan 0.000 0.422 473 N N 0.662 119.148 118.700 -0.357 0.000 1.029 473 N HA -0.319 4.421 4.740 -0.000 0.000 0.151 473 N C 1.547 177.022 175.510 -0.058 0.000 0.304 473 N CA 2.881 55.756 53.050 -0.291 0.000 0.986 473 N CB -0.457 37.945 38.487 -0.142 0.000 1.631 473 N HN 1.666 nan 8.380 nan 0.000 0.459 474 L N -3.220 118.000 121.223 -0.004 0.000 1.455 474 L HA -0.107 4.232 4.340 -0.000 0.000 0.477 474 L C 1.163 178.054 176.870 0.035 0.000 0.852 474 L CA 0.833 55.688 54.840 0.026 0.000 2.245 474 L CB -1.416 40.678 42.059 0.060 0.000 1.468 474 L HN 0.322 nan 8.230 nan 0.000 0.523 475 S N -0.749 114.984 115.700 0.055 0.000 2.561 475 S HA 0.008 4.478 4.470 -0.000 0.000 0.225 475 S C 1.077 175.695 174.600 0.030 0.000 0.977 475 S CA 0.902 59.132 58.200 0.050 0.000 0.926 475 S CB -0.479 62.764 63.200 0.071 0.000 0.769 475 S HN 0.626 nan 8.310 nan 0.000 0.533 476 C N 1.183 120.491 119.300 0.013 0.000 2.688 476 C HA 0.381 4.841 4.460 -0.000 0.000 0.297 476 C C 1.870 176.855 174.990 -0.008 0.000 1.308 476 C CA -0.737 58.280 59.018 -0.002 0.000 1.726 476 C CB -1.751 25.977 27.740 -0.019 0.000 1.982 476 C HN 0.519 nan 8.230 nan 0.000 0.604 477 L N 2.633 123.857 121.223 0.002 0.000 1.976 477 L HA -0.258 4.082 4.340 -0.000 0.000 0.223 477 L C 2.891 179.762 176.870 0.001 0.000 1.081 477 L CA 2.845 57.687 54.840 0.002 0.000 0.784 477 L CB -0.718 41.347 42.059 0.011 0.000 0.896 477 L HN 0.518 nan 8.230 nan 0.000 0.438 478 S N -1.081 114.622 115.700 0.005 0.000 2.380 478 S HA -0.330 4.140 4.470 -0.000 0.000 0.229 478 S C 1.823 176.422 174.600 -0.000 0.000 1.050 478 S CA 1.860 60.063 58.200 0.005 0.000 1.100 478 S CB -1.134 62.070 63.200 0.007 0.000 0.984 478 S HN 0.594 nan 8.310 nan 0.000 0.434 479 D N 1.161 121.556 120.400 -0.008 0.000 2.182 479 D HA -0.031 4.609 4.640 -0.000 0.000 0.201 479 D C 2.042 178.323 176.300 -0.031 0.000 0.986 479 D CA 0.848 54.837 54.000 -0.019 0.000 0.847 479 D CB -0.282 40.503 40.800 -0.026 0.000 0.942 479 D HN 0.294 nan 8.370 nan 0.000 0.467 480 L N 1.120 122.325 121.223 -0.031 0.000 2.072 480 L HA -0.112 4.228 4.340 -0.000 0.000 0.205 480 L C 2.432 179.301 176.870 -0.001 0.000 1.079 480 L CA 1.308 56.127 54.840 -0.035 0.000 0.752 480 L CB -0.853 41.187 42.059 -0.033 0.000 0.906 480 L HN 0.105 nan 8.230 nan 0.000 0.436 481 Q N -0.855 118.952 119.800 0.011 0.000 2.030 481 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 481 Q C 2.169 178.190 176.000 0.034 0.000 0.986 481 Q CA 1.657 57.476 55.803 0.028 0.000 0.843 481 Q CB -0.509 28.242 28.738 0.022 0.000 0.904 481 Q HN 0.320 nan 8.270 nan 0.000 0.420 482 V N 1.601 121.527 119.914 0.021 0.000 2.287 482 V HA -0.328 3.792 4.120 -0.000 0.000 0.248 482 V C 2.445 