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 1q9j_1_B DATA FIRST_RESID 3 DATA SEQUENCE PGSVIRKLSH SEEVFAQYEV FTSMTIQLRG VIDVDALSDA FDALLETHPV DATA SEQUENCE LASHLEQSSD GGWNLVADDL LHSGICVIDX XXXXXXXXXX XAELRLDQSV DATA SEQUENCE SLLHLQLILR EGGAELTLYL HHCMADGHHG AVLVDELFSR YTDAVTTGDP DATA SEQUENCE GPITPQPTPL SMEAVLAQRG IRKXXXXXAE RFMSVMYAYE IPATETPAVL DATA SEQUENCE AHPGLPQAVP VTRLWLSKQQ TSDLMAFGRE HRLSLNAVVA AAILLTEWQL DATA SEQUENCE RNTPHVPIPY VYPVDLRFVL APPVAPTEAT NLLGAASYLA EIGPNTDIVD DATA SEQUENCE LASDIVATLR ADLANGVIQQ SGLHFGTAFE GTPPGLPPLV FCTDATSFPT DATA SEQUENCE MRTPPGLEIE DIKGQFYCSI SVPLDLYSCA VYAGQLIIEH HGHIAEPGKS DATA SEQUENCE LEAIRSLLCT VPSEYG 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 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.299 177.300 -0.002 0.000 1.155 3 P CA 0.000 63.096 63.100 -0.007 0.000 0.800 3 P CB 0.000 31.698 31.700 -0.004 0.000 0.726 4 G N 0.026 108.833 108.800 0.011 0.000 4.189 4 G HA2 0.335 4.295 3.960 -0.000 0.000 0.220 4 G HA3 0.335 4.295 3.960 -0.000 0.000 0.220 4 G C 0.099 175.019 174.900 0.035 0.000 1.071 4 G CA 1.046 46.164 45.100 0.031 0.000 0.854 4 G HN 0.610 nan 8.290 nan 0.000 0.426 5 S N -0.386 115.324 115.700 0.018 0.000 2.671 5 S HA 0.576 5.046 4.470 -0.000 0.000 0.272 5 S C 0.361 174.962 174.600 0.002 0.000 1.174 5 S CA -0.269 57.937 58.200 0.010 0.000 1.004 5 S CB 1.205 64.408 63.200 0.005 0.000 1.077 5 S HN 0.192 nan 8.310 nan 0.000 0.553 6 V N 3.757 123.668 119.914 -0.005 0.000 2.389 6 V HA 0.199 4.319 4.120 -0.000 0.000 0.264 6 V C 1.264 177.352 176.094 -0.011 0.000 1.049 6 V CA 0.019 62.310 62.300 -0.015 0.000 0.932 6 V CB 0.261 32.077 31.823 -0.012 0.000 1.011 6 V HN 0.802 nan 8.190 nan 0.000 0.475 7 I N 4.461 125.022 120.570 -0.015 0.000 2.127 7 I HA -0.145 4.025 4.170 -0.000 0.000 0.241 7 I C 1.319 177.434 176.117 -0.004 0.000 1.075 7 I CA 1.625 62.921 61.300 -0.008 0.000 1.334 7 I CB -0.117 37.878 38.000 -0.009 0.000 1.040 7 I HN 0.811 nan 8.210 nan 0.000 0.405 8 R N -0.025 120.472 120.500 -0.004 0.000 2.855 8 R HA 0.376 4.716 4.340 -0.000 0.000 0.274 8 R C -1.282 175.026 176.300 0.013 0.000 0.997 8 R CA -0.943 55.158 56.100 0.003 0.000 0.856 8 R CB 1.155 31.457 30.300 0.003 0.000 1.378 8 R HN -0.228 nan 8.270 nan 0.000 0.462 9 K N 1.189 121.602 120.400 0.022 0.000 2.182 9 K HA 0.417 4.737 4.320 -0.000 0.000 0.262 9 K C -0.503 176.134 176.600 0.061 0.000 0.957 9 K CA -0.762 55.555 56.287 0.050 0.000 0.842 9 K CB 1.361 33.890 32.500 0.048 0.000 1.099 9 K HN 0.486 nan 8.250 nan 0.000 0.438 10 L N 3.370 124.654 121.223 0.103 0.000 2.490 10 L HA 0.012 4.352 4.340 -0.000 0.000 0.274 10 L C 0.565 177.491 176.870 0.094 0.000 1.201 10 L CA 0.008 54.903 54.840 0.090 0.000 0.869 10 L CB 0.768 42.892 42.059 0.108 0.000 1.123 10 L HN 0.788 nan 8.230 nan 0.000 0.484 11 S N 0.765 116.492 115.700 0.045 0.000 2.601 11 S HA 0.142 4.612 4.470 -0.000 0.000 0.271 11 S C 1.083 175.727 174.600 0.074 0.000 1.305 11 S CA -0.615 57.590 58.200 0.008 0.000 1.022 11 S CB 0.698 63.868 63.200 -0.049 0.000 0.940 11 S HN 0.666 nan 8.310 nan 0.000 0.525 12 H N 1.274 120.322 119.070 -0.036 0.000 2.400 12 H HA -0.164 4.392 4.556 -0.000 0.000 0.295 12 H C 2.372 177.586 175.328 -0.190 0.000 1.118 12 H CA 1.575 57.587 56.048 -0.060 0.000 1.256 12 H CB -0.150 29.591 29.762 -0.035 0.000 1.365 12 H HN 0.838 nan 8.280 nan 0.000 0.502 13 S N 0.374 115.964 115.700 -0.184 0.000 2.515 13 S HA -0.083 4.387 4.470 -0.000 0.000 0.231 13 S C 1.535 175.923 174.600 -0.353 0.000 0.987 13 S CA 0.976 58.798 58.200 -0.630 0.000 0.936 13 S CB 0.138 63.027 63.200 -0.518 0.000 0.766 13 S HN 0.523 nan 8.310 nan 0.000 0.528 14 E N 0.805 120.938 120.200 -0.111 0.000 2.389 14 E HA 0.082 4.432 4.350 -0.000 0.000 0.199 14 E C 1.789 178.364 176.600 -0.041 0.000 0.978 14 E CA 0.220 56.652 56.400 0.053 0.000 0.912 14 E CB 0.043 29.794 29.700 0.085 0.000 0.907 14 E HN 0.644 nan 8.360 nan 0.000 0.494 15 E N 0.966 121.122 120.200 -0.073 0.000 2.118 15 E HA -0.164 4.186 4.350 -0.000 0.000 0.195 15 E C 2.144 178.632 176.600 -0.187 0.000 0.992 15 E CA 1.142 57.489 56.400 -0.088 0.000 0.804 15 E CB -0.046 29.719 29.700 0.110 0.000 0.741 15 E HN 0.060 nan 8.360 nan 0.000 0.458 16 V N 0.962 120.699 119.914 -0.294 0.000 2.317 16 V HA -0.286 3.834 4.120 -0.000 0.000 0.251 16 V C 1.954 177.799 176.094 -0.415 0.000 1.065 16 V CA 1.932 64.013 62.300 -0.365 0.000 1.049 16 V CB -0.720 30.729 31.823 -0.623 0.000 0.651 16 V HN 0.247 nan 8.190 nan 0.000 0.450 17 F N 0.278 120.087 119.950 -0.236 0.000 2.407 17 F HA 0.062 4.589 4.527 -0.000 0.000 0.299 17 F C 2.312 177.983 175.800 -0.215 0.000 1.097 17 F CA 0.794 58.586 58.000 -0.347 0.000 1.422 17 F CB -0.462 38.297 39.000 -0.402 0.000 1.067 17 F HN 0.116 nan 8.300 nan 0.000 0.539 18 A N -0.535 122.169 122.820 -0.194 0.000 1.975 18 A HA -0.120 4.200 4.320 -0.000 0.000 0.215 18 A C 2.006 179.351 177.584 -0.399 0.000 1.170 18 A CA 0.772 52.435 52.037 -0.623 0.000 0.656 18 A CB -0.484 17.517 19.000 -1.664 0.000 0.821 18 A HN 0.276 nan 8.150 nan 0.000 0.449 19 Q N -1.474 118.263 119.800 -0.104 0.000 2.224 19 Q HA -0.100 4.240 4.340 -0.000 0.000 0.203 19 Q C 0.403 176.341 176.000 -0.104 0.000 0.970 19 Q CA 1.587 57.413 55.803 0.040 0.000 0.865 19 Q CB -0.255 28.546 28.738 0.103 0.000 0.922 19 Q HN 0.772 nan 8.270 nan 0.000 0.445 20 Y N -0.311 119.971 120.300 -0.030 0.000 2.612 20 Y HA 0.305 4.855 4.550 -0.000 0.000 0.250 20 Y C -0.525 175.410 175.900 0.059 0.000 1.175 20 Y CA -0.437 57.679 58.100 0.027 0.000 1.205 20 Y CB 0.359 38.828 38.460 0.016 0.000 1.201 20 Y HN 0.011 nan 8.280 nan 0.000 0.532 21 E N 0.306 120.605 120.200 0.165 0.000 2.210 21 E HA -0.165 4.185 4.350 -0.000 0.000 0.201 21 E C -0.900 175.819 176.600 0.200 0.000 1.339 21 E CA 0.124 56.669 56.400 0.242 0.000 0.699 21 E CB -1.151 28.739 29.700 0.317 0.000 1.126 21 E HN 0.032 nan 8.360 nan 0.000 0.355 22 V N 2.297 122.146 119.914 -0.109 0.000 2.389 22 V HA 0.231 4.351 4.120 -0.000 0.000 0.264 22 V C 0.146 175.971 176.094 -0.448 0.000 1.049 22 V CA 0.255 62.448 62.300 -0.178 0.000 0.932 22 V CB -0.081 31.519 31.823 -0.371 0.000 1.011 22 V HN 0.185 nan 8.190 nan 0.000 0.475 23 F N 2.575 122.546 119.950 0.035 0.000 2.443 23 F HA 0.524 5.051 4.527 -0.000 0.000 0.335 23 F C 0.794 176.710 175.800 0.194 0.000 1.104 23 F CA -0.328 57.723 58.000 0.084 0.000 1.013 23 F CB 2.029 41.148 39.000 0.198 0.000 1.136 23 F HN 0.331 nan 8.300 nan 0.000 0.470 24 T N 1.801 116.479 114.554 0.207 0.000 2.771 24 T HA 0.501 4.850 4.350 -0.000 0.000 0.281 24 T C -0.441 174.285 174.700 0.044 0.000 0.982 24 T CA -0.829 61.323 62.100 0.088 0.000 0.978 24 T CB 1.112 69.923 68.868 -0.094 0.000 0.930 24 T HN 0.574 nan 8.240 nan 0.000 0.447 25 S N 3.100 118.777 115.700 -0.038 0.000 2.536 25 S HA 0.798 5.268 4.470 -0.000 0.000 0.298 25 S C -0.701 173.778 174.600 -0.201 0.000 1.083 25 S CA -1.074 56.991 58.200 -0.226 0.000 0.995 25 S CB 1.255 64.190 63.200 -0.441 0.000 1.058 25 S HN 0.617 nan 8.310 nan 0.000 0.488 26 M N 2.443 121.907 119.600 -0.228 0.000 2.067 26 M HA 0.300 4.780 4.480 -0.000 0.000 0.286 26 M C -1.006 175.172 176.300 -0.204 0.000 0.922 26 M CA -0.257 54.946 55.300 -0.163 0.000 0.937 26 M CB 2.232 34.778 32.600 -0.090 0.000 1.550 26 M HN 0.669 nan 8.290 nan 0.000 0.433 27 T N 4.315 118.763 114.554 -0.177 0.000 2.747 27 T HA 0.497 4.847 4.350 -0.000 0.000 0.301 27 T C -0.130 174.490 174.700 -0.134 0.000 0.952 27 T CA -0.298 61.716 62.100 -0.143 0.000 0.983 27 T CB -0.181 68.630 68.868 -0.095 0.000 0.930 27 T HN 0.316 nan 8.240 nan 0.000 0.494 28 I N 3.500 124.004 120.570 -0.110 0.000 2.304 28 I HA 0.222 4.392 4.170 -0.000 0.000 0.291 28 I C 0.613 176.716 176.117 -0.023 0.000 1.018 28 I CA -0.278 60.958 61.300 -0.105 0.000 1.260 28 I CB 1.151 39.128 38.000 -0.039 0.000 1.390 28 I HN 0.500 nan 8.210 nan 0.000 0.475 29 Q N 7.213 126.995 119.800 -0.029 0.000 2.361 29 Q HA 0.430 4.770 4.340 -0.000 0.000 0.250 29 Q C -1.234 174.781 176.000 0.025 0.000 1.023 29 Q CA -0.407 55.396 55.803 0.001 0.000 0.915 29 Q CB 0.581 29.321 28.738 0.003 0.000 1.238 29 Q HN 0.630 nan 8.270 nan 0.000 0.451 30 L N 3.193 124.439 121.223 0.039 0.000 2.399 30 L HA 0.593 4.933 4.340 -0.000 0.000 0.265 30 L C 0.171 177.066 176.870 0.042 0.000 1.089 30 L CA -0.725 54.152 54.840 0.060 0.000 0.802 30 L CB 1.297 43.395 42.059 0.065 0.000 1.180 30 L HN 0.536 nan 8.230 nan 0.000 0.454 31 R N 1.018 121.550 120.500 0.053 0.000 2.502 31 R HA 0.668 5.008 4.340 -0.000 0.000 0.300 31 R C -0.504 175.825 176.300 0.049 0.000 0.984 31 R CA 0.327 56.452 56.100 0.041 0.000 0.882 31 R CB 1.705 32.027 30.300 0.037 0.000 1.180 31 R HN 0.872 nan 8.270 nan 0.000 0.444 32 G N 1.621 110.444 108.800 0.040 0.000 2.265 32 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.246 32 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.246 32 G C -1.582 173.344 174.900 0.044 0.000 1.299 32 G CA -0.400 44.727 45.100 0.044 0.000 1.117 32 G HN 0.429 nan 8.290 nan 0.000 0.485 33 V N 0.759 120.706 119.914 0.055 0.000 2.406 33 V HA 0.569 4.689 4.120 -0.000 0.000 0.272 33 V C 0.054 176.200 176.094 0.087 0.000 1.043 33 V CA -0.350 61.983 62.300 0.055 0.000 0.915 33 V CB 1.083 32.935 31.823 0.048 0.000 0.988 33 V HN 0.573 nan 8.190 nan 0.000 0.466 34 I N 4.029 124.639 120.570 0.065 0.000 2.307 34 I HA 0.236 4.406 4.170 -0.000 0.000 0.289 34 I C 0.591 176.774 176.117 0.110 0.000 1.021 34 I CA 0.059 61.408 61.300 0.081 0.000 1.224 34 I CB 1.000 38.986 38.000 -0.022 0.000 1.376 34 I HN 0.545 nan 8.210 nan 0.000 0.470 35 D N 6.909 127.439 120.400 0.217 0.000 2.600 35 D HA 0.027 4.667 4.640 -0.000 0.000 0.226 35 D C 1.310 177.713 176.300 0.173 0.000 1.119 35 D CA 0.122 54.214 54.000 0.153 0.000 1.051 35 D CB 0.621 41.478 40.800 0.094 0.000 1.106 35 D HN 0.328 nan 8.370 nan 0.000 0.491 36 V N 2.764 122.728 119.914 0.083 0.000 2.428 36 V HA -0.337 3.783 4.120 -0.000 0.000 0.255 36 V C 1.726 177.854 176.094 0.056 0.000 1.080 36 V CA 2.069 64.393 62.300 0.039 0.000 1.083 36 V CB -0.448 31.377 31.823 0.003 0.000 0.665 36 V HN 0.404 nan 8.190 nan 0.000 0.461 37 D N 0.370 120.805 120.400 0.058 0.000 2.117 37 D HA -0.098 4.542 4.640 -0.000 0.000 0.197 37 D C 2.183 178.524 176.300 0.069 0.000 0.987 37 D CA 1.583 55.612 54.000 0.048 0.000 0.829 37 D CB -0.353 40.466 40.800 0.031 0.000 0.961 37 D HN 0.492 nan 8.370 nan 0.000 0.460 38 A N 0.232 123.110 122.820 0.097 0.000 1.929 38 A HA -0.029 4.291 4.320 -0.000 0.000 0.216 38 A C 2.117 179.840 177.584 0.231 0.000 1.176 38 A CA 0.530 52.628 52.037 0.101 0.000 0.628 38 A CB -0.706 18.274 19.000 -0.034 0.000 0.816 38 A HN 0.241 nan 8.150 nan 0.000 0.444 39 L N -0.359 121.042 121.223 0.297 0.000 2.083 39 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 39 L C 2.859 179.795 176.870 0.111 0.000 1.083 39 L CA 1.748 56.681 54.840 0.155 0.000 0.752 39 L CB -0.214 41.794 42.059 -0.086 0.000 0.899 39 L HN 0.540 nan 8.230 nan 0.000 0.433 40 S N -0.252 115.505 115.700 0.095 0.000 2.348 40 S HA -0.210 4.260 4.470 -0.000 0.000 0.221 40 S C 1.554 176.236 174.600 0.137 0.000 1.033 40 S CA 1.651 59.914 58.200 0.106 0.000 1.010 40 S CB -0.229 63.012 63.200 0.069 0.000 0.891 40 S HN 0.499 nan 8.310 nan 0.000 0.442 41 D N 1.631 122.094 120.400 0.105 0.000 2.178 41 D HA -0.024 4.616 4.640 -0.000 0.000 0.201 41 D C 2.193 178.552 176.300 0.098 0.000 0.980 41 D CA 1.135 55.185 54.000 0.083 0.000 0.842 41 D CB -0.535 40.298 40.800 0.054 0.000 0.948 41 D HN 0.530 nan 8.370 nan 0.000 0.472 42 A N 1.195 124.097 122.820 0.137 0.000 1.845 42 A HA -0.187 4.133 4.320 -0.000 0.000 0.215 42 A C 2.083 179.766 177.584 0.165 0.000 1.195 42 A CA 0.996 53.123 52.037 0.149 0.000 0.616 42 A CB -1.150 17.969 19.000 0.198 0.000 0.832 42 A HN 0.173 nan 8.150 nan 0.000 0.443 43 F N 1.459 121.425 119.950 0.027 0.000 2.161 43 F HA -0.199 4.328 4.527 -0.000 0.000 0.300 43 F C 1.838 177.658 175.800 0.033 0.000 1.089 43 F CA 2.014 60.030 58.000 0.027 0.000 1.282 43 F CB -0.167 38.841 39.000 0.012 0.000 1.010 43 F HN 0.304 nan 8.300 nan 0.000 0.485 44 D N 0.136 120.588 120.400 0.086 0.000 2.117 44 D HA -0.134 4.506 4.640 -0.000 0.000 0.198 44 D C 2.432 178.695 176.300 -0.061 0.000 0.982 44 D CA 1.343 55.336 54.000 -0.011 0.000 0.828 44 D CB -0.745 40.081 40.800 0.044 0.000 0.967 44 D HN 0.363 nan 8.370 nan 0.000 0.464 45 A N 1.399 124.206 122.820 -0.021 0.000 1.883 45 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 45 A C 2.313 179.847 177.584 -0.083 0.000 1.186 45 A CA 1.080 53.096 52.037 -0.036 0.000 0.624 45 A CB -0.956 18.044 19.000 0.001 0.000 0.822 45 A HN 0.243 nan 8.150 nan 0.000 0.444 46 L N -0.744 120.432 121.223 -0.080 0.000 1.970 46 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 46 L C 2.560 179.341 176.870 -0.148 0.000 1.071 46 L CA 1.672 56.466 54.840 -0.077 0.000 0.751 46 L CB -0.295 41.746 42.059 -0.030 0.000 0.889 46 L HN 0.437 nan 8.230 nan 0.000 0.432 47 L N -0.406 120.663 121.223 -0.256 0.000 2.043 47 L HA -0.266 4.074 4.340 -0.000 0.000 0.212 47 L C 2.713 179.500 176.870 -0.139 0.000 1.075 47 L CA 1.340 56.044 54.840 -0.227 0.000 0.752 47 L CB -0.591 41.277 42.059 -0.318 0.000 0.891 47 L HN 0.339 nan 8.230 nan 0.000 0.432 48 E N -0.496 119.624 120.200 -0.133 0.000 2.077 48 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 48 E C 2.134 178.648 176.600 -0.143 0.000 0.989 48 E CA 1.910 58.247 56.400 -0.105 0.000 0.800 48 E CB -0.121 29.530 29.700 -0.082 0.000 0.746 48 E HN 0.520 nan 8.360 nan 0.000 0.452 49 T N 0.166 114.575 114.554 -0.240 0.000 2.857 49 T HA -0.083 4.267 4.350 -0.000 0.000 0.266 49 T C 0.769 175.153 174.700 -0.526 0.000 1.048 49 T CA 0.905 62.755 62.100 -0.417 0.000 1.139 49 T CB -0.065 68.443 68.868 -0.601 0.000 0.874 49 T HN 0.164 nan 8.240 nan 0.000 0.455 50 H N 0.782 119.833 119.070 -0.032 0.000 2.351 50 H HA 0.236 4.792 