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 1j1z_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKIVLAYSGG LDTSIILKWL KETYRAEVIA FTADIGQGEE VEEAREKALR DATA SEQUENCE TGASKAIALD LKEEFVRDFV FPMMRAGAVY EGYYLLGTSI ARPLIAKHLV DATA SEQUENCE RIAEEEGAEA IAHGATGKGN DQVRFELTAY ALKPDIKVIA PWREWSFQGR DATA SEQUENCE KEMIAYAEAH GIPVPXXXXX PYSMDANLLH ISYEGGVLED PWAEPPKGMF DATA SEQUENCE RMTQDPEEAP DAPEYVEVEF FEGDPVAVNG ERLSPAALLQ RLNEIGGRHG DATA SEQUENCE VGRVDIVENR FVGMKSRGVY ETPGGTILYH ARRAVESLTL DREVLHQRDM DATA SEQUENCE LSPKYAELVY YGFWYAPERE ALQAYFDHVA RSVTGVARLK LYKGNVYVVG DATA SEQUENCE RKAPKSLYRQ DLVSFXXXXG YDQKDAEGFI KIQALRLRVR ALVER VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.012 0.000 1.140 1 M CA 0.000 55.316 55.300 0.027 0.000 0.988 1 M CB 0.000 32.627 32.600 0.046 0.000 1.302 2 K N 2.281 122.682 120.400 0.002 0.000 2.205 2 K HA 0.770 5.090 4.320 0.001 0.000 0.279 2 K C -1.189 175.397 176.600 -0.024 0.000 1.027 2 K CA -0.331 55.951 56.287 -0.008 0.000 0.932 2 K CB 1.480 33.977 32.500 -0.005 0.000 1.032 2 K HN 0.574 nan 8.250 nan 0.000 0.466 3 I N 2.687 123.236 120.570 -0.034 0.000 2.478 3 I HA 0.181 4.352 4.170 0.001 0.000 0.287 3 I C -0.684 175.416 176.117 -0.029 0.000 1.042 3 I CA -1.191 60.076 61.300 -0.056 0.000 1.067 3 I CB 2.079 40.014 38.000 -0.107 0.000 1.233 3 I HN 0.196 nan 8.210 nan 0.000 0.431 4 V N 6.648 126.551 119.914 -0.018 0.000 2.406 4 V HA 0.296 4.416 4.120 0.001 0.000 0.272 4 V C -0.184 175.932 176.094 0.038 0.000 1.043 4 V CA -0.485 61.824 62.300 0.016 0.000 0.915 4 V CB 1.458 33.285 31.823 0.007 0.000 0.988 4 V HN 0.418 nan 8.190 nan 0.000 0.466 5 L N 5.341 126.609 121.223 0.074 0.000 2.307 5 L HA 0.812 5.152 4.340 0.001 0.000 0.284 5 L C 0.516 177.496 176.870 0.184 0.000 1.023 5 L CA -0.226 54.667 54.840 0.089 0.000 0.810 5 L CB 1.417 43.516 42.059 0.067 0.000 1.231 5 L HN 0.687 nan 8.230 nan 0.000 0.423 6 A N 4.887 127.793 122.820 0.144 0.000 2.457 6 A HA 0.231 4.551 4.320 0.001 0.000 0.298 6 A C -1.158 176.493 177.584 0.112 0.000 1.288 6 A CA -0.068 52.063 52.037 0.157 0.000 0.956 6 A CB -0.840 18.191 19.000 0.052 0.000 1.135 6 A HN 0.657 nan 8.150 nan 0.000 0.535 7 Y N 3.515 123.793 120.300 -0.035 0.000 2.342 7 Y HA 0.349 4.899 4.550 0.001 0.000 0.338 7 Y C 1.317 177.162 175.900 -0.091 0.000 0.965 7 Y CA -0.519 57.556 58.100 -0.043 0.000 1.159 7 Y CB 1.357 39.811 38.460 -0.010 0.000 1.157 7 Y HN 0.690 nan 8.280 nan 0.000 0.486 8 S N 2.752 118.159 115.700 -0.488 0.000 2.362 8 S HA 0.219 4.690 4.470 0.001 0.000 0.221 8 S C 1.520 175.709 174.600 -0.684 0.000 1.032 8 S CA 0.813 58.735 58.200 -0.463 0.000 0.973 8 S CB -0.254 62.784 63.200 -0.271 0.000 0.849 8 S HN 1.512 nan 8.310 nan 0.000 0.465 9 G N 0.313 108.447 108.800 -1.110 0.000 2.296 9 G HA2 0.052 4.012 3.960 0.001 0.000 0.188 9 G HA3 0.052 4.012 3.960 0.001 0.000 0.188 9 G C 0.409 175.112 174.900 -0.328 0.000 1.000 9 G CA -0.094 44.507 45.100 -0.832 0.000 0.672 9 G HN 0.955 nan 8.290 nan 0.000 0.483 10 G N -0.317 108.333 108.800 -0.249 0.000 2.588 10 G HA2 0.552 4.512 3.960 0.001 0.000 0.278 10 G HA3 0.552 4.512 3.960 0.001 0.000 0.278 10 G C 1.235 176.136 174.900 0.002 0.000 1.307 10 G CA 0.222 45.271 45.100 -0.085 0.000 1.016 10 G HN 0.858 nan 8.290 nan 0.000 0.503 11 L N -0.474 120.764 121.223 0.026 0.000 1.955 11 L HA -0.071 4.269 4.340 0.001 0.000 0.213 11 L C 2.377 179.297 176.870 0.084 0.000 1.072 11 L CA 2.559 57.428 54.840 0.048 0.000 0.755 11 L CB -0.706 41.367 42.059 0.025 0.000 0.888 11 L HN 0.511 nan 8.230 nan 0.000 0.432 12 D N -0.610 119.858 120.400 0.114 0.000 2.133 12 D HA -0.226 4.414 4.640 0.001 0.000 0.192 12 D C 2.134 178.574 176.300 0.232 0.000 1.001 12 D CA 2.314 56.435 54.000 0.201 0.000 0.844 12 D CB -0.556 40.465 40.800 0.369 0.000 0.944 12 D HN 0.636 nan 8.370 nan 0.000 0.447 13 T N -2.326 112.352 114.554 0.206 0.000 2.995 13 T HA 0.015 4.366 4.350 0.001 0.000 0.269 13 T C 2.082 177.028 174.700 0.411 0.000 1.091 13 T CA 0.966 63.223 62.100 0.262 0.000 1.128 13 T CB -0.058 68.894 68.868 0.140 0.000 0.891 13 T HN -0.094 nan 8.240 nan 0.000 0.492 14 S N 1.221 117.147 115.700 0.376 0.000 2.377 14 S HA 0.195 4.665 4.470 0.001 0.000 0.223 14 S C 1.930 176.641 174.600 0.186 0.000 1.030 14 S CA 0.553 58.961 58.200 0.347 0.000 0.970 14 S CB -0.373 62.984 63.200 0.262 0.000 0.830 14 S HN 0.461 nan 8.310 nan 0.000 0.473 15 I N 1.576 122.240 120.570 0.157 0.000 2.163 15 I HA -0.213 3.957 4.170 0.001 0.000 0.243 15 I C 2.052 178.314 176.117 0.241 0.000 1.085 15 I CA 1.304 62.685 61.300 0.135 0.000 1.347 15 I CB -0.420 37.553 38.000 -0.045 0.000 1.044 15 I HN 0.251 nan 8.210 nan 0.000 0.408 16 I N 0.459 121.198 120.570 0.281 0.000 2.194 16 I HA -0.343 3.828 4.170 0.001 0.000 0.246 16 I C 2.595 178.900 176.117 0.313 0.000 1.093 16 I CA 1.470 62.980 61.300 0.351 0.000 1.355 16 I CB -0.259 37.881 38.000 0.234 0.000 1.046 16 I HN 0.296 nan 8.210 nan 0.000 0.413 17 L N 0.591 121.931 121.223 0.194 0.000 2.042 17 L HA -0.252 4.088 4.340 0.001 0.000 0.210 17 L C 2.705 179.641 176.870 0.109 0.000 1.076 17 L CA 1.645 56.535 54.840 0.082 0.000 0.749 17 L CB -0.302 41.701 42.059 -0.095 0.000 0.893 17 L HN 0.133 nan 8.230 nan 0.000 0.432 18 K N -0.708 119.767 120.400 0.125 0.000 2.002 18 K HA -0.261 4.060 4.320 0.001 0.000 0.209 18 K C 1.777 178.502 176.600 0.208 0.000 1.048 18 K CA 1.995 58.327 56.287 0.074 0.000 0.930 18 K CB -0.858 31.596 32.500 -0.077 0.000 0.714 18 K HN 0.485 nan 8.250 nan 0.000 0.438 19 W N 2.137 123.545 121.300 0.180 0.000 2.305 19 W HA -0.233 4.428 4.660 0.001 0.000 0.308 19 W C 1.787 178.424 176.519 0.196 0.000 1.226 19 W CA 1.628 59.106 57.345 0.221 0.000 1.253 19 W CB -0.313 29.295 29.460 0.247 0.000 1.146 19 W HN -0.002 nan 8.180 nan 0.000 0.507 20 L N 0.194 121.651 121.223 0.390 0.000 2.109 20 L HA -0.197 4.143 4.340 0.001 0.000 0.207 20 L C 2.684 179.601 176.870 0.078 0.000 1.086 20 L CA 1.073 56.036 54.840 0.206 0.000 0.760 20 L CB -0.824 41.331 42.059 0.160 0.000 0.910 20 L HN -0.160 nan 8.230 nan 0.000 0.437 21 K N 0.109 120.546 120.400 0.061 0.000 2.025 21 K HA -0.179 4.142 4.320 0.001 0.000 0.207 21 K C 1.932 178.535 176.600 0.005 0.000 1.049 21 K CA 1.286 57.590 56.287 0.028 0.000 0.933 21 K CB -0.087 32.424 32.500 0.018 0.000 0.714 21 K HN 0.316 nan 8.250 nan 0.000 0.438 22 E N 0.197 120.392 120.200 -0.010 0.000 2.006 22 E HA -0.124 4.226 4.350 0.001 0.000 0.192 22 E C 1.876 178.384 176.600 -0.152 0.000 0.993 22 E CA 1.813 58.188 56.400 -0.041 0.000 0.808 22 E CB 0.053 29.769 29.700 0.027 0.000 0.764 22 E HN 0.143 nan 8.360 nan 0.000 0.449 23 T N -0.229 114.113 114.554 -0.353 0.000 2.607 23 T HA -0.205 4.146 4.350 0.001 0.000 0.267 23 T C 1.503 175.964 174.700 -0.398 0.000 1.049 23 T CA 1.844 63.611 62.100 -0.556 0.000 1.162 23 T CB -0.490 67.629 68.868 -1.248 0.000 0.863 23 T HN 0.263 nan 8.240 nan 0.000 0.424 24 Y N 0.331 120.441 120.300 -0.318 0.000 2.523 24 Y HA 0.339 4.889 4.550 0.001 0.000 0.279 24 Y C 1.519 177.354 175.900 -0.109 0.000 1.139 24 Y CA -0.213 57.783 58.100 -0.174 0.000 1.296 24 Y CB -0.107 38.281 38.460 -0.121 0.000 1.045 24 Y HN 0.076 nan 8.280 nan 0.000 0.538 25 R N 0.078 120.596 120.500 0.029 0.000 3.416 25 R HA -0.196 4.145 4.340 0.001 0.000 0.263 25 R C -0.660 175.661 176.300 0.036 0.000 1.053 25 R CA 0.290 56.398 56.100 0.012 0.000 0.705 25 R CB -1.302 28.990 30.300 -0.013 0.000 1.124 25 R HN 0.294 nan 8.270 nan 0.000 0.444 26 A N 0.711 123.564 122.820 0.056 0.000 2.281 26 A HA 0.409 4.729 4.320 0.001 0.000 0.329 26 A C -0.161 177.431 177.584 0.013 0.000 1.122 26 A CA -0.445 51.615 52.037 0.038 0.000 0.850 26 A CB 0.954 19.977 19.000 0.038 0.000 1.207 26 A HN 0.437 nan 8.150 nan 0.000 0.495 27 E N 1.339 121.542 120.200 0.006 0.000 2.070 27 E HA 0.394 4.744 4.350 0.001 0.000 0.282 27 E C -1.204 175.391 176.600 -0.009 0.000 1.104 27 E CA -0.365 56.034 56.400 -0.001 0.000 0.876 27 E CB 0.389 30.088 29.700 -0.000 0.000 1.055 27 E HN 0.314 nan 8.360 nan 0.000 0.401 28 V N 6.583 126.489 119.914 -0.014 0.000 2.432 28 V HA 0.141 4.261 4.120 0.001 0.000 0.271 28 V C 0.268 176.351 176.094 -0.018 0.000 1.046 28 V CA -0.562 61.726 62.300 -0.021 0.000 0.945 28 V CB 0.838 32.643 31.823 -0.030 0.000 0.992 28 V HN 0.671 nan 8.190 nan 0.000 0.471 29 I N 4.810 125.378 120.570 -0.003 0.000 2.307 29 I HA 0.480 4.650 4.170 0.001 0.000 0.289 29 I C 0.648 176.793 176.117 0.047 0.000 1.021 29 I CA -0.280 61.031 61.300 0.018 0.000 1.224 29 I CB 1.007 39.020 38.000 0.023 0.000 1.376 29 I HN 0.658 nan 8.210 nan 0.000 0.470 30 A N 7.057 129.902 122.820 0.041 0.000 2.354 30 A HA 0.617 4.937 4.320 0.001 0.000 0.269 30 A C -0.941 176.785 177.584 0.236 0.000 1.109 30 A CA -0.182 51.906 52.037 0.085 0.000 0.800 30 A CB 0.549 19.519 19.000 -0.050 0.000 1.045 30 A HN 0.521 nan 8.150 nan 0.000 0.489 31 F N 1.703 121.719 119.950 0.110 0.000 2.579 31 F HA 0.561 5.089 4.527 0.001 0.000 0.325 31 F C -0.551 175.308 175.800 0.098 0.000 1.162 31 F CA -0.329 57.724 58.000 0.088 0.000 0.946 31 F CB 1.800 40.842 39.000 0.069 0.000 1.211 31 F HN 0.436 nan 8.300 nan 0.000 0.447 32 T N 5.569 119.852 114.554 -0.451 0.000 2.807 32 T HA 0.817 5.168 4.350 0.001 0.000 0.279 32 T C -0.640 173.589 174.700 -0.784 0.000 0.993 32 T CA -0.518 61.254 62.100 -0.547 0.000 0.970 32 T CB 1.397 70.141 68.868 -0.206 0.000 0.950 32 T HN 0.790 nan 8.240 nan 0.000 0.441 33 A N 2.309 124.662 122.820 -0.778 0.000 2.330 33 A HA 0.634 4.954 4.320 0.001 0.000 0.327 33 A C -0.546 176.844 177.584 -0.324 0.000 1.155 33 A CA -0.728 50.980 52.037 -0.550 0.000 0.803 33 A CB 0.787 19.474 19.000 -0.522 0.000 1.208 33 A HN 0.706 nan 8.150 nan 0.000 0.477 34 D N 2.518 122.786 120.400 -0.220 0.000 2.347 34 D HA 0.375 5.015 4.640 0.001 0.000 0.235 34 D C 0.268 176.464 176.300 -0.174 0.000 1.149 34 D CA -0.204 53.696 54.000 -0.166 0.000 0.850 34 D CB 0.468 41.208 40.800 -0.101 0.000 1.061 34 D HN 0.479 nan 8.370 nan 0.000 0.487 35 I N 0.724 121.163 120.570 -0.219 0.000 3.491 35 I HA 0.495 4.665 4.170 0.001 0.000 0.332 35 I C 0.847 176.870 176.117 -0.158 0.000 1.565 35 I CA -0.705 60.426 61.300 -0.280 0.000 1.050 35 I CB 0.450 38.068 38.000 -0.636 0.000 1.348 35 I HN 0.447 nan 8.210 