178.557 176.094 0.029 0.000 1.053 482 V CA 1.918 64.232 62.300 0.024 0.000 1.027 482 V CB -1.240 30.591 31.823 0.012 0.000 0.646 482 V HN 0.443 nan 8.190 nan 0.000 0.447 483 A N 0.139 122.964 122.820 0.008 0.000 1.865 483 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 483 A C 2.474 180.086 177.584 0.046 0.000 1.191 483 A CA 2.577 54.609 52.037 -0.008 0.000 0.623 483 A CB -1.034 17.923 19.000 -0.072 0.000 0.826 483 A HN 0.613 nan 8.150 nan 0.000 0.444 484 A N -0.742 122.133 122.820 0.092 0.000 1.865 484 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 484 A C 2.142 179.860 177.584 0.223 0.000 1.191 484 A CA 2.085 54.248 52.037 0.210 0.000 0.623 484 A CB -0.460 18.653 19.000 0.188 0.000 0.826 484 A HN 0.334 nan 8.150 nan 0.000 0.444 485 K N -0.294 120.192 120.400 0.143 0.000 2.097 485 K HA -0.046 4.274 4.320 -0.000 0.000 0.206 485 K C 2.228 178.912 176.600 0.141 0.000 1.049 485 K CA 1.362 57.731 56.287 0.136 0.000 0.933 485 K CB -0.719 31.832 32.500 0.084 0.000 0.717 485 K HN 0.472 nan 8.250 nan 0.000 0.442 486 A N 0.703 123.586 122.820 0.104 0.000 1.873 486 A HA -0.102 4.218 4.320 -0.000 0.000 0.215 486 A C 2.246 179.890 177.584 0.100 0.000 1.186 486 A CA 1.067 53.156 52.037 0.087 0.000 0.616 486 A CB -0.508 18.522 19.000 0.050 0.000 0.823 486 A HN 0.183 nan 8.150 nan 0.000 0.442 487 L N -0.129 121.141 121.223 0.078 0.000 2.131 487 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 487 L C 2.449 179.416 176.870 0.162 0.000 1.092 487 L CA 1.959 56.808 54.840 0.014 0.000 0.759 487 L CB -0.459 41.470 42.059 -0.215 0.000 0.903 487 L HN 0.616 nan 8.230 nan 0.000 0.435 488 E N -0.305 120.082 120.200 0.313 0.000 2.031 488 E HA -0.276 4.074 4.350 -0.000 0.000 0.193 488 E C 2.198 179.037 176.600 0.397 0.000 0.994 488 E CA 1.899 58.548 56.400 0.415 0.000 0.800 488 E CB -0.084 29.848 29.700 0.386 0.000 0.752 488 E HN 0.495 nan 8.360 nan 0.000 0.447 489 T N -1.734 113.020 114.554 0.333 0.000 2.995 489 T HA 0.003 4.353 4.350 -0.000 0.000 0.269 489 T C 1.847 176.725 174.700 0.296 0.000 1.091 489 T CA 1.226 63.537 62.100 0.351 0.000 1.128 489 T CB -0.483 68.495 68.868 0.184 0.000 0.891 489 T HN 0.268 nan 8.240 nan 0.000 0.492 490 G N 1.487 110.407 108.800 0.200 0.000 2.491 490 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.218 490 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.218 490 G C 1.647 176.626 174.900 0.130 0.000 1.180 490 G CA 1.394 46.577 45.100 0.137 0.000 0.774 490 G HN 0.532 nan 8.290 nan 0.000 0.562 491 V N 0.141 120.124 119.914 0.115 0.000 2.490 491 V HA -0.099 4.021 4.120 -0.000 0.000 0.250 491 V C 2.431 178.496 176.094 -0.049 0.000 1.061 491 V CA 1.485 63.808 62.300 0.038 0.000 1.064 491 V CB -0.765 31.080 31.823 0.037 0.000 0.670 491 V HN 0.282 nan 8.190 nan 0.000 0.461 492 F N 1.763 121.687 119.950 -0.042 0.000 2.026 492 F HA -0.084 4.443 4.527 -0.000 0.000 0.296 492 F C 2.613 178.245 175.800 -0.279 0.000 1.133 492 F CA 2.137 59.993 58.000 -0.240 0.000 1.188 492 F CB -1.221 37.755 39.000 -0.039 0.000 0.968 492 F HN 0.201 nan 8.300 nan 0.000 0.476 493 G N -0.418 108.572 108.800 0.317 0.000 2.574 493 G HA2 -0.360 3.599 3.960 -0.000 0.000 0.220 493 G HA3 -0.360 3.599 3.960 -0.000 0.000 0.220 493 G C 1.824 176.854 174.900 0.215 0.000 1.173 493 G CA 1.317 46.644 45.100 0.378 0.000 0.772 493 G HN 0.537 nan 8.290 nan 0.000 0.585 494 A N 0.133 123.022 122.820 0.115 0.000 1.873 494 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 494 A C 2.173 179.783 177.584 0.043 0.000 1.193 494 A CA 1.970 54.051 52.037 0.073 0.000 0.629 494 A CB -0.969 18.061 19.000 0.049 0.000 0.826 494 A HN 0.591 nan 8.150 nan 0.000 0.447 495 Y N -0.194 120.003 120.300 -0.172 0.000 1.993 495 Y HA -0.367 4.182 4.550 -0.000 0.000 0.267 495 Y C 2.116 177.944 175.900 -0.120 0.000 1.155 495 Y CA 2.565 60.522 58.100 -0.239 0.000 1.105 495 Y CB -0.763 37.411 38.460 -0.477 0.000 0.960 495 Y HN 0.313 nan 8.280 nan 0.000 0.486 496 F N 0.278 120.297 119.950 0.115 0.000 2.091 496 F HA -0.309 4.218 4.527 -0.000 0.000 0.299 496 F C 2.235 177.993 175.800 -0.070 0.000 1.103 496 F CA 1.843 59.842 58.000 -0.002 0.000 1.228 496 F CB -0.917 38.167 39.000 0.141 0.000 0.984 496 F HN 0.129 nan 8.300 nan 0.000 0.477 497 N N 0.099 118.911 118.700 0.186 0.000 2.223 497 N HA -0.132 4.608 4.740 -0.000 0.000 0.185 497 N C 1.685 177.220 175.510 0.042 0.000 1.016 497 N CA 1.153 54.272 53.050 0.115 0.000 0.863 497 N CB -0.174 38.386 38.487 0.120 0.000 0.983 497 N HN 0.026 nan 8.380 nan 0.000 0.429 498 V N 0.498 120.404 119.914 -0.012 0.000 2.244 498 V HA -0.193 3.926 4.120 -0.000 0.000 0.244 498 V C 2.083 178.140 176.094 -0.062 0.000 1.042 498 V CA 1.257 63.538 62.300 -0.032 0.000 1.006 498 V CB -0.825 30.968 31.823 -0.051 0.000 0.641 498 V HN 0.165 nan 8.190 nan 0.000 0.446 499 L N -0.136 120.991 121.223 -0.161 0.000 1.957 499 L HA -0.281 4.059 4.340 -0.000 0.000 0.228 499 L C 2.398 179.242 176.870 -0.043 0.000 1.086 499 L CA 2.533 57.292 54.840 -0.135 0.000 0.796 499 L CB -0.784 41.140 42.059 -0.225 0.000 0.900 499 L HN 0.270 nan 8.230 nan 0.000 0.439 500 I N -0.733 119.833 120.570 -0.008 0.000 2.290 500 I HA -0.427 3.743 4.170 -0.000 0.000 0.253 500 I C 1.974 178.098 176.117 0.011 0.000 1.112 500 I CA 1.939 63.249 61.300 0.016 0.000 1.377 500 I CB -0.141 37.883 38.000 0.039 0.000 1.060 500 I HN 0.479 nan 8.210 nan 0.000 0.428 501 N N 0.221 118.925 118.700 0.007 0.000 