4.556 -0.000 0.000 0.232 50 H C -1.846 173.465 175.328 -0.029 0.000 1.452 50 H CA -2.429 53.610 56.048 -0.014 0.000 1.236 50 H CB 0.412 30.178 29.762 0.007 0.000 1.579 50 H HN 0.270 nan 8.280 nan 0.000 0.535 51 P HA -0.143 nan 4.420 nan 0.000 0.224 51 P C 1.458 178.774 177.300 0.026 0.000 1.142 51 P CA 0.532 63.637 63.100 0.008 0.000 0.778 51 P CB 0.235 31.931 31.700 -0.007 0.000 0.764 52 V N 0.118 120.062 119.914 0.051 0.000 2.427 52 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 52 V C 2.735 178.845 176.094 0.026 0.000 1.051 52 V CA 1.373 63.696 62.300 0.037 0.000 1.048 52 V CB -1.368 30.482 31.823 0.046 0.000 0.666 52 V HN 0.055 nan 8.190 nan 0.000 0.456 53 L N 0.576 121.820 121.223 0.036 0.000 2.187 53 L HA -0.042 4.298 4.340 -0.000 0.000 0.213 53 L C 1.704 178.589 176.870 0.024 0.000 1.100 53 L CA 1.034 55.887 54.840 0.023 0.000 0.765 53 L CB -0.589 41.482 42.059 0.020 0.000 0.904 53 L HN 0.360 nan 8.230 nan 0.000 0.437 54 A N 0.502 123.334 122.820 0.021 0.000 2.915 54 A HA 0.445 4.765 4.320 -0.000 0.000 0.292 54 A C 0.369 177.988 177.584 0.058 0.000 1.632 54 A CA 0.332 52.389 52.037 0.033 0.000 1.337 54 A CB -0.388 18.624 19.000 0.020 0.000 1.111 54 A HN 0.403 nan 8.150 nan 0.000 0.569 55 S N 0.859 116.610 115.700 0.085 0.000 2.671 55 S HA 0.752 5.222 4.470 -0.000 0.000 0.270 55 S C -0.830 173.894 174.600 0.206 0.000 1.166 55 S CA -0.418 57.867 58.200 0.143 0.000 0.868 55 S CB 1.089 64.317 63.200 0.048 0.000 1.190 55 S HN 1.415 nan 8.310 nan 0.000 0.494 56 H N -0.685 118.389 119.070 0.006 0.000 2.918 56 H HA 0.717 5.272 4.556 -0.000 0.000 0.303 56 H C -1.914 173.417 175.328 0.006 0.000 1.380 56 H CA -1.121 54.930 56.048 0.005 0.000 1.134 56 H CB 0.454 30.244 29.762 0.045 0.000 1.842 56 H HN 0.698 nan 8.280 nan 0.000 0.533 57 L N 0.747 121.924 121.223 -0.077 0.000 2.334 57 L HA 0.522 4.862 4.340 -0.000 0.000 0.276 57 L C -0.054 176.909 176.870 0.155 0.000 1.014 57 L CA -0.513 54.315 54.840 -0.019 0.000 0.815 57 L CB 1.936 43.979 42.059 -0.027 0.000 1.268 57 L HN 0.557 nan 8.230 nan 0.000 0.428 58 E N 1.613 121.909 120.200 0.160 0.000 2.266 58 E HA 0.292 4.642 4.350 -0.000 0.000 0.268 58 E C -1.338 175.292 176.600 0.049 0.000 0.879 58 E CA -0.827 55.652 56.400 0.132 0.000 0.762 58 E CB 2.225 31.945 29.700 0.033 0.000 1.199 58 E HN 0.488 nan 8.360 nan 0.000 0.422 59 Q N 1.420 121.119 119.800 -0.167 0.000 2.281 59 Q HA 0.136 4.476 4.340 -0.000 0.000 0.267 59 Q C -0.144 175.686 176.000 -0.284 0.000 1.053 59 Q CA 0.016 55.514 55.803 -0.508 0.000 0.905 59 Q CB 1.293 29.692 28.738 -0.566 0.000 1.195 59 Q HN 0.283 nan 8.270 nan 0.000 0.398 60 S N 1.115 116.652 115.700 -0.270 0.000 2.584 60 S HA 0.008 4.478 4.470 -0.000 0.000 0.270 60 S C 1.340 175.851 174.600 -0.147 0.000 1.346 60 S CA 0.004 58.115 58.200 -0.148 0.000 1.018 60 S CB 0.727 63.868 63.200 -0.099 0.000 0.899 60 S HN 0.755 nan 8.310 nan 0.000 0.542 61 S N 1.903 117.547 115.700 -0.092 0.000 2.447 61 S HA -0.095 4.375 4.470 -0.000 0.000 0.233 61 S C 0.853 175.407 174.600 -0.077 0.000 1.006 61 S CA 1.089 59.242 58.200 -0.078 0.000 0.957 61 S CB -0.380 62.790 63.200 -0.050 0.000 0.773 61 S HN 0.810 nan 8.310 nan 0.000 0.507 62 D N 1.033 121.389 120.400 -0.073 0.000 2.323 62 D HA 0.211 4.851 4.640 -0.000 0.000 0.209 62 D C 1.637 177.888 176.300 -0.082 0.000 0.973 62 D CA 0.947 54.912 54.000 -0.058 0.000 0.874 62 D CB -0.240 40.541 40.800 -0.032 0.000 0.930 62 D HN 0.646 nan 8.370 nan 0.000 0.521 63 G N 0.345 109.061 108.800 -0.141 0.000 2.253 63 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.209 63 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.209 63 G C 0.872 175.603 174.900 -0.281 0.000 0.997 63 G CA 0.106 45.087 45.100 -0.199 0.000 0.640 63 G HN 0.632 nan 8.290 nan 0.000 0.496 64 G N -0.671 108.024 108.800 -0.174 0.000 2.467 64 G HA2 0.391 4.351 3.960 -0.000 0.000 0.243 64 G HA3 0.391 4.351 3.960 -0.000 0.000 0.243 64 G C -0.331 174.397 174.900 -0.286 0.000 1.521 64 G CA 0.229 45.277 45.100 -0.086 0.000 1.055 64 G HN 0.610 nan 8.290 nan 0.000 0.553 65 W N -0.745 120.558 121.300 0.004 0.000 3.211 65 W HA 0.393 5.053 4.660 0.000 0.000 0.335 65 W C -0.710 175.793 176.519 -0.028 0.000 1.113 65 W CA -0.802 56.536 57.345 -0.012 0.000 1.235 65 W CB 1.387 30.843 29.460 -0.007 0.000 1.365 65 W HN 0.212 nan 8.180 nan 0.000 0.476 66 N N 2.572 121.382 118.700 0.183 0.000 2.473 66 N HA 0.367 5.106 4.740 -0.000 0.000 0.291 66 N C -1.162 174.359 175.510 0.018 0.000 1.083 66 N CA -0.662 52.430 53.050 0.069 0.000 0.951 66 N CB 1.952 40.445 38.487 0.010 0.000 1.164 66 N HN 0.440 nan 8.380 nan 0.000 0.480 67 L N 3.501 124.715 121.223 -0.016 0.000 2.328 67 L HA 0.266 4.606 4.340 -0.000 0.000 0.280 67 L C -0.869 175.937 176.870 -0.106 0.000 1.111 67 L CA -0.451 54.349 54.840 -0.067 0.000 0.909 67 L CB 0.251 42.288 42.059 -0.036 0.000 1.277 67 L HN 0.186 nan 8.230 nan 0.000 0.433 68 V N 5.228 125.000 119.914 -0.238 0.000 2.461 68 V HA 0.525 4.645 4.120 -0.000 0.000 0.275 68 V C 0.996 177.027 176.094 -0.105 0.000 1.047 68 V CA -0.365 61.794 62.300 -0.236 0.000 0.955 68 V CB 0.740 32.290 31.823 -0.455 0.000 0.988 68 V HN 0.884 nan 8.190 nan 0.000 0.471 69 A N 4.363 127.183 122.820 -0.000 0.000 2.425 69 A HA 0.487 4.807 4.320 -0.000 0.000 0.242 69 A C -0.198 177.449 177.584 0.104 0.000 1.077 69 A CA -0.061 52.003 52.037 0.045 0.000 0.781 69 A CB 0.160 19.173 19.000 0.021 0.000 1.020 69 A HN 0.839 nan 8.150 nan 0.000 0.494 70 D N -0.521 119.927 120.400 0.080 0.000 2.645 70 D HA 0.335 4.974 4.640 -0.000 0.000 0.228 70 D C -1.010 175.286 176.300 -0.007 0.000 1.148 70 D CA -0.209 53.819 54.000 0.047 0.000 0.860 70 D CB 1.276 42.126 40.800 0.082 0.000 1.548 70 D HN 0.663 nan 8.370 nan 0.000 0.460 71 D N 1.260 121.614 120.400 -0.077 0.000 2.488 71 D HA -0.056 4.584 4.640 -0.000 0.000 0.238 71 D C 1.231 177.521 176.300 -0.017 0.000 1.138 71 D CA -0.079 53.874 54.000 -0.077 0.000 0.873 71 D CB 1.090 41.786 40.800 -0.173 0.000 1.183 71 D HN 0.391 nan 8.370 nan 0.000 0.458 72 L N 0.833 122.056 121.223 -0.001 0.000 2.549 72 L HA -0.165 4.175 4.340 -0.000 0.000 0.229 72 L C 1.907 178.805 176.870 0.047 0.000 1.158 72 L CA 0.203 55.051 54.840 0.015 0.000 0.842 72 L CB -0.505 41.552 42.059 -0.003 0.000 0.952 72 L HN 0.321 nan 8.230 nan 0.000 0.452 73 L N -1.335 119.929 121.223 0.069 0.000 2.072 73 L HA -0.098 4.242 4.340 -0.000 0.000 0.205 73 L C 1.227 178.228 176.870 0.219 0.000 1.079 73 L CA 1.166 56.084 54.840 0.129 0.000 0.752 73 L CB -0.850 41.294 42.059 0.141 0.000 0.906 73 L HN 0.136 nan 8.230 nan 0.000 0.436 74 H N 0.424 119.503 119.070 0.015 0.000 3.460 74 H HA 0.330 4.886 4.556 -0.000 0.000 0.238 74 H C -0.385 174.955 175.328 0.020 0.000 1.752 74 H CA -0.316 55.740 56.048 0.014 0.000 1.503 74 H CB -0.613 29.148 29.762 -0.001 0.000 1.830 74 H HN 0.037 nan 8.280 nan 0.000 0.614 75 S N 0.575 116.350 115.700 0.125 0.000 2.666 75 S HA 0.318 4.788 4.470 -0.000 0.000 0.165 75 S C 0.425 175.154 174.600 0.216 0.000 0.865 75 S CA -0.526 57.761 58.200 0.145 0.000 1.038 75 S CB 0.595 63.873 63.200 0.130 0.000 1.507 75 S HN 0.712 nan 8.310 nan 0.000 0.422 76 G N 1.058 109.942 108.800 0.141 0.000 2.537 76 G HA2 0.810 4.770 3.960 -0.000 0.000 0.323 76 G HA3 0.810 4.770 3.960 -0.000 0.000 0.323 76 G C -0.546 174.367 174.900 0.022 0.000 1.207 76 G CA -0.834 44.331 45.100 0.109 0.000 0.976 76 G HN 0.533 nan 8.290 nan 0.000 0.487 77 I N -0.099 120.431 120.570 -0.068 0.000 2.396 77 I HA 0.206 4.376 4.170 -0.000 0.000 0.292 77 I C 0.084 176.132 176.117 -0.115 0.000 0.999 77 I CA -0.393 60.781 61.300 -0.210 0.000 1.310 77 I CB 1.568 39.414 38.000 -0.256 0.000 1.404 77 I HN 0.316 nan 8.210 nan 0.000 0.496 78 C N 7.828 127.061 119.300 -0.113 0.000 2.265 78 C HA 0.550 5.010 4.460 -0.000 0.000 0.332 78 C C 0.105 175.044 174.990 -0.085 0.000 1.248 78 C CA -0.330 58.639 59.018 -0.080 0.000 1.727 78 C CB -0.400 27.294 27.740 -0.077 0.000 2.348 78 C HN 0.527 nan 8.230 nan 0.000 0.519 79 V N 8.263 128.135 119.914 -0.070 0.000 2.472 79 V HA 0.570 4.690 4.120 -0.000 0.000 0.290 79 V C 0.117 176.180 176.094 -0.052 0.000 1.037 79 V CA -0.217 62.045 62.300 -0.062 0.000 0.908 79 V CB 1.466 33.257 31.823 -0.053 0.000 0.985 79 V HN 0.772 nan 8.190 nan 0.000 0.454 80 I N 3.203 123.745 120.570 -0.047 0.000 2.730 80 I HA 0.482 4.652 4.170 -0.000 0.000 0.298 80 I C -0.566 175.533 176.117 -0.031 0.000 1.089 80 I CA -0.478 60.799 61.300 -0.039 0.000 1.041 80 I CB 2.418 40.394 38.000 -0.040 0.000 1.235 80 I HN 0.562 nan 8.210 nan 0.000 0.423 95 E N 0.807 120.952 120.200 -0.091 0.000 3.786 95 E HA 0.448 4.798 4.350 -0.000 0.000 0.215 95 E C -0.877 175.624 176.600 -0.165 0.000 1.188 95 E CA -0.358 55.976 56.400 -0.110 0.000 1.248 95 E CB 0.267 29.912 29.700 -0.091 0.000 1.260 95 E HN 0.460 nan 8.360 nan 0.000 0.426 96 L N 1.494 122.580 121.223 -0.227 0.000 2.399 96 L HA 0.471 4.811 4.340 -0.000 0.000 0.265 96 L C -0.429 176.244 176.870 -0.328 0.000 1.089 96 L CA -0.186 54.435 54.840 -0.366 0.000 0.802 96 L CB 1.112 42.817 42.059 -0.589 0.000 1.180 96 L HN 0.272 nan 8.230 nan 0.000 0.454 97 R N 3.879 124.153 120.500 -0.375 0.000 2.607 97 R HA 0.428 4.768 4.340 -0.000 0.000 0.278 97 R C -1.654 174.450 176.300 -0.327 0.000 1.637 97 R CA -0.480 55.458 56.100 -0.270 0.000 1.325 97 R CB 0.271 30.473 30.300 -0.163 0.000 1.211 97 R HN 0.696 nan 8.270 nan 0.000 0.565 98 L N 3.094 124.054 121.223 -0.439 0.000 2.453 98 L HA 0.220 4.560 4.340 -0.000 0.000 0.272 98 L C 0.039 176.759 176.870 -0.250 0.000 1.182 98 L CA 0.465 54.942 54.840 -0.606 0.000 0.858 98 L CB 0.565 42.002 42.059 -1.036 0.000 1.120 98 L HN 0.606 nan 8.230 nan 0.000 0.474 99 D N 2.648 123.013 120.400 -0.058 0.000 2.333 99 D HA 0.012 4.652 4.640 -0.000 0.000 0.225 99 D C 0.589 177.118 176.300 0.382 0.000 1.345 99 D CA -0.410 53.709 54.000 0.199 0.000 0.971 99 D CB 1.122 41.990 40.800 0.113 0.000 1.451 99 D HN 0.697 nan 8.370 nan 0.000 0.561 100 Q N 1.240 121.346 119.800 0.509 0.000 2.458 100 Q HA -0.162 4.178 4.340 -0.000 0.000 0.215 100 Q C 0.882 176.979 176.000 0.161 0.000 0.989 100 Q CA 1.652 57.585 55.803 0.217 0.000 0.895 100 Q CB -0.252 28.407 28.738 -0.131 0.000 0.934 100 Q HN 0.270 nan 8.270 nan 0.000 0.475 101 S N -1.528 114.315 115.700 0.238 0.000 2.577 101 S HA 0.235 4.705 4.470 -0.000 0.000 0.219 101 S C 1.145 175.900 174.600 0.257 0.000 0.962 101 S CA -0.105 58.272 58.200 0.295 0.000 0.921 101 S CB 0.779 64.137 63.200 0.263 0.000 0.789 101 S HN 0.210 nan 8.310 nan 0.000 0.497 102 V N -0.194 119.834 119.914 0.189 0.000 3.444 102 V HA 0.439 4.559 4.120 -0.000 0.000 0.210 102 V C 0.652 176.809 176.094 0.104 0.000 1.217 102 V CA 0.403 62.737 62.300 0.057 0.000 1.302 102 V CB 0.477 32.348 31.823 0.079 0.000 1.341 102 V HN 0.446 nan 8.190 nan 0.000 0.522 103 S N -0.931 114.870 115.700 0.168 0.000 2.526 103 S HA 0.615 5.085 4.470 -0.000 0.000 0.293 103 S C -0.144 174.610 174.600 0.257 0.000 1.092 103 S CA -0.527 57.748 58.200 0.124 0.000 0.980 103 S CB 1.669 64.819 63.200 -0.083 0.000 1.048 103 S HN 0.292 nan 8.310 nan 0.000 0.483 104 L N 3.157 124.492 121.223 0.187 0.000 2.616 104 L HA 0.436 4.776 4.340 -0.000 0.000 0.229 104 L C -0.213 176.836 176.870 0.298 0.000 1.110 104 L CA 0.162 55.135 54.840 0.221 0.000 0.884 104 L CB 0.330 42.405 42.059 0.027 0.000 1.115 104 L HN 0.420 nan 8.230 nan 0.000 0.481 105 L N -0.939 120.399 121.223 0.191 0.000 2.333 105 L HA 0.634 4.974 4.340 -0.000 0.000 0.263 105 L C -1.296 175.623 176.870 0.081 0.000 1.014 105 L CA -0.261 54.700 54.840 0.202 0.000 0.820 105 L CB 1.771 43.921 42.059 0.152 0.000 1.352 105 L HN -0.100 nan 8.230 nan 0.000 0.421 106 H N 3.830 123.088 119.070 0.314 0.000 3.184 106 H HA 0.379 4.935 4.556 -0.000 0.000 0.317 106 H C -1.834 173.612 175.328 0.197 0.000 1.065 106 H CA -0.602 55.565 56.048 0.198 0.000 1.462 106 H CB 1.891 31.657 29.762 0.008 0.000 2.037 106 H HN 0.543 nan 8.280 nan 0.000 0.431 107 L N 3.445 124.702 121.223 0.056 0.000 2.280 107 L HA 0.368 4.708 4.340 -0.000 0.000 0.287 107 L C -0.187 176.610 176.870 -0.122 0.000 1.023 107 L CA -0.000 54.726 54.840 -0.189 0.000 0.819 107 L CB 1.377 42.867 42.059 -0.949 0.000 1.212 107 L HN 0.593 nan 8.230 nan 0.000 0.420 108 Q N 4.333 124.140 119.800 0.011 0.000 2.341 108 Q HA 0.439 4.779 4.340 -0.000 0.000 0.268 108 Q C -1.726 174.248 176.000 -0.043 0.000 1.013 108 Q CA -0.831 54.972 55.803 -0.001 0.000 0.798 108 Q CB 1.860 30.663 28.738 0.109 0.000 1.253 108 Q HN 0.661 nan 8.270 nan 0.000 0.457 109 L N 5.414 126.587 121.223 -0.084 0.000 2.287 109 L HA 0.483 4.823 4.340 -0.000 0.000 0.287 109 L C -1.462 175.372 176.870 -0.060 0.000 1.022 109 L CA -0.309 54.479 54.840 -0.088 0.000 0.814 109 L CB 1.229 43.215 42.059 -0.122 0.000 1.217 109 L HN 0.581 nan 8.230 nan 0.000 0.420 110 I N 6.217 126.760 120.570 -0.044 0.000 2.359 110 I HA 0.290 4.460 4.170 -0.000 0.000 0.284 110 I C -0.439 175.661 176.117 -0.030 0.000 1.018 110 I CA -0.174 61.107 61.300 -0.031 0.000 1.173 110 I CB 1.173 39.162 38.000 -0.017 0.000 1.326 110 I HN 0.431 nan 8.210 nan 0.000 0.462 111 L N 6.988 128.193 121.223 -0.029 0.000 2.433 111 L HA 0.259 4.599 4.340 -0.000 0.000 0.275 111 L C 0.976 177.837 176.870 -0.015 0.000 1.128 111 L CA -0.087 54.739 54.840 -0.023 0.000 0.875 111 L CB -0.240 41.806 42.059 -0.022 0.000 1.171 111 L HN 0.557 nan 8.230 nan 0.000 0.463 112 R N 1.876 122.369 120.500 -0.011 0.000 2.641 112 R HA 0.276 4.616 4.340 -0.000 0.000 0.197 112 R C 0.888 177.186 176.300 -0.004 0.000 1.408 112 R CA -0.630 55.466 56.100 -0.006 0.000 1.040 112 R CB -0.150 30.147 30.300 -0.004 0.000 2.279 112 R HN 0.452 nan 8.270 nan 0.000 0.520 113 E N 0.209 120.408 120.200 -0.001 0.000 2.044 113 E HA 0.045 4.395 4.350 -0.000 0.000 0.209 113 E C 1.224 177.826 176.600 0.003 0.000 0.917 113 E CA 1.407 57.807 56.400 0.001 0.000 0.963 113 E CB -0.994 28.707 29.700 0.001 0.000 0.919 113 E HN 0.623 nan 8.360 nan 0.000 0.528 114 G N -0.740 108.063 108.800 0.005 0.000 3.379 114 G HA2 0.476 4.436 3.960 -0.000 0.000 0.253 114 G HA3 0.476 4.436 3.960 -0.000 0.000 0.253 114 G C 0.242 175.150 174.900 0.013 0.000 1.262 114 G CA 0.402 45.508 45.100 0.009 0.000 0.959 114 G HN 0.496 nan 8.290 nan 0.000 0.524 115 G N -1.557 107.249 108.800 0.009 0.000 2.435 115 G HA2 0.750 4.710 3.960 -0.000 0.000 0.296 115 G HA3 0.750 4.710 3.960 -0.000 0.000 0.296 115 G C -1.465 173.434 174.900 -0.001 0.000 1.240 115 G CA 0.214 45.320 45.100 0.010 0.000 0.872 115 G HN 1.002 nan 8.290 nan 0.000 0.480 116 A N -1.140 121.676 122.820 -0.006 0.000 2.588 116 A HA 0.828 5.148 4.320 -0.000 0.000 0.290 116 A C -1.476 176.098 177.584 -0.018 0.000 1.136 116 A CA -0.465 51.561 52.037 -0.019 0.000 0.681 116 A CB 1.388 20.364 19.000 -0.039 0.000 1.282 116 A HN 0.523 nan 8.150 nan 0.000 0.421 117 E N 0.719 120.904 120.200 -0.025 0.000 2.683 117 E HA 0.307 4.657 4.350 -0.000 0.000 0.224 117 E C -1.274 175.303 176.600 -0.038 0.000 1.046 117 E CA -0.588 55.799 56.400 -0.023 0.000 0.811 117 E CB 1.369 31.060 29.700 -0.015 0.000 1.296 117 E HN 0.454 nan 8.360 nan 0.000 0.421 118 L N 2.182 123.377 121.223 -0.046 0.000 2.410 118 L HA 0.201 4.541 4.340 -0.000 0.000 0.273 118 L C -0.507 176.327 176.870 -0.061 0.000 1.144 118 L CA 0.880 55.676 54.840 -0.073 0.000 0.863 118 L CB 0.855 42.848 42.059 -0.110 0.000 1.140 118 L HN 0.188 nan 8.230 nan 0.000 0.463 119 T N 6.208 120.713 114.554 -0.081 0.000 2.881 119 T HA 0.502 4.852 4.350 -0.000 0.000 0.290 119 T C -1.159 173.432 174.700 -0.181 0.000 1.000 119 T CA -0.383 61.618 62.100 -0.165 0.000 0.978 119 T CB 1.339 70.072 68.868 -0.225 0.000 0.997 119 T HN 0.513 nan 8.240 nan 0.000 0.443 120 L N 4.054 125.145 121.223 -0.220 0.000 2.307 120 L HA 0.643 4.983 4.340 -0.000 0.000 0.284 120 L C -1.736 175.001 176.870 -0.221 0.000 1.023 120 L CA -0.614 54.179 54.840 -0.078 0.000 0.810 120 L CB 0.583 42.669 42.059 0.045 0.000 1.231 120 L HN 0.599 nan 8.230 nan 0.000 0.423 121 Y N 5.825 126.184 120.300 0.099 0.000 2.328 121 Y HA 0.672 5.221 4.550 -0.000 0.000 0.336 121 Y C -0.652 175.392 175.900 0.239 0.000 0.960 121 Y CA -0.671 57.510 58.100 0.134 0.000 1.134 121 Y CB 1.784 40.294 38.460 0.082 0.000 1.166 121 Y HN 0.490 nan 8.280 nan 0.000 0.464 122 L N 3.611 125.030 121.223 0.327 0.000 2.438 122 L HA 0.427 4.767 4.340 -0.000 0.000 0.270 122 L C -0.959 175.966 176.870 0.093 0.000 0.972 122 L CA -0.890 54.076 54.840 0.209 0.000 0.831 122 L CB 1.177 43.276 42.059 0.067 0.000 1.273 122 L HN 0.681 nan 8.230 nan 0.000 0.405 123 H N 2.704 121.691 119.070 -0.139 0.000 2.886 123 H HA 0.112 4.668 4.556 -0.000 0.000 0.329 123 H C 0.947 176.073 175.328 -0.336 0.000 1.044 123 H CA 0.780 56.527 56.048 -0.502 0.000 1.456 123 H CB 0.672 30.069 29.762 -0.608 0.000 1.464 123 H HN 0.610 nan 8.280 nan 0.000 0.573 124 H N 3.867 122.465 119.070 -0.786 0.000 2.489 124 H HA -0.145 4.411 4.556 -0.000 0.000 0.293 124 H C 2.121 176.876 175.328 -0.955 0.000 1.066 124 H CA 1.388 56.906 56.048 -0.882 0.000 1.305 124 H CB -0.399 28.626 29.762 -1.228 0.000 1.386 124 H HN 0.769 nan 8.280 nan 0.000 0.551 125 C N -0.697 118.460 119.300 -0.240 0.000 2.449 125 C HA 0.022 4.482 4.460 -0.000 0.000 0.283 125 C C 2.374 177.334 174.990 -0.050 0.000 1.453 125 C CA 0.027 59.071 59.018 0.043 0.000 1.779 125 C CB -0.841 27.031 27.740 0.220 0.000 1.779 125 C HN 0.324 nan 8.230 nan 0.000 0.546 126 M N 1.169 120.694 119.600 -0.126 0.000 2.557 126 M HA 0.357 4.837 4.480 -0.000 0.000 0.262 126 M C 1.018 177.099 176.300 -0.365 0.000 1.168 126 M CA 1.244 56.430 55.300 -0.191 0.000 1.194 126 M CB -0.703 31.800 32.600 -0.162 0.000 1.311 126 M HN 0.528 nan 8.290 nan 0.000 0.489 127 A N 1.018 123.611 122.820 -0.380 0.000 2.520 127 A HA 0.539 4.859 4.320 -0.000 0.000 0.298 127 A C -1.378 176.068 177.584 -0.229 0.000 1.051 127 A CA -0.912 50.849 52.037 -0.461 0.000 0.690 127 A CB 1.035 19.640 19.000 -0.658 0.000 1.281 127 A HN 0.374 nan 8.150 nan 0.000 0.402 128 D N 0.455 120.836 120.400 -0.032 0.000 2.388 128 D HA 0.470 5.110 4.640 -0.000 0.000 0.254 128 D C 1.364 177.686 176.300 0.036 0.000 1.111 128 D CA 0.136 54.184 54.000 0.080 0.000 0.993 128 D CB 0.555 41.499 40.800 0.240 0.000 1.118 128 D HN 0.555 nan 8.370 nan 0.000 0.502 129 G N -0.581 108.257 108.800 0.063 0.000 2.596 129 G HA2 -0.430 3.530 3.960 -0.000 0.000 0.223 129 G HA3 -0.430 3.530 3.960 -0.000 0.000 0.223 129 G C 1.364 176.312 174.900 0.080 0.000 1.120 129 G CA 1.820 46.954 45.100 0.056 0.000 0.752 129 G HN 0.736 nan 8.290 nan 0.000 0.596 130 H N -0.263 118.810 119.070 0.005 0.000 2.284 130 H HA -0.063 4.493 4.556 -0.000 0.000 0.304 130 H C 2.334 177.678 175.328 0.026 0.000 1.069 130 H CA 1.754 57.797 56.048 -0.010 0.000 1.327 130 H CB -0.756 28.994 29.762 -0.020 0.000 1.387 130 H HN 0.359 nan 8.280 nan 0.000 0.498 131 H N -0.019 118.987 119.070 -0.106 0.000 2.353 131 H HA -0.110 4.446 4.556 -0.000 0.000 0.298 131 H C 2.209 177.459 175.328 -0.130 0.000 1.103 131 H CA 1.853 57.790 56.048 -0.184 0.000 1.293 131 H CB -0.753 28.933 29.762 -0.126 0.000 1.372 131 H HN 0.559 nan 8.280 nan 0.000 0.501 132 G N -0.288 108.591 108.800 0.132 0.000 2.402 132 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.216 132 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.216 132 G C 2.003 176.988 174.900 0.142 0.000 1.162 132 G CA 1.143 46.298 45.100 0.092 0.000 0.777 132 G HN 0.587 nan 8.290 nan 0.000 0.539 133 A N 0.112 122.991 122.820 0.098 0.000 1.972 133 A HA 0.118 4.438 4.320 -0.000 0.000 0.219 133 A C 2.553 180.251 177.584 0.190 0.000 1.169 133 A CA 1.682 53.799 52.037 0.134 0.000 0.635 133 A CB -0.448 18.363 19.000 -0.315 0.000 0.810 133 A HN 0.244 nan 8.150 nan 0.000 0.446 134 V N 0.029 119.979 119.914 0.060 0.000 2.453 134 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 134 V C 2.516 178.662 176.094 0.086 0.000 1.048 134 V CA 1.587 63.907 62.300 0.032 0.000 1.049 134 V CB -0.670 31.073 31.823 -0.133 0.000 0.672 134 V HN 0.564 nan 8.190 nan 0.000 0.457 135 L N -0.358 120.914 121.223 0.081 0.000 1.989 135 L HA -0.199 4.141 4.340 -0.000 0.000 0.211 135 L C 2.528 179.510 176.870 0.188 0.000 1.071 135 L CA 1.546 56.450 54.840 0.106 0.000 0.749 135 L CB -0.619 41.493 42.059 0.089 0.000 0.890 135 L HN 0.216 nan 8.230 nan 0.000 0.431 136 V N -0.083 119.967 119.914 0.226 0.000 2.332 136 V HA -0.357 3.763 4.120 -0.000 0.000 0.248 136 V C 2.376 178.658 176.094 0.313 0.000 1.055 136 V CA 2.190 64.647 62.300 0.262 0.000 1.038 136 V CB -0.615 31.313 31.823 0.175 0.000 0.651 136 V HN 0.600 nan 8.190 nan 0.000 0.450 137 D N -0.178 120.379 120.400 0.261 0.000 2.104 137 D HA -0.267 4.373 4.640 -0.000 0.000 0.194 137 D C 2.174 178.624 176.300 0.251 0.000 0.994 137 D CA 1.892 56.032 54.000 0.233 0.000 0.830 137 D CB 0.079 41.000 40.800 0.202 0.000 0.959 137 D HN 0.635 nan 8.370 nan 0.000 0.452 138 E N -0.242 120.086 120.200 0.214 0.000 2.058 138 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 138 E C 2.440 179.169 176.600 0.215 0.000 0.997 138 E CA 0.667 57.183 56.400 0.193 0.000 0.801 138 E CB -0.176 29.637 29.700 0.190 0.000 0.746 138 E HN 0.206 nan 8.360 nan 0.000 0.450 139 L N 0.354 121.725 121.223 0.247 0.000 1.944 139 L HA -0.209 4.130 4.340 -0.000 0.000 0.218 139 L C 2.134 179.131 176.870 0.211 0.000 1.075 139 L CA 1.954 56.923 54.840 0.215 0.000 0.767 139 L CB -0.880 41.311 42.059 0.221 0.000 0.890 139 L HN 0.172 nan 8.230 nan 0.000 0.434 140 F N -0.675 119.354 119.950 0.132 0.000 2.307 140 F HA -0.194 4.333 4.527 -0.000 0.000 0.301 140 F C 2.867 178.780 175.800 0.188 0.000 1.076 140 F CA 1.478 59.577 58.000 0.165 0.000 1.383 140 F CB -0.856 38.204 39.000 0.101 0.000 1.055 140 F HN 0.269 nan 8.300 nan 0.000 0.526 141 S N -0.144 115.738 115.700 0.304 0.000 2.406 141 S HA -0.054 4.415 4.470 -0.000 0.000 0.224 141 S C 2.238 176.927 174.600 0.148 0.000 1.030 141 S CA 0.611 58.933 58.200 0.203 0.000 0.958 141 S CB 0.010 63.307 63.200 0.162 0.000 0.811 141 S HN 0.311 nan 8.310 nan 0.000 0.489 142 R N -0.626 119.962 120.500 0.148 0.000 2.075 142 R HA -0.020 4.320 4.340 -0.000 0.000 0.226 142 R C 2.252 178.614 176.300 0.103 0.000 1.114 142 R CA 1.417 57.579 56.100 0.103 0.000 0.972 142 R CB -0.854 29.505 30.300 0.097 0.000 0.869 142 R HN 0.558 nan 8.270 nan 0.000 0.437 143 Y N 2.597 122.903 120.300 0.010 0.000 2.081 143 Y HA -0.259 4.291 4.550 -0.000 0.000 0.280 143 Y C 2.255 178.154 175.900 -0.002 0.000 1.163 143 Y CA 2.019 60.101 58.100 -0.031 0.000 1.135 143 Y CB -0.649 37.728 38.460 -0.139 0.000 0.970 143 Y HN -0.096 nan 8.280 nan 0.000 0.498 144 T N 0.456 114.983 114.554 -0.045 0.000 2.720 144 T HA -0.196 4.153 4.350 -0.000 0.000 0.268 144 T C 1.396 176.015 174.700 -0.135 0.000 1.037 144 T CA 1.691 63.718 62.100 -0.123 0.000 1.144 144 T CB -0.412 68.504 68.868 0.081 0.000 0.864 144 T HN 0.401 nan 8.240 nan 0.000 0.444 145 D N 1.054 121.422 120.400 -0.054 0.000 2.117 145 D HA 0.020 4.660 4.640 -0.000 0.000 0.198 145 D C 2.359 178.613 176.300 -0.077 0.000 0.982 145 D CA 1.198 55.172 54.000 -0.042 0.000 0.828 145 D CB -0.478 40.321 40.800 -0.001 0.000 0.967 145 D HN 0.396 nan 8.370 nan 0.000 0.464 146 A N 0.453 123.214 122.820 -0.098 0.000 1.933 146 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 146 A C 2.466 179.956 177.584 -0.156 0.000 1.175 146 A CA 1.137 53.115 52.037 -0.097 0.000 0.628 146 A CB -0.607 18.355 19.000 -0.063 0.000 0.814 146 A HN 0.159 nan 8.150 nan 0.000 0.444 147 V N -0.623 119.115 119.914 -0.293 0.000 2.548 147 V HA -0.137 3.983 4.120 -0.000 0.000 0.249 147 V C 2.513 178.512 176.094 -0.159 0.000 1.055 147 V CA 2.237 64.366 62.300 -0.284 0.000 1.065 147 V CB -0.778 30.754 31.823 -0.485 0.000 0.681 147 V HN 0.583 nan 8.190 nan 0.000 0.462 148 T N -0.336 114.139 114.554 -0.132 0.000 3.054 148 T HA 0.061 4.411 4.350 -0.000 0.000 0.259 148 T C 0.638 175.307 174.700 -0.052 0.000 1.092 148 T CA 1.169 63.225 62.100 -0.074 0.000 1.121 148 T CB 0.055 68.891 68.868 -0.053 0.000 0.912 148 T HN 0.614 nan 8.240 nan 0.000 0.489 149 T N -0.910 113.611 114.554 -0.055 0.000 2.894 149 T HA 0.507 4.857 4.350 -0.000 0.000 0.309 149 T C 1.007 175.685 174.700 -0.037 0.000 1.208 149 T CA -0.685 61.393 62.100 -0.036 0.000 1.016 149 T CB 1.640 70.493 68.868 -0.024 0.000 1.192 149 T HN -0.057 nan 8.240 nan 0.000 0.491 150 G N 0.199 108.984 108.800 -0.026 0.000 2.916 150 G HA2 0.151 4.111 3.960 -0.000 0.000 0.205 150 G HA3 0.151 4.111 3.960 -0.000 0.000 0.205 150 G C -0.083 174.808 174.900 -0.015 0.000 1.163 150 G CA 0.160 45.248 45.100 -0.020 0.000 0.821 150 G HN 0.710 nan 8.290 nan 0.000 0.515 151 D N -0.668 119.722 120.400 -0.017 0.000 2.549 151 D HA 0.297 4.937 4.640 -0.000 0.000 0.251 151 D C -1.633 174.661 176.300 -0.010 0.000 1.153 151 D CA -2.332 51.662 54.000 -0.010 0.000 0.861 151 D CB 2.482 43.278 40.800 -0.007 0.000 1.207 151 D HN -0.065 nan 8.370 nan 0.000 0.543 152 P HA 0.204 nan 4.420 nan 0.000 0.245 152 P C 0.284 177.593 177.300 0.015 0.000 1.212 152 P CA 0.236 63.341 63.100 0.008 0.000 0.774 152 P CB 0.382 32.096 31.700 0.024 0.000 0.999 153 G N 1.061 109.866 108.800 0.007 0.000 2.465 153 G HA2 0.007 3.967 3.960 -0.000 0.000 0.681 153 G HA3 0.007 3.967 3.960 -0.000 0.000 0.681 153 G C -3.291 171.609 174.900 0.000 0.000 1.340 153 G CA -0.967 44.138 45.100 0.008 0.000 0.884 153 G HN -0.097 nan 8.290 nan 0.000 0.650 154 P HA 0.437 nan 4.420 nan 0.000 0.268 154 P C -0.102 177.187 177.300 -0.019 0.000 1.205 154 P CA 0.000 63.095 63.100 -0.009 0.000 0.771 154 P CB 0.831 32.527 31.700 -0.006 0.000 0.858 155 I N 2.332 122.885 120.570 -0.027 0.000 2.377 155 I HA 0.251 4.421 4.170 -0.000 0.000 0.293 155 I C 0.149 176.237 176.117 -0.049 0.000 0.987 155 I CA -0.200 61.072 61.300 -0.047 0.000 1.185 155 I CB 1.651 39.620 38.000 -0.051 0.000 1.341 155 I HN 0.226 nan 8.210 nan 0.000 0.455 156 T N 6.593 121.108 114.554 -0.065 0.000 3.077 156 T HA 0.269 4.619 4.350 -0.000 0.000 0.359 156 T C -2.466 172.187 174.700 -0.079 0.000 1.108 156 T CA -1.065 61.002 62.100 -0.055 0.000 1.170 156 T CB 0.981 69.827 68.868 -0.038 0.000 1.045 156 T HN 0.381 nan 8.240 nan 0.000 0.505 157 P HA 0.020 nan 4.420 nan 0.000 0.263 157 P C -0.586 176.681 177.300 -0.054 0.000 1.175 157 P CA 0.015 63.064 63.100 -0.084 0.000 0.761 157 P CB 0.867 32.533 31.700 -0.055 0.000 0.794 158 Q N 3.843 123.615 119.800 -0.047 0.000 2.235 158 Q HA 0.425 4.765 4.340 -0.000 0.000 0.256 158 Q C -1.806 174.214 176.000 0.034 0.000 0.951 158 Q CA -1.926 53.885 55.803 0.013 0.000 0.890 158 Q CB 0.833 29.616 28.738 0.075 0.000 1.279 158 Q HN 0.448 nan 8.270 nan 0.000 0.444 159 P HA 0.004 nan 4.420 nan 0.000 0.274 159 P C -0.627 176.699 177.300 0.044 0.000 1.256 159 P CA -0.368 62.749 63.100 0.028 0.000 0.795 159 P CB 0.356 32.067 31.700 0.019 0.000 1.038 160 T N 3.598 118.173 114.554 0.034 0.000 2.738 160 T HA 0.077 4.427 4.350 -0.000 0.000 0.277 160 T C -1.765 172.960 174.700 0.042 0.000 0.981 160 T CA -0.255 61.867 62.100 0.036 0.000 1.211 160 T CB -1.062 67.819 68.868 0.021 0.000 0.932 160 T HN 0.409 nan 8.240 nan 0.000 0.522 161 P HA 0.083 nan 4.420 nan 0.000 0.266 161 P C -0.002 177.325 177.300 0.044 0.000 1.195 161 P CA -0.248 62.895 63.100 0.071 0.000 0.768 161 P CB 0.633 32.416 31.700 0.139 0.000 0.838 162 L N 1.799 123.043 121.223 0.035 0.000 2.439 162 L HA 0.124 4.464 4.340 -0.000 0.000 0.269 162 L C 1.500 178.383 176.870 0.021 0.000 1.179 162 L CA -0.270 54.582 54.840 0.021 0.000 0.828 162 L CB 0.281 42.347 42.059 0.013 0.000 1.106 162 L HN 0.506 nan 8.230 nan 0.000 0.467 163 S N 2.327 118.032 115.700 0.009 0.000 2.603 163 S HA 0.131 4.601 4.470 -0.000 0.000 0.268 163 S C 0.969 175.571 174.600 0.003 0.000 1.317 163 S CA -0.675 57.528 58.200 0.005 0.000 1.012 163 S CB 