nan 0.000 0.506 36 G N 2.163 110.915 108.800 -0.080 0.000 2.142 36 G HA2 -0.272 3.688 3.960 0.001 0.000 0.225 36 G HA3 -0.272 3.688 3.960 0.001 0.000 0.225 36 G C 0.366 175.249 174.900 -0.030 0.000 1.015 36 G CA 0.458 45.546 45.100 -0.021 0.000 0.716 36 G HN 0.564 nan 8.290 nan 0.000 0.508 37 Q N -0.191 119.567 119.800 -0.071 0.000 2.488 37 Q HA 0.396 4.736 4.340 0.001 0.000 0.211 37 Q C 1.875 177.850 176.000 -0.041 0.000 0.967 37 Q CA 1.271 57.034 55.803 -0.066 0.000 0.926 37 Q CB 0.058 28.736 28.738 -0.101 0.000 0.992 37 Q HN 1.861 nan 8.270 nan 0.000 0.506 38 G N 0.500 109.282 108.800 -0.030 0.000 2.326 38 G HA2 -0.247 3.714 3.960 0.001 0.000 0.286 38 G HA3 -0.247 3.714 3.960 0.001 0.000 0.286 38 G C -0.770 174.115 174.900 -0.025 0.000 1.096 38 G CA 0.122 45.212 45.100 -0.016 0.000 1.003 38 G HN 0.306 nan 8.290 nan 0.000 0.503 39 E N -1.076 119.102 120.200 -0.038 0.000 2.390 39 E HA 0.363 4.714 4.350 0.001 0.000 0.280 39 E C -0.824 175.750 176.600 -0.042 0.000 0.992 39 E CA -1.147 55.228 56.400 -0.041 0.000 0.790 39 E CB 1.310 30.974 29.700 -0.060 0.000 1.248 39 E HN 0.120 nan 8.360 nan 0.000 0.447 40 E N 1.732 121.912 120.200 -0.033 0.000 1.944 40 E HA 0.047 4.397 4.350 0.001 0.000 0.272 40 E C 0.784 177.363 176.600 -0.035 0.000 1.195 40 E CA -0.130 56.254 56.400 -0.026 0.000 0.926 40 E CB 0.430 30.122 29.700 -0.014 0.000 1.051 40 E HN 0.497 nan 8.360 nan 0.000 0.404 41 V N 1.937 121.822 119.914 -0.048 0.000 2.828 41 V HA -0.184 3.937 4.120 0.001 0.000 0.260 41 V C 1.749 177.829 176.094 -0.025 0.000 1.101 41 V CA 1.839 64.102 62.300 -0.060 0.000 1.123 41 V CB -0.473 31.299 31.823 -0.086 0.000 0.704 41 V HN 0.500 nan 8.190 nan 0.000 0.493 42 E N 1.046 121.239 120.200 -0.011 0.000 2.208 42 E HA -0.121 4.229 4.350 0.001 0.000 0.193 42 E C 2.128 178.738 176.600 0.017 0.000 0.988 42 E CA 1.480 57.884 56.400 0.008 0.000 0.828 42 E CB -0.203 29.502 29.700 0.008 0.000 0.763 42 E HN 0.808 nan 8.360 nan 0.000 0.478 43 E N -0.104 120.101 120.200 0.009 0.000 2.028 43 E HA -0.120 4.230 4.350 0.001 0.000 0.190 43 E C 2.145 178.768 176.600 0.038 0.000 0.984 43 E CA 0.822 57.233 56.400 0.017 0.000 0.800 43 E CB -0.283 29.420 29.700 0.004 0.000 0.758 43 E HN 0.309 nan 8.360 nan 0.000 0.448 44 A N 2.166 124.997 122.820 0.019 0.000 1.927 44 A HA -0.286 4.035 4.320 0.001 0.000 0.220 44 A C 2.176 179.869 177.584 0.182 0.000 1.185 44 A CA 1.981 54.045 52.037 0.044 0.000 0.639 44 A CB -0.695 18.252 19.000 -0.089 0.000 0.820 44 A HN 0.127 nan 8.150 nan 0.000 0.451 45 R N -0.194 120.373 120.500 0.112 0.000 2.091 45 R HA -0.189 4.151 4.340 0.001 0.000 0.238 45 R C 2.013 178.369 176.300 0.094 0.000 1.136 45 R CA 1.954 58.125 56.100 0.118 0.000 0.959 45 R CB -0.283 30.057 30.300 0.067 0.000 0.856 45 R HN 0.722 nan 8.270 nan 0.000 0.437 46 E N 0.013 120.256 120.200 0.071 0.000 2.107 46 E HA -0.176 4.175 4.350 0.001 0.000 0.191 46 E C 1.842 178.477 176.600 0.058 0.000 0.982 46 E CA 0.881 57.311 56.400 0.050 0.000 0.809 46 E CB 0.002 29.724 29.700 0.036 0.000 0.756 46 E HN 0.271 nan 8.360 nan 0.000 0.459 47 K N 0.842 121.299 120.400 0.096 0.000 2.362 47 K HA -0.069 4.252 4.320 0.001 0.000 0.200 47 K C 1.831 178.491 176.600 0.099 0.000 1.046 47 K CA 0.834 57.188 56.287 0.112 0.000 0.952 47 K CB 0.072 32.663 32.500 0.153 0.000 0.753 47 K HN 0.073 nan 8.250 nan 0.000 0.466 48 A N 1.173 124.038 122.820 0.076 0.000 1.850 48 A HA -0.019 4.302 4.320 0.001 0.000 0.212 48 A C 1.999 179.505 177.584 -0.129 0.000 1.208 48 A CA 0.652 52.574 52.037 -0.192 0.000 0.609 48 A CB -0.613 18.239 19.000 -0.247 0.000 0.860 48 A HN 0.271 nan 8.150 nan 0.000 0.448 49 L N -0.663 120.530 121.223 -0.051 0.000 2.081 49 L HA -0.246 4.094 4.340 0.001 0.000 0.212 49 L C 2.813 179.666 176.870 -0.027 0.000 1.080 49 L CA 1.867 56.687 54.840 -0.033 0.000 0.754 49 L CB -0.412 41.644 42.059 -0.006 0.000 0.893 49 L HN 0.489 nan 8.230 nan 0.000 0.433 50 R N -0.249 120.243 120.500 -0.013 0.000 2.096 50 R HA -0.176 4.164 4.340 0.001 0.000 0.229 50 R C 2.136 178.427 176.300 -0.014 0.000 1.134 50 R CA 2.285 58.382 56.100 -0.004 0.000 0.917 50 R CB -0.547 29.760 30.300 0.013 0.000 0.832 50 R HN 0.184 nan 8.270 nan 0.000 0.430 51 T N -1.117 113.424 114.554 -0.022 0.000 2.882 51 T HA -0.125 4.225 4.350 0.001 0.000 0.268 51 T C 1.095 175.768 174.700 -0.044 0.000 1.104 51 T CA 1.471 63.553 62.100 -0.030 0.000 1.118 51 T CB -0.219 68.620 68.868 -0.048 0.000 0.831 51 T HN 0.740 nan 8.240 nan 0.000 0.529 52 G N -0.185 108.582 108.800 -0.054 0.000 2.321 52 G HA2 0.172 4.132 3.960 0.001 0.000 0.174 52 G HA3 0.172 4.132 3.960 0.001 0.000 0.174 52 G C 0.080 174.948 174.900 -0.054 0.000 1.008 52 G CA -0.241 44.833 45.100 -0.043 0.000 0.739 52 G HN 0.776 nan 8.290 nan 0.000 0.502 53 A N 1.040 123.810 122.820 -0.083 0.000 2.450 53 A HA 0.642 4.962 4.320 0.001 0.000 0.255 53 A C 1.688 179.249 177.584 -0.039 0.000 1.096 53 A CA 1.102 53.092 52.037 -0.078 0.000 0.778 53 A CB 0.490 19.420 19.000 -0.117 0.000 1.031 53 A HN 1.584 nan 8.150 nan 0.000 0.494 54 S N 1.292 116.976 115.700 -0.026 0.000 2.561 54 S HA 0.113 4.583 4.470 0.001 0.000 0.225 54 S C 0.491 175.087 174.600 -0.006 0.000 0.977 54 S CA 0.958 59.150 58.200 -0.012 0.000 0.926 54 S CB -0.212 62.983 63.200 -0.008 0.000 0.769 54 S HN 0.801 nan 8.310 nan 0.000 0.533 55 K N -0.722 119.674 120.400 -0.007 0.000 2.639 55 K HA 0.553 4.874 4.320 0.001 0.000 0.279 55 K C -2.341 174.268 176.600 0.016 0.000 0.976 55 K CA -0.264 56.028 56.287 0.009 0.000 0.861 55 K CB 1.441 33.951 32.500 0.016 0.000 1.436 55 K HN 0.156 nan 8.250 nan 0.000 0.400 56 A N 3.901 126.742 122.820 0.036 0.000 2.408 56 A HA 0.707 5.027 4.320 0.001 0.000 0.295 56 A C -1.306 176.335 177.584 0.096 0.000 1.040 56 A CA -0.705 51.370 52.037 0.063 0.000 0.707 56 A CB 0.712 19.740 19.000 0.047 0.000 1.235 56 A HN 0.538 nan 8.150 nan 0.000 0.418 57 I N 1.731 122.395 120.570 0.157 0.000 2.465 57 I HA 0.659 4.829 4.170 0.001 0.000 0.291 57 I C 0.288 176.538 176.117 0.222 0.000 1.014 57 I CA -0.556 60.861 61.300 0.195 0.000 1.093 57 I CB 2.163 40.307 38.000 0.240 0.000 1.267 57 I HN 0.749 nan 8.210 nan 0.000 0.431 58 A N 7.733 130.639 122.820 0.142 0.000 2.356 58 A HA 0.928 5.248 4.320 0.001 0.000 0.310 58 A C -1.074 176.560 177.584 0.084 0.000 1.075 58 A CA -0.461 51.615 52.037 0.064 0.000 0.746 58 A CB 1.244 20.256 19.000 0.019 0.000 1.221 58 A HN 0.673 nan 8.150 nan 0.000 0.443 59 L N 1.404 122.662 121.223 0.058 0.000 2.431 59 L HA 0.419 4.759 4.340 0.001 0.000 0.266 59 L C -1.098 175.758 176.870 -0.023 0.000 0.978 59 L CA -0.975 53.897 54.840 0.055 0.000 0.822 59 L CB 2.317 44.449 42.059 0.121 0.000 1.310 59 L HN 0.714 nan 8.230 nan 0.000 0.409 60 D N 3.067 123.460 120.400 -0.012 0.000 2.393 60 D HA 0.284 4.924 4.640 0.001 0.000 0.232 60 D C 0.191 176.476 176.300 -0.024 0.000 1.192 60 D CA 0.067 54.052 54.000 -0.024 0.000 0.882 60 D CB 0.904 41.702 40.800 -0.003 0.000 1.038 60 D HN 0.437 nan 8.370 nan 0.000 0.499 61 L N 3.555 124.745 121.223 -0.056 0.000 2.857 61 L HA 0.195 4.535 4.340 0.001 0.000 0.249 61 L C 2.046 178.929 176.870 0.023 0.000 1.172 61 L CA -0.324 54.494 54.840 -0.038 0.000 0.980 61 L CB 0.179 42.161 42.059 -0.127 0.000 1.299 61 L HN 0.218 nan 8.230 nan 0.000 0.535 62 K N 0.523 120.937 120.400 0.023 0.000 2.044 62 K HA -0.184 4.136 4.320 0.001 0.000 0.210 62 K C 1.675 178.330 176.600 0.093 0.000 1.049 62 K CA 1.332 57.666 56.287 0.079 0.000 0.927 62 K CB 0.072 32.599 32.500 0.045 0.000 0.713 62 K HN 0.269 nan 8.250 nan 0.000 0.443 63 E N 0.809 121.040 120.200 0.052 0.000 2.072 63 E HA -0.196 4.154 4.350 0.001 0.000 0.191 63 E C 2.007 178.638 176.600 0.052 0.000 0.985 63 E CA 0.944 57.357 56.400 0.022 0.000 0.801 63 E CB -0.045 29.671 29.700 0.026 0.000 0.750 63 E HN 0.398 nan 8.360 nan 0.000 0.452 64 E N 0.018 120.294 120.200 0.126 0.000 2.077 64 E HA -0.191 4.159 4.350 0.001 0.000 0.193 64 E C 1.991 178.781 176.600 0.316 0.000 0.989 64 E CA 0.670 57.203 56.400 0.221 0.000 0.800 64 E CB -0.183 29.686 29.700 0.282 0.000 0.746 64 E HN 0.101 nan 8.360 nan 0.000 0.452 65 F N 1.169 121.146 119.950 0.045 0.000 2.065 65 F HA -0.242 4.286 4.527 0.001 0.000 0.298 65 F C 2.021 177.822 175.800 0.002 0.000 1.112 65 F CA 1.582 59.563 58.000 -0.032 0.000 1.212 65 F CB -0.746 38.164 39.000 -0.149 0.000 0.975 65 F HN -0.099 nan 8.300 nan 0.000 0.476 66 V N 1.113 120.841 119.914 -0.310 0.000 2.323 66 V HA -0.225 3.895 4.120 0.001 0.000 0.244 66 V C 2.612 178.293 176.094 -0.689 0.000 1.041 66 V CA 2.151 64.062 62.300 -0.648 0.000 1.025 66 V CB -0.881 30.562 31.823 -0.633 0.000 0.656 66 V HN 0.346 nan 8.190 nan 0.000 0.451 67 R N 0.261 120.512 120.500 -0.415 0.000 2.066 67 R HA -0.160 4.180 4.340 0.001 0.000 0.232 67 R C 1.646 177.941 176.300 -0.009 0.000 1.131 67 R CA 2.090 58.053 56.100 -0.229 0.000 0.955 67 R CB -0.194 30.069 30.300 -0.061 0.000 0.851 67 R HN 0.452 nan 8.270 nan 0.000 0.432 68 D N -1.363 119.082 120.400 0.074 0.000 2.367 68 D HA 0.053 4.693 4.640 0.001 0.000 0.207 68 D C 0.590 176.743 176.300 -0.244 0.000 1.034 68 D CA 0.627 54.630 54.000 0.006 0.000 0.861 68 D CB 0.390 41.224 40.800 0.057 0.000 0.943 68 D HN 0.210 nan 8.370 nan 0.000 0.515 69 F N -0.953 118.958 119.950 -0.066 0.000 2.347 69 F HA 0.092 4.619 4.527 0.001 0.000 0.266 69 F C 2.159 177.781 175.800 -0.296 0.000 0.884 69 F CA -0.055 57.798 58.000 -0.245 0.000 1.123 69 F CB -0.492 38.298 39.000 -0.351 0.000 1.098 69 F HN -0.265 nan 8.300 nan 0.000 0.803 70 V N 0.620 120.381 119.914 -0.255 0.000 2.295 70 V HA -0.258 3.863 4.120 0.001 0.000 0.246 70 V C 2.276 178.418 176.094 0.080 0.000 1.049 70 V CA 1.708 63.856 62.300 -0.254 0.000 1.024 70 V CB -0.609 30.913 31.823 -0.502 0.000 0.648 70 V HN 0.158 nan 8.190 nan 0.000 0.447 71 F N 0.172 120.069 119.950 -0.088 0.000 2.075 71 F HA -0.032 4.495 4.527 0.001 0.000 0.297 71 F C 0.236 176.042 175.800 0.010 0.000 1.113 71 F CA 1.025 59.008 58.000 -0.027 0.000 1.218 71 F CB -2.618 36.377 39.000 -0.009 0.000 0.984 71 F HN 0.274 nan 8.300 nan 0.000 0.472 72 P HA -0.216 nan 4.420 nan 0.000 0.215 72 P C 2.184 179.607 177.300 0.205 0.000 1.153 72 P CA 1.675 64.909 63.100 0.223 0.000 0.853 72 P CB -0.213 31.673 31.700 