2.173 501 N HA -0.097 4.643 4.740 -0.000 0.000 0.184 501 N C 1.637 177.132 175.510 -0.025 0.000 1.025 501 N CA 0.861 53.910 53.050 -0.002 0.000 0.852 501 N CB -0.158 38.332 38.487 0.005 0.000 0.998 501 N HN 0.144 nan 8.380 nan 0.000 0.427 502 L N 1.677 122.883 121.223 -0.028 0.000 2.270 502 L HA -0.197 4.143 4.340 -0.000 0.000 0.217 502 L C 1.963 178.816 176.870 -0.028 0.000 1.107 502 L CA 1.337 56.156 54.840 -0.036 0.000 0.772 502 L CB -0.301 41.751 42.059 -0.010 0.000 0.902 502 L HN 0.156 nan 8.230 nan 0.000 0.439 503 K N -0.061 120.329 120.400 -0.017 0.000 2.009 503 K HA -0.134 4.186 4.320 -0.000 0.000 0.210 503 K C 0.424 177.014 176.600 -0.017 0.000 1.049 503 K CA 1.479 57.760 56.287 -0.010 0.000 0.929 503 K CB -0.431 32.068 32.500 -0.001 0.000 0.714 503 K HN 0.448 nan 8.250 nan 0.000 0.440 507 D N 1.328 121.718 120.400 -0.016 0.000 2.834 507 D HA -0.018 4.622 4.640 -0.000 0.000 0.091 507 D C 0.063 176.398 176.300 0.059 0.000 0.800 507 D CA 0.064 54.074 54.000 0.017 0.000 1.263 507 D CB -0.955 39.840 40.800 -0.007 0.000 0.623 507 D HN 0.512 nan 8.370 nan 0.000 0.579 508 D N -0.049 120.380 120.400 0.049 0.000 2.178 508 D HA -0.092 4.548 4.640 -0.000 0.000 0.201 508 D C 2.286 178.637 176.300 0.085 0.000 0.980 508 D CA 1.440 55.473 54.000 0.056 0.000 0.842 508 D CB 0.162 40.984 40.800 0.036 0.000 0.948 508 D HN 0.387 nan 8.370 nan 0.000 0.472 509 V N 1.127 121.094 119.914 0.088 0.000 2.215 509 V HA -0.303 3.817 4.120 -0.000 0.000 0.246 509 V C 2.155 178.336 176.094 0.145 0.000 1.047 509 V CA 1.869 64.222 62.300 0.088 0.000 0.999 509 V CB -1.093 30.772 31.823 0.071 0.000 0.635 509 V HN 0.143 nan 8.190 nan 0.000 0.450 510 F N 0.943 120.896 119.950 0.006 0.000 2.063 510 F HA -0.332 4.195 4.527 -0.000 0.000 0.297 510 F C 2.508 178.315 175.800 0.012 0.000 1.099 510 F CA 2.334 60.339 58.000 0.009 0.000 1.220 510 F CB -0.135 38.869 39.000 0.007 0.000 0.972 510 F HN 0.066 nan 8.300 nan 0.000 0.487 511 K N 0.209 120.846 120.400 0.395 0.000 1.981 511 K HA -0.321 3.999 4.320 -0.000 0.000 0.227 511 K C 1.979 178.684 176.600 0.173 0.000 1.030 511 K CA 1.794 58.219 56.287 0.231 0.000 1.042 511 K CB -0.933 31.627 32.500 0.100 0.000 0.749 511 K HN 0.351 nan 8.250 nan 0.000 0.445 512 E N 1.403 121.670 120.200 0.112 0.000 2.217 512 E HA -0.363 3.987 4.350 -0.000 0.000 0.219 512 E C 2.076 178.730 176.600 0.089 0.000 1.070 512 E CA 2.073 58.523 56.400 0.083 0.000 0.889 512 E CB -0.103 29.626 29.700 0.050 0.000 0.768 512 E HN 0.262 nan 8.360 nan 0.000 0.465 513 K N -0.581 119.864 120.400 0.075 0.000 2.002 513 K HA -0.131 4.189 4.320 -0.000 0.000 0.209 513 K C 2.179 178.828 176.600 0.083 0.000 1.048 513 K CA 2.006 58.321 56.287 0.047 0.000 0.930 