1.184 64.378 63.200 -0.010 0.000 0.926 163 S HN 0.812 nan 8.310 nan 0.000 0.539 164 M N 1.217 120.821 119.600 0.005 0.000 2.082 164 M HA -0.180 4.300 4.480 -0.000 0.000 0.258 164 M C 2.027 178.322 176.300 -0.008 0.000 1.069 164 M CA 2.145 57.449 55.300 0.007 0.000 1.102 164 M CB -0.584 32.026 32.600 0.016 0.000 1.336 164 M HN 0.903 nan 8.290 nan 0.000 0.404 165 E N 0.510 120.695 120.200 -0.027 0.000 2.204 165 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 165 E C 1.846 178.428 176.600 -0.030 0.000 0.990 165 E CA 1.442 57.821 56.400 -0.035 0.000 0.821 165 E CB -0.822 28.836 29.700 -0.069 0.000 0.750 165 E HN 0.680 nan 8.360 nan 0.000 0.477 166 A N 1.635 124.440 122.820 -0.024 0.000 1.929 166 A HA -0.029 4.291 4.320 -0.000 0.000 0.216 166 A C 2.579 180.158 177.584 -0.010 0.000 1.176 166 A CA 1.091 53.117 52.037 -0.018 0.000 0.628 166 A CB -0.524 18.469 19.000 -0.012 0.000 0.816 166 A HN 0.145 nan 8.150 nan 0.000 0.444 167 V N 0.203 120.113 119.914 -0.006 0.000 2.427 167 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 167 V C 2.521 178.613 176.094 -0.004 0.000 1.051 167 V CA 1.719 64.017 62.300 -0.003 0.000 1.048 167 V CB -0.785 31.038 31.823 -0.001 0.000 0.666 167 V HN 0.541 nan 8.190 nan 0.000 0.456 168 L N 0.194 121.414 121.223 -0.005 0.000 1.973 168 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 168 L C 2.855 179.722 176.870 -0.005 0.000 1.073 168 L CA 1.700 56.538 54.840 -0.004 0.000 0.746 168 L CB -1.009 41.048 42.059 -0.003 0.000 0.891 168 L HN 0.334 nan 8.230 nan 0.000 0.433 169 A N -0.405 122.409 122.820 -0.010 0.000 1.903 169 A HA -0.352 3.968 4.320 -0.000 0.000 0.219 169 A C 2.229 179.809 177.584 -0.007 0.000 1.191 169 A CA 2.262 54.292 52.037 -0.011 0.000 0.638 169 A CB -0.838 18.152 19.000 -0.017 0.000 0.823 169 A HN 0.534 nan 8.150 nan 0.000 0.451 170 Q N -0.925 118.872 119.800 -0.006 0.000 2.197 170 Q HA -0.178 4.162 4.340 -0.000 0.000 0.207 170 Q C 1.754 177.753 176.000 -0.002 0.000 0.984 170 Q CA 1.698 57.499 55.803 -0.004 0.000 0.869 170 Q CB -0.033 28.703 28.738 -0.003 0.000 0.906 170 Q HN 0.678 nan 8.270 nan 0.000 0.426 171 R N -2.192 118.308 120.500 -0.001 0.000 2.393 171 R HA 0.162 4.502 4.340 -0.000 0.000 0.244 171 R C 0.942 177.242 176.300 0.000 0.000 0.920 171 R CA 0.469 56.569 56.100 0.001 0.000 1.076 171 R CB 0.997 31.299 30.300 0.002 0.000 1.119 171 R HN 0.415 nan 8.270 nan 0.000 0.524 172 G N 1.562 110.361 108.800 -0.001 0.000 2.358 172 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.224 172 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.224 172 G C 0.380 175.280 174.900 -0.001 0.000 1.073 172 G CA -0.270 44.830 45.100 -0.001 0.000 0.635 172 G HN 0.206 nan 8.290 nan 0.000 0.509 173 I N 1.867 122.437 120.570 -0.000 0.000 2.989 173 I HA -0.011 4.159 4.170 -0.000 0.000 0.311 173 I C 1.727 177.844 176.117 -0.001 0.000 1.221 173 I CA 1.008 62.308 61.300 0.000 0.000 1.449 173 I CB 0.340 38.341 38.000 0.001 0.000 1.325 173 I HN 0.383 nan 8.210 nan 0.000 0.557 174 R N 3.758 124.258 120.500 0.001 0.000 2.502 174 R HA 0.387 4.727 4.340 -0.000 0.000 0.174 174 R C 0.125 176.428 176.300 0.006 0.000 1.201 174 R CA -0.339 55.761 56.100 0.001 0.000 1.151 174 R CB 0.305 30.606 30.300 0.001 0.000 1.202 174 R HN 0.431 nan 8.270 nan 0.000 0.509 182 E N 0.761 120.865 120.200 -0.161 0.000 2.031 182 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 182 E C 1.867 178.402 176.600 -0.109 0.000 0.994 182 E CA 1.461 57.796 56.400 -0.108 0.000 0.800 182 E CB -0.338 29.298 29.700 -0.106 0.000 0.752 182 E HN 0.520 nan 8.360 nan 0.000 0.447 183 R N -0.020 120.336 120.500 -0.240 0.000 2.316 183 R HA 0.036 4.376 4.340 -0.000 0.000 0.202 183 R C 1.266 177.602 176.300 0.060 0.000 1.029 183 R CA 0.652 56.656 56.100 -0.160 0.000 1.018 183 R CB -0.103 30.036 30.300 -0.269 0.000 0.888 183 R HN 0.287 nan 8.270 nan 0.000 0.471 184 F N -1.026 118.909 119.950 -0.025 0.000 2.731 184 F HA 0.055 4.582 4.527 -0.000 0.000 0.298 184 F C 1.650 177.445 175.800 -0.008 0.000 1.106 184 F CA -0.914 57.072 58.000 -0.024 0.000 1.329 184 F CB 0.153 39.131 39.000 -0.036 0.000 1.100 184 F HN -0.038 nan 8.300 nan 0.000 0.592 185 M N 0.738 120.439 119.600 0.168 0.000 2.226 185 M HA -0.276 4.204 4.480 -0.000 0.000 0.257 185 M C 2.569 178.930 176.300 0.101 0.000 1.070 185 M CA 2.247 57.611 55.300 0.107 0.000 1.087 185 M CB -1.644 30.996 32.600 0.066 0.000 1.278 185 M HN 0.170 nan 8.290 nan 0.000 0.426 186 S N -0.184 115.572 115.700 0.093 0.000 2.488 186 S HA -0.060 4.410 4.470 -0.000 0.000 0.246 186 S C 1.577 176.237 174.600 0.100 0.000 0.992 186 S CA 1.309 59.558 58.200 0.082 0.000 0.963 186 S CB -1.028 62.213 63.200 0.070 0.000 0.754 186 S HN 0.369 nan 8.310 nan 0.000 0.519 187 V N 0.301 120.289 119.914 0.123 0.000 3.647 187 V HA 0.253 4.373 4.120 -0.000 0.000 0.279 187 V C 0.879 177.032 176.094 0.098 0.000 1.314 187 V CA -0.034 62.358 62.300 0.153 0.000 1.125 187 V CB -0.874 31.014 31.823 0.109 0.000 0.907 187 V HN 0.442 nan 8.190 nan 0.000 0.434 188 M N 1.098 120.735 119.600 0.062 0.000 2.474 188 M HA 0.112 4.592 4.480 -0.000 0.000 0.352 188 M C 0.553 176.920 176.300 0.111 0.000 1.690 188 M CA 0.667 55.965 55.300 -0.004 0.000 1.112 188 M CB -1.489 31.167 32.600 0.092 0.000 2.062 188 M HN 0.515 nan 8.290 nan 0.000 0.461 189 Y N -0.209 120.125 120.300 0.057 0.000 4.324 189 Y HA -0.326 4.224 4.550 -0.000 0.000 0.224 189 Y C 1.443 177.344 175.900 0.001 0.000 1.113 189 Y CA 0.590 58.712 58.100 0.036 0.000 1.887 189 Y CB -2.162 36.309 38.460 0.019 0.000 1.602 189 Y HN 0.797 nan 8.280 nan 0.000 0.654 190 A N -1.781 121.091 122.820 0.086 0.000 2.169 190 A HA 0.263 4.583 4.320 -0.000 0.000 0.212 190 A C 0.104 177.435 177.584 -0.423 0.000 1.153 190 A CA 0.852 52.803 52.037 -0.143 0.000 0.756 190 A CB 0.058 18.957 19.000 -0.167 0.000 0.813 190 A HN 0.415 nan 8.150 nan 0.000 0.471 191 Y N -1.488 118.830 120.300 0.030 0.000 2.576 191 Y HA 0.461 5.011 4.550 -0.000 0.000 0.346 191 Y C -0.066 175.853 175.900 0.031 0.000 1.018 191 Y CA -1.042 57.071 58.100 0.022 0.000 1.050 191 Y CB 1.330 39.790 38.460 0.001 0.000 1.280 191 Y HN 0.075 nan 8.280 nan 0.000 0.474 192 E N 2.476 122.791 120.200 0.191 0.000 1.861 192 E HA 0.196 4.545 4.350 -0.000 0.000 0.263 192 E C -0.775 175.888 176.600 0.105 0.000 1.137 192 E CA -0.210 56.262 56.400 0.119 0.000 0.944 192 E CB 0.204 29.955 29.700 0.085 0.000 1.092 192 E HN 0.381 nan 8.360 nan 0.000 0.420 193 I N 5.068 125.694 120.570 0.092 0.000 2.347 193 I HA 0.176 4.346 4.170 -0.000 0.000 0.294 193 I C -1.937 174.205 176.117 0.041 0.000 1.090 193 I CA -1.995 59.337 61.300 0.052 0.000 1.314 193 I CB 0.602 38.619 38.000 0.028 0.000 1.423 193 I HN 0.274 nan 8.210 nan 0.000 0.503 194 P HA 0.160 nan 4.420 nan 0.000 0.268 194 P C -0.206 177.105 177.300 0.019 0.000 1.541 194 P CA -0.365 62.750 63.100 0.024 0.000 1.093 194 P CB 0.883 32.593 31.700 0.016 0.000 1.551 195 A N 3.318 126.153 122.820 0.024 0.000 3.065 195 A HA 0.098 4.418 4.320 -0.000 0.000 0.262 195 A C 1.339 178.934 177.584 0.019 0.000 1.901 195 A CA 0.124 52.174 52.037 0.022 0.000 1.475 195 A CB -0.985 18.032 19.000 0.028 0.000 0.984 195 A HN 0.466 nan 8.150 nan 0.000 0.618 196 T N 0.593 115.156 114.554 0.014 0.000 3.148 196 T HA -0.003 4.347 4.350 -0.000 0.000 0.253 196 T C 0.501 175.208 174.700 0.011 0.000 1.134 196 T CA 0.339 62.445 62.100 0.010 0.000 1.051 196 T CB -0.080 68.791 68.868 0.005 0.000 0.959 196 T HN 0.613 nan 8.240 nan 0.000 0.525 197 E N 3.793 124.002 120.200 0.015 0.000 2.059 197 E HA 0.079 4.429 4.350 -0.000 0.000 0.262 197 E C -0.087 176.523 176.600 0.016 0.000 1.230 197 E CA 0.182 56.593 56.400 0.018 0.000 0.951 197 E CB -0.055 29.660 29.700 0.025 0.000 1.038 197 E HN 0.382 nan 8.360 nan 0.000 0.425 198 T N 2.094 116.654 114.554 0.011 0.000 2.758 198 T HA 0.506 4.856 4.350 -0.000 0.000 0.285 198 T C -1.679 173.021 174.700 0.001 0.000 0.981 198 T CA -1.570 60.533 62.100 0.006 0.000 0.965 198 T CB 1.465 70.334 68.868 0.001 0.000 0.927 198 T HN 0.190 nan 8.240 nan 0.000 0.448 199 P HA 0.684 nan 4.420 nan 0.000 0.292 199 P C -1.528 175.739 177.300 -0.055 0.000 1.283 199 P CA -0.717 62.370 63.100 -0.021 0.000 0.835 199 P CB 1.399 33.091 31.700 -0.014 0.000 1.017 200 A N 2.247 125.018 122.820 -0.082 0.000 2.353 200 A HA 0.596 4.916 4.320 -0.000 0.000 0.299 200 A C -1.040 176.434 177.584 -0.182 0.000 1.089 200 A CA -0.584 51.394 52.037 -0.098 0.000 0.736 200 A CB 1.381 20.346 19.000 -0.057 0.000 1.195 200 A HN 0.307 nan 8.150 nan 0.000 0.447 201 V N 3.826 123.615 119.914 -0.209 0.000 2.447 201 V HA 0.283 4.403 4.120 -0.000 0.000 0.292 201 V C -0.553 175.451 176.094 -0.150 0.000 1.021 201 V CA -0.359 61.770 62.300 -0.284 0.000 0.850 201 V CB 1.149 32.707 31.823 -0.441 0.000 1.005 201 V HN 0.816 nan 8.190 nan 0.000 0.426 202 L N 2.364 123.520 121.223 -0.112 0.000 2.865 202 L HA 0.835 5.175 4.340 -0.000 0.000 0.233 202 L C 0.564 177.347 176.870 -0.145 0.000 1.320 202 L CA -0.160 54.615 54.840 -0.108 0.000 1.225 202 L CB -0.191 41.814 42.059 -0.090 0.000 1.542 202 L HN 0.489 nan 8.230 nan 0.000 0.432 203 A N -0.666 122.085 122.820 -0.115 0.000 2.304 203 A HA 0.561 4.881 4.320 -0.000 0.000 0.323 203 A C -0.058 177.478 177.584 -0.080 0.000 1.195 203 A CA -0.556 51.418 52.037 -0.104 0.000 0.826 203 A CB 0.254 19.263 19.000 0.014 0.000 1.184 203 A HN 0.448 nan 8.150 nan 0.000 0.496 204 H N 3.042 122.131 119.070 0.032 0.000 3.140 204 H HA 0.007 4.562 4.556 -0.000 0.000 0.316 204 H C -1.444 173.905 175.328 0.035 0.000 0.986 204 H CA 0.083 56.148 56.048 0.029 0.000 1.397 204 H CB -0.056 29.723 29.762 0.029 0.000 1.377 204 H HN 0.607 nan 8.280 nan 0.000 0.585 205 P HA 0.077 nan 4.420 nan 0.000 0.278 205 P C 0.897 178.256 177.300 0.097 0.000 1.268 205 P CA 0.499 63.655 63.100 0.093 0.000 0.813 205 P CB 0.623 32.365 31.700 0.070 0.000 1.180 206 G N -1.407 107.440 108.800 0.078 0.000 2.637 206 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.211 206 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.211 206 G C 0.043 174.996 174.900 0.089 0.000 1.213 206 G CA 0.073 45.218 45.100 0.075 0.000 1.207 206 G HN 0.519 nan 8.290 nan 0.000 0.559 207 L N 0.180 121.468 121.223 0.108 0.000 2.681 207 L HA 0.316 4.656 4.340 -0.000 0.000 0.163 207 L C -2.001 174.975 176.870 0.177 0.000 1.188 207 L CA 0.314 55.235 54.840 0.135 0.000 0.944 207 L CB 1.141 43.285 42.059 0.142 0.000 1.835 207 L HN 0.450 nan 8.230 nan 0.000 0.510 208 P HA 0.203 nan 4.420 nan 0.000 0.295 208 P C -1.606 175.869 177.300 0.292 0.000 1.404 208 P CA -0.107 63.157 63.100 0.273 0.000 0.939 208 P CB 1.433 33.335 31.700 0.337 0.000 1.033 209 Q N 3.273 123.224 119.800 0.252 0.000 2.241 209 Q HA 0.630 4.970 4.340 -0.000 0.000 0.262 209 Q C -0.820 175.191 176.000 0.019 0.000 1.014 209 Q CA -1.029 54.898 55.803 0.206 0.000 0.885 209 Q CB 1.546 30.376 28.738 0.153 0.000 1.311 209 Q HN 0.336 nan 8.270 nan 0.000 0.461 210 A N 1.398 124.064 122.820 -0.256 0.000 2.520 210 A HA 0.381 4.701 4.320 -0.000 0.000 0.245 210 A C -0.100 177.280 177.584 -0.340 0.000 1.072 210 A CA -0.444 51.120 52.037 -0.788 0.000 0.761 210 A CB 0.037 18.638 19.000 -0.664 0.000 1.004 210 A HN 0.486 nan 8.150 nan 0.000 0.499 211 V N 6.328 126.053 119.914 -0.315 0.000 2.432 211 V HA 0.199 4.319 4.120 -0.000 0.000 0.271 211 V C -1.916 174.008 176.094 -0.283 0.000 1.046 211 V CA -1.237 60.932 62.300 -0.219 0.000 0.945 211 V CB 0.902 32.709 31.823 -0.026 0.000 0.992 211 V HN 0.790 nan 8.190 nan 0.000 0.471 212 P HA 0.150 nan 4.420 nan 0.000 0.267 212 P C -0.725 176.416 177.300 -0.264 0.000 1.201 212 P CA 0.277 63.220 63.100 -0.262 0.000 0.775 212 P CB 0.528 32.081 31.700 -0.246 0.000 0.854 213 V N 1.333 121.113 119.914 -0.223 0.000 3.147 213 V HA 0.556 4.676 4.120 -0.000 0.000 0.306 213 V C -0.464 175.577 176.094 -0.088 0.000 1.209 213 V CA -0.451 61.715 62.300 -0.224 0.000 1.023 213 V CB 2.737 34.324 31.823 -0.394 0.000 1.059 213 V HN 0.449 nan 8.190 nan 0.000 0.435 214 T N 3.235 117.786 114.554 -0.006 0.000 3.011 214 T HA 0.528 4.878 4.350 -0.000 0.000 0.303 214 T C -0.680 174.067 174.700 0.080 0.000 0.997 214 T CA -0.673 61.446 62.100 0.032 0.000 1.007 214 T CB 1.251 70.133 68.868 0.024 0.000 1.017 214 T HN 0.616 nan 8.240 nan 0.000 0.443 215 R N 2.469 123.020 120.500 0.085 0.000 2.758 215 R HA 0.850 5.190 4.340 -0.000 0.000 0.265 215 R C -1.015 175.359 176.300 0.123 0.000 1.016 215 R CA -1.019 55.128 56.100 0.079 0.000 1.040 215 R CB 1.759 32.099 30.300 0.067 0.000 1.152 215 R HN 0.421 nan 8.270 nan 0.000 0.503 216 L N 1.004 122.270 121.223 0.071 0.000 2.513 216 L HA 0.427 4.767 4.340 -0.000 0.000 0.261 216 L C -1.545 175.383 176.870 0.096 0.000 0.945 216 L CA -0.762 54.175 54.840 0.163 0.000 0.848 216 L CB 1.967 44.102 42.059 0.127 0.000 1.334 216 L HN 0.522 nan 8.230 nan 0.000 0.407 217 W N 2.972 124.308 121.300 0.059 0.000 2.671 217 W HA 0.744 5.405 4.660 0.000 0.000 0.360 217 W C -0.962 175.585 176.519 0.046 0.000 1.128 217 W CA -0.555 56.826 57.345 0.059 0.000 1.184 217 W CB 1.055 30.552 29.460 0.061 0.000 1.415 217 W HN 0.055 nan 8.180 nan 0.000 0.604 218 L N 1.921 123.317 121.223 0.289 0.000 2.409 218 L HA 0.370 4.710 4.340 -0.000 0.000 0.272 218 L C 0.322 177.294 176.870 0.170 0.000 0.980 218 L CA -0.672 54.270 54.840 0.171 0.000 0.826 218 L CB 1.596 43.716 42.059 0.101 0.000 1.268 218 L HN 0.465 nan 8.230 nan 0.000 0.407 219 S N 1.889 117.662 115.700 0.121 0.000 2.550 219 S HA -0.006 4.464 4.470 -0.000 0.000 0.285 219 S C 1.151 175.800 174.600 0.081 0.000 1.326 219 S CA -0.096 58.157 58.200 0.089 0.000 1.037 219 S CB 0.430 63.661 63.200 0.051 0.000 0.838 219 S HN 0.671 nan 8.310 nan 0.000 0.519 220 K N 1.004 121.445 120.400 0.068 0.000 2.074 220 K HA -0.194 4.126 4.320 -0.000 0.000 0.209 220 K C 2.402 179.026 176.600 0.039 0.000 1.048 220 K CA 1.666 57.985 56.287 0.053 