0.310 0.000 0.788 73 M N -1.668 118.103 119.600 0.286 0.000 2.117 73 M HA -0.154 4.326 4.480 0.001 0.000 0.262 73 M C 1.906 178.202 176.300 -0.007 0.000 1.065 73 M CA 2.015 57.476 55.300 0.269 0.000 1.114 73 M CB -0.430 32.310 32.600 0.233 0.000 1.361 73 M HN -0.147 nan 8.290 nan 0.000 0.408 74 M N -0.795 118.810 119.600 0.009 0.000 2.229 74 M HA -0.168 4.312 4.480 0.001 0.000 0.264 74 M C 2.146 178.353 176.300 -0.155 0.000 1.063 74 M CA 1.450 56.721 55.300 -0.049 0.000 1.114 74 M CB -0.422 32.193 32.600 0.025 0.000 1.387 74 M HN 0.249 nan 8.290 nan 0.000 0.420 75 R N 0.342 120.758 120.500 -0.140 0.000 2.127 75 R HA -0.088 4.252 4.340 0.001 0.000 0.238 75 R C 1.972 178.065 176.300 -0.344 0.000 1.134 75 R CA 1.535 57.523 56.100 -0.188 0.000 0.975 75 R CB -0.212 30.028 30.300 -0.100 0.000 0.865 75 R HN 0.379 nan 8.270 nan 0.000 0.447 76 A N -0.776 121.690 122.820 -0.591 0.000 2.218 76 A HA 0.224 4.544 4.320 0.001 0.000 0.209 76 A C 1.280 178.322 177.584 -0.904 0.000 1.168 76 A CA 0.626 51.909 52.037 -1.257 0.000 0.804 76 A CB -0.095 17.579 19.000 -2.210 0.000 0.834 76 A HN 0.426 nan 8.150 nan 0.000 0.482 77 G N -1.089 107.419 108.800 -0.485 0.000 2.198 77 G HA2 0.049 4.010 3.960 0.001 0.000 0.260 77 G HA3 0.049 4.010 3.960 0.001 0.000 0.260 77 G C 0.405 175.213 174.900 -0.152 0.000 1.025 77 G CA 0.381 45.306 45.100 -0.292 0.000 0.769 77 G HN 1.627 nan 8.290 nan 0.000 0.507 78 A N -0.525 122.188 122.820 -0.178 0.000 2.522 78 A HA 0.554 4.874 4.320 0.001 0.000 0.256 78 A C 0.429 178.026 177.584 0.021 0.000 1.086 78 A CA 0.853 52.880 52.037 -0.017 0.000 0.763 78 A CB 0.575 19.665 19.000 0.150 0.000 1.024 78 A HN 1.372 nan 8.150 nan 0.000 0.502 79 V N 3.919 123.848 119.914 0.025 0.000 2.612 79 V HA 0.203 4.323 4.120 0.001 0.000 0.301 79 V C -1.024 175.088 176.094 0.029 0.000 1.059 79 V CA -0.549 61.740 62.300 -0.019 0.000 0.886 79 V CB 1.442 33.214 31.823 -0.085 0.000 1.007 79 V HN 0.784 nan 8.190 nan 0.000 0.426 80 Y N 3.761 124.002 120.300 -0.099 0.000 2.350 80 Y HA 0.370 4.920 4.550 0.001 0.000 0.340 80 Y C 1.130 176.989 175.900 -0.068 0.000 1.006 80 Y CA -0.446 57.592 58.100 -0.104 0.000 1.166 80 Y CB 0.543 38.926 38.460 -0.127 0.000 1.168 80 Y HN 0.892 nan 8.280 nan 0.000 0.502 81 E N 4.113 123.965 120.200 -0.580 0.000 2.269 81 E HA -0.308 4.042 4.350 0.001 0.000 0.223 81 E C 1.155 177.642 176.600 -0.188 0.000 1.244 81 E CA 0.668 56.801 56.400 -0.445 0.000 0.713 81 E CB -1.553 27.794 29.700 -0.587 0.000 1.178 81 E HN 1.209 nan 8.360 nan 0.000 0.370 82 G N -1.396 107.262 108.800 -0.238 0.000 2.328 82 G HA2 -0.416 3.545 3.960 0.001 0.000 0.256 82 G HA3 -0.416 3.545 3.960 0.001 0.000 0.256 82 G C 0.537 175.045 174.900 -0.654 0.000 1.014 82 G CA 1.017 45.849 45.100 -0.445 0.000 0.620 82 G HN 0.438 nan 8.290 nan 0.000 0.530 83 Y N -2.400 117.870 120.300 -0.051 0.000 2.619 83 Y HA 0.394 4.945 4.550 0.000 0.000 0.273 83 Y C 0.897 176.812 175.900 0.025 0.000 1.175 83 Y CA -0.471 57.613 58.100 -0.027 0.000 1.157 83 Y CB 0.134 38.608 38.460 0.023 0.000 1.329 83 Y HN 0.167 nan 8.280 nan 0.000 0.503 84 Y N 3.180 123.511 120.300 0.052 0.000 2.677 84 Y HA 0.111 4.661 4.550 0.001 0.000 0.335 84 Y C 0.616 176.469 175.900 -0.078 0.000 1.162 84 Y CA -0.633 57.415 58.100 -0.087 0.000 1.483 84 Y CB 0.320 38.720 38.460 -0.100 0.000 1.209 84 Y HN 0.146 nan 8.280 nan 0.000 0.528 85 L N 7.339 128.397 121.223 -0.275 0.000 2.627 85 L HA 0.039 4.379 4.340 0.001 0.000 0.232 85 L C 0.631 177.128 176.870 -0.622 0.000 1.150 85 L CA 0.093 54.726 54.840 -0.345 0.000 0.917 85 L CB -0.408 41.559 42.059 -0.153 0.000 1.104 85 L HN 0.803 nan 8.230 nan 0.000 0.445 86 L N -0.721 119.638 121.223 -1.439 0.000 3.865 86 L HA -0.268 4.073 4.340 0.001 0.000 0.408 86 L C 1.759 178.196 176.870 -0.722 0.000 1.209 86 L CA 0.094 54.192 54.840 -1.237 0.000 0.940 86 L CB -2.133 39.601 42.059 -0.541 0.000 1.971 86 L HN 0.421 nan 8.230 nan 0.000 0.899 87 G N -0.478 107.826 108.800 -0.827 0.000 2.491 87 G HA2 -0.276 3.684 3.960 0.001 0.000 0.218 87 G HA3 -0.276 3.684 3.960 0.001 0.000 0.218 87 G C 1.252 175.822 174.900 -0.551 0.000 1.180 87 G CA 1.639 46.090 45.100 -1.083 0.000 0.774 87 G HN 0.428 nan 8.290 nan 0.000 0.562 88 T N 1.037 115.495 114.554 -0.160 0.000 2.851 88 T HA -0.030 4.320 4.350 0.001 0.000 0.262 88 T C 2.876 177.542 174.700 -0.056 0.000 1.043 88 T CA 1.288 63.439 62.100 0.085 0.000 1.140 88 T CB -0.283 68.742 68.868 0.262 0.000 0.872 88 T HN 0.277 nan 8.240 nan 0.000 0.446 89 S N 2.378 118.043 115.700 -0.059 0.000 2.369 89 S HA -0.173 4.298 4.470 0.001 0.000 0.225 89 S C 1.964 176.441 174.600 -0.206 0.000 1.043 89 S CA 1.783 59.897 58.200 -0.144 0.000 1.074 89 S CB -0.568 62.553 63.200 -0.132 0.000 0.962 89 S HN 0.619 nan 8.310 nan 0.000 0.433 90 I N 1.058 121.500 120.570 -0.212 0.000 3.176 90 I HA 0.214 4.384 4.170 0.001 0.000 0.275 90 I C 1.939 177.959 176.117 -0.162 0.000 1.298 90 I CA 0.250 61.385 61.300 -0.274 0.000 1.445 90 I CB -1.002 36.828 38.000 -0.284 0.000 1.075 90 I HN 0.177 nan 8.210 nan 0.000 0.482 91 A N 1.267 124.012 122.820 -0.124 0.000 1.878 91 A HA 0.028 4.349 4.320 0.001 0.000 0.213 91 A C 2.304 179.626 177.584 -0.436 0.000 1.192 91 A CA 0.445 52.299 52.037 -0.306 0.000 0.619 91 A CB -0.266 18.479 19.000 -0.426 0.000 0.837 91 A HN 0.198 nan 8.150 nan 0.000 0.446 92 R N 0.169 120.417 120.500 -0.420 0.000 2.119 92 R HA -0.136 4.204 4.340 0.001 0.000 0.246 92 R C -0.535 175.458 176.300 -0.513 0.000 1.146 92 R CA 1.882 57.605 56.100 -0.628 0.000 0.962 92 R CB -2.488 27.339 30.300 -0.788 0.000 0.863 92 R HN 0.388 nan 8.270 nan 0.000 0.442 93 P HA -0.132 nan 4.420 nan 0.000 0.215 93 P C 1.578 178.910 177.300 0.052 0.000 1.153 93 P CA 0.733 63.825 63.100 -0.013 0.000 0.853 93 P CB -0.098 31.624 31.700 0.037 0.000 0.788 94 L N -0.558 120.422 121.223 -0.405 0.000 1.989 94 L HA -0.158 4.182 4.340 0.001 0.000 0.211 94 L C 2.186 179.065 176.870 0.015 0.000 1.071 94 L CA 1.861 56.417 54.840 -0.473 0.000 0.749 94 L CB -1.285 40.209 42.059 -0.942 0.000 0.890 94 L HN -0.125 nan 8.230 nan 0.000 0.431 95 I N -0.248 120.298 120.570 -0.040 0.000 2.179 95 I HA -0.297 3.873 4.170 0.001 0.000 0.242 95 I C 2.589 178.908 176.117 0.337 0.000 1.088 95 I CA 1.290 62.719 61.300 0.216 0.000 1.357 95 I CB -0.751 37.355 38.000 0.176 0.000 1.051 95 I HN 0.381 nan 8.210 nan 0.000 0.409 96 A N 0.612 123.558 122.820 0.211 0.000 1.972 96 A HA -0.247 4.074 4.320 0.001 0.000 0.219 96 A C 2.393 180.062 177.584 0.141 0.000 1.169 96 A CA 1.752 53.935 52.037 0.243 0.000 0.635 96 A CB -0.522 18.577 19.000 0.165 0.000 0.810 96 A HN 0.385 nan 8.150 nan 0.000 0.446 97 K N -1.024 119.457 120.400 0.135 0.000 2.009 97 K HA -0.246 4.074 4.320 0.001 0.000 0.210 97 K C 1.878 178.428 176.600 -0.082 0.000 1.049 97 K CA 1.986 58.286 56.287 0.021 0.000 0.929 97 K CB -0.322 32.252 32.500 0.123 0.000 0.714 97 K HN 0.619 nan 8.250 nan 0.000 0.440 98 H N 0.391 119.455 119.070 -0.010 0.000 2.389 98 H HA -0.015 4.542 4.556 0.001 0.000 0.299 98 H C 1.946 177.065 175.328 -0.348 0.000 1.081 98 H CA 1.351 57.278 56.048 -0.202 0.000 1.345 98 H CB 0.018 29.611 29.762 -0.282 0.000 1.393 98 H HN 0.106 nan 8.280 nan 0.000 0.520 99 L N -0.198 120.986 121.223 -0.066 0.000 2.013 99 L HA -0.224 4.116 4.340 0.001 0.000 0.212 99 L C 2.017 178.847 176.870 -0.066 0.000 1.073 99 L CA 1.150 55.968 54.840 -0.037 0.000 0.753 99 L CB -0.221 41.933 42.059 0.157 0.000 0.890 99 L HN 0.205 nan 8.230 nan 0.000 0.432 100 V N -0.585 119.300 119.914 -0.048 0.000 2.427 100 V HA -0.263 3.857 4.120 0.001 0.000 0.248 100 V C 2.561 178.603 176.094 -0.087 0.000 1.051 100 V CA 1.797 64.060 62.300 -0.061 0.000 1.048 100 V CB -0.682 31.105 31.823 -0.061 0.000 0.666 100 V HN 0.466 nan 8.190 nan 0.000 0.456 101 R N 0.151 120.575 120.500 -0.127 0.000 2.066 101 R HA -0.100 4.241 4.340 0.001 0.000 0.232 101 R C 2.306 178.540 176.300 -0.110 0.000 1.131 101 R CA 1.711 57.735 56.100 -0.128 0.000 0.955 101 R CB -0.286 29.905 30.300 -0.181 0.000 0.851 101 R HN 0.435 nan 8.270 nan 0.000 0.432 102 I N 0.977 121.457 120.570 -0.149 0.000 2.208 102 I HA -0.264 3.906 4.170 0.001 0.000 0.245 102 I C 2.579 178.649 176.117 -0.078 0.000 1.097 102 I CA 1.382 62.602 61.300 -0.133 0.000 1.363 102 I CB -0.422 37.443 38.000 -0.225 0.000 1.051 102 I HN 0.323 nan 8.210 nan 0.000 0.413 103 A N 0.390 123.167 122.820 -0.070 0.000 1.933 103 A HA -0.219 4.102 4.320 0.001 0.000 0.218 103 A C 2.194 179.758 177.584 -0.034 0.000 1.175 103 A CA 1.653 53.665 52.037 -0.042 0.000 0.628 103 A CB -0.524 18.455 19.000 -0.035 0.000 0.814 103 A HN 0.476 nan 8.150 nan 0.000 0.444 104 E N -0.405 119.771 120.200 -0.040 0.000 2.072 104 E HA -0.181 4.170 4.350 0.001 0.000 0.191 104 E C 2.005 178.590 176.600 -0.025 0.000 0.985 104 E CA 1.252 57.634 56.400 -0.030 0.000 0.801 104 E CB -0.174 29.506 29.700 -0.034 0.000 0.750 104 E HN 0.741 nan 8.360 nan 0.000 0.452 105 E N 0.733 120.914 120.200 -0.032 0.000 2.047 105 E HA -0.139 4.211 4.350 0.001 0.000 0.191 105 E C 1.586 178.176 176.600 -0.016 0.000 0.987 105 E CA 0.728 57.114 56.400 -0.023 0.000 0.799 105 E CB 0.144 29.827 29.700 -0.028 0.000 0.752 105 E HN 0.126 nan 8.360 nan 0.000 0.449 106 E N -0.209 119.980 120.200 -0.019 0.000 2.494 106 E HA 0.017 4.367 4.350 0.001 0.000 0.193 106 E C 0.843 177.438 176.600 -0.009 0.000 1.074 106 E CA 0.509 56.902 56.400 -0.012 0.000 0.867 106 E CB 0.284 29.976 29.700 -0.012 0.000 0.924 106 E HN 0.378 nan 8.360 nan 0.000 0.502 107 G N 1.608 110.402 108.800 -0.010 0.000 2.321 107 G HA2 -0.321 3.639 3.960 0.001 0.000 0.287 107 G HA3 -0.321 3.639 3.960 0.001 0.000 0.287 107 G C 0.524 175.422 174.900 -0.005 0.000 1.018 107 G CA 0.489 45.586 45.100 -0.006 0.000 0.855 107 G HN 0.508 nan 8.290 nan 0.000 0.507 108 A N -1.067 121.748 122.820 -0.009 0.000 2.313 108 A HA 0.738 5.058 4.320 0.001 0.000 0.261 108 A C 1.096 178.677 177.584 -0.006 0.000 1.090 108 A CA 0.806 52.838 52.037 -0.009 0.000 0.807 108 A CB 0.638 19.629 19.000 -0.015 0.000 1.055 108 A HN 0.525 nan 8.150 nan 0.000 0.492 109 E N -0.431 119.767 120.200 -0.004 0.000 2.290 109 E HA 0.363 4.713 4.350 0.001 0.000 0.197 109 E C 0.588 177.187 176.600 -0.001 0.000 0.948 109 E CA 0.676 57.079 