513 K CB -0.205 32.282 32.500 -0.022 0.000 0.714 513 K HN 0.133 nan 8.250 nan 0.000 0.438 514 T N 0.744 115.356 114.554 0.097 0.000 2.777 514 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 514 T C 1.803 176.569 174.700 0.110 0.000 1.040 514 T CA 1.498 63.663 62.100 0.109 0.000 1.141 514 T CB -0.233 68.777 68.868 0.237 0.000 0.868 514 T HN 0.351 nan 8.240 nan 0.000 0.444 515 R N 0.389 120.962 120.500 0.121 0.000 2.113 515 R HA -0.205 4.135 4.340 -0.000 0.000 0.244 515 R C 2.410 178.787 176.300 0.128 0.000 1.142 515 R CA 1.859 58.018 56.100 0.098 0.000 0.953 515 R CB -0.437 29.924 30.300 0.102 0.000 0.860 515 R HN 0.553 nan 8.270 nan 0.000 0.438 516 H N -0.441 118.658 119.070 0.048 0.000 2.384 516 H HA -0.035 4.521 4.556 -0.000 0.000 0.300 516 H C 2.016 177.367 175.328 0.038 0.000 1.057 516 H CA 1.503 57.577 56.048 0.044 0.000 1.370 516 H CB 0.113 29.891 29.762 0.027 0.000 1.417 516 H HN 0.078 nan 8.280 nan 0.000 0.527 517 R N 1.129 121.684 120.500 0.092 0.000 2.096 517 R HA -0.141 4.199 4.340 -0.000 0.000 0.240 517 R C 2.385 178.674 176.300 -0.019 0.000 1.139 517 R CA 1.610 57.721 56.100 0.019 0.000 0.952 517 R CB -1.238 29.088 30.300 0.043 0.000 0.854 517 R HN 0.389 nan 8.270 nan 0.000 0.436 518 I N 0.578 121.163 120.570 0.025 0.000 2.163 518 I HA -0.256 3.914 4.170 -0.000 0.000 0.243 518 I C 1.866 178.034 176.117 0.085 0.000 1.085 518 I CA 2.080 63.414 61.300 0.057 0.000 1.347 518 I CB -0.552 37.480 38.000 0.053 0.000 1.044 518 I HN 0.395 nan 8.210 nan 0.000 0.408 519 S N -0.026 115.717 115.700 0.072 0.000 2.368 519 S HA -0.176 4.294 4.470 -0.000 0.000 0.224 519 S C 2.144 176.650 174.600 -0.155 0.000 1.029 519 S CA 1.182 59.400 58.200 0.030 0.000 0.988 519 S CB -1.364 61.877 63.200 0.069 0.000 0.838 519 S HN 0.622 nan 8.310 nan 0.000 0.462 520 S N 3.521 119.092 115.700 -0.215 0.000 2.372 520 S HA -0.149 4.321 4.470 -0.000 0.000 0.227 520 S C 1.877 176.392 174.600 -0.141 0.000 1.044 520 S CA 1.584 59.659 58.200 -0.208 0.000 1.050 520 S CB -1.147 61.911 63.200 -0.237 0.000 0.901 520 S HN 0.463 nan 8.310 nan 0.000 0.447 521 L N 0.559 121.724 121.223 -0.096 0.000 2.046 521 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 521 L C 2.654 179.469 176.870 -0.092 0.000 1.077 521 L CA 1.149 55.962 54.840 -0.045 0.000 0.747 521 L CB -0.662 41.395 42.059 -0.004 0.000 0.896 521 L HN 0.279 nan 8.230 nan 0.000 0.432 522 L N -0.185 120.923 121.223 -0.193 0.000 1.994 522 L HA -0.251 4.089 4.340 -0.000 0.000 0.208 522 L C 2.647 179.282 176.870 -0.392 0.000 1.071 522 L CA 1.838 56.431 54.840 -0.410 0.000 0.745 522 L CB -0.535 41.094 42.059 -0.716 0.000 0.892 522 L HN 0.257 nan 8.230 nan 0.000 0.431 523 Q N 0.274 119.886 119.800 -0.313 0.000 2.045 523 Q HA -0.321 4.019 4.340 -0.000 0.000 0.206 523 Q C 2.229 178.097 176.000 -0.221 0.000 0.991 523 Q CA 2.573 58.229 55.803 -0.244 0.000 0.851 523 Q CB -0.603 28.020 28.738 -0.190 0.000 0.911 523 Q HN 0.682 nan 8.270 nan 0.000 0.418 524 E N -0.909 119.175 120.200 -0.194 0.000 2.085 524 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 524 E C 1.777 178.153 176.600 -0.373 0.000 0.994 524 E CA 1.183 57.448 56.400 -0.225 0.000 0.801 524 E CB -0.329 29.297 29.700 -0.123 0.000 0.743 524 E HN 0.483 nan 8.360 nan 0.000 0.453 525 A N 1.399 124.086 122.820 -0.221 0.000 1.865 525 A HA -0.242 4.077 4.320 -0.000 0.000 0.217 525 A C 2.070 179.479 177.584 -0.292 0.000 1.191 525 A CA 1.944 53.889 52.037 -0.154 0.000 0.623 525 A CB -0.457 18.596 19.000 0.089 0.000 0.826 525 A HN 0.189 nan 8.150 nan 0.000 0.444 526 K N -0.676 119.585 120.400 -0.231 0.000 2.020 526 K HA -0.165 4.155 4.320 -0.000 0.000 0.212 526 K C 2.296 178.790 176.600 -0.177 0.000 1.050 526 K CA 2.170 58.376 56.287 -0.136 0.000 0.929 526 K CB -0.615 31.814 32.500 -0.119 0.000 0.714 526 K HN 0.741 nan 8.250 nan 0.000 0.443 527 T N -0.574 113.843 114.554 -0.228 0.000 2.737 527 T HA -0.180 4.170 4.350 -0.000 0.000 0.265 527 T C 2.056 176.573 174.700 -0.305 0.000 1.038 527 T CA 1.085 63.056 62.100 -0.215 0.000 1.144 527 T CB -0.286 68.472 68.868 -0.183 0.000 0.866 527 T HN 0.062 nan 8.240 nan 0.000 0.434 528 Q N 1.779 121.263 119.800 -0.527 0.000 2.050 528 Q HA 0.128 4.468 4.340 -0.000 0.000 0.202 528 Q C 2.547 178.171 176.000 -0.627 0.000 0.980 528 Q CA 1.856 57.237 55.803 -0.703 0.000 0.840 528 Q CB -1.057 26.873 28.738 -1.347 0.000 0.898 528 Q HN 0.645 nan 8.270 nan 0.000 0.424 529 A N 0.284 122.667 122.820 -0.729 0.000 1.997 529 A HA -0.201 4.119 4.320 -0.000 0.000 0.221 529 A C 2.150 179.669 177.584 -0.108 0.000 1.172 529 A CA 2.019 53.888 52.037 -0.282 0.000 0.645 529 A CB -1.206 17.755 19.000 -0.064 0.000 0.813 529 A HN 0.510 nan 8.150 nan 0.000 0.454 530 A N 0.663 123.401 122.820 -0.136 0.000 1.821 530 A HA -0.077 4.243 4.320 -0.000 0.000 0.215 530 A C 2.141 179.694 177.584 -0.053 0.000 1.216 530 A CA 1.702 53.697 52.037 -0.071 0.000 0.615 530 A CB -1.169 17.784 19.000 -0.078 0.000 0.862 530 A HN 0.880 nan 8.150 nan 0.000 0.450 531 L N -0.602 120.578 121.223 -0.071 0.000 2.051 531 L HA -0.227 4.113 4.340 -0.000 0.000 0.214 531 L C 2.297 179.159 176.870 -0.014 0.000 1.076 531 L CA 1.845 56.660 54.840 -0.042 0.000 0.758 531 L CB -1.766 40.263 42.059 -0.050 0.000 0.890 531 L HN 0.195 nan 8.230 nan 0.000 0.433 532 V N 0.908 120.819 119.914 -0.005 0.000 2.222 532 V HA -0.356 3.764 4.120 -0.000 0.000 0.252 532 V C 2.716 178.832 176.094 0.036 0.000 