0.000 0.926 220 K CB -0.283 32.237 32.500 0.033 0.000 0.713 220 K HN 0.572 nan 8.250 nan 0.000 0.444 221 Q N 1.084 120.903 119.800 0.032 0.000 2.061 221 Q HA -0.209 4.131 4.340 -0.000 0.000 0.204 221 Q C 2.122 178.137 176.000 0.025 0.000 0.984 221 Q CA 1.712 57.530 55.803 0.024 0.000 0.846 221 Q CB -0.162 28.587 28.738 0.019 0.000 0.902 221 Q HN 0.503 nan 8.270 nan 0.000 0.421 222 Q N -0.835 118.983 119.800 0.030 0.000 2.079 222 Q HA -0.082 4.258 4.340 -0.000 0.000 0.200 222 Q C 2.100 178.116 176.000 0.027 0.000 0.974 222 Q CA 1.615 57.433 55.803 0.024 0.000 0.840 222 Q CB -0.109 28.646 28.738 0.029 0.000 0.898 222 Q HN 0.327 nan 8.270 nan 0.000 0.430 223 T N 0.454 115.032 114.554 0.040 0.000 2.746 223 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 223 T C 2.000 176.719 174.700 0.033 0.000 1.039 223 T CA 1.447 63.571 62.100 0.039 0.000 1.142 223 T CB -0.288 68.610 68.868 0.051 0.000 0.866 223 T HN 0.246 nan 8.240 nan 0.000 0.444 224 S N 0.941 116.659 115.700 0.031 0.000 2.368 224 S HA -0.166 4.304 4.470 -0.000 0.000 0.225 224 S C 1.736 176.357 174.600 0.034 0.000 1.030 224 S CA 1.400 59.616 58.200 0.027 0.000 0.999 224 S CB -0.507 62.706 63.200 0.023 0.000 0.844 224 S HN 0.394 nan 8.310 nan 0.000 0.459 225 D N 1.089 121.508 120.400 0.032 0.000 2.117 225 D HA -0.057 4.583 4.640 -0.000 0.000 0.198 225 D C 1.944 178.282 176.300 0.064 0.000 0.982 225 D CA 0.838 54.862 54.000 0.039 0.000 0.828 225 D CB -0.617 40.192 40.800 0.015 0.000 0.967 225 D HN 0.377 nan 8.370 nan 0.000 0.464 226 L N 0.492 121.742 121.223 0.046 0.000 2.017 226 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 226 L C 2.209 179.154 176.870 0.125 0.000 1.073 226 L CA 1.537 56.423 54.840 0.075 0.000 0.745 226 L CB -0.660 41.420 42.059 0.035 0.000 0.894 226 L HN -0.076 nan 8.230 nan 0.000 0.432 227 M N -0.152 119.490 119.600 0.070 0.000 2.108 227 M HA -0.113 4.367 4.480 -0.000 0.000 0.261 227 M C 2.186 178.519 176.300 0.055 0.000 1.066 227 M CA 2.076 57.404 55.300 0.047 0.000 1.107 227 M CB -0.808 31.806 32.600 0.023 0.000 1.356 227 M HN 0.334 nan 8.290 nan 0.000 0.406 228 A N -0.726 122.138 122.820 0.073 0.000 1.933 228 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 228 A C 2.096 179.751 177.584 0.118 0.000 1.175 228 A CA 1.622 53.702 52.037 0.071 0.000 0.628 228 A CB -1.278 17.765 19.000 0.071 0.000 0.814 228 A HN 0.607 nan 8.150 nan 0.000 0.444 229 F N 1.245 121.195 119.950 0.000 0.000 2.046 229 F HA -0.075 4.452 4.527 0.000 0.000 0.297 229 F C 2.358 178.175 175.800 0.028 0.000 1.123 229 F CA 1.593 59.601 58.000 0.013 0.000 1.199 229 F CB -0.965 38.001 39.000 -0.056 0.000 0.972 229 F HN 0.195 nan 8.300 nan 0.000 0.474 230 G N 0.491 109.242 108.800 -0.082 0.000 2.446 230 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.217 230 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.217 230 G C 1.907 176.722 174.900 -0.143 0.000 1.168 230 G CA 0.681 45.666 45.100 -0.191 0.000 0.771 230 G HN 0.193 nan 8.290 nan 0.000 0.551 231 R N 0.609 121.061 120.500 -0.079 0.000 2.073 231 R HA -0.016 4.324 4.340 -0.000 0.000 0.234 231 R C 2.165 178.402 176.300 -0.104 0.000 1.134 231 R CA 0.984 57.038 56.100 -0.075 0.000 0.952 231 R CB -0.780 29.492 30.300 -0.047 0.000 0.850 231 R HN 0.467 nan 8.270 nan 0.000 0.433 232 E N 0.106 120.243 120.200 -0.105 0.000 2.495 232 E HA -0.111 4.239 4.350 -0.000 0.000 0.204 232 E C 0.178 176.513 176.600 -0.443 0.000 1.163 232 E CA 0.405 56.691 56.400 -0.190 0.000 0.922 232 E CB -0.053 29.583 29.700 -0.108 0.000 0.918 232 E HN 0.368 nan 8.360 nan 0.000 0.537 233 H N -0.718 118.198 119.070 -0.256 0.000 3.334 233 H HA 0.199 4.755 4.556 -0.000 0.000 0.256 233 H C -0.279 174.914 175.328 -0.226 0.000 1.162 233 H CA -0.134 55.737 56.048 -0.295 0.000 1.030 233 H CB 0.414 29.854 29.762 -0.537 0.000 2.151 233 H HN 0.046 nan 8.280 nan 0.000 0.742 234 R N 0.864 121.302 120.500 -0.103 0.000 3.416 234 R HA -0.161 4.178 4.340 -0.000 0.000 0.263 234 R C -0.751 175.493 176.300 -0.093 0.000 1.053 234 R CA 0.536 56.583 56.100 -0.088 0.000 0.705 234 R CB -1.750 28.506 30.300 -0.075 0.000 1.124 234 R HN 0.203 nan 8.270 nan 0.000 0.444 235 L N -0.184 120.970 121.223 -0.115 0.000 2.370 235 L HA 0.437 4.776 4.340 -0.000 0.000 0.266 235 L C 0.798 177.600 176.870 -0.114 0.000 1.002 235 L CA -0.898 53.864 54.840 -0.131 0.000 0.818 235 L CB 2.164 44.110 42.059 -0.188 0.000 1.325 235 L HN 0.135 nan 8.230 nan 0.000 0.418 236 S N 1.076 116.711 115.700 -0.108 0.000 2.601 236 S HA 0.291 4.761 4.470 -0.000 0.000 0.271 236 S C 1.064 175.609 174.600 -0.093 0.000 1.305 236 S CA -0.755 57.388 58.200 -0.093 0.000 1.022 236 S CB 1.324 64.468 63.200 -0.093 0.000 0.940 236 S HN 0.695 nan 8.310 nan 0.000 0.525 237 L N 1.263 122.443 121.223 -0.072 0.000 2.013 237 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 237 L C 2.272 179.096 176.870 -0.077 0.000 1.073 237 L CA 1.630 56.436 54.840 -0.057 0.000 0.753 237 L CB -0.686 41.348 42.059 -0.043 0.000 0.890 237 L HN 0.760 nan 8.230 nan 0.000 0.432 238 N N 0.008 118.653 118.700 -0.093 0.000 2.149 238 N HA -0.187 4.553 4.740 -0.000 0.000 0.188 238 N C 1.792 177.205 175.510 -0.163 0.000 1.019 238 N CA 1.428 54.407 53.050 -0.119 0.000 0.857 238 N CB -0.242 38.170 38.487 -0.126 0.000 0.997 238 N HN 0.390 nan 8.380 nan 0.000 0.426 239 A N 1.507 124.227 122.820 -0.166 0.000 1.859 239 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 239 A C 2.596 180.068 177.584 -0.186 0.000 1.198 239 A CA 2.130 54.049 52.037 -0.196 0.000 0.629 239 A CB -1.037 17.860 19.000 -0.171 0.000 0.830 239 A HN 0.124 nan 8.150 nan 0.000 0.446 240 V N -0.456 119.376 119.914 -0.136 0.000 2.343 240 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 240 V C 2.510 178.539 176.094 -0.108 0.000 1.051 240 V CA 1.933 64.177 62.300 -0.093 0.000 1.036 240 V CB -1.147 30.675 31.823 -0.001 0.000 0.654 240 V HN 0.353 nan 8.190 nan 0.000 0.451 241 V N 0.535 120.382 119.914 -0.111 0.000 2.295 241 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 241 V C 2.814 178.790 176.094 -0.196 0.000 1.049 241 V CA 2.112 64.339 62.300 -0.123 0.000 1.024 241 V CB -1.236 30.530 31.823 -0.094 0.000 0.648 241 V HN 0.556 nan 8.190 nan 0.000 0.447 242 A N 0.012 122.686 122.820 -0.243 0.000 1.908 242 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 242 A C 2.441 179.763 177.584 -0.437 0.000 1.181 242 A CA 2.393 54.197 52.037 -0.389 0.000 0.627 242 A CB -0.892 17.851 19.000 -0.428 0.000 0.818 242 A HN 0.594 nan 8.150 nan 0.000 0.445 243 A N -0.102 122.524 122.820 -0.324 0.000 1.851 243 A HA 0.092 4.411 4.320 -0.000 0.000 0.216 243 A C 2.581 180.038 177.584 -0.211 0.000 1.195 243 A CA 2.579 54.460 52.037 -0.260 0.000 0.622 243 A CB -1.289 17.597 19.000 -0.190 0.000 0.831 243 A HN 1.195 nan 8.150 nan 0.000 0.444 244 A N -0.006 122.712 122.820 -0.170 0.000 1.873 244 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 244 A C 2.153 179.636 177.584 -0.169 0.000 1.193 244 A CA 1.744 53.703 52.037 -0.131 0.000 0.629 244 A CB -0.781 18.158 19.000 -0.101 0.000 0.826 244 A HN 0.537 nan 8.150 nan 0.000 0.447 245 I N -0.503 119.913 120.570 -0.257 0.000 2.118 245 I HA -0.318 3.852 4.170 -0.000 0.000 0.241 245 I C 2.492 178.418 176.117 -0.318 0.000 1.070 245 I CA 1.573 62.652 61.300 -0.369 0.000 1.327 245 I CB -0.522 37.124 38.000 -0.590 0.000 1.034 245 I HN 0.313 nan 8.210 nan 0.000 0.405 246 L N 0.188 121.212 121.223 -0.332 0.000 2.017 246 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 246 L C 2.577 179.389 176.870 -0.098 0.000 1.073 246 L CA 1.374 56.071 54.840 -0.239 0.000 0.745 246 L CB -0.581 41.302 42.059 -0.294 0.000 0.894 246 L HN 0.246 nan 8.230 nan 0.000 0.432 247 L N -0.889 120.272 121.223 -0.103 0.000 2.079 247 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 247 L C 2.559 179.480 176.870 0.086 0.000 1.081 247 L CA 1.559 56.386 54.840 -0.023 0.000 0.752 247 L CB -0.919 41.111 42.059 -0.048 0.000 0.896 247 L HN 0.289 nan 8.230 nan 0.000 0.433 248 T N -1.453 113.113 114.554 0.020 0.000 2.812 248 T HA -0.106 4.244 4.350 -0.000 0.000 0.264 248 T C 1.696 176.443 174.700 0.078 0.000 1.042 248 T CA 0.770 62.900 62.100 0.050 0.000 1.140 248 T CB -0.076 68.799 68.868 0.012 0.000 0.870 248 T HN 0.239 nan 8.240 nan 0.000 0.445 249 E N -0.147 120.081 120.200 0.046 0.000 2.472 249 E HA -0.079 4.271 4.350 -0.000 0.000 0.200 249 E C 1.462 178.138 176.600 0.127 0.000 1.046 249 E CA 0.334 56.777 56.400 0.072 0.000 0.871 249 E CB -0.039 29.677 29.700 0.028 0.000 0.806 249 E HN 0.629 nan 8.360 nan 0.000 0.533 250 W N 1.721 122.992 121.300 -0.048 0.000 2.501 250 W HA -0.093 4.567 4.660 -0.000 0.000 0.309 250 W C 2.124 178.626 176.519 -0.029 0.000 1.165 250 W CA 0.888 58.208 57.345 -0.043 0.000 1.381 250 W CB -0.127 29.305 29.460 -0.047 0.000 1.142 250 W HN -0.082 nan 8.180 nan 0.000 0.509 251 Q N 0.831 120.677 119.800 0.075 0.000 2.029 251 Q HA -0.267 4.072 4.340 -0.000 0.000 0.209 251 Q C 2.307 178.212 176.000 -0.158 0.000 0.999 251 Q CA 2.537 58.276 55.803 -0.106 0.000 0.857 251 Q CB -1.517 27.235 28.738 0.024 0.000 0.926 251 Q HN 0.438 nan 8.270 nan 0.000 0.415 252 L N 0.394 121.583 121.223 -0.056 0.000 1.978 252 L HA -0.199 4.140 4.340 -0.000 0.000 0.218 252 L C 1.152 177.971 176.870 -0.085 0.000 1.075 252 L CA 1.302 56.117 54.840 -0.041 0.000 0.767 252 L CB -0.629 41.444 42.059 0.023 0.000 0.890 252 L HN 0.156 nan 8.230 nan 0.000 0.434 253 R N 1.936 122.378 120.500 -0.096 0.000 2.435 253 R HA -0.028 4.312 4.340 -0.000 0.000 0.325 253 R C 0.218 176.383 176.300 -0.225 0.000 1.149 253 R CA -0.146 55.884 56.100 -0.117 0.000 0.995 253 R CB -0.554 29.694 30.300 -0.088 0.000 1.008 253 R HN 0.125 nan 8.270 nan 0.000 0.470 254 N N 1.997 120.587 118.700 -0.184 0.000 2.926 254 N HA -0.059 4.681 4.740 -0.000 0.000 0.284 254 N C -0.503 174.881 175.510 -0.209 0.000 1.303 254 N CA 0.090 53.003 53.050 -0.229 0.000 1.062 254 N CB 0.236 38.631 38.487 -0.152 0.000 1.389 254 N HN 0.502 nan 8.380 nan 0.000 0.538 255 T N -1.534 112.875 114.554 -0.242 0.000 3.444 255 T HA 0.415 4.765 4.350 -0.000 0.000 0.265 255 T C -2.564 172.041 174.700 -0.159 0.000 1.537 255 T CA -1.991 60.020 62.100 -0.147 0.000 1.530 255 T CB 0.625 69.445 68.868 -0.080 0.000 0.958 255 T HN -0.034 nan 8.240 nan 0.000 0.684 256 P HA -0.009 nan 4.420 nan 0.000 0.269 256 P C 0.142 177.580 177.300 0.230 0.000 1.205 256 P CA 0.437 63.468 63.100 -0.115 0.000 0.780 256 P CB -0.076 31.513 31.700 -0.185 0.000 0.858 257 H N -2.614 116.689 119.070 0.388 0.000 2.496 257 H HA -0.060 4.496 4.556 -0.000 0.000 0.323 257 H C -0.490 174.926 175.328 0.147 0.000 1.054 257 H CA -0.284 55.907 56.048 0.239 0.000 1.095 257 H CB -1.009 28.858 29.762 0.176 0.000 1.595 257 H HN 0.076 nan 8.280 nan 0.000 0.388 258 V N 2.417 122.452 119.914 0.201 0.000 2.752 258 V HA 0.365 4.485 4.120 -0.000 0.000 0.302 258 V C -2.122 173.868 176.094 -0.174 0.000 1.133 258 V CA -1.642 60.580 62.300 -0.131 0.000 0.919 258 V CB 2.170 33.915 31.823 -0.129 0.000 1.026 258 V HN 0.194 nan 8.190 nan 0.000 0.429 259 P HA 0.262 nan 4.420 nan 0.000 0.268 259 P C -0.733 176.430 177.300 -0.228 0.000 1.208 259 P CA 0.118 63.059 63.100 -0.264 0.000 0.777 259 P CB 0.900 32.418 31.700 -0.302 0.000 0.875 260 I N 3.503 123.985 120.570 -0.148 0.000 2.437 260 I HA 0.221 4.391 4.170 -0.000 0.000 0.279 260 I C -2.186 173.844 176.117 -0.145 0.000 1.028 260 I CA -2.698 58.530 61.300 -0.120 0.000 1.142 260 I CB 2.028 40.012 38.000 -0.027 0.000 1.266 260 I HN 0.107 nan 8.210 nan 0.000 0.461 261 P HA -0.002 nan 4.420 nan 0.000 0.271 261 P C -1.361 175.886 177.300 -0.088 0.000 1.226 261 P CA 0.200 62.979 63.100 -0.536 0.000 0.765 261 P CB 0.606 31.475 31.700 -1.385 0.000 0.835 262 Y N 4.430 124.795 120.300 0.108 0.000 2.393 262 Y HA 0.511 5.061 4.550 -0.000 0.000 0.341 262 Y C -1.327 174.722 175.900 0.248 0.000 0.988 262 Y CA -1.193 56.985 58.100 0.130 0.000 1.078 262 Y CB 1.654 40.250 38.460 0.226 0.000 1.203 262 Y HN 0.138 nan 8.280 nan 0.000 0.453 263 V N 8.118 127.803 119.914 -0.383 0.000 2.623 263 V HA 0.411 4.531 4.120 -0.000 0.000 0.304 263 V C -1.344 174.680 176.094 -0.115 0.000 1.054 263 V CA -0.900 61.238 62.300 -0.270 0.000 0.882 263 V CB 1.181 32.952 31.823 -0.086 0.000 1.002 263 V HN 0.722 nan 8.190 nan 0.000 0.424 264 Y N 4.249 124.339 120.300 -0.350 0.000 2.576 264 Y HA 0.912 5.462 4.550 0.000 0.000 0.346 264 Y C -2.876 172.760 175.900 -0.440 0.000 1.018 264 Y CA -3.247 54.656 58.100 -0.330 0.000 1.050 264 Y CB 1.965 40.187 38.460 -0.396 0.000 1.280 264 Y HN 0.408 nan 8.280 nan 0.000 0.474 265 P HA 0.182 nan 4.420 nan 0.000 0.274 265 P C -0.984 176.139 177.300 -0.296 0.000 1.231 265 P CA -0.272 62.398 63.100 -0.717 0.000 0.790 265 P CB 2.337 33.445 31.700 -0.986 0.000 0.951 266 V N 2.679 122.474 119.914 -0.199 0.000 2.445 266 V HA 0.085 4.205 4.120 -0.000 0.000 0.283 266 V C -0.008 176.055 176.094 -0.052 0.000 1.014 266 V CA -0.481 61.761 62.300 -0.096 0.000 0.852 266 V CB 1.062 32.811 31.823 -0.123 0.000 1.021 266 V HN 0.554 nan 8.190 nan 0.000 0.435 267 D N 4.469 124.848 120.400 -0.035 0.000 2.359 267 D HA 0.071 4.711 4.640 -0.000 0.000 0.273 267 D C 1.282 177.503 176.300 -0.132 0.000 1.362 267 D CA 0.229 54.163 54.000 -0.111 0.000 1.010 267 D CB 0.910 41.567 40.800 -0.239 0.000 1.090 267 D HN 0.500 nan 8.370 nan 0.000 0.521 268 L N 3.507 124.679 121.223 -0.084 0.000 2.263 268 L HA -0.195 4.145 4.340 -0.000 0.000 0.216 268 L C 2.495 179.299 176.870 -0.109 0.000 1.111 268 L CA 0.803 55.607 54.840 -0.059 0.000 0.773 268 L CB -0.235 41.809 42.059 -0.026 0.000 0.906 268 L HN 0.304 nan 8.230 nan 0.000 0.439 269 R N -0.242 120.104 120.500 -0.257 0.000 2.139 269 R HA -0.179 4.161 4.340 -0.000 0.000 0.243 269 R C 1.793 177.950 176.300 -0.239 0.000 1.145 269 R CA 1.547 57.453 56.100 -0.323 0.000 0.976 269 R CB -0.356 29.620 30.300 -0.541 0.000 0.866 269 R HN 0.369 nan 8.270 nan 0.000 0.449 270 F N -1.239 118.715 119.950 0.008 0.000 2.765 270 F HA 0.057 4.584 4.527 -0.000 0.000 0.302 270 F C 1.634 177.430 175.800 -0.006 0.000 1.111 270 F CA -0.418 57.579 58.000 -0.005 0.000 1.359 270 F CB 0.611 39.594 39.000 -0.028 0.000 1.097 270 F HN -0.194 nan 8.300 nan 0.000 0.577 271 V N -0.546 119.441 119.914 0.122 0.000 2.911 271 V HA 0.095 4.215 4.120 -0.000 0.000 0.237 271 V C 0.901 177.021 176.094 0.044 0.000 1.156 271 V CA -0.016 62.329 62.300 0.074 0.000 1.180 271 V CB 0.125 31.976 31.823 0.047 0.000 0.932 271 V HN -0.022 nan 8.190 nan 0.000 0.483 272 L N 1.063 122.301 121.223 0.025 0.000 2.490 272 L HA 0.259 4.599 4.340 -0.000 0.000 0.274 272 L C 1.709 178.592 176.870 0.021 0.000 1.201 272 L CA 0.355 55.204 54.840 0.015 0.000 0.869 272 L CB 0.315 42.376 42.059 0.003 0.000 1.123 272 L HN 0.337 nan 8.230 nan 0.000 0.484 273 A N 6.233 129.063 122.820 0.018 0.000 2.817 273 A HA -0.163 4.157 4.320 -0.000 0.000 0.206 273 A C -1.485 176.111 177.584 0.020 0.000 1.089 273 A CA 1.071 53.118 52.037 0.018 0.000 1.047 273 A CB -2.229 16.779 19.000 0.012 0.000 0.732 273 A HN 0.671 nan 8.150 nan 0.000 0.553 274 P HA 0.193 nan 4.420 nan 0.000 0.265 274 P C -2.363 174.948 177.300 0.018 0.000 1.222 274 P CA -0.923 62.187 63.100 0.016 0.000 0.767 274 P CB 0.248 31.955 31.700 0.011 0.000 0.801 275 P HA -0.054 nan 4.420 nan 0.000 0.267 275 P C -0.570 176.739 177.300 0.016 0.000 1.200 275 P CA 0.444 63.565 63.100 0.035 0.000 0.772 275 P CB 0.602 32.341 31.700 0.065 0.000 0.855 276 V N 2.202 122.112 119.914 -0.006 0.000 2.513 276 V HA 0.502 4.622 4.120 -0.000 0.000 0.299 276 V C 0.763 176.834 176.094 -0.038 0.000 1.035 276 V CA -0.843 61.443 62.300 -0.023 0.000 0.889 276 V CB 1.304 33.106 31.823 -0.035 0.000 0.988 276 V HN 0.768 nan 8.190 nan 0.000 0.440 277 A N 7.130 129.927 122.820 -0.038 0.000 2.313 277 A HA 0.553 4.873 4.320 -0.000 0.000 0.261 277 A C -0.951 176.547 177.584 -0.143 0.000 1.090 277 A CA -1.093 50.908 52.037 -0.060 0.000 0.807 277 A CB 0.034 19.002 19.000 -0.054 0.000 1.055 277 A HN 0.680 nan 8.150 nan 0.000 0.492 278 P HA -0.168 nan 4.420 nan 0.000 0.216 278 P C 1.079 178.044 177.300 -0.559 0.000 1.153 278 P CA 2.414 65.228 63.100 -0.476 0.000 0.858 278 P CB -0.282 30.941 31.700 -0.795 0.000 0.789 279 T N -4.108 110.094 114.554 -0.587 0.000 3.122 279 T HA 0.136 4.486 4.350 -0.000 0.000 0.250 279 T C 1.601 176.139 174.700 -0.268 0.000 1.067 279 T CA -0.123 61.451 62.100 -0.877 0.000 0.966 279 T CB -0.325 68.140 68.868 -0.671 0.000 1.002 279 T HN 0.174 nan 8.240 nan 0.000 0.542 280 E N 1.169 121.278 120.200 -0.152 0.000 2.216 280 E HA 0.230 4.580 4.350 -0.000 0.000 0.192 280 E C 0.629 177.237 176.600 0.013 0.000 0.988 280 E CA 0.336 56.712 56.400 -0.040 0.000 0.834 280 E CB 0.161 29.838 29.700 -0.039 0.000 0.772 280 E HN 0.674 nan 8.360 nan 0.000 0.479 281 A N -0.543 122.298 122.820 0.035 0.000 2.435 281 A HA 0.432 4.752 4.320 -0.000 0.000 0.304 281 A C 0.570 178.263 177.584 0.181 0.000 1.064 281 A CA -0.529 51.556 52.037 0.078 0.000 0.727 281 A CB 1.563 20.586 19.000 0.039 0.000 1.284 281 A HN 0.071 nan 8.150 nan 0.000 0.415 282 T N 1.284 115.901 114.554 0.106 0.000 2.496 282 T HA -0.055 4.295 4.350 -0.000 0.000 0.254 282 T C 0.595 175.330 174.700 0.058 0.000 1.161 282 T CA 1.325 63.446 62.100 0.034 0.000 1.231 282 T CB -0.253 68.615 68.868 -0.000 0.000 0.866 282 T HN 0.671 nan 8.240 nan 0.000 0.396 283 N N 1.304 120.050 118.700 0.077 0.000 2.442 283 N HA 0.426 5.166 4.740 -0.000 0.000 0.274 283 N C -1.310 174.271 175.510 0.118 0.000 1.002 283 N CA -0.252 52.874 53.050 0.127 0.000 0.910 283 N CB 2.138 40.736 38.487 0.185 0.000 1.244 283 N HN 0.084 nan 8.380 nan 0.000 0.492 284 L N 3.488 124.777 121.223 0.110 0.000 3.193 284 L HA 0.409 4.749 4.340 -0.000 0.000 0.305 284 L C -1.158 175.751 176.870 0.065 0.000 1.299 284 L CA -0.038 54.844 54.840 0.069 0.000 0.904 284 L CB 0.246 42.317 42.059 0.021 0.000 1.331 284 L HN 0.414 nan 8.230 nan 0.000 0.588 285 L N 0.885 122.185 121.223 0.129 0.000 2.259 285 L HA 0.521 4.861 4.340 -0.000 0.000 0.288 285 L C 1.100 178.047 176.870 0.129 0.000 1.051 285 L CA -0.457 54.448 54.840 0.108 0.000 0.824 285 L CB 0.766 42.929 42.059 0.172 0.000 1.206 285 L HN 0.353 nan 8.230 nan 0.000 0.429 286 G N 2.474 111.301 108.800 0.046 0.000 2.651 286 G HA2 0.495 4.455 3.960 -0.000 0.000 0.260 286 G HA3 0.495 4.455 3.960 -0.000 0.000 0.260 286 G C -0.433 174.469 174.900 0.004 0.000 1.216 286 G CA -0.256 44.866 45.100 0.036 0.000 0.913 286 G HN 0.698 nan 8.290 nan 0.000 0.535 287 A N -0.540 122.268 122.820 -0.021 0.000 2.311 287 A HA 0.761 5.081 4.320 -0.000 0.000 0.306 287 A C 0.214 177.664 177.584 -0.224 0.000 1.189 287 A CA 0.009 52.011 52.037 -0.059 0.000 0.791 287 A CB 1.010 20.032 19.000 0.037 0.000 1.172 287 A HN 1.622 nan 8.150 nan 0.000 0.481 288 A N 2.268 124.801 122.820 -0.477 0.000 2.310 288 A HA 0.760 5.080 4.320 -0.000 0.000 0.299 288 A C 0.523 177.823 177.584 -0.473 0.000 1.147 288 A CA 0.100 51.783 52.037 -0.590 0.000 0.818 288 A CB 0.392 18.722 19.000 -1.117 0.000 1.096 288 A HN 1.735 nan 8.150 nan 0.000 0.495 289 S N 0.593 116.120 115.700 -0.288 0.000 2.568 289 S HA 0.790 5.260 4.470 -0.000 0.000 0.302 289 S C -0.982 173.649 174.600 0.052 0.000 1.082 289 S CA -0.608 57.451 58.200 -0.236 0.000 1.009 289 S CB 1.340 64.185 63.200 -0.591 0.000 1.069 289 S HN 1.261 nan 8.310 nan 0.000 0.500 290 Y N 0.884 121.252 120.300 0.113 0.000 2.474 290 Y HA 0.538 5.088 4.550 -0.000 0.000 0.326 290 Y C -2.269 173.867 175.900 0.393 0.000 1.160 290 Y CA -1.062 57.184 58.100 0.244 0.000 1.056 290 Y CB 1.171 39.839 38.460 0.346 0.000 1.330 290 Y HN 0.851 nan 8.280 nan 0.000 0.447 291 L N 6.218 127.194 121.223 -0.411 0.000 2.262 291 L HA 0.828 5.168 4.340 -0.000 0.000 0.288 291 L C -0.506 176.049 176.870 -0.525 0.000 1.035 291 L CA -0.347 54.355 54.840 -0.229 0.000 0.820 291 L CB 0.636 42.642 42.059 -0.089 0.000 1.204 291 L HN 0.739 nan 8.230 nan 0.000 0.424 292 A N 5.231 127.955 122.820 -0.160 0.000 2.310 292 A HA 0.437 4.757 4.320 -0.000 0.000 0.300 292 A C -0.044 177.491 177.584 -0.082 0.000 1.269 292 A CA -0.399 51.632 52.037 -0.011 0.000 0.909 292 A CB -0.166 18.901 19.000 0.112 0.000 1.144 292 A HN 0.729 nan 8.150 nan 0.000 0.540 293 E N 3.199 123.344 120.200 -0.091 0.000 2.167 293 E HA 0.311 4.661 4.350 -0.000 0.000 0.247 293 E C -1.098 175.412 176.600 -0.150 0.000 0.961 293 E CA -0.247 56.095 56.400 -0.097 0.000 0.797 293 E CB 0.711 30.364 29.700 -0.078 0.000 1.182 293 E HN 0.610 nan 8.360 nan 0.000 0.437 294 I N 1.475 121.877 120.570 -0.280 0.000 2.440 294 I HA 0.337 4.507 4.170 -0.000 0.000 0.294 294 I C 0.906 176.536 176.117 -0.811 0.000 0.995 294 I CA -0.044 60.890 61.300 -0.611 0.000 1.306 294 I CB 1.561 38.998 38.000 -0.938 0.000 1.407 294 I HN 0.328 nan 8.210 nan 0.000 0.501 295 G N 4.556 112.900 108.800 -0.759 0.000 2.714 295 G HA2 0.528 4.488 3.960 -0.000 0.000 0.292 295 G HA3 0.528 4.488 3.960 -0.000 0.000 0.292 295 G C -2.434 172.054 174.900 -0.686 0.000 1.308 295 G CA -1.178 43.600 45.100 -0.536 0.000 0.964 295 G HN 0.352 nan 8.290 nan 0.000 0.484 296 P HA -0.025 nan 4.420 nan 0.000 0.223 296 P C 0.837 178.106 177.300 -0.052 0.000 1.144 296 P CA 0.946 64.066 63.100 0.032 0.000 0.783 296 P CB 0.324 32.110 31.700 0.143 0.000 0.771 297 N N -2.642 115.999 118.700 -0.099 0.000 2.177 297 N HA 0.054 4.794 4.740 -0.000 0.000 0.218 297 N C -0.183 175.274 175.510 -0.089 0.000 1.182 297 N CA 0.253 53.263 53.050 -0.067 0.000 0.882 297 N CB 0.088 38.557 38.487 -0.030 0.000 1.052 297 N HN 0.040 nan 8.380 nan 0.000 0.519 298 T N 1.784 116.241 114.554 -0.162 0.000 2.849 298 T HA -0.087 4.263 4.350 -0.000 0.000 0.289 298 T C 0.149 174.802 174.700 -0.078 0.000 1.010 298 T CA 0.607 62.620 62.100 -0.145 0.000 1.161 298 T CB 0.517 69.239 68.868 -0.242 0.000 0.989 298 T HN 0.152 nan 8.240 nan 0.000 0.523 299 D N 1.607 121.989 120.400 -0.030 0.000 2.264 299 D HA 0.251 4.891 4.640 -0.000 0.000 0.250 299 D C 1.053 177.376 176.300 0.039 0.000 1.113 299 D CA -0.701 53.322 54.000 0.037 0.000 0.871 299 D CB 0.609 41.452 40.800 0.073 0.000 1.167 299 D HN 0.296 nan 8.370 nan 0.000 0.447 300 I N 3.408 124.034 120.570 0.094 0.000 2.151 300 I HA -0.247 3.923 4.170 -0.000 0.000 0.243 300 I C 2.279 178.368 176.117 -0.048 0.000 1.080 300 I CA 0.911 62.228 61.300 0.029 0.000 1.339 300 I CB -0.645 37.403 38.000 0.079 0.000 1.039 300 I HN 0.416 nan 8.210 nan 0.000 0.409 301 V N 0.583 120.451 119.914 -0.077 0.000 2.427 301 V HA -0.235 3.884 4.120 -0.000 0.000 0.248 301 V C 2.155 178.185 176.094 -0.106 0.000 1.051 301 V CA 1.874 64.039 62.300 -0.224 0.000 1.048 301 V CB -0.723 30.856 31.823 -0.406 0.000 0.666 301 V HN 0.381 nan 8.190 nan 0.000 0.456 302 D N 0.057 120.442 120.400 -0.025 0.000 2.078 302 D HA -0.165 4.475 4.640 -0.000 0.000 0.193 302 D C 2.032 178.306 176.300 -0.043 0.000 0.990 302 D CA 1.357 55.346 54.000 -0.018 0.000 0.827 302 D CB -0.457 40.348 40.800 0.007 0.000 0.975 302 D HN 0.302 nan 8.370 nan 0.000 0.451 303 L N 1.300 122.491 121.223 -0.054 0.000 1.978 303 L HA -0.257 4.083 4.340 -0.000 0.000 0.218 303 L C 2.205 178.986 176.870 -0.147 0.000 1.075 303 L CA 2.507 57.301 54.840 -0.076 0.000 0.767 303 L CB -1.135 40.864 42.059 -0.099 0.000 0.890 303 L HN 0.031 nan 8.230 nan 0.000 0.434 304 A N -1.562 121.157 122.820 -0.169 0.000 1.873 304 A HA -0.291 4.029 4.320 -0.000 0.000 0.218 304 A C 2.460 179.934 177.584 -0.183 0.000 1.193 304 A CA 2.492 54.406 52.037 -0.206 0.000 0.629 304 A CB -1.405 17.479 19.000 -0.193 0.000 0.826 304 A HN 0.575 nan 8.150 nan 0.000 0.447 305 S N -0.643 114.975 115.700 -0.136 0.000 2.368 305 S HA -0.253 4.217 4.470 -0.000 0.000 0.226 305 S C 1.888 176.441 174.600 -0.078 0.000 1.044 305 S CA 1.956 60.098 58.200 -0.097 0.000 1.062 305 S CB -0.510 62.651 63.200 -0.065 0.000 0.931 305 S HN 0.729 nan 8.310 nan 0.000 0.440 306 D N 0.697 121.061 120.400 -0.061 0.000 2.117 306 D HA -0.060 4.580 4.640 -0.000 0.000 0.197 306 D C 1.820 178.085 176.300 -0.057 0.000 0.987 306 D CA 1.047 55.048 54.000 0.001 0.000 0.829 306 D CB -0.308 40.547 40.800 0.093 0.000 0.961 306 D HN 0.428 nan 8.370 nan 0.000 0.460 307 I N -0.297 120.083 120.570 -0.317 0.000 2.208 307 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 307 I C 2.350 178.359 176.117 -0.180 0.000 1.097 307 I CA 0.660 61.618 61.300 -0.569 0.000 1.363 307 I CB -0.193 37.402 38.000 -0.676 0.000 1.051 307 I HN 0.008 nan 8.210 nan 0.000 0.413 308 V N 0.915 120.750 119.914 -0.131 0.000 2.358 308 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 308 V C 2.711 178.802 176.094 -0.005 0.000 1.047 308 V CA 1.850 64.117 62.300 -0.054 0.000 1.035 308 V CB -0.971 30.809 31.823 -0.072 0.000 0.658 308 V HN 0.486 nan 8.190 nan 0.000 0.452 309 A N 0.311 123.130 122.820 -0.002 0.000 1.865 309 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 309 A C 2.419 180.034 177.584 0.053 0.000 1.191 309 A CA 2.730 54.781 52.037 0.023 0.000 0.623 309 A CB -1.220 17.798 19.000 0.029 0.000 0.826 309 A HN 0.513 nan 8.150 nan 0.000 0.444 310 T N 0.135 114.746 114.554 0.095 0.000 2.699 310 T HA -0.198 4.152 4.350 -0.000 0.000 0.268 310 T C 1.803 176.564 174.700 0.102 0.000 1.036 310 T CA 1.627 63.811 62.100 0.139 0.000 1.147 310 T CB -0.428 68.623 68.868 0.304 0.000 0.862 310 T HN 0.328 nan 8.240 nan 0.000 0.446 311 L N 1.253 122.537 121.223 0.102 0.000 2.027 311 L HA 0.008 4.348 4.340 -0.000 0.000 0.206 311 L C 2.520 179.416 176.870 0.043 0.000 1.074 311 L CA 1.614 56.504 54.840 0.083 0.000 0.745 311 L CB -0.473 41.667 42.059 0.134 0.000 0.898 311 L HN 0.057 nan 8.230 nan 0.000 0.433 312 R N -0.207 120.314 120.500 0.036 0.000 2.080 312 R HA -0.174 4.166 4.340 -0.000 0.000 0.236 312 R C 2.227 178.538 176.300 0.018 0.000 1.137 312 R CA 1.487 57.599 56.100 0.021 0.000 0.943 312 R CB -1.029 29.279 30.300 0.013 0.000 0.846 312 R HN 0.540 nan 8.270 nan 0.000 0.431 313 A N 1.984 124.818 122.820 0.023 0.000 1.859 313 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 313 A C 1.763 179.354 177.584 0.012 0.000 1.198 313 A CA 2.100 54.148 52.037 0.019 0.000 0.629 313 A CB -0.696 18.320 19.000 0.027 0.000 0.830 313 A HN 0.226 nan 8.150 nan 0.000 0.446 314 D N -0.169 120.238 120.400 0.012 0.000 2.149 314 D HA -0.167 4.473 4.640 -0.000 0.000 0.194 314 D C 1.922 178.218 176.300 -0.008 0.000 1.001 314 D CA 1.350 55.347 54.000 -0.004 0.000 0.849 314 D CB -0.379 40.411 40.800 -0.017 0.000 0.939 314 D HN 0.478 nan 8.370 nan 0.000 0.449 315 L N 0.440 121.662 121.223 -0.002 0.000 2.056 315 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 315 L C 2.508 179.379 176.870 0.002 0.000 1.078 315 L CA 1.131 55.970 54.840 -0.000 0.000 0.749 315 L CB -0.362 41.701 42.059 0.007 0.000 0.901 315 L HN -0.026 nan 8.230 nan 0.000 0.433 316 A N -0.163 122.660 122.820 0.004 0.000 2.019 316 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 316 A C 1.822 179.407 177.584 0.002 0.000 1.164 316 A CA 1.835 53.874 52.037 0.003 0.000 0.644 316 A CB -0.682 18.320 19.000 0.004 0.000 0.805 316 A HN 0.580 nan 8.150 nan 0.000 0.449 317 N N -1.423 117.277 118.700 -0.000 0.000 2.280 317 N HA 0.272 5.012 4.740 -0.000 0.000 0.192 317 N C 0.843 176.351 175.510 -0.005 0.000 1.109 317 N CA 0.297 53.346 53.050 -0.002 0.000 0.855 317 N CB 0.263 38.748 38.487 -0.004 0.000 0.974 317 N HN 0.546 nan 8.380 nan 0.000 0.482 318 G N 0.895 109.692 108.800 -0.005 0.000 2.176 318 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.252 318 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.252 318 G C 0.829 175.722 174.900 -0.012 0.000 1.024 318 G CA 0.396 45.492 45.100 -0.006 0.000 0.755 318 G HN 0.160 nan 8.290 nan 0.000 0.507 319 V N 0.286 120.189 119.914 -0.018 0.000 2.270 319 V HA -0.182 3.938 4.120 -0.000 0.000 