56.400 0.005 0.000 0.895 109 E CB 0.307 30.017 29.700 0.016 0.000 0.865 109 E HN 0.820 nan 8.360 nan 0.000 0.486 110 A N 0.814 123.622 122.820 -0.021 0.000 2.387 110 A HA 0.716 5.036 4.320 0.001 0.000 0.303 110 A C -0.655 176.897 177.584 -0.052 0.000 1.145 110 A CA -0.861 51.153 52.037 -0.039 0.000 0.801 110 A CB 0.918 19.876 19.000 -0.070 0.000 1.342 110 A HN 0.307 nan 8.150 nan 0.000 0.440 111 I N -3.110 117.424 120.570 -0.060 0.000 2.934 111 I HA 0.930 5.100 4.170 0.001 0.000 0.306 111 I C -0.397 175.668 176.117 -0.088 0.000 1.110 111 I CA -1.073 60.198 61.300 -0.049 0.000 1.019 111 I CB 2.249 40.238 38.000 -0.019 0.000 1.227 111 I HN 0.885 nan 8.210 nan 0.000 0.434 112 A N 2.355 125.123 122.820 -0.088 0.000 2.498 112 A HA 0.935 5.255 4.320 0.001 0.000 0.298 112 A C -1.389 176.092 177.584 -0.172 0.000 1.075 112 A CA -0.475 51.455 52.037 -0.179 0.000 0.714 112 A CB 1.352 20.257 19.000 -0.158 0.000 1.299 112 A HN 1.122 nan 8.150 nan 0.000 0.407 113 H N -1.870 117.055 119.070 -0.242 0.000 2.985 113 H HA 0.703 5.260 4.556 0.001 0.000 0.360 113 H C 0.162 175.324 175.328 -0.277 0.000 1.221 113 H CA -0.379 55.414 56.048 -0.424 0.000 1.121 113 H CB 1.469 30.675 29.762 -0.926 0.000 1.854 113 H HN 0.744 nan 8.280 nan 0.000 0.551 114 G N -0.094 108.692 108.800 -0.023 0.000 3.707 114 G HA2 0.495 4.455 3.960 0.001 0.000 0.286 114 G HA3 0.495 4.455 3.960 0.001 0.000 0.286 114 G C 0.043 175.006 174.900 0.104 0.000 1.112 114 G CA 0.013 45.184 45.100 0.117 0.000 0.861 114 G HN 0.875 nan 8.290 nan 0.000 0.534 115 A N 0.890 123.815 122.820 0.174 0.000 2.425 115 A HA 0.612 4.932 4.320 0.001 0.000 0.249 115 A C 1.061 178.535 177.584 -0.184 0.000 1.084 115 A CA 0.300 52.305 52.037 -0.053 0.000 0.781 115 A CB 0.250 19.205 19.000 -0.075 0.000 1.019 115 A HN 0.581 nan 8.150 nan 0.000 0.490 116 T N -0.508 113.763 114.554 -0.471 0.000 2.788 116 T HA 0.445 4.795 4.350 0.001 0.000 0.280 116 T C 1.167 175.767 174.700 -0.167 0.000 0.984 116 T CA 0.098 61.887 62.100 -0.519 0.000 0.972 116 T CB 1.067 69.464 68.868 -0.786 0.000 1.039 116 T HN 0.988 nan 8.240 nan 0.000 0.530 117 G N -0.509 108.245 108.800 -0.076 0.000 2.920 117 G HA2 0.080 4.041 3.960 0.001 0.000 0.208 117 G HA3 0.080 4.041 3.960 0.001 0.000 0.208 117 G C 1.155 176.034 174.900 -0.035 0.000 1.159 117 G CA -0.269 44.816 45.100 -0.025 0.000 0.784 117 G HN 0.761 nan 8.290 nan 0.000 0.535 118 K N -0.225 120.135 120.400 -0.067 0.000 2.361 118 K HA 0.209 4.530 4.320 0.001 0.000 0.194 118 K C 1.435 178.010 176.600 -0.042 0.000 1.032 118 K CA 0.201 56.461 56.287 -0.046 0.000 1.048 118 K CB 0.959 33.430 32.500 -0.049 0.000 0.842 118 K HN 0.227 nan 8.250 nan 0.000 0.526 119 G N 0.156 108.916 108.800 -0.066 0.000 2.938 119 G HA2 0.086 4.047 3.960 0.001 0.000 0.258 119 G HA3 0.086 4.047 3.960 0.001 0.000 0.258 119 G C 0.100 174.979 174.900 -0.034 0.000 1.356 119 G CA -0.512 44.560 45.100 -0.046 0.000 1.052 119 G HN -0.067 nan 8.290 nan 0.000 0.550 120 N N -0.051 118.619 118.700 -0.050 0.000 2.395 120 N HA -0.052 4.689 4.740 0.001 0.000 0.175 120 N C 1.290 176.746 175.510 -0.090 0.000 1.029 120 N CA 0.463 53.467 53.050 -0.077 0.000 0.897 120 N CB 0.214 38.553 38.487 -0.247 0.000 0.991 120 N HN 0.411 nan 8.380 nan 0.000 0.441 121 D N 2.052 122.404 120.400 -0.081 0.000 2.149 121 D HA -0.191 4.450 4.640 0.001 0.000 0.198 121 D C 2.108 178.408 176.300 -0.000 0.000 0.990 121 D CA 0.961 54.933 54.000 -0.046 0.000 0.839 121 D CB -0.107 40.720 40.800 0.045 0.000 0.948 121 D HN 0.575 nan 8.370 nan 0.000 0.460 122 Q N 0.716 120.487 119.800 -0.048 0.000 2.096 122 Q HA -0.126 4.214 4.340 0.001 0.000 0.204 122 Q C 2.240 178.223 176.000 -0.029 0.000 0.982 122 Q CA 1.473 57.221 55.803 -0.091 0.000 0.850 122 Q CB -0.566 28.198 28.738 0.043 0.000 0.901 122 Q HN 0.145 nan 8.270 nan 0.000 0.422 123 V N 1.340 121.246 119.914 -0.013 0.000 2.343 123 V HA -0.240 3.880 4.120 0.001 0.000 0.247 123 V C 2.455 178.519 176.094 -0.051 0.000 1.051 123 V CA 2.210 64.511 62.300 0.002 0.000 1.036 123 V CB -0.745 31.115 31.823 0.062 0.000 0.654 123 V HN 0.323 nan 8.190 nan 0.000 0.451 124 R N -0.576 119.854 120.500 -0.117 0.000 2.073 124 R HA -0.125 4.215 4.340 0.001 0.000 0.234 124 R C 2.261 178.437 176.300 -0.207 0.000 1.134 124 R CA 1.975 57.954 56.100 -0.202 0.000 0.952 124 R CB -0.576 29.535 30.300 -0.315 0.000 0.850 124 R HN 0.439 nan 8.270 nan 0.000 0.433 125 F N 1.096 120.935 119.950 -0.185 0.000 2.075 125 F HA -0.188 4.339 4.527 0.001 0.000 0.297 125 F C 2.391 178.122 175.800 -0.114 0.000 1.113 125 F CA 1.541 59.434 58.000 -0.178 0.000 1.218 125 F CB -0.151 38.606 39.000 -0.404 0.000 0.984 125 F HN 0.065 nan 8.300 nan 0.000 0.472 126 E N 0.187 120.435 120.200 0.081 0.000 2.072 126 E HA -0.169 4.182 4.350 0.001 0.000 0.191 126 E C 2.280 178.888 176.600 0.014 0.000 0.985 126 E CA 1.058 57.447 56.400 -0.017 0.000 0.801 126 E CB -0.286 29.473 29.700 0.098 0.000 0.750 126 E HN 0.404 nan 8.360 nan 0.000 0.452 127 L N 0.701 121.974 121.223 0.085 0.000 2.046 127 L HA -0.170 4.171 4.340 0.001 0.000 0.208 127 L C 2.557 179.509 176.870 0.137 0.000 1.077 127 L CA 1.162 56.077 54.840 0.125 0.000 0.747 127 L CB -0.656 41.367 42.059 -0.060 0.000 0.896 127 L HN 0.173 nan 8.230 nan 0.000 0.432 128 T N 0.037 114.653 114.554 0.104 0.000 2.674 128 T HA -0.200 4.150 4.350 0.001 0.000 0.265 128 T C 2.041 176.786 174.700 0.074 0.000 1.039 128 T CA 1.461 63.663 62.100 0.171 0.000 1.150 128 T CB -0.275 68.701 68.868 0.181 0.000 0.864 128 T HN 0.453 nan 8.240 nan 0.000 0.427 129 A N 0.535 123.354 122.820 -0.001 0.000 1.851 129 A HA -0.129 4.191 4.320 0.001 0.000 0.216 129 A C 2.086 179.637 177.584 -0.055 0.000 1.195 129 A CA 1.689 53.675 52.037 -0.085 0.000 0.622 129 A CB -1.295 17.582 19.000 -0.206 0.000 0.831 129 A HN 0.663 nan 8.150 nan 0.000 0.444 130 Y N -0.284 120.057 120.300 0.069 0.000 2.207 130 Y HA -0.170 4.380 4.550 0.001 0.000 0.287 130 Y C 2.935 178.869 175.900 0.056 0.000 1.156 130 Y CA 0.691 58.827 58.100 0.060 0.000 1.182 130 Y CB -0.240 38.261 38.460 0.069 0.000 0.979 130 Y HN 0.380 nan 8.280 nan 0.000 0.521 131 A N 0.018 122.970 122.820 0.220 0.000 1.930 131 A HA -0.124 4.196 4.320 0.001 0.000 0.217 131 A C 2.133 179.762 177.584 0.076 0.000 1.175 131 A CA 1.362 53.495 52.037 0.160 0.000 0.627 131 A CB -0.823 18.294 19.000 0.194 0.000 0.815 131 A HN 0.472 nan 8.150 nan 0.000 0.443 132 L N -1.796 119.435 121.223 0.014 0.000 2.162 132 L HA 0.078 4.419 4.340 0.001 0.000 0.205 132 L C 1.307 178.169 176.870 -0.014 0.000 1.086 132 L CA 1.057 55.860 54.840 -0.060 0.000 0.778 132 L CB -0.046 41.921 42.059 -0.153 0.000 0.928 132 L HN 0.311 nan 8.230 nan 0.000 0.446 133 K N 0.469 120.883 120.400 0.024 0.000 2.675 133 K HA 0.208 4.529 4.320 0.001 0.000 0.224 133 K C -2.025 174.642 176.600 0.111 0.000 1.003 133 K CA -1.479 54.833 56.287 0.043 0.000 1.034 133 K CB 1.681 34.190 32.500 0.016 0.000 1.218 133 K HN -0.266 nan 8.250 nan 0.000 0.507 134 P HA -0.186 nan 4.420 nan 0.000 0.218 134 P C -0.013 177.389 177.300 0.171 0.000 1.146 134 P CA 1.213 64.410 63.100 0.162 0.000 0.813 134 P CB 0.354 32.109 31.700 0.091 0.000 0.778 135 D N -0.688 119.783 120.400 0.119 0.000 2.355 135 D HA 0.035 4.675 4.640 0.001 0.000 0.218 135 D C 1.071 177.443 176.300 0.121 0.000 1.004 135 D CA -0.183 53.878 54.000 0.103 0.000 0.880 135 D CB -0.410 40.427 40.800 0.063 0.000 0.911 135 D HN 0.189 nan 8.370 nan 0.000 0.528 136 I N 1.410 122.058 120.570 0.130 0.000 2.815 136 I HA -0.117 4.053 4.170 0.001 0.000 0.291 136 I C 0.032 176.222 176.117 0.122 0.000 1.209 136 I CA 0.003 61.352 61.300 0.082 0.000 1.431 136 I CB 0.426 38.431 38.000 0.008 0.000 1.351 136 I HN -0.356 nan 8.210 nan 0.000 0.585 137 K N 5.674 126.115 120.400 0.067 0.000 2.183 137 K HA 0.599 4.919 4.320 0.001 0.000 0.274 137 K C -1.141 175.470 176.600 0.018 0.000 1.009 137 K CA -0.384 55.950 56.287 0.078 0.000 0.888 137 K CB 1.599 34.134 32.500 0.059 0.000 1.078 137 K HN 0.367 nan 8.250 nan 0.000 0.459 138 V N 4.693 124.627 119.914 0.033 0.000 2.555 138 V HA 0.521 4.642 4.120 0.001 0.000 0.302 138 V C -0.440 175.635 176.094 -0.032 0.000 1.038 138 V CA -0.825 61.454 62.300 -0.035 0.000 0.887 138 V CB 1.549 33.326 31.823 -0.077 0.000 0.991 138 V HN 0.603 nan 8.190 nan 0.000 0.434 139 I N 3.668 124.167 120.570 -0.118 0.000 2.418 139 I HA 0.681 4.852 4.170 0.001 0.000 0.287 139 I C 0.064 175.999 176.117 -0.302 0.000 1.008 139 I CA -0.619 60.600 61.300 -0.135 0.000 1.104 139 I CB 1.974 39.875 38.000 -0.165 0.000 1.264 139 I HN 0.655 nan 8.210 nan 0.000 0.438 140 A N 7.781 130.422 122.820 -0.298 0.000 2.644 140 A HA 0.579 4.899 4.320 0.001 0.000 0.343 140 A C -2.037 175.268 177.584 -0.465 0.000 1.324 140 A CA -1.462 50.286 52.037 -0.481 0.000 0.846 140 A CB 0.199 19.006 19.000 -0.321 0.000 1.128 140 A HN 0.462 nan 8.150 nan 0.000 0.484 141 P HA -0.200 nan 4.420 nan 0.000 0.217 141 P C 0.817 177.078 177.300 -1.732 0.000 1.151 141 P CA 1.439 63.823 63.100 -1.193 0.000 0.849 141 P CB 0.044 31.048 31.700 -1.160 0.000 0.787 142 W N -0.365 120.031 121.300 -1.507 0.000 2.364 142 W HA -0.080 4.581 4.660 0.001 0.000 0.281 142 W C 2.377 178.412 176.519 -0.806 0.000 1.219 142 W CA 1.065 57.592 57.345 -1.364 0.000 1.220 142 W CB -0.432 28.653 29.460 -0.625 0.000 1.127 142 W HN -0.066 nan 8.180 nan 0.000 0.556 143 R N -0.494 119.779 120.500 -0.378 0.000 2.223 143 R HA 0.030 4.370 4.340 0.001 0.000 0.198 143 R C 1.411 177.607 176.300 -0.173 0.000 0.984 143 R CA 0.858 56.850 56.100 -0.180 0.000 1.018 143 R CB -0.041 30.205 30.300 -0.090 0.000 0.945 143 R HN 0.316 nan 8.270 nan 0.000 0.479 144 E N -0.119 119.908 120.200 -0.289 0.000 2.389 144 E HA -0.017 4.333 4.350 0.001 0.000 0.199 144 E C 0.094 176.717 176.600 0.039 0.000 0.978 144 E CA -0.089 56.269 56.400 -0.071 0.000 0.912 144 E CB 0.120 29.884 29.700 0.106 0.000 0.907 144 E HN 0.141 nan 8.360 nan 0.000 0.494 145 W N 1.508 122.597 121.300 -0.352 0.000 2.089 145 W HA 0.276 4.937 4.660 0.000 0.000 0.362 145 W C 0.912 177.242 176.519 -0.316 0.000 1.362 145 W CA -0.729 56.387 57.345 -0.382 0.000 1.460 145 W CB -0.241 28.619 29.460 -1.001 0.000 1.204 145 W HN -0.217 nan 8.180 nan 0.000 0.657 146 S N -0.770 