1.060 532 V CA 2.540 64.868 62.300 0.046 0.000 1.027 532 V CB -0.710 31.179 31.823 0.110 0.000 0.644 532 V HN 0.377 nan 8.190 nan 0.000 0.448 533 L N 0.081 121.321 121.223 0.029 0.000 2.079 533 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 533 L C 2.510 179.388 176.870 0.013 0.000 1.081 533 L CA 1.701 56.556 54.840 0.025 0.000 0.752 533 L CB -1.039 41.033 42.059 0.022 0.000 0.896 533 L HN 0.504 nan 8.230 nan 0.000 0.433 534 G N -0.909 107.893 108.800 0.004 0.000 2.666 534 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.215 534 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.215 534 G C 1.581 176.485 174.900 0.007 0.000 1.294 534 G CA 0.979 46.080 45.100 0.001 0.000 0.811 534 G HN 0.400 nan 8.290 nan 0.000 0.594 535 S N 0.939 116.644 115.700 0.009 0.000 2.406 535 S HA -0.256 4.214 4.470 -0.000 0.000 0.242 535 S C 2.329 176.939 174.600 0.015 0.000 1.079 535 S CA 1.775 59.983 58.200 0.013 0.000 1.133 535 S CB -0.652 62.560 63.200 0.020 0.000 1.005 535 S HN 0.304 nan 8.310 nan 0.000 0.443 536 L N 1.058 122.292 121.223 0.018 0.000 1.989 536 L HA -0.193 4.147 4.340 -0.000 0.000 0.211 536 L C 2.791 179.669 176.870 0.014 0.000 1.071 536 L CA 1.818 56.668 54.840 0.017 0.000 0.749 536 L CB -0.648 41.423 42.059 0.019 0.000 0.890 536 L HN 0.249 nan 8.230 nan 0.000 0.431 537 E N 0.586 120.794 120.200 0.013 0.000 2.049 537 E HA -0.260 4.090 4.350 -0.000 0.000 0.198 537 E C 2.050 178.656 176.600 0.010 0.000 1.007 537 E CA 1.843 58.250 56.400 0.011 0.000 0.809 537 E CB -0.303 29.402 29.700 0.009 0.000 0.749 537 E HN 0.388 nan 8.360 nan 0.000 0.450 538 A N -0.038 122.788 122.820 0.009 0.000 2.172 538 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 538 A C 2.126 179.717 177.584 0.011 0.000 1.154 538 A CA 1.503 53.545 52.037 0.009 0.000 0.701 538 A CB -0.510 18.494 19.000 0.007 0.000 0.789 538 A HN 0.207 nan 8.150 nan 0.000 0.465 539 R N 0.520 121.028 120.500 0.013 0.000 2.052 539 R HA 0.021 4.361 4.340 -0.000 0.000 0.226 539 R C 0.545 176.855 176.300 0.017 0.000 1.145 539 R CA 0.885 56.995 56.100 0.016 0.000 0.952 539 R CB -0.393 29.918 30.300 0.017 0.000 0.847 539 R HN 0.272 nan 8.270 nan 0.000 0.431 540 K N 2.550 122.960 120.400 0.016 0.000 3.858 540 K HA -0.209 4.110 4.320 -0.000 0.000 0.243 540 K C -0.520 176.090 176.600 0.016 0.000 0.990 540 K CA 1.040 57.337 56.287 0.016 0.000 1.078 540 K CB -0.736 31.772 32.500 0.013 0.000 1.735 540 K HN 0.537 nan 8.250 nan 0.000 0.433 541 E N 0.000 120.212 120.200 0.019 0.000 2.725 541 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 541 E CA 0.000 56.411 56.400 0.019 0.000 0.976 541 E CB 0.000 29.713 29.700 0.022 0.000 0.812 541 E HN 0.000 nan 8.360 nan 0.000 0.440