0.245 319 V C 2.825 178.898 176.094 -0.035 0.000 1.043 319 V CA 2.375 64.658 62.300 -0.029 0.000 1.014 319 V CB -0.556 31.244 31.823 -0.038 0.000 0.645 319 V HN 0.568 nan 8.190 nan 0.000 0.447 320 I N -0.162 120.384 120.570 -0.040 0.000 2.226 320 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 320 I C 2.664 178.768 176.117 -0.023 0.000 1.100 320 I CA 1.406 62.678 61.300 -0.046 0.000 1.374 320 I CB -0.487 37.478 38.000 -0.058 0.000 1.057 320 I HN 0.302 nan 8.210 nan 0.000 0.413 321 Q N 0.754 120.545 119.800 -0.014 0.000 2.061 321 Q HA -0.212 4.128 4.340 -0.000 0.000 0.204 321 Q C 1.862 177.861 176.000 -0.001 0.000 0.984 321 Q CA 1.482 57.283 55.803 -0.004 0.000 0.846 321 Q CB -0.236 28.501 28.738 -0.001 0.000 0.902 321 Q HN 0.553 nan 8.270 nan 0.000 0.421 322 Q N -0.652 119.145 119.800 -0.004 0.000 2.282 322 Q HA 0.186 4.526 4.340 -0.000 0.000 0.206 322 Q C 1.613 177.613 176.000 0.000 0.000 0.878 322 Q CA 0.294 56.097 55.803 -0.000 0.000 0.944 322 Q CB 0.536 29.273 28.738 -0.001 0.000 1.100 322 Q HN 0.273 nan 8.270 nan 0.000 0.509 323 S N 0.632 116.328 115.700 -0.006 0.000 2.359 323 S HA -0.140 4.330 4.470 -0.000 0.000 0.224 323 S C 1.655 176.263 174.600 0.012 0.000 1.035 323 S CA 1.879 60.073 58.200 -0.010 0.000 1.018 323 S CB -0.315 62.868 63.200 -0.028 0.000 0.876 323 S HN 0.683 nan 8.310 nan 0.000 0.448 324 G N -0.132 108.686 108.800 0.030 0.000 2.157 324 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.248 324 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.248 324 G C -0.054 174.911 174.900 0.108 0.000 0.979 324 G CA 0.418 45.553 45.100 0.059 0.000 0.650 324 G HN 0.578 nan 8.290 nan 0.000 0.529 325 L N 2.567 123.838 121.223 0.080 0.000 2.295 325 L HA 0.584 4.924 4.340 -0.000 0.000 0.285 325 L C 0.864 177.807 176.870 0.122 0.000 1.035 325 L CA -1.314 53.574 54.840 0.081 0.000 0.806 325 L CB 1.010 43.061 42.059 -0.014 0.000 1.214 325 L HN 0.408 nan 8.230 nan 0.000 0.426 326 H N 1.223 120.321 119.070 0.045 0.000 2.595 326 H HA 0.201 4.757 4.556 -0.000 0.000 0.346 326 H C 0.175 175.595 175.328 0.152 0.000 1.181 326 H CA -1.065 55.037 56.048 0.090 0.000 1.242 326 H CB 1.495 31.302 29.762 0.074 0.000 1.652 326 H HN 0.521 nan 8.280 nan 0.000 0.548 327 F N 1.828 121.807 119.950 0.048 0.000 2.604 327 F HA 0.107 4.633 4.527 -0.000 0.000 0.298 327 F C 2.185 177.969 175.800 -0.026 0.000 1.131 327 F CA 0.969 58.975 58.000 0.011 0.000 1.457 327 F CB -0.619 38.432 39.000 0.086 0.000 1.095 327 F HN 0.821 nan 8.300 nan 0.000 0.574 328 G N -0.640 108.197 108.800 0.062 0.000 2.501 328 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.220 328 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.220 328 G C 1.583 176.262 174.900 -0.368 0.000 1.114 328 G CA 1.336 46.408 45.100 -0.046 0.000 0.757 328 G HN 0.452 nan 8.290 nan 0.000 0.559 329 T N -1.481 112.746 114.554 -0.545 0.000 3.098 329 T HA 0.269 4.619 4.350 -0.000 0.000 0.266 329 T C 2.383 176.748 174.700 -0.559 0.000 1.145 329 T CA 1.197 63.029 62.100 -0.448 0.000 1.092 329 T CB -0.074 68.609 68.868 -0.309 0.000 0.908 329 T HN 0.302 nan 8.240 nan 0.000 0.526 330 A N 0.808 123.062 122.820 -0.945 0.000 2.019 330 A HA 0.153 4.473 4.320 -0.000 0.000 0.219 330 A C 1.752 178.587 177.584 -1.248 0.000 1.164 330 A CA 0.795 51.807 52.037 -1.709 0.000 0.644 330 A CB -0.981 16.823 19.000 -1.994 0.000 0.805 330 A HN 0.553 nan 8.150 nan 0.000 0.449 331 F N -0.116 119.362 119.950 -0.786 0.000 2.558 331 F HA 0.032 4.559 4.527 -0.000 0.000 0.298 331 F C 2.084 177.460 175.800 -0.705 0.000 1.119 331 F CA 1.187 58.757 58.000 -0.717 0.000 1.451 331 F CB -0.034 38.520 39.000 -0.745 0.000 1.091 331 F HN 0.275 nan 8.300 nan 0.000 0.563 332 E N -0.142 119.810 120.200 -0.412 0.000 2.481 332 E HA 0.198 4.548 4.350 -0.000 0.000 0.195 332 E C 1.597 178.120 176.600 -0.130 0.000 1.047 332 E CA 0.350 56.615 56.400 -0.225 0.000 0.867 332 E CB -0.171 29.453 29.700 -0.126 0.000 0.858 332 E HN 0.373 nan 8.360 nan 0.000 0.513 333 G N 0.791 109.468 108.800 -0.205 0.000 2.528 333 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.262 333 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.262 333 G C -0.046 174.915 174.900 0.101 0.000 1.200 333 G CA -0.063 45.003 45.100 -0.057 0.000 0.951 333 G HN 0.193 nan 8.290 nan 0.000 0.566 334 T N 4.388 118.997 114.554 0.092 0.000 2.738 334 T HA 0.583 4.933 4.350 -0.000 0.000 0.298 334 T C -1.831 172.890 174.700 0.035 0.000 0.962 334 T CA -0.167 61.978 62.100 0.074 0.000 0.972 334 T CB 1.543 70.433 68.868 0.037 0.000 0.928 334 T HN 0.664 nan 8.240 nan 0.000 0.474 335 P HA 0.185 nan 4.420 nan 0.000 0.267 335 P C -2.558 174.724 177.300 -0.031 0.000 1.205 335 P CA -1.392 61.718 63.100 0.017 0.000 0.765 335 P CB -0.124 31.596 31.700 0.033 0.000 0.828 336 P HA -0.035 nan 4.420 nan 0.000 0.261 336 P C 0.777 177.925 177.300 -0.253 0.000 1.173 336 P CA 0.998 64.072 63.100 -0.043 0.000 0.760 336 P CB -0.001 31.738 31.700 0.065 0.000 0.783 337 G N 1.538 110.053 108.800 -0.475 0.000 2.138 337 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.193 337 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.193 337 G C -0.421 174.152 174.900 -0.545 0.000 0.998 337 G CA -0.332 44.062 45.100 -1.175 0.000 0.668 337 G HN 0.528 nan 8.290 nan 0.000 0.516 338 L N 0.544 121.598 121.223 -0.283 0.000 2.466 338 L HA 0.558 4.898 4.340 -0.000 0.000 0.258 338 L C -2.188 174.592 176.870 -0.150 0.000 0.973 338 L CA -2.348 52.374 54.840 -0.196 0.000 0.826 338 L CB 3.029 44.968 42.059 -0.199 0.000 1.372 338 L HN -0.079 nan 8.230 nan 0.000 0.409 339 P HA 0.201 nan 4.420 nan 0.000 0.274 339 P C -2.660 174.560 177.300 -0.133 0.000 1.231 339 P CA -1.622 61.398 63.100 -0.133 0.000 0.790 339 P CB -0.239 31.354 31.700 -0.178 0.000 0.951 340 P HA -0.048 nan 4.420 nan 0.000 0.255 340 P C -0.145 177.111 177.300 -0.073 0.000 1.151 340 P CA 0.766 63.843 63.100 -0.038 0.000 0.767 340 P CB -0.062 31.640 31.700 0.003 0.000 0.736 341 L N 4.400 125.573 121.223 -0.085 0.000 2.466 341 L HA 0.261 4.601 4.340 -0.000 0.000 0.257 341 L C 0.370 177.162 176.870 -0.129 0.000 1.189 341 L CA 0.172 54.891 54.840 -0.202 0.000 0.813 341 L CB 0.603 42.459 42.059 -0.338 0.000 1.118 341 L HN 0.113 nan 8.230 nan 0.000 0.471 342 V N 1.426 121.213 119.914 -0.213 0.000 2.531 342 V HA 0.463 4.583 4.120 -0.000 0.000 0.301 342 V C -0.866 175.190 176.094 -0.063 0.000 1.034 342 V CA -0.531 61.781 62.300 0.020 0.000 0.865 342 V CB 1.429 33.313 31.823 0.101 0.000 0.995 342 V HN 0.374 nan 8.190 nan 0.000 0.424 343 F N 3.283 123.411 119.950 0.297 0.000 2.507 343 F HA 0.708 5.235 4.527 -0.000 0.000 0.325 343 F C 0.096 176.131 175.800 0.392 0.000 1.116 343 F CA -0.465 57.721 58.000 0.310 0.000 0.930 343 F CB 1.762 40.837 39.000 0.126 0.000 1.146 343 F HN 0.546 nan 8.300 nan 0.000 0.447 344 C N 2.142 121.800 119.300 0.597 0.000 2.712 344 C HA 0.914 5.374 4.460 -0.000 0.000 0.308 344 C C -0.672 174.502 174.990 0.307 0.000 1.201 344 C CA -0.084 59.186 59.018 0.420 0.000 1.554 344 C CB 1.196 29.135 27.740 0.332 0.000 2.117 344 C HN 0.958 nan 8.230 nan 0.000 0.480 345 T N 2.248 116.921 114.554 0.198 0.000 2.906 345 T HA 0.609 4.959 4.350 -0.000 0.000 0.295 345 T C -0.500 174.218 174.700 0.029 0.000 1.061 345 T CA -0.365 61.782 62.100 0.079 0.000 1.000 345 T CB 1.788 70.756 68.868 0.166 0.000 1.103 345 T HN 0.751 nan 8.240 nan 0.000 0.486 346 D N -0.665 119.725 120.400 -0.017 0.000 2.480 346 D HA 0.153 4.793 4.640 -0.000 0.000 0.276 346 D C 1.218 177.493 176.300 -0.043 0.000 1.294 346 D CA -0.314 53.669 54.000 -0.029 0.000 0.829 346 D CB -0.484 40.293 40.800 -0.039 0.000 1.242 346 D HN 0.574 nan 8.370 nan 0.000 0.513 347 A N 0.216 123.015 122.820 -0.034 0.000 2.261 347 A HA 0.326 4.646 4.320 -0.000 0.000 0.208 347 A C 0.378 177.946 177.584 -0.027 0.000 1.223 347 A CA 0.387 52.407 52.037 -0.030 0.000 0.833 347 A CB -0.352 18.644 19.000 -0.007 0.000 0.830 347 A HN 0.144 nan 8.150 nan 0.000 0.483 348 T N 0.806 115.321 114.554 -0.066 0.000 2.949 348 T HA 0.578 4.928 4.350 -0.000 0.000 0.300 348 T C -0.809 173.714 174.700 -0.296 0.000 0.988 348 T CA -0.012 61.985 62.100 -0.171 0.000 0.993 348 T CB 1.322 70.145 68.868 -0.074 0.000 0.984 348 T HN 0.506 nan 8.240 nan 0.000 0.442 349 S N 1.596 116.951 115.700 -0.575 0.000 2.586 349 S HA 0.694 5.164 4.470 -0.000 0.000 0.277 349 S C -1.717 172.412 174.600 -0.784 0.000 1.131 349 S CA -1.134 56.746 58.200 -0.534 0.000 0.848 349 S CB 0.731 63.824 63.200 -0.178 0.000 1.091 349 S HN 0.447 nan 8.310 nan 0.000 0.453 350 F N 1.599 121.560 119.950 0.019 0.000 2.686 350 F HA 0.466 4.993 4.527 -0.000 0.000 0.365 350 F C -1.873 173.983 175.800 0.092 0.000 1.196 350 F CA -1.668 56.347 58.000 0.025 0.000 1.198 350 F CB 1.573 40.538 39.000 -0.059 0.000 1.454 350 F HN 0.452 nan 8.300 nan 0.000 0.539 351 P HA 0.037 nan 4.420 nan 0.000 0.255 351 P C 0.627 178.010 177.300 0.138 0.000 1.248 351 P CA 0.590 63.790 63.100 0.166 0.000 0.807 351 P CB 0.296 32.054 31.700 0.097 0.000 1.150 352 T N -4.421 110.222 114.554 0.149 0.000 3.393 352 T HA 0.291 4.641 4.350 -0.000 0.000 0.298 352 T C 0.506 175.277 174.700 0.119 0.000 1.004 352 T CA -0.531 61.640 62.100 0.119 0.000 0.956 352 T CB -0.419 68.512 68.868 0.104 0.000 1.182 352 T HN -0.229 nan 8.240 nan 0.000 0.497 353 M N 2.685 122.351 119.600 0.111 0.000 2.238 353 M HA 0.332 4.812 4.480 -0.000 0.000 0.350 353 M C 0.399 176.744 176.300 0.075 0.000 1.321 353 M CA 0.503 55.821 55.300 0.030 0.000 1.097 353 M CB 0.095 32.618 32.600 -0.128 0.000 1.713 353 M HN 0.304 nan 8.290 nan 0.000 0.455 354 R N 1.455 122.041 120.500 0.144 0.000 2.664 354 R HA 0.726 5.066 4.340 -0.000 0.000 0.286 354 R C -0.103 176.376 176.300 0.298 0.000 0.967 354 R CA -0.689 55.523 56.100 0.187 0.000 0.933 354 R CB 1.779 32.184 30.300 0.175 0.000 1.146 354 R HN 0.775 nan 8.270 nan 0.000 0.468 355 T N -0.960 113.740 114.554 0.243 0.000 2.956 355 T HA 0.454 4.804 4.350 -0.000 0.000 0.312 355 T C -2.770 172.034 174.700 0.172 0.000 1.151 355 T CA -1.816 60.461 62.100 0.294 0.000 1.024 355 T CB 2.200 71.243 68.868 0.292 0.000 1.140 355 T HN 0.350 nan 8.240 nan 0.000 0.473 356 P HA 0.302 nan 4.420 nan 0.000 0.274 356 P C -1.872 175.464 177.300 0.060 0.000 1.246 356 P CA -1.409 61.715 63.100 0.040 0.000 0.795 356 P CB 0.179 31.841 31.700 -0.064 0.000 1.006 357 P HA -0.145 nan 4.420 nan 0.000 0.227 357 P C 1.287 178.613 177.300 0.042 0.000 1.145 357 P CA 1.453 64.575 63.100 0.036 0.000 0.769 357 P CB -0.577 31.135 31.700 0.020 0.000 0.769 358 G N -1.081 107.750 108.800 0.051 0.000 2.719 358 G HA2 0.154 4.114 3.960 -0.000 0.000 0.211 358 G HA3 0.154 4.114 3.960 -0.000 0.000 0.211 358 G C 0.565 175.517 174.900 0.086 0.000 1.140 358 G CA -0.035 45.100 45.100 0.059 0.000 0.790 358 G HN 0.203 nan 8.290 nan 0.000 0.529 359 L N 0.599 121.895 121.223 0.122 0.000 2.334 359 L HA 0.630 4.970 4.340 -0.000 0.000 0.272 359 L C -1.096 175.852 176.870 0.130 0.000 1.020 359 L CA -0.807 54.120 54.840 0.146 0.000 0.812 359 L CB 2.238 44.435 42.059 0.231 0.000 1.264 359 L HN 0.042 nan 8.230 nan 0.000 0.439 360 E N 2.929 123.197 120.200 0.114 0.000 2.274 360 E HA 0.409 4.759 4.350 -0.000 0.000 0.269 360 E C -1.059 175.601 176.600 0.101 0.000 0.891 360 E CA -0.311 56.148 56.400 0.099 0.000 0.784 360 E CB 2.308 32.050 29.700 0.070 0.000 1.225 360 E HN 0.341 nan 8.360 nan 0.000 0.412 361 I N 3.097 123.732 120.570 0.108 0.000 2.452 361 I HA 0.028 4.198 4.170 -0.000 0.000 0.287 361 I C 1.138 177.320 176.117 0.108 0.000 1.079 361 I CA 0.339 61.695 61.300 0.093 0.000 1.387 361 I CB 0.741 38.775 38.000 0.056 0.000 1.404 361 I HN 0.636 nan 8.210 nan 0.000 0.522 362 E N 3.062 123.311 120.200 0.082 0.000 2.216 362 E HA 0.030 4.380 4.350 -0.000 0.000 0.192 362 E C -0.328 176.339 176.600 0.111 0.000 0.973 362 E CA 0.432 56.880 56.400 0.081 0.000 0.851 362 E CB 0.475 30.200 29.700 0.043 0.000 0.804 362 E HN 0.589 nan 8.360 nan 0.000 0.477 363 D N -0.608 119.836 120.400 0.073 0.000 2.721 363 D HA 0.206 4.846 4.640 -0.000 0.000 0.221 363 D C -1.687 174.572 176.300 -0.067 0.000 1.208 363 D CA -0.372 53.668 54.000 0.067 0.000 0.755 363 D CB 0.997 41.868 40.800 0.119 0.000 1.732 363 D HN -0.117 nan 8.370 nan 0.000 0.490 364 I N 2.344 122.801 120.570 -0.189 0.000 2.412 364 I HA 0.476 4.645 4.170 -0.000 0.000 0.296 364 I C -0.042 175.994 176.117 -0.134 0.000 0.987 364 I CA -0.652 60.488 61.300 -0.266 0.000 1.180 364 I CB 1.669 39.374 38.000 -0.491 0.000 1.340 364 I HN 0.096 nan 8.210 nan 0.000 0.455 365 K N 3.486 123.819 120.400 -0.110 0.000 2.513 365 K HA 0.585 4.905 4.320 -0.000 0.000 0.251 365 K C -0.606 175.956 176.600 -0.063 0.000 0.939 365 K CA -0.555 55.701 56.287 -0.052 0.000 0.793 365 K CB 2.461 34.946 32.500 -0.024 0.000 1.241 365 K HN 0.783 nan 8.250 nan 0.000 0.431 366 G N 1.495 110.273 108.800 -0.037 0.000 2.400 366 G HA2 0.516 4.476 3.960 -0.000 0.000 0.333 366 G HA3 0.516 4.476 3.960 -0.000 0.000 0.333 366 G C -1.299 173.504 174.900 -0.161 0.000 1.143 366 G CA -0.195 44.855 45.100 -0.084 0.000 0.914 366 G HN 0.441 nan 8.290 nan 0.000 0.480 367 Q N 0.288 119.948 119.800 -0.233 0.000 2.353 367 Q HA 0.445 4.785 4.340 -0.000 0.000 0.275 367 Q C -1.574 174.293 176.000 -0.222 0.000 1.029 367 Q CA -0.664 54.989 55.803 -0.249 0.000 0.848 367 Q CB 2.215 30.895 28.738 -0.096 0.000 1.390 367 Q HN 0.476 nan 8.270 nan 0.000 0.401 368 F N 1.702 121.728 119.950 0.125 0.000 2.397 368 F HA 0.477 5.004 4.527 -0.000 0.000 0.331 368 F C -0.637 175.259 175.800 0.160 0.000 1.090 368 F CA -0.309 57.847 58.000 0.261 0.000 1.065 368 F CB 0.881 40.086 39.000 0.341 0.000 1.184 368 F HN 0.410 nan 8.300 nan 0.000 0.499 369 Y N 1.620 122.168 120.300 0.412 0.000 2.361 369 Y HA 0.601 5.151 4.550 -0.000 0.000 0.337 369 Y C -0.058 176.061 175.900 0.365 0.000 0.965 369 Y CA -1.199 57.104 58.100 0.338 0.000 1.091 369 Y CB 1.668 