114.839 115.700 -0.152 0.000 2.578 146 S HA 0.288 4.759 4.470 0.001 0.000 0.231 146 S C 0.054 174.489 174.600 -0.275 0.000 0.994 146 S CA -0.642 57.459 58.200 -0.164 0.000 0.956 146 S CB -1.093 62.024 63.200 -0.137 0.000 0.870 146 S HN 0.304 nan 8.310 nan 0.000 0.494 147 F N 2.973 122.737 119.950 -0.310 0.000 2.607 147 F HA 0.226 4.754 4.527 0.001 0.000 0.374 147 F C 1.060 176.761 175.800 -0.165 0.000 1.104 147 F CA -0.027 57.736 58.000 -0.395 0.000 1.296 147 F CB 0.323 38.814 39.000 -0.847 0.000 1.085 147 F HN 0.154 nan 8.300 nan 0.000 0.584 148 Q N 2.603 122.454 119.800 0.085 0.000 2.347 148 Q HA 0.556 4.897 4.340 0.001 0.000 0.265 148 Q C -0.060 175.979 176.000 0.064 0.000 1.024 148 Q CA -0.715 55.137 55.803 0.081 0.000 0.731 148 Q CB 2.015 30.790 28.738 0.061 0.000 1.245 148 Q HN 0.989 nan 8.270 nan 0.000 0.472 149 G N 1.295 110.139 108.800 0.074 0.000 2.629 149 G HA2 -0.203 3.757 3.960 0.001 0.000 0.686 149 G HA3 -0.203 3.757 3.960 0.001 0.000 0.686 149 G C -0.218 174.685 174.900 0.006 0.000 1.232 149 G CA -0.615 44.514 45.100 0.050 0.000 0.803 149 G HN 0.565 nan 8.290 nan 0.000 0.638 150 R N 0.796 121.303 120.500 0.012 0.000 2.073 150 R HA 0.047 4.387 4.340 0.001 0.000 0.229 150 R C 2.621 178.882 176.300 -0.065 0.000 1.120 150 R CA 2.319 58.407 56.100 -0.020 0.000 0.967 150 R CB -0.493 29.814 30.300 0.012 0.000 0.862 150 R HN 0.584 nan 8.270 nan 0.000 0.436 151 K N 0.774 121.152 120.400 -0.037 0.000 2.034 151 K HA -0.187 4.133 4.320 0.001 0.000 0.214 151 K C 1.992 178.555 176.600 -0.061 0.000 1.051 151 K CA 2.242 58.507 56.287 -0.037 0.000 0.931 151 K CB -0.548 31.944 32.500 -0.014 0.000 0.715 151 K HN 0.343 nan 8.250 nan 0.000 0.446 152 E N 0.227 120.391 120.200 -0.060 0.000 2.058 152 E HA -0.163 4.187 4.350 0.001 0.000 0.194 152 E C 2.095 178.559 176.600 -0.228 0.000 0.997 152 E CA 1.623 57.987 56.400 -0.059 0.000 0.801 152 E CB -0.197 29.519 29.700 0.026 0.000 0.746 152 E HN 0.292 nan 8.360 nan 0.000 0.450 153 M N 0.225 119.557 119.600 -0.446 0.000 2.159 153 M HA -0.170 4.311 4.480 0.001 0.000 0.263 153 M C 2.258 178.339 176.300 -0.365 0.000 1.063 153 M CA 1.290 56.128 55.300 -0.770 0.000 1.110 153 M CB -0.259 31.892 32.600 -0.749 0.000 1.374 153 M HN 0.135 nan 8.290 nan 0.000 0.411 154 I N 0.039 120.489 120.570 -0.201 0.000 2.142 154 I HA -0.267 3.904 4.170 0.001 0.000 0.240 154 I C 2.780 178.860 176.117 -0.062 0.000 1.078 154 I CA 1.243 62.480 61.300 -0.104 0.000 1.343 154 I CB -0.799 37.160 38.000 -0.069 0.000 1.046 154 I HN 0.255 nan 8.210 nan 0.000 0.405 155 A N 0.676 123.468 122.820 -0.047 0.000 1.859 155 A HA -0.338 3.982 4.320 0.001 0.000 0.217 155 A C 2.354 179.957 177.584 0.032 0.000 1.198 155 A CA 2.142 54.175 52.037 -0.005 0.000 0.629 155 A CB -1.472 17.538 19.000 0.016 0.000 0.830 155 A HN 0.569 nan 8.150 nan 0.000 0.446 156 Y N 0.516 120.764 120.300 -0.088 0.000 2.315 156 Y HA -0.113 4.437 4.550 0.001 0.000 0.288 156 Y C 2.466 178.411 175.900 0.074 0.000 1.154 156 Y CA 1.183 59.288 58.100 0.008 0.000 1.229 156 Y CB -0.271 38.127 38.460 -0.103 0.000 0.980 156 Y HN 0.350 nan 8.280 nan 0.000 0.540 157 A N 0.271 123.132 122.820 0.067 0.000 1.835 157 A HA -0.124 4.196 4.320 0.001 0.000 0.213 157 A C 2.015 179.602 177.584 0.005 0.000 1.210 157 A CA 1.463 53.517 52.037 0.028 0.000 0.605 157 A CB -0.735 18.255 19.000 -0.016 0.000 0.860 157 A HN 0.533 nan 8.150 nan 0.000 0.447 158 E N -0.010 120.180 120.200 -0.017 0.000 2.267 158 E HA -0.137 4.213 4.350 0.001 0.000 0.197 158 E C 2.085 178.651 176.600 -0.058 0.000 0.998 158 E CA 0.781 57.163 56.400 -0.030 0.000 0.830 158 E CB -0.255 29.426 29.700 -0.031 0.000 0.751 158 E HN 0.616 nan 8.360 nan 0.000 0.491 159 A N 0.630 123.397 122.820 -0.088 0.000 1.898 159 A HA -0.153 4.168 4.320 0.001 0.000 0.216 159 A C 1.297 178.695 177.584 -0.309 0.000 1.181 159 A CA 1.314 53.227 52.037 -0.206 0.000 0.620 159 A CB -0.443 18.390 19.000 -0.279 0.000 0.819 159 A HN 0.233 nan 8.150 nan 0.000 0.442 160 H N -1.127 117.818 119.070 -0.208 0.000 2.517 160 H HA 0.405 4.961 4.556 0.001 0.000 0.282 160 H C 1.126 176.393 175.328 -0.101 0.000 1.023 160 H CA 0.219 56.163 56.048 -0.173 0.000 1.169 160 H CB 0.000 29.627 29.762 -0.225 0.000 1.454 160 H HN 0.596 nan 8.280 nan 0.000 0.556 161 G N 1.283 110.083 108.800 0.000 0.000 2.368 161 G HA2 -0.251 3.709 3.960 0.001 0.000 0.290 161 G HA3 -0.251 3.709 3.960 0.001 0.000 0.290 161 G C -0.313 174.596 174.900 0.015 0.000 1.098 161 G CA -0.052 45.047 45.100 -0.002 0.000 1.073 161 G HN 0.380 nan 8.290 nan 0.000 0.511 162 I N 0.461 121.040 120.570 0.016 0.000 2.436 162 I HA 0.283 4.453 4.170 0.001 0.000 0.289 162 I C -1.981 174.143 176.117 0.012 0.000 1.010 162 I CA -2.565 58.748 61.300 0.022 0.000 1.098 162 I CB 2.188 40.207 38.000 0.031 0.000 1.266 162 I HN -0.074 nan 8.210 nan 0.000 0.434 163 P HA -0.023 nan 4.420 nan 0.000 0.263 163 P C -0.964 176.337 177.300 0.001 0.000 1.175 163 P CA 0.093 63.197 63.100 0.006 0.000 0.761 163 P CB 0.310 32.017 31.700 0.012 0.000 0.794 164 V N 1.657 121.566 119.914 -0.007 0.000 2.841 164 V HA 0.625 4.745 4.120 0.001 0.000 0.310 164 V C -2.061 174.023 176.094 -0.016 0.000 1.090 164 V CA -2.150 60.141 62.300 -0.014 0.000 0.930 164 V CB 0.358 32.169 31.823 -0.020 0.000 1.014 164 V HN 0.403 nan 8.190 nan 0.000 0.425 172 Y N -1.626 118.662 120.300 -0.020 0.000 2.810 172 Y HA 0.686 5.236 4.550 0.001 0.000 0.355 172 Y C -0.861 175.026 175.900 -0.022 0.000 1.211 172 Y CA -1.173 56.913 58.100 -0.022 0.000 1.112 172 Y CB 0.082 38.528 38.460 -0.023 0.000 1.383 172 Y HN -0.047 nan 8.280 nan 0.000 0.458 173 S N 1.447 117.282 115.700 0.224 0.000 2.617 173 S HA 0.867 5.337 4.470 0.001 0.000 0.283 173 S C -0.853 173.792 174.600 0.075 0.000 1.189 173 S CA -0.522 57.737 58.200 0.098 0.000 1.036 173 S CB 0.453 63.657 63.200 0.007 0.000 1.014 173 S HN 0.648 nan 8.310 nan 0.000 0.522 174 M N 2.510 122.092 119.600 -0.029 0.000 2.501 174 M HA 0.405 4.886 4.480 0.001 0.000 0.293 174 M C -1.931 174.254 176.300 -0.192 0.000 1.192 174 M CA -0.669 54.505 55.300 -0.209 0.000 0.886 174 M CB 2.397 34.881 32.600 -0.194 0.000 1.710 174 M HN 0.699 nan 8.290 nan 0.000 0.457 175 D N 1.633 121.875 120.400 -0.263 0.000 2.855 175 D HA 0.729 5.369 4.640 0.001 0.000 0.241 175 D C -1.806 174.396 176.300 -0.164 0.000 1.277 175 D CA -0.104 53.810 54.000 -0.145 0.000 0.918 175 D CB 1.660 42.434 40.800 -0.043 0.000 1.462 175 D HN 0.731 nan 8.370 nan 0.000 0.559 176 A N 3.266 126.024 122.820 -0.104 0.000 2.401 176 A HA 0.872 5.192 4.320 0.001 0.000 0.310 176 A C -0.781 176.796 177.584 -0.011 0.000 1.075 176 A CA -0.698 51.306 52.037 -0.054 0.000 0.746 176 A CB 1.304 20.255 19.000 -0.081 0.000 1.277 176 A HN 0.734 nan 8.150 nan 0.000 0.425 177 N N -0.424 118.316 118.700 0.068 0.000 3.308 177 N HA 0.241 4.981 4.740 0.001 0.000 0.276 177 N C -0.018 175.578 175.510 0.145 0.000 1.533 177 N CA -0.823 52.243 53.050 0.027 0.000 0.878 177 N CB 0.139 38.566 38.487 -0.100 0.000 1.566 177 N HN 0.283 nan 8.380 nan 0.000 0.546 178 L N -0.334 121.008 121.223 0.198 0.000 2.187 178 L HA -0.026 4.315 4.340 0.001 0.000 0.213 178 L C 1.708 178.701 176.870 0.205 0.000 1.100 178 L CA 1.121 56.085 54.840 0.207 0.000 0.765 178 L CB -0.299 41.894 42.059 0.223 0.000 0.904 178 L HN 0.547 nan 8.230 nan 0.000 0.437 179 L N -1.468 119.916 121.223 0.269 0.000 2.162 179 L HA -0.032 4.308 4.340 0.001 0.000 0.205 179 L C 0.993 178.006 176.870 0.239 0.000 1.086 179 L CA 0.547 55.483 54.840 0.159 0.000 0.778 179 L CB 0.072 42.159 42.059 0.048 0.000 0.928 179 L HN 0.494 nan 8.230 nan 0.000 0.446 180 H N -2.425 116.732 119.070 0.144 0.000 2.917 180 H HA 0.425 4.981 4.556 0.001 0.000 0.269 180 H C -1.381 174.020 175.328 0.122 0.000 1.488 180 H CA -1.262 54.881 56.048 0.158 0.000 1.173 180 H CB 0.915 30.808 29.762 0.219 0.000 1.868 180 H HN -0.111 nan 8.280 nan 0.000 0.600 181 I N 1.394 121.848 120.570 -0.194 0.000 2.534 181 I HA 0.305 4.475 4.170 0.001 0.000 0.288 181 I C -0.408 175.264 176.117 -0.742 0.000 1.077 181 I CA -0.710 60.313 61.300 -0.462 0.000 1.051 181 I CB 2.045 39.909 38.000 -0.226 0.000 1.234 181 I HN 0.618 nan 8.210 nan 0.000 0.425 182 S N 5.895 121.066 115.700 -0.882 0.000 2.525 182 S HA 0.697 5.168 4.470 0.001 0.000 0.290 182 S C -1.420 172.688 174.600 -0.819 0.000 1.152 182 S CA -0.201 57.608 58.200 -0.652 0.000 1.072 182 S CB 0.712 63.784 63.200 -0.213 0.000 1.027 182 S HN 0.371 nan 8.310 nan 0.000 0.500 183 Y N 2.232 122.222 120.300 -0.517 0.000 2.373 183 Y HA 0.546 5.097 4.550 0.001 0.000 0.336 183 Y C 0.051 175.703 175.900 -0.414 0.000 0.979 183 Y CA -0.686 57.134 58.100 -0.466 0.000 1.080 183 Y CB 1.753 39.803 38.460 -0.683 0.000 1.190 183 Y HN 0.841 nan 8.280 nan 0.000 0.446 184 E N 1.220 121.357 120.200 -0.105 0.000 2.401 184 E HA 0.703 5.053 4.350 0.001 0.000 0.280 184 E C -0.438 176.169 176.600 0.011 0.000 1.039 184 E CA -1.085 55.270 56.400 -0.076 0.000 0.814 184 E CB 2.068 31.709 29.700 -0.098 0.000 1.275 184 E HN 0.974 nan 8.360 nan 0.000 0.448 185 G N -0.164 108.646 108.800 0.016 0.000 2.710 185 G HA2 0.306 4.266 3.960 0.001 0.000 0.668 185 G HA3 0.306 4.266 3.960 0.001 0.000 0.668 185 G C 0.660 175.601 174.900 0.069 0.000 1.320 185 G CA 0.219 45.340 45.100 0.037 0.000 0.860 185 G HN 1.851 nan 8.290 nan 0.000 0.538 186 G N -1.628 107.203 108.800 0.052 0.000 2.634 186 G HA2 -0.006 3.954 3.960 0.001 0.000 0.309 186 G HA3 -0.006 3.954 3.960 0.001 0.000 0.309 186 G C 1.989 176.920 174.900 0.053 0.000 1.265 186 G CA 2.764 47.894 45.100 0.050 0.000 0.998 186 G HN 2.531 nan 8.290 nan 0.000 0.551 187 V N -1.786 118.168 119.914 0.066 0.000 2.688 187 V HA 0.010 4.130 4.120 0.001 0.000 0.256 187 V C 2.713 178.827 176.094 0.033 0.000 1.084 187 V CA 2.617 64.947 62.300 0.050 0.000 1.103 187 V CB -0.549 31.307 31.823 0.056 0.000 0.688 187 V HN 0.619 nan 8.190 nan 0.000 0.480 188 L N 0.662 121.905 121.223 0.033 0.000 2.376 188 L HA 0.066 4.407 4.340 0.001 0.000 0.219 188 L C 2.538 179.408 176.870 -0.000 0.000 1.133 188 L CA 1.333 56.163 54.840 -0.016 0.000 0.816 188 L CB -1.205 40.822 42.059 -0.053 0.000 0.933 188 L HN 0.458 nan 8.230 nan 0.000 0.449 189 E N -0.860 119.353 120.200 0.021 0.000 2.333 189 E HA -0.175 4.175 4.350 0.001 0.000 0.198 189 E C 0.370 176.994 176.600 0.040 0.000 1.007 189 E CA 0.426 56.844 56.400 0.029 0.000 0.845 189 E CB -0.037 29.683 29.700 0.033 0.000 0.766 189 E HN 0.314 nan 8.360 nan 0.000 0.507 190 D N 0.305 120.732 120.400 0.045 0.000 2.411 190 D HA 0.062 4.703 4.640 0.001 0.000 0.225 190 D C -1.944 174.407 176.300 0.086 0.000 1.156 190 D CA -2.613 51.431 54.000 0.073 0.000 0.874 190 D CB 1.271 42.121 40.800 0.084 0.000 1.034 190 D HN -0.215 nan 8.370 nan 0.000 0.502 191 P HA -0.104 nan 4.420 nan 0.000 0.220 191 P C 0.924 178.327 177.300 0.171 0.000 1.144 191 P CA 0.776 63.943 63.100 0.111 0.000 0.800 191 P CB 0.033 31.804 31.700 0.118 0.000 0.772 192 W N -0.260 121.035 121.300 -0.008 0.000 3.197 192 W HA 0.365 5.026 4.660 0.001 0.000 0.274 192 W C -0.332 176.180 176.519 -0.012 0.000 1.297 192 W CA -0.065 57.275 57.345 -0.008 0.000 1.662 192 W CB 0.315 29.773 29.460 -0.004 0.000 1.106 192 W HN -0.185 nan 8.180 nan 0.000 0.663 193 A N 2.171 124.997 122.820 0.010 0.000 2.279 193 A HA 0.208 4.528 4.320 0.001 0.000 0.306 193 A C -0.038 177.474 177.584 -0.120 0.000 1.300 193 A CA -0.357 51.639 52.037 -0.068 0.000 0.925 193 A CB 0.132 19.136 19.000 0.007 0.000 1.152 193 A HN 0.388 nan 8.150 nan 0.000 0.544 194 E N 3.425 123.520 120.200 -0.175 0.000 2.437 194 E HA 0.172 4.522 4.350 0.001 0.000 0.263 194 E C -2.086 174.443 176.600 -0.119 0.000 1.030 194 E CA -1.075 55.233 56.400 -0.153 0.000 0.934 194 E CB 0.302 29.908 29.700 -0.157 0.000 0.943 194 E HN 0.419 nan 8.360 nan 0.000 0.444 195 P HA 0.085 nan 4.420 nan 0.000 0.269 195 P C -2.432 174.778 177.300 -0.149 0.000 1.215 195 P CA -0.829 62.162 63.100 -0.181 0.000 0.780 195 P CB 0.078 31.621 31.700 -0.263 0.000 0.898 196 P HA 0.081 nan 4.420 nan 0.000 0.271 196 P C -0.326 176.913 177.300 -0.102 0.000 1.220 196 P CA -0.158 62.887 63.100 -0.092 0.000 0.768 196 P CB 0.537 32.217 31.700 -0.034 0.000 0.848 197 K N 2.677 123.045 120.400 -0.053 0.000 2.524 197 K HA 0.198 4.518 4.320 0.001 0.000 0.279 197 K C 1.344 177.926 176.600 -0.030 0.000 0.993 197 K CA 1.419 57.689 56.287 -0.029 0.000 1.030 197 K CB -0.762 31.727 32.500 -0.019 0.000 0.891 197 K HN 0.786 nan 8.250 nan 0.000 0.488 198 G N 3.649 112.444 108.800 -0.008 0.000 2.148 198 G HA2 -0.341 3.620 3.960 0.001 0.000 0.254 198 G HA3 -0.341 3.620 3.960 0.001 0.000 0.254 198 G C 0.608 175.475 174.900 -0.055 0.000 0.981 198 G CA 0.589 45.685 45.100 -0.006 0.000 0.670 198 G HN 0.692 nan 8.290 nan 0.000 0.528 199 M N -0.578 118.901 119.600 -0.202 0.000 2.123 199 M HA 0.334 4.814 4.480 0.001 0.000 0.263 199 M C 1.086 177.059 176.300 -0.545 0.000 1.069 199 M CA 0.698 55.732 55.300 -0.443 0.000 1.133 199 M CB 0.031 32.094 32.600 -0.895 0.000 1.356 199 M HN 0.128 nan 8.290 nan 0.000 0.415 200 F N 1.206 120.924 119.950 -0.386 0.000 2.607 200 F HA -0.018 4.509 4.527 0.000 0.000 0.374 200 F C 1.495 177.266 175.800 -0.048 0.000 1.104 200 F CA 0.544 58.389 58.000 -0.258 0.000 1.296 200 F CB 0.354 39.246 39.000 -0.180 0.000 1.085 200 F HN 0.123 nan 8.300 nan 0.000 0.584 201 R N 1.777 122.436 120.500 0.265 0.000 2.243 201 R HA 0.153 4.493 4.340 0.001 0.000 0.193 201 R C 1.814 178.211 176.300 0.161 0.000 0.933 201 R CA 0.149 56.364 56.100 0.190 0.000 1.105 201 R CB -0.042 30.374 30.300 0.194 0.000 1.169 201 R HN 0.665 nan 8.270 nan 0.000 0.599 202 M N 1.571 121.287 119.600 0.194 0.000 2.349 202 M HA 0.004 4.484 4.480 0.001 0.000 0.266 202 M C 0.019 176.384 176.300 0.107 0.000 1.076 202 M CA 1.088 56.472 55.300 0.140 0.000 1.126 202 M CB 0.443 33.135 32.600 0.153 0.000 1.392 202 M HN 0.058 nan 8.290 nan 0.000 0.440 203 T N -1.206 113.414 114.554 0.109 0.000 2.797 203 T HA 0.411 4.761 4.350 0.001 0.000 0.279 203 T C -0.559 174.136 174.700 -0.009 0.000 0.991 203 T CA -0.958 61.156 62.100 0.023 0.000 0.979 203 T CB 1.780 70.611 68.868 -0.061 0.000 0.943 203 T HN 0.214 nan 8.240 nan 0.000 0.444 204 Q N 2.196 121.978 119.800 -0.030 0.000 2.392 204 Q HA 0.112 4.452 4.340 0.001 0.000 0.262 204 Q C -0.081 175.867 176.000 -0.087 0.000 1.003 204 Q CA 0.045 55.820 55.803 -0.048 0.000 0.888 204 Q CB 0.463 29.159 28.738 -0.069 0.000 1.260 204 Q HN 0.747 nan 8.270 nan 0.000 0.435 205 D N 3.790 124.144 120.400 -0.076 0.000 2.425 205 D HA 0.043 4.683 4.640 0.001 0.000 0.247 205 D C -1.705 174.524 176.300 -0.117 0.000 1.147 205 D CA -1.565 52.373 54.000 -0.103 0.000 0.879 205 D CB 1.249 42.014 40.800 -0.059 0.000 1.179 205 D HN 0.455 nan 8.370 nan 0.000 0.456 206 P HA -0.180 nan 4.420 nan 0.000 0.216 206 P C 0.647 177.867 177.300 -0.134 0.000 1.157 206 P CA 1.481 64.494 63.100 -0.144 0.000 0.880 206 P CB 0.206 31.817 31.700 -0.149 0.000 0.791 207 E N -0.983 119.153 120.200 -0.106 0.000 2.401 207 E HA -0.152 4.199 4.350 0.001 0.000 0.199 207 E C 0.957 177.512 176.600 -0.076 0.000 1.023 207 E CA 0.671 57.020 56.400 -0.085 0.000 0.859 207 E CB -0.241 29.421 29.700 -0.063 0.000 0.780 207 E HN 0.302 nan 8.360 nan 0.000 0.523 208 E N -0.330 119.821 120.200 -0.080 0.000 2.624 208 E HA 0.221 4.571 4.350 0.001 0.000 0.210 208 E C -0.390 176.156 176.600 -0.091 0.000 0.997 208 E CA -0.134 56.224 56.400 -0.070 0.000 0.999 208 E CB 0.817 30.484 29.700 -0.054 0.000 1.040 208 E HN 0.117 nan 8.360 nan 0.000 0.469 209 A N 2.045 124.793 122.820 -0.119 0.000 2.322 209 A HA 0.502 4.822 4.320 0.001 0.000 0.269 209 A C -2.299 175.204 177.584 -0.135 0.000 1.094 209 A CA -1.307 50.636 52.037 -0.156 0.000 0.807 209 A CB -0.038 18.867 19.000 -0.158 0.000 1.047 209 A HN -0.130 nan 8.150 nan 0.000 0.487 210 P HA -0.075 nan 4.420 nan 0.000 0.265 210 P C -0.071 177.271 177.300 0.069 0.000 1.167 210 P CA 0.424 63.492 63.100 -0.053 0.000 0.760 210 P CB 0.444 32.089 31.700 -0.091 0.000 0.783 211 D N 1.118 121.576 120.400 0.097 0.000 2.269 211 D HA -0.019 4.622 4.640 0.001 0.000 0.208 211 D C 0.733 177.202 176.300 0.282 0.000 0.963 211 D CA 0.917 55.021 54.000 0.173 0.000 0.864 211 D CB 0.172 41.033 40.800 0.103 0.000 0.936 211 D HN 0.369 nan 8.370 nan 0.000 0.505 212 A N 1.984 124.936 122.820 0.221 0.000 2.305 212 A HA 0.494 4.814 4.320 0.001 0.000 0.322 212 A C -2.325 175.414 177.584 0.258 0.000 1.187 212 A CA -1.291 50.855 52.037 0.181 0.000 0.825 212 A CB 1.057 20.125 19.000 0.114 0.000 1.164 212 A HN -0.133 nan 8.150 nan 0.000 0.498 213 P HA 0.188 nan 4.420 nan 0.000 0.272 213 P C -0.717 176.560 177.300 -0.038 0.000 1.230 213 P CA -0.073 63.057 63.100 0.050 0.000 0.788 213 P CB 0.978 32.518 31.700 -0.267 0.000 0.949 214 E N 1.179 121.275 120.200 -0.173 0.000 2.210 214 E HA 0.313 4.663 4.350 0.001 0.000 0.266 214 E C -1.207 175.267 176.600 -0.209 0.000 0.883 214 E CA -0.709 55.636 56.400 -0.091 0.000 0.761 214 E CB 0.899 30.631 29.700 0.053 0.000 1.156 214 E HN 0.315 nan 8.360 nan 0.000 0.412 215 Y N 1.840 122.141 120.300 0.002 0.000 2.352 215 Y HA 0.511 5.061 4.550 0.001 0.000 0.326 215 Y C -0.049 175.858 175.900 0.013 0.000 1.166 215 Y CA -0.463 57.638 58.100 0.002 0.000 1.182 215 Y CB 1.876 40.339 38.460 0.005 0.000 1.216 215 Y HN 0.269 nan 8.280 nan 0.000 0.474 216 V N 2.972 122.990 119.914 0.172 0.000 2.932 216 V HA 0.472 4.593 4.120 0.001 0.000 0.307 216 V C -1.402 174.756 176.094 0.106 0.000 1.147 216 V CA -0.606 61.761 62.300 0.113 0.000 0.951 216 V CB 2.177 34.044 31.823 0.074 0.000 1.031 216 V HN 0.876 nan 8.190 nan 0.000 0.426 217 E N 3.974 124.221 120.200 0.080 0.000 2.212 217 E HA 0.719 5.069 4.350 0.001 0.000 0.268 217 E C -1.595 175.034 176.600 0.047 0.000 0.902 217 E CA -0.758 55.684 56.400 0.069 0.000 0.779 217 E CB 2.676 32.408 29.700 0.054 0.000 1.172 217 E HN 0.504 nan 8.360 nan 0.000 0.409 218 V N 2.154 122.102 119.914 0.056 0.000 2.531 218 V HA 0.232 4.352 4.120 0.001 0.000 0.301 218 V C -0.351 175.746 176.094 0.005 0.000 1.034 218 V CA -0.778 61.516 62.300 -0.010 0.000 0.865 218 V CB 1.784 33.594 31.823 -0.021 0.000 0.995 218 V HN 0.662 nan 8.190 nan 0.000 0.424 219 E N 3.424 123.575 120.200 -0.081 0.000 2.197 219 E HA 0.553 4.904 4.350 0.001 0.000 0.281 219 E C -1.761 174.759 176.600 -0.133 0.000 0.995 219 E CA -0.459 55.934 56.400 -0.012 0.000 0.808 219 E CB 1.155 30.852 29.700 -0.004 0.000 1.093 219 E HN 0.499 nan 8.360 nan 0.000 0.394 220 F N 3.594 123.545 119.950 0.002 0.000 2.480 220 F HA 0.446 4.974 4.527 0.001 0.000 0.329 220 F C -0.557 175.288 175.800 0.074 0.000 1.091 220 F CA -0.800 57.190 58.000 -0.016 0.000 0.972 220 F CB 1.338 40.290 39.000 -0.080 0.000 1.150 220 F HN 0.388 nan 8.300 nan 0.000 0.467 221 F N 2.919 122.908 119.950 0.065 0.000 2.553 221 F HA 0.359 4.886 4.527 0.001 0.000 0.335 221 F C -0.007 175.798 175.800 0.008 0.000 1.148 221 F CA -0.961 57.052 58.000 0.022 0.000 0.963 221 F CB 0.748 39.743 39.000 -0.008 0.000 1.217 221 F HN 0.720 nan 8.300 nan 0.000 0.441 222 E N 4.267 124.139 120.200 -0.548 0.000 2.297 222 E HA -0.237 4.113 4.350 0.001 0.000 0.228 222 E C 1.068 177.533 176.600 -0.225 0.000 1.213 222 E CA 0.906 57.021 56.400 -0.475 0.000 0.712 222 E CB -1.320 27.969 29.700 -0.685 0.000 1.202 222 E HN 1.305 nan 8.360 nan 0.000 0.376 223 G N -0.387 108.337 108.800 -0.126 0.000 2.258 223 G HA2 -0.248 3.713 3.960 0.001 0.000 0.233 223 G HA3 -0.248 3.713 3.960 0.001 0.000 0.233 223 G C -0.157 174.744 174.900 0.001 0.000 1.006 223 G CA 0.259 45.308 45.100 -0.086 0.000 0.620 223 G HN 0.351 nan 8.290 nan 0.000 0.511 224 D N 1.883 122.269 120.400 -0.024 0.000 2.350 224 D HA 0.509 5.150 4.640 0.001 0.000 0.245 224 D C -2.617 173.468 176.300 -0.360 0.000 1.036 224 D CA -1.283 52.539 54.000 -0.297 0.000 0.848 224 D CB 2.411 42.980 40.800 -0.385 0.000 1.307 224 D HN 0.144 nan 8.370 nan 0.000 0.469 225 P HA 0.020 nan 4.420 nan 0.000 0.276 225 P C 0.652 177.716 177.300 -0.394 0.000 1.235 225 P CA -0.265 62.248 63.100 -0.978 0.000 0.772 225 P CB 1.220 32.308 31.700 -1.021 0.000 0.871 226 V N 0.021 119.788 119.914 -0.244 0.000 3.556 226 V HA 0.702 4.823 4.120 0.001 0.000 0.287 226 V C 0.360 176.413 176.094 -0.068 0.000 1.422 226 V CA 0.177 62.430 62.300 -0.078 0.000 1.038 226 V CB -0.151 31.658 31.823 -0.023 0.000 0.850 226 V HN 0.657 nan 8.190 nan 0.000 0.437 227 A N -0.460 122.296 122.820 -0.106 0.000 2.608 227 A HA 0.810 5.131 4.320 0.001 0.000 0.292 227 A C -1.420 