40.311 38.460 0.305 0.000 1.182 369 Y HN 0.829 nan 8.280 nan 0.000 0.450 370 C N -1.058 118.492 119.300 0.416 0.000 3.211 370 C HA 0.629 5.088 4.460 -0.000 0.000 0.350 370 C C 0.098 175.272 174.990 0.306 0.000 1.413 370 C CA -1.517 57.721 59.018 0.366 0.000 1.203 370 C CB 0.974 28.922 27.740 0.347 0.000 1.506 370 C HN 0.792 nan 8.230 nan 0.000 0.448 371 S N -0.165 115.709 115.700 0.289 0.000 2.550 371 S HA 0.178 4.648 4.470 -0.000 0.000 0.285 371 S C 1.081 175.816 174.600 0.224 0.000 1.326 371 S CA 0.423 58.760 58.200 0.227 0.000 1.037 371 S CB -0.092 63.216 63.200 0.181 0.000 0.838 371 S HN 1.014 nan 8.310 nan 0.000 0.519 372 I N 3.132 123.801 120.570 0.165 0.000 2.756 372 I HA -0.001 4.169 4.170 -0.000 0.000 0.262 372 I C 2.117 178.310 176.117 0.127 0.000 1.225 372 I CA 0.927 62.309 61.300 0.137 0.000 1.472 372 I CB -1.060 36.975 38.000 0.060 0.000 1.094 372 I HN 0.442 nan 8.210 nan 0.000 0.454 373 S N 0.684 116.469 115.700 0.141 0.000 2.355 373 S HA 0.011 4.481 4.470 -0.000 0.000 0.222 373 S C 1.077 175.811 174.600 0.224 0.000 1.031 373 S CA 0.393 58.679 58.200 0.144 0.000 0.993 373 S CB -0.655 62.611 63.200 0.110 0.000 0.859 373 S HN 0.279 nan 8.310 nan 0.000 0.453 374 V N 5.076 125.193 119.914 0.339 0.000 2.899 374 V HA -0.073 4.047 4.120 -0.000 0.000 0.293 374 V C -1.627 174.570 176.094 0.171 0.000 1.114 374 V CA 0.074 62.571 62.300 0.329 0.000 1.270 374 V CB -0.603 31.413 31.823 0.321 0.000 0.814 374 V HN 0.371 nan 8.190 nan 0.000 0.457 375 P HA 0.205 nan 4.420 nan 0.000 0.220 375 P C -0.296 176.967 177.300 -0.063 0.000 1.793 375 P CA -0.421 62.703 63.100 0.040 0.000 0.917 375 P CB 0.404 32.129 31.700 0.043 0.000 1.755 376 L N 1.147 122.308 121.223 -0.103 0.000 2.367 376 L HA 0.379 4.719 4.340 -0.000 0.000 0.275 376 L C -0.040 176.751 176.870 -0.130 0.000 1.129 376 L CA 0.851 55.536 54.840 -0.258 0.000 0.839 376 L CB 0.221 42.076 42.059 -0.340 0.000 1.133 376 L HN -0.069 nan 8.230 nan 0.000 0.453 377 D N 4.968 125.298 120.400 -0.116 0.000 2.328 377 D HA 0.312 4.952 4.640 -0.000 0.000 0.243 377 D C -1.864 174.483 176.300 0.078 0.000 1.324 377 D CA -0.304 53.725 54.000 0.048 0.000 0.966 377 D CB 0.936 41.812 40.800 0.126 0.000 1.324 377 D HN 0.400 nan 8.370 nan 0.000 0.549 378 L N 3.398 124.643 121.223 0.036 0.000 2.371 378 L HA 0.648 4.988 4.340 -0.000 0.000 0.262 378 L C -1.994 174.840 176.870 -0.059 0.000 1.006 378 L CA -0.544 54.309 54.840 0.021 0.000 0.818 378 L CB 1.835 43.784 42.059 -0.183 0.000 1.354 378 L HN 0.139 nan 8.230 nan 0.000 0.415 379 Y N 1.274 121.580 120.300 0.010 0.000 2.509 379 Y HA 0.819 5.369 4.550 -0.000 0.000 0.341 379 Y C 0.014 175.904 175.900 -0.017 0.000 1.038 379 Y CA -0.113 57.953 58.100 -0.057 0.000 1.089 379 Y CB 2.416 40.825 38.460 -0.085 0.000 1.241 379 Y HN 0.694 nan 8.280 nan 0.000 0.468 380 S N 0.370 116.143 115.700 0.121 0.000 2.547 380 S HA 0.810 5.280 4.470 -0.000 0.000 0.270 380 S C -1.198 173.431 174.600 0.049 0.000 1.150 380 S CA -0.953 57.285 58.200 0.063 0.000 0.850 380 S CB 0.959 64.144 63.200 -0.025 0.000 1.118 380 S HN 1.133 nan 8.310 nan 0.000 0.461 381 C N -0.027 119.285 119.300 0.020 0.000 3.086 381 C HA 1.065 5.525 4.460 -0.000 0.000 0.311 381 C C -0.372 174.598 174.990 -0.033 0.000 1.260 381 C CA 0.022 59.032 59.018 -0.013 0.000 1.426 381 C CB 0.633 28.366 27.740 -0.012 0.000 1.826 381 C HN 2.059 nan 8.230 nan 0.000 0.474 382 A N 1.044 123.833 122.820 -0.053 0.000 2.608 382 A HA 0.773 5.092 4.320 -0.000 0.000 0.292 382 A C -1.555 176.012 177.584 -0.028 0.000 1.066 382 A CA -0.442 51.569 52.037 -0.043 0.000 0.676 382 A CB 0.901 19.871 19.000 -0.051 0.000 1.277 382 A HN 1.714 nan 8.150 nan 0.000 0.413 383 V N 1.557 121.479 119.914 0.013 0.000 2.394 383 V HA 0.522 4.642 4.120 -0.000 0.000 0.282 383 V C -1.023 175.163 176.094 0.153 0.000 1.031 383 V CA -0.222 62.108 62.300 0.052 0.000 0.881 383 V CB 1.066 32.909 31.823 0.033 0.000 0.982 383 V HN 0.801 nan 8.190 nan 0.000 0.451 384 Y N 3.882 124.193 120.300 0.019 0.000 2.346 384 Y HA 0.615 5.165 4.550 -0.000 0.000 0.332 384 Y C 0.418 176.406 175.900 0.148 0.000 0.985 384 Y CA -0.602 57.548 58.100 0.084 0.000 1.112 384 Y CB 1.589 40.105 38.460 0.093 0.000 1.170 384 Y HN 0.922 nan 8.280 nan 0.000 0.447 385 A N 3.663 126.223 122.820 -0.435 0.000 2.847 385 A HA -0.005 4.315 4.320 -0.000 0.000 0.263 385 A C 1.524 179.053 177.584 -0.091 0.000 1.391 385 A CA 1.558 53.395 52.037 -0.333 0.000 0.866 385 A CB -2.185 16.584 19.000 -0.385 0.000 1.057 385 A HN 2.503 nan 8.150 nan 0.000 0.673 386 G N -2.535 106.247 108.800 -0.030 0.000 2.137 386 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.237 386 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.237 386 G C -0.254 174.678 174.900 0.053 0.000 1.002 386 G CA 0.839 45.945 45.100 0.011 0.000 0.702 386 G HN 1.515 nan 8.290 nan 0.000 0.515 387 Q N -1.065 118.794 119.800 0.099 0.000 2.375 387 Q HA 0.676 5.016 4.340 -0.000 0.000 0.271 387 Q C -0.817 175.246 176.000 0.105 0.000 1.074 387 Q CA -1.127 54.769 55.803 0.155 0.000 0.808 387 Q CB 2.579 31.509 28.738 0.320 0.000 1.327 387 Q HN 0.259 nan 8.270 nan 0.000 0.441 388 L N 3.298 124.563 121.223 0.070 0.000 2.265 388 L HA 0.454 4.794 4.340 -0.000 0.000 0.288 388 L C -1.264 175.560 176.870 -0.076 0.000 1.058 388 L CA 0.148 54.988 54.840 -0.000 0.000 0.809 388 L CB 0.523 42.588 42.059 0.009 0.000 1.179 388 L HN 0.529 nan 8.230 nan 0.000 0.429 389 I N 6.728 127.179 120.570 -0.198 0.000 2.354 389 I HA 0.401 4.571 4.170 -0.000 0.000 0.292 389 I C -0.253 175.752 176.117 -0.185 0.000 0.989 389 I CA -0.648 60.424 61.300 -0.379 0.000 1.188 389 I CB 1.420 39.006 38.000 -0.690 0.000 1.342 389 I HN 0.558 nan 8.210 nan 0.000 0.457 390 I N 2.543 123.044 120.570 -0.116 0.000 2.433 390 I HA 0.642 4.812 4.170 -0.000 0.000 0.292 390 I C -0.774 175.365 176.117 0.037 0.000 1.001 390 I CA -0.521 60.777 61.300 -0.003 0.000 1.119 390 I CB 1.751 39.780 38.000 0.049 0.000 1.289 390 I HN 0.549 nan 8.210 nan 0.000 0.438 391 E N 3.557 123.810 120.200 0.089 0.000 2.277 391 E HA 0.452 4.802 4.350 -0.000 0.000 0.266 391 E C -1.346 175.358 176.600 0.172 0.000 0.901 391 E CA -0.906 55.588 56.400 0.158 0.000 0.782 391 E CB 2.150 31.995 29.700 0.241 0.000 1.228 391 E HN 0.535 nan 8.360 nan 0.000 0.424 392 H N 1.793 120.906 119.070 0.071 0.000 2.991 392 H HA 0.262 4.818 4.556 -0.000 0.000 0.304 392 H C -1.272 174.088 175.328 0.053 0.000 1.040 392 H CA -0.452 55.498 56.048 -0.162 0.000 1.410 392 H CB 0.027 29.605 29.762 -0.308 0.000 1.529 392 H HN 0.560 nan 8.280 nan 0.000 0.509 393 H N 2.251 121.377 119.070 0.094 0.000 2.481 393 H HA 0.530 5.086 4.556 -0.000 0.000 0.339 393 H C 0.650 175.933 175.328 -0.074 0.000 1.131 393 H CA -0.256 55.803 56.048 0.019 0.000 1.301 393 H CB 1.735 31.566 29.762 0.115 0.000 1.476 393 H HN 0.925 nan 8.280 nan 0.000 0.529 394 G N 0.836 109.593 108.800 -0.071 0.000 2.479 394 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.686 394 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.686 394 G C -1.054 173.671 174.900 -0.293 0.000 1.295 394 G CA -1.035 43.949 45.100 -0.192 0.000 0.922 394 G HN 0.735 nan 8.290 nan 0.000 0.582 395 H N 0.182 119.217 119.070 -0.059 0.000 3.045 395 H HA 0.362 4.918 4.556 -0.000 0.000 0.254 395 H C 0.486 175.763 175.328 -0.085 0.000 1.747 395 H CA 0.160 56.169 56.048 -0.064 0.000 1.444 395 H CB -0.235 29.506 29.762 -0.034 0.000 1.778 395 H HN 0.292 nan 8.280 nan 0.000 0.544 396 I N 1.059 121.578 120.570 -0.085 0.000 2.499 396 I HA 0.148 4.318 4.170 -0.000 0.000 0.296 396 I C 0.811 176.885 176.117 -0.073 0.000 0.992 396 I CA -0.549 60.675 61.300 -0.128 0.000 1.297 396 I CB 1.260 39.041 38.000 -0.366 0.000 1.410 396 I HN 0.394 nan 8.210 nan 0.000 0.507 397 A N 6.005 128.800 122.820 -0.041 0.000 2.639 397 A HA 0.279 4.599 4.320 -0.000 0.000 0.295 397 A C -0.044 177.523 177.584 -0.029 0.000 1.443 397 A CA -0.167 51.858 52.037 -0.021 0.000 1.117 397 A CB -0.910 18.086 19.000 -0.007 0.000 1.098 397 A HN 0.702 nan 8.150 nan 0.000 0.552 398 E N 0.610 120.790 120.200 -0.033 0.000 2.442 398 E HA -0.161 4.189 4.350 -0.000 0.000 0.177 398 E C -2.158 174.416 176.600 -0.043 0.000 1.505 398 E CA 0.705 57.089 56.400 -0.027 0.000 0.662 398 E CB -1.984 27.711 29.700 -0.008 0.000 1.117 398 E HN 0.540 nan 8.360 nan 0.000 0.375 399 P HA -0.187 nan 4.420 nan 0.000 0.217 399 P C 1.597 178.887 177.300 -0.016 0.000 1.148 399 P CA 2.054 65.064 63.100 -0.150 0.000 0.834 399 P CB 0.092 31.676 31.700 -0.193 0.000 0.783 400 G N -0.272 108.534 108.800 0.011 0.000 2.462 400 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.220 400 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.220 400 G C 1.360 176.302 174.900 0.071 0.000 1.121 400 G CA 0.777 45.907 45.100 0.050 0.000 0.758 400 G HN 0.285 nan 8.290 nan 0.000 0.559 401 K N 0.999 121.435 120.400 0.060 0.000 1.971 401 K HA -0.169 4.151 4.320 -0.000 0.000 0.221 401 K C 3.081 179.746 176.600 0.107 0.000 1.050 401 K CA 2.039 58.368 56.287 0.070 0.000 0.967 401 K CB -0.490 32.042 32.500 0.054 0.000 0.733 401 K HN 0.433 nan 8.250 nan 0.000 0.445 402 S N 1.630 117.427 115.700 0.160 0.000 2.359 402 S HA -0.213 4.257 4.470 -0.000 0.000 0.223 402 S C 2.102 176.830 174.600 0.213 0.000 1.039 402 S CA 1.392 59.721 58.200 0.216 0.000 1.042 402 S CB -0.771 62.650 63.200 0.367 0.000 0.915 402 S HN 0.179 nan 8.310 nan 0.000 0.439 403 L N 2.044 123.420 121.223 0.254 0.000 2.081 403 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 403 L C 2.764 179.713 176.870 0.133 0.000 1.080 403 L CA 2.142 57.108 54.840 0.210 0.000 0.754 403 L CB -0.847 41.329 42.059 0.195 0.000 0.893 403 L HN 0.361 nan 8.230 nan 0.000 0.433 404 E N -0.575 119.691 120.200 0.110 0.000 2.051 404 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 404 E C 2.154 178.794 176.600 0.066 0.000 0.991 404 E CA 1.525 57.973 56.400 0.080 0.000 0.799 404 E CB -0.339 29.401 29.700 0.067 0.000 0.748 404 E HN 0.468 nan 8.360 nan 0.000 0.449 405 A N 0.687 123.548 122.820 0.068 0.000 1.877 405 A HA -0.146 4.173 4.320 -0.000 0.000 0.216 405 A C 2.394 180.000 177.584 0.037 0.000 1.186 405 A CA 1.633 53.700 52.037 0.050 0.000 0.620 405 A CB -0.789 18.243 19.000 0.054 0.000 0.822 405 A HN 0.350 nan 8.150 nan 0.000 0.443 406 I N -0.920 119.678 120.570 0.046 0.000 2.127 406 I HA -0.303 3.867 4.170 -0.000 0.000 0.241 406 I C 2.756 178.883 176.117 0.017 0.000 1.075 406 I CA 1.906 63.217 61.300 0.018 0.000 1.334 406 I CB -0.534 37.485 38.000 0.031 0.000 1.040 406 I HN 0.393 nan 8.210 nan 0.000 0.405 407 R N 0.917 121.442 120.500 0.041 0.000 2.096 407 R HA -0.230 4.110 4.340 -0.000 0.000 0.240 407 R C 2.519 178.832 176.300 0.022 0.000 1.139 407 R CA 2.330 58.454 56.100 0.039 0.000 0.952 407 R CB -0.448 29.889 30.300 0.062 0.000 0.854 407 R HN 0.326 nan 8.270 nan 0.000 0.436 408 S N 0.588 116.302 115.700 0.023 0.000 2.353 408 S HA -0.179 4.291 4.470 -0.000 0.000 0.222 408 S C 2.058 176.651 174.600 -0.010 0.000 1.035 408 S CA 1.439 59.645 58.200 0.010 0.000 1.025 408 S CB -0.431 62.778 63.200 0.015 0.000 0.902 408 S HN 0.379 nan 8.310 nan 0.000 0.440 409 L N 1.656 122.872 121.223 -0.012 0.000 2.043 409 L HA 0.019 4.359 4.340 -0.000 0.000 0.212 409 L C 2.099 178.931 176.870 -0.063 0.000 1.075 409 L CA 1.792 56.612 54.840 -0.033 0.000 0.752 409 L CB -0.701 41.342 42.059 -0.027 0.000 0.891 409 L HN 0.451 nan 8.230 nan 0.000 0.432 410 L N -1.810 119.383 121.223 -0.049 0.000 2.465 410 L HA -0.182 4.158 4.340 -0.000 0.000 0.224 410 L C 2.120 178.948 176.870 -0.070 0.000 1.145 410 L CA 0.461 55.264 54.840 -0.062 0.000 0.834 410 L CB -0.487 41.553 42.059 -0.032 0.000 0.944 410 L HN 0.396 nan 8.230 nan 0.000 0.451 411 C N -1.458 117.811 119.300 -0.053 0.000 2.611 411 C HA -0.003 4.457 4.460 -0.000 0.000 0.282 411 C C 2.818 177.766 174.990 -0.071 0.000 1.321 411 C CA 0.806 59.797 59.018 -0.046 0.000 1.747 411 C CB -0.296 27.436 27.740 -0.014 0.000 2.124 411 C HN 0.622 nan 8.230 nan 0.000 0.531 412 T N -1.181 113.325 114.554 -0.080 0.000 2.866 412 T HA -0.034 4.316 4.350 -0.000 0.000 0.250 412 T C 1.757 176.368 174.700 -0.149 0.000 1.033 412 T CA 1.193 63.242 62.100 -0.085 0.000 1.145 412 T CB -0.831 68.005 68.868 -0.054 0.000 0.866 412 T HN 0.152 nan 8.240 nan 0.000 0.434 413 V N 4.025 123.817 119.914 -0.203 0.000 2.252 413 V HA -0.182 3.938 4.120 -0.000 0.000 0.255 413 V C 0.112 175.801 176.094 -0.674 0.000 1.071 413 V CA 2.649 64.734 62.300 -0.358 0.000 1.050 413 V CB -1.684 29.892 31.823 -0.411 0.000 0.654 413 V HN 0.491 nan 8.190 nan 0.000 0.448 414 P HA -0.145 nan 4.420 nan 0.000 0.220 414 P C 1.278 178.415 177.300 -0.273 0.000 1.144 414 P CA 2.390 65.062 63.100 -0.712 0.000 0.800 414 P CB -0.079 31.439 31.700 -0.304 0.000 0.772 415 S N -2.910 112.687 115.700 -0.172 0.000 2.687 415 S HA 0.198 4.668 4.470 -0.000 0.000 0.247 415 S C 1.469 176.059 174.600 -0.016 0.000 1.050 415 S CA -0.418 57.755 58.200 -0.044 0.000 1.063 415 S CB -0.113 63.069 63.200 -0.030 0.000 1.039 415 S HN 0.029 nan 8.310 nan 0.000 0.580 416 E N 0.324 120.498 120.200 -0.043 0.000 2.481 416 E HA 0.215 4.565 4.350 -0.000 0.000 0.198 416 E C -0.886 175.733 176.600 0.030 0.000 1.027 416 E CA -0.422 55.970 56.400 -0.014 0.000 0.900 416 E CB 0.234 29.913 29.700 -0.036 0.000 0.993 416 E HN 0.542 nan 8.360 nan 0.000 0.482 417 Y N 1.178 121.432 120.300 -0.076 0.000 2.576 417 Y HA 0.287 4.837 4.550 -0.000 0.000 0.348 417 Y C 0.448 176.372 175.900 0.041 0.000 1.212 417 Y CA 1.147 59.247 58.100 0.000 0.000 1.683 417 Y CB -0.338 38.188 38.460 0.109 0.000 1.484 417 Y HN 0.149 nan 8.280 nan 0.000 0.477 418 G N 0.000 108.682 108.800 -0.197 0.000 5.446 418 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 418 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 418 G CA 0.000 45.006 45.100 -0.156 0.000 0.502 418 G HN 0.000 nan 8.290 nan 0.000 0.925