176.124 177.584 -0.066 0.000 1.066 227 A CA -0.373 51.627 52.037 -0.063 0.000 0.676 227 A CB 1.990 20.962 19.000 -0.045 0.000 1.277 227 A HN 0.534 nan 8.150 nan 0.000 0.413 228 V N 2.271 122.167 119.914 -0.030 0.000 2.531 228 V HA 0.415 4.535 4.120 0.001 0.000 0.301 228 V C -0.159 175.938 176.094 0.006 0.000 1.034 228 V CA -0.734 61.559 62.300 -0.011 0.000 0.865 228 V CB 1.518 33.343 31.823 0.002 0.000 0.995 228 V HN 0.972 nan 8.190 nan 0.000 0.424 229 N N 3.870 122.580 118.700 0.017 0.000 2.714 229 N HA -0.226 4.514 4.740 0.001 0.000 0.252 229 N C 1.230 176.748 175.510 0.012 0.000 1.014 229 N CA 1.526 54.590 53.050 0.023 0.000 0.735 229 N CB -0.950 37.557 38.487 0.033 0.000 0.924 229 N HN 1.590 nan 8.380 nan 0.000 0.540 230 G N -0.549 108.253 108.800 0.005 0.000 2.184 230 G HA2 -0.365 3.595 3.960 0.001 0.000 0.264 230 G HA3 -0.365 3.595 3.960 0.001 0.000 0.264 230 G C -0.166 174.730 174.900 -0.006 0.000 0.975 230 G CA 0.757 45.856 45.100 -0.002 0.000 0.642 230 G HN 0.712 nan 8.290 nan 0.000 0.536 231 E N 0.984 121.182 120.200 -0.004 0.000 2.109 231 E HA 0.484 4.834 4.350 0.001 0.000 0.278 231 E C 0.437 177.030 176.600 -0.011 0.000 0.954 231 E CA -1.053 55.344 56.400 -0.005 0.000 0.779 231 E CB 0.422 30.124 29.700 0.003 0.000 1.093 231 E HN 0.106 nan 8.360 nan 0.000 0.401 232 R N 4.058 124.548 120.500 -0.015 0.000 2.489 232 R HA 0.285 4.625 4.340 0.001 0.000 0.287 232 R C -0.444 175.853 176.300 -0.005 0.000 1.053 232 R CA 0.109 56.197 56.100 -0.019 0.000 1.036 232 R CB -0.047 30.236 30.300 -0.027 0.000 0.966 232 R HN 0.557 nan 8.270 nan 0.000 0.432 233 L N 1.176 122.400 121.223 0.002 0.000 2.422 233 L HA 0.296 4.636 4.340 0.001 0.000 0.264 233 L C 0.432 177.324 176.870 0.035 0.000 0.984 233 L CA -0.921 53.929 54.840 0.017 0.000 0.819 233 L CB 2.208 44.278 42.059 0.018 0.000 1.330 233 L HN 0.657 nan 8.230 nan 0.000 0.410 234 S N 1.258 116.978 115.700 0.033 0.000 2.576 234 S HA 0.196 4.666 4.470 0.001 0.000 0.272 234 S C -1.937 172.690 174.600 0.046 0.000 1.352 234 S CA -0.735 57.489 58.200 0.041 0.000 1.021 234 S CB 0.725 63.938 63.200 0.022 0.000 0.887 234 S HN 0.444 nan 8.310 nan 0.000 0.542 235 P HA -0.223 nan 4.420 nan 0.000 0.216 235 P C 1.679 178.891 177.300 -0.146 0.000 1.167 235 P CA 2.517 65.542 63.100 -0.124 0.000 0.914 235 P CB -0.304 31.128 31.700 -0.447 0.000 0.793 236 A N -0.694 122.057 122.820 -0.116 0.000 1.898 236 A HA -0.083 4.238 4.320 0.001 0.000 0.216 236 A C 2.322 179.902 177.584 -0.007 0.000 1.181 236 A CA 2.114 54.115 52.037 -0.058 0.000 0.620 236 A CB -1.614 17.374 19.000 -0.021 0.000 0.819 236 A HN 0.201 nan 8.150 nan 0.000 0.442 237 A N -0.421 122.402 122.820 0.005 0.000 1.933 237 A HA -0.048 4.272 4.320 0.001 0.000 0.218 237 A C 2.208 179.810 177.584 0.028 0.000 1.175 237 A CA 1.497 53.545 52.037 0.019 0.000 0.628 237 A CB -0.581 18.430 19.000 0.019 0.000 0.814 237 A HN 0.601 nan 8.150 nan 0.000 0.444 238 L N -0.863 120.383 121.223 0.039 0.000 2.027 238 L HA -0.083 4.257 4.340 0.001 0.000 0.206 238 L C 2.437 179.341 176.870 0.058 0.000 1.074 238 L CA 1.298 56.169 54.840 0.052 0.000 0.745 238 L CB -0.174 41.938 42.059 0.088 0.000 0.898 238 L HN 0.454 nan 8.230 nan 0.000 0.433 239 L N -0.432 120.828 121.223 0.062 0.000 2.083 239 L HA -0.257 4.084 4.340 0.001 0.000 0.209 239 L C 2.631 179.535 176.870 0.056 0.000 1.083 239 L CA 1.499 56.376 54.840 0.062 0.000 0.752 239 L CB -0.226 41.850 42.059 0.028 0.000 0.899 239 L HN 0.462 nan 8.230 nan 0.000 0.433 240 Q N 0.490 120.318 119.800 0.046 0.000 2.002 240 Q HA -0.297 4.044 4.340 0.001 0.000 0.204 240 Q C 2.168 178.197 176.000 0.048 0.000 0.988 240 Q CA 2.156 57.987 55.803 0.047 0.000 0.843 240 Q CB -0.313 28.448 28.738 0.037 0.000 0.908 240 Q HN 0.195 nan 8.270 nan 0.000 0.420 241 R N -0.037 120.489 120.500 0.043 0.000 2.096 241 R HA -0.078 4.262 4.340 0.001 0.000 0.240 241 R C 2.232 178.563 176.300 0.053 0.000 1.139 241 R CA 1.921 58.047 56.100 0.044 0.000 0.952 241 R CB -0.890 29.432 30.300 0.036 0.000 0.854 241 R HN 0.483 nan 8.270 nan 0.000 0.436 242 L N 0.422 121.679 121.223 0.055 0.000 2.201 242 L HA -0.144 4.196 4.340 0.001 0.000 0.212 242 L C 1.797 178.712 176.870 0.074 0.000 1.105 242 L CA 1.041 55.920 54.840 0.064 0.000 0.775 242 L CB -0.555 41.543 42.059 0.064 0.000 0.913 242 L HN 0.262 nan 8.230 nan 0.000 0.440 243 N N 0.279 119.023 118.700 0.073 0.000 2.142 243 N HA -0.164 4.576 4.740 0.001 0.000 0.186 243 N C 1.722 177.275 175.510 0.072 0.000 1.023 243 N CA 1.178 54.275 53.050 0.079 0.000 0.852 243 N CB -0.076 38.458 38.487 0.079 0.000 0.998 243 N HN 0.417 nan 8.380 nan 0.000 0.424 244 E N 0.580 120.818 120.200 0.064 0.000 2.031 244 E HA -0.091 4.259 4.350 0.001 0.000 0.193 244 E C 2.068 178.710 176.600 0.070 0.000 0.994 244 E CA 0.842 57.276 56.400 0.057 0.000 0.800 244 E CB -0.122 29.608 29.700 0.049 0.000 0.752 244 E HN 0.320 nan 8.360 nan 0.000 0.447 245 I N 0.898 121.518 120.570 0.084 0.000 2.142 245 I HA -0.190 3.980 4.170 0.001 0.000 0.240 245 I C 2.613 178.829 176.117 0.165 0.000 1.078 245 I CA 1.326 62.700 61.300 0.123 0.000 1.343 245 I CB -0.655 37.409 38.000 0.107 0.000 1.046 245 I HN 0.180 nan 8.210 nan 0.000 0.405 246 G N 0.424 109.296 108.800 0.121 0.000 2.422 246 G HA2 -0.163 3.798 3.960 0.001 0.000 0.218 246 G HA3 -0.163 3.798 3.960 0.001 0.000 0.218 246 G C 1.723 176.687 174.900 0.107 0.000 1.146 246 G CA 0.788 45.959 45.100 0.117 0.000 0.769 246 G HN 0.505 nan 8.290 nan 0.000 0.547 247 G N 1.474 110.322 108.800 0.080 0.000 2.440 247 G HA2 -0.260 3.701 3.960 0.001 0.000 0.218 247 G HA3 -0.260 3.701 3.960 0.001 0.000 0.218 247 G C 1.850 176.759 174.900 0.015 0.000 1.154 247 G CA 1.140 46.269 45.100 0.049 0.000 0.767 247 G HN 0.626 nan 8.290 nan 0.000 0.552 248 R N -0.746 119.754 120.500 0.001 0.000 2.193 248 R HA -0.026 4.315 4.340 0.001 0.000 0.229 248 R C 1.657 177.819 176.300 -0.230 0.000 1.110 248 R CA 1.518 57.551 56.100 -0.112 0.000 0.988 248 R CB -0.582 29.631 30.300 -0.145 0.000 0.871 248 R HN 0.405 nan 8.270 nan 0.000 0.458 249 H N -0.215 118.837 119.070 -0.029 0.000 2.551 249 H HA 0.178 4.734 4.556 0.001 0.000 0.271 249 H C 0.853 176.125 175.328 -0.093 0.000 0.984 249 H CA 0.579 56.592 56.048 -0.057 0.000 1.164 249 H CB 1.105 30.846 29.762 -0.035 0.000 1.437 249 H HN 0.592 nan 8.280 nan 0.000 0.550 250 G N 1.481 110.273 108.800 -0.013 0.000 2.143 250 G HA2 -0.282 3.679 3.960 0.001 0.000 0.248 250 G HA3 -0.282 3.679 3.960 0.001 0.000 0.248 250 G C 0.326 175.171 174.900 -0.093 0.000 0.991 250 G CA 0.415 45.461 45.100 -0.090 0.000 0.689 250 G HN 0.215 nan 8.290 nan 0.000 0.522 251 V N -0.081 119.818 119.914 -0.025 0.000 2.775 251 V HA 0.580 4.700 4.120 0.001 0.000 0.299 251 V C 1.718 177.807 176.094 -0.008 0.000 1.062 251 V CA 1.483 63.771 62.300 -0.019 0.000 1.063 251 V CB 1.280 33.115 31.823 0.020 0.000 0.994 251 V HN 1.988 nan 8.190 nan 0.000 0.483 252 G N 4.006 112.809 108.800 0.004 0.000 2.165 252 G HA2 -0.204 3.756 3.960 0.001 0.000 0.226 252 G HA3 -0.204 3.756 3.960 0.001 0.000 0.226 252 G C 0.046 174.974 174.900 0.047 0.000 1.035 252 G CA -0.234 44.894 45.100 0.047 0.000 0.744 252 G HN 0.636 nan 8.290 nan 0.000 0.501 253 R N -0.549 119.931 120.500 -0.033 0.000 2.265 253 R HA 0.629 4.970 4.340 0.001 0.000 0.319 253 R C -0.389 175.935 176.300 0.040 0.000 1.006 253 R CA -0.559 55.511 56.100 -0.051 0.000 0.880 253 R CB 2.118 32.225 30.300 -0.321 0.000 1.077 253 R HN 0.097 nan 8.270 nan 0.000 0.454 254 V N 2.356 122.361 119.914 0.153 0.000 2.789 254 V HA 0.244 4.364 4.120 0.001 0.000 0.311 254 V C -0.894 175.287 176.094 0.144 0.000 1.073 254 V CA -0.696 61.685 62.300 0.135 0.000 0.921 254 V CB 2.324 34.297 31.823 0.250 0.000 1.009 254 V HN 0.704 nan 8.190 nan 0.000 0.426 255 D N 4.650 125.050 120.400 -0.000 0.000 2.421 255 D HA 0.532 5.172 4.640 0.001 0.000 0.254 255 D C -0.930 175.326 176.300 -0.073 0.000 1.238 255 D CA -0.089 53.900 54.000 -0.018 0.000 0.919 255 D CB 1.343 42.113 40.800 -0.049 0.000 1.152 255 D HN 0.591 nan 8.370 nan 0.000 0.552 256 I N -0.578 120.001 120.570 0.015 0.000 3.074 256 I HA 0.614 4.784 4.170 0.001 0.000 0.310 256 I C -1.196 174.956 176.117 0.057 0.000 1.153 256 I CA -1.101 60.205 61.300 0.011 0.000 0.993 256 I CB 2.389 40.423 38.000 0.057 0.000 1.237 256 I HN -0.093 nan 8.210 nan 0.000 0.443 257 V N 3.748 123.694 119.914 0.053 0.000 2.294 257 V HA 0.287 4.408 4.120 0.001 0.000 0.272 257 V C 0.167 176.312 176.094 0.085 0.000 1.027 257 V CA -0.313 62.029 62.300 0.069 0.000 0.823 257 V CB 0.703 32.563 31.823 0.061 0.000 1.030 257 V HN 0.884 nan 8.190 nan 0.000 0.457 258 E N 4.671 124.943 120.200 0.120 0.000 2.232 258 E HA 0.408 4.759 4.350 0.001 0.000 0.265 258 E C -0.911 175.801 176.600 0.187 0.000 1.001 258 E CA -1.000 55.483 56.400 0.137 0.000 0.870 258 E CB 1.474 31.293 29.700 0.198 0.000 1.175 258 E HN 0.471 nan 8.360 nan 0.000 0.407 259 N N 1.843 120.673 118.700 0.216 0.000 2.437 259 N HA 0.195 4.936 4.740 0.001 0.000 0.259 259 N C -0.565 175.245 175.510 0.501 0.000 0.983 259 N CA -0.331 52.892 53.050 0.288 0.000 0.937 259 N CB 1.296 39.926 38.487 0.237 0.000 1.122 259 N HN 0.308 nan 8.380 nan 0.000 0.499 260 R N 0.840 121.609 120.500 0.449 0.000 2.582 260 R HA 0.117 4.458 4.340 0.001 0.000 0.271 260 R C 1.132 177.754 176.300 0.536 0.000 1.078 260 R CA -0.509 55.910 56.100 0.530 0.000 1.127 260 R CB 0.603 31.077 30.300 0.290 0.000 1.038 260 R HN 0.445 nan 8.270 nan 0.000 0.500 261 F N 2.348 122.487 119.950 0.314 0.000 2.216 261 F HA -0.132 4.396 4.527 0.000 0.000 0.300 261 F C 1.699 177.479 175.800 -0.034 0.000 1.085 261 F CA 1.446 59.461 58.000 0.025 0.000 1.326 261 F CB -0.222 38.708 39.000 -0.117 0.000 1.027 261 F HN 0.320 nan 8.300 nan 0.000 0.497 262 V N -1.302 118.630 119.914 0.030 0.000 3.592 262 V HA 0.380 4.500 4.120 0.001 0.000 0.272 262 V C 1.624 177.704 176.094 -0.022 0.000 1.228 262 V CA 0.864 63.104 62.300 -0.100 0.000 1.173 262 V CB -0.726 31.058 31.823 -0.066 0.000 0.873 262 V HN 0.606 nan 8.190 nan 0.000 0.476 263 G N -0.006 108.832 108.800 0.062 0.000 2.284 263 G HA2 -0.217 3.743 3.960 0.001 0.000 0.216 263 G HA3 -0.217 3.743 3.960 0.001 0.000 0.216 263 G C 0.093 175.050 174.900 0.094 0.000 1.009 263 G CA 0.125 45.268 45.100 0.073 0.000 0.625 263 G HN 0.811 nan 8.290 nan 0.000 0.501 264 M N 0.550 120.210 119.600 0.099 0.000 2.598 264 M HA 0.792 5.273 4.480 0.001 0.000 0.317 264 M C -0.237 176.137 176.300 0.124 0.000 1.201 264 M CA -0.896 54.461 55.300 0.095 0.000 0.971 264 M CB 0.923 33.565 32.600 0.070 0.000 1.657 264 M HN 0.064 nan 8.290 nan 0.000 0.470 265 K N 1.075 121.539 120.400 0.107 0.000 2.237 265 K HA 0.469 4.789 4.320 0.001 0.000 0.270 265 K C -0.517 176.146 176.600 0.106 0.000 1.015 265 K CA -0.185 56.171 56.287 0.115 0.000 0.949 265 K CB 1.102 33.657 32.500 0.091 0.000 0.976 265 K HN 0.779 nan 8.250 nan 0.000 0.472 266 S N 1.377 117.148 115.700 0.118 0.000 2.548 266 S HA 0.263 4.733 4.470 0.001 0.000 0.276 266 S C -1.346 173.306 174.600 0.086 0.000 1.129 266 S CA -0.920 57.339 58.200 0.098 0.000 0.931 266 S CB 1.158 64.427 63.200 0.115 0.000 1.068 266 S HN 0.504 nan 8.310 nan 0.000 0.480 267 R N 2.956 123.487 120.500 0.051 0.000 2.196 267 R HA 0.507 4.847 4.340 0.001 0.000 0.340 267 R C -0.029 176.260 176.300 -0.019 0.000 1.043 267 R CA -0.067 56.048 56.100 0.026 0.000 0.883 267 R CB 0.206 30.514 30.300 0.013 0.000 1.078 267 R HN 0.790 nan 8.270 nan 0.000 0.462 268 G N 2.040 110.828 108.800 -0.019 0.000 2.482 268 G HA2 0.535 4.495 3.960 0.001 0.000 0.317 268 G HA3 0.535 4.495 3.960 0.001 0.000 0.317 268 G C -1.351 173.344 174.900 -0.341 0.000 1.241 268 G CA -0.378 44.598 45.100 -0.206 0.000 0.967 268 G HN 0.359 nan 8.290 nan 0.000 0.482 269 V N 1.496 121.039 119.914 -0.618 0.000 2.540 269 V HA 0.605 4.725 4.120 0.001 0.000 0.302 269 V C -1.205 174.556 176.094 -0.554 0.000 1.035 269 V CA -0.681 61.397 62.300 -0.370 0.000 0.873 269 V CB 1.098 32.760 31.823 -0.268 0.000 0.992 269 V HN 0.688 nan 8.190 nan 0.000 0.428 270 Y N 1.887 122.321 120.300 0.223 0.000 2.524 270 Y HA 0.630 5.180 4.550 0.000 0.000 0.347 270 Y C 0.048 176.146 175.900 0.330 0.000 1.005 270 Y CA -1.144 57.117 58.100 0.269 0.000 1.025 270 Y CB 2.008 40.676 38.460 0.348 0.000 1.275 270 Y HN 0.735 nan 8.280 nan 0.000 0.460 271 E N -0.070 120.407 120.200 0.461 0.000 2.216 271 E HA 0.604 4.955 4.350 0.001 0.000 0.260 271 E C -1.375 175.414 176.600 0.314 0.000 0.880 271 E CA -1.046 55.561 56.400 0.344 0.000 0.765 271 E CB 1.658 31.581 29.700 0.372 0.000 1.174 271 E HN 0.537 nan 8.360 nan 0.000 0.417 272 T N 4.384 119.090 114.554 0.252 0.000 3.504 272 T HA 0.204 4.554 4.350 0.001 0.000 0.286 272 T C -1.916 172.871 174.700 0.146 0.000 1.530 272 T CA -1.152 61.082 62.100 0.224 0.000 1.652 272 T CB 0.685 69.678 68.868 0.209 0.000 0.895 272 T HN 0.366 nan 8.240 nan 0.000 0.674 273 P HA -0.176 nan 4.420 nan 0.000 0.212 273 P C 1.905 179.265 177.300 0.101 0.000 1.178 273 P CA 1.495 64.654 63.100 0.098 0.000 0.915 273 P CB -0.152 31.601 31.700 0.089 0.000 0.788 274 G N -0.232 108.629 108.800 0.102 0.000 2.446 274 G HA2 -0.215 3.745 3.960 0.001 0.000 0.217 274 G HA3 -0.215 3.745 3.960 0.001 0.000 0.217 274 G C 1.985 176.947 174.900 0.102 0.000 1.168 274 G CA 1.143 46.300 45.100 0.096 0.000 0.771 274 G HN 0.434 nan 8.290 nan 0.000 0.551 275 G N -0.067 108.793 108.800 0.101 0.000 2.422 275 G HA2 -0.130 3.830 3.960 0.001 0.000 0.218 275 G HA3 -0.130 3.830 3.960 0.001 0.000 0.218 275 G C 1.816 176.779 174.900 0.105 0.000 1.146 275 G CA 1.705 46.862 45.100 0.094 0.000 0.769 275 G HN 0.396 nan 8.290 nan 0.000 0.547 276 T N 1.059 115.674 114.554 0.102 0.000 2.821 276 T HA 0.029 4.379 4.350 0.001 0.000 0.267 276 T C 2.366 177.174 174.700 0.180 0.000 1.046 276 T CA 0.613 62.775 62.100 0.103 0.000 1.139 276 T CB -0.084 68.849 68.868 0.108 0.000 0.871 276 T HN 0.249 nan 8.240 nan 0.000 0.454 277 I N 0.689 121.358 120.570 0.165 0.000 2.252 277 I HA -0.103 4.067 4.170 0.001 0.000 0.245 277 I C 2.151 178.381 176.117 0.189 0.000 1.102 277 I CA 1.104 62.511 61.300 0.178 0.000 1.385 277 I CB -0.296 37.778 38.000 0.123 0.000 1.064 277 I HN 0.206 nan 8.210 nan 0.000 0.414 278 L N -0.639 120.683 121.223 0.165 0.000 2.141 278 L HA -0.250 4.091 4.340 0.001 0.000 0.209 278 L C 2.632 179.600 176.870 0.162 0.000 1.094 278 L CA 1.387 56.345 54.840 0.196 0.000 0.763 278 L CB -0.676 41.475 42.059 0.153 0.000 0.908 278 L HN 0.265 nan 8.230 nan 0.000 0.437 279 Y N 0.068 120.345 120.300 -0.038 0.000 2.145 279 Y HA -0.285 4.266 4.550 0.001 0.000 0.286 279 Y C 2.832 178.601 175.900 -0.218 0.000 1.145 279 Y CA 1.779 59.769 58.100 -0.184 0.000 1.148 279 Y CB -0.111 38.153 38.460 -0.327 0.000 0.981 279 Y HN 0.192 nan 8.280 nan 0.000 0.507 280 H N -0.755 118.420 119.070 0.176 0.000 2.462 280 H HA 0.064 4.620 4.556 0.001 0.000 0.292 280 H C 2.268 177.588 175.328 -0.014 0.000 1.049 280 H CA 0.972 57.066 56.048 0.077 0.000 1.334 280 H CB -0.457 29.376 29.762 0.118 0.000 1.404 280 H HN 0.522 nan 8.280 nan 0.000 0.544 281 A N 1.376 124.282 122.820 0.143 0.000 1.897 281 A HA -0.145 4.175 4.320 0.001 0.000 0.215 281 A C 2.513 180.017 177.584 -0.132 0.000 1.181 281 A CA 1.288 53.412 52.037 0.144 0.000 0.620 281 A CB -0.406 18.812 19.000 0.363 0.000 0.821 281 A HN 0.298 nan 8.150 nan 0.000 0.443 282 R N -0.234 120.056 120.500 -0.351 0.000 2.080 282 R HA -0.142 4.198 4.340 0.001 0.000 0.236 282 R C 2.308 178.269 176.300 -0.566 0.000 1.137 282 R CA 1.714 57.290 56.100 -0.874 0.000 0.943 282 R CB -0.317 29.587 30.300 -0.661 0.000 0.846 282 R HN 0.490 nan 8.270 nan 0.000 0.431 283 R N -0.080 120.168 120.500 -0.420 0.000 2.120 283 R HA -0.083 4.257 4.340 0.001 0.000 0.234 283 R C 2.303 178.485 176.300 -0.197 0.000 1.123 283 R CA 1.181 57.097 56.100 -0.308 0.000 0.975 283 R CB -0.297 29.836 30.300 -0.279 0.000 0.866 283 R HN 0.321 nan 8.270 nan 0.000 0.446 284 A N 0.691 123.419 122.820 -0.154 0.000 1.898 284 A HA -0.085 4.235 4.320 0.001 0.000 0.216 284 A C 2.317 179.824 177.584 -0.129 0.000 1.181 284 A CA 1.187 53.167 52.037 -0.094 0.000 0.620 284 A CB -0.332 18.650 19.000 -0.030 0.000 0.819 284 A HN 0.106 nan 8.150 nan 0.000 0.442 285 V N 0.118 119.909 119.914 -0.206 0.000 2.548 285 V HA -0.201 3.919 4.120 0.001 0.000 0.249 285 V C 2.288 178.259 176.094 -0.205 0.000 1.055 285 V CA 1.984 64.163 62.300 -0.201 0.000 1.065 285 V CB -0.762 30.884 31.823 -0.295 0.000 0.681 285 V HN 0.618 nan 8.190 nan 0.000 0.462 286 E N 0.832 120.879 120.200 -0.254 0.000 2.150 286 E HA -0.179 4.171 4.350 0.001 0.000 0.193 286 E C 2.308 178.828 176.600 -0.134 0.000 0.985 286 E CA 1.468 57.745 56.400 -0.205 0.000 0.814 286 E CB -0.227 29.337 29.700 -0.227 0.000 0.752 286 E HN 0.746 nan 8.360 nan 0.000 0.466 287 S N 0.469 116.099 115.700 -0.118 0.000 2.465 287 S HA -0.108 4.363 4.470 0.001 0.000 0.241 287 S C 1.833 176.394 174.600 -0.064 0.000 1.000 287 S CA 0.800 58.953 58.200 -0.079 0.000 0.964 287 S CB -0.134 63.022 63.200 -0.074 0.000 0.763 287 S HN 0.198 nan 8.310 nan 0.000 0.512 288 L N 0.766 121.947 121.223 -0.070 0.000 2.537 288 L HA 0.151 4.491 4.340 0.001 0.000 0.224 288 L C 2.564 179.410 176.870 -0.039 0.000 1.065 288 L CA 1.082 55.900 54.840 -0.037 0.000 0.860 288 L CB -0.239 41.800 42.059 -0.033 0.000 1.086 288 L HN 0.522 nan 8.230 nan 0.000 0.482 289 T N -2.700 111.810 114.554 -0.073 0.000 3.022 289 T HA 0.275 4.625 4.350 0.001 0.000 0.250 289 T C 0.643 175.287 174.700 -0.093 0.000 1.060 289 T CA -0.064 61.987 62.100 -0.082 0.000 1.013 289 T CB 0.101 68.907 68.868 -0.103 0.000 0.982 289 T HN -0.051 nan 8.240 nan 0.000 0.508 290 L N 2.320 123.486 121.223 -0.095 0.000 2.322 290 L HA 0.469 4.810 4.340 0.001 0.000 0.279 290 L C 0.098 176.920 176.870 -0.080 0.000 1.036 290 L CA -1.094 53.690 54.840 -0.094 0.000 0.807 290 L CB 1.475 43.472 42.059 -0.102 0.000 1.226 290 L HN 0.270 nan 8.230 nan 0.000 0.433 291 D N 2.724 123.077 120.400 -0.078 0.000 2.372 291 D HA -0.004 4.636 4.640 0.001 0.000 0.243 291 D C 1.005 177.232 176.300 -0.121 0.000 1.121 291 D CA -0.202 53.749 54.000 -0.081 0.000 0.898 291 D CB 1.357 42.118 40.800 -0.065 0.000 1.202 291 D HN 0.530 nan 8.370 nan 0.000 0.428 292 R N 2.124 122.529 120.500 -0.159 0.000 2.122 292 R HA -0.196 4.144 4.340 0.001 0.000 0.236 292 R C 1.611 177.614 176.300 -0.495 0.000 1.129 292 R CA 1.682 57.588 56.100 -0.324 0.000 0.925 292 R CB -0.035 30.103 30.300 -0.269 0.000 0.850 292 R HN 0.549 nan 8.270 nan 0.000 0.431 293 E N 0.049 120.081 120.200 -0.280 0.000 2.153 293 E HA -0.128 4.222 4.350 0.001 0.000 0.194 293 E C 2.124 178.689 176.600 -0.058 0.000 0.988 293 E CA 1.043 57.342 56.400 -0.168 0.000 0.811 293 E CB -0.171 29.494 29.700 -0.059 0.000 0.746 293 E HN 0.265 nan 8.360 nan 0.000 0.466 294 V N 1.595 121.482 119.914 -0.044 0.000 2.358 294 V HA -0.231 3.889 4.120 0.001 0.000 0.246 294 V C 2.447 178.575 176.094 0.056 0.000 1.047 294 V CA 1.456 63.774 62.300 0.029 0.000 1.035 294 V CB -0.511 31.307 31.823 -0.008 0.000 0.658 294 V HN 0.170 nan 8.190 nan 0.000 0.452 295 L N 0.051 121.268 121.223 -0.009 0.000 2.017 295 L HA -0.198 4.143 4.340 0.001 0.000 0.208 295 L C 2.389 179.366 176.870 0.177 0.000 1.073 295 L CA 2.137 57.008 54.840 0.051 0.000 0.745 295 L CB -0.985 41.086 42.059 0.020 0.000 0.894 295 L HN 0.456 nan 8.230 nan 0.000 0.432 296 H N -1.727 117.367 119.070 0.041 0.000 2.387 296 H HA -0.198 4.358 4.556 0.001 0.000 0.299 296 H C 2.130 177.490 175.328 0.054 0.000 1.099 296 H CA 1.067 57.139 56.048 0.040 0.000 1.315 296 H CB 0.184 29.964 29.762 0.031 0.000 1.380 296 H HN 0.427 nan 8.280 nan 0.000 0.513 297 Q N 1.137 121.054 119.800 0.194 0.000 2.046 297 Q HA -0.123 4.217 4.340 0.001 0.000 0.200 297 Q C 2.386 178.487 176.000 0.168 0.000 0.975 297 Q CA 1.066 56.948 55.803 0.130 0.000 0.836 297 Q CB -0.080 28.725 28.738 0.112 0.000 0.896 297 Q HN 0.109 nan 8.270 nan 0.000 0.428 298 R N 0.476 121.148 120.500 0.287 0.000 2.096 298 R HA -0.158 4.182 4.340 0.001 0.000 0.240 298 R C 1.231 177.715 176.300 0.306 0.000 1.139 298 R CA 2.028 58.380 56.100 0.419 0.000 0.952 298 R CB -0.731 29.771 30.300 0.337 0.000 0.854 298 R HN 0.384 nan 8.270 nan 0.000 0.436 299 D N 0.019 120.527 120.400 0.180 0.000 2.218 299 D HA -0.126 4.514 4.640 0.001 0.000 0.204 299 D C 1.821 178.180 176.300 0.098 0.000 0.976 299 D CA 1.045 55.112 54.000 0.111 0.000 0.853 299 D CB -0.103 40.739 40.800 0.071 0.000 0.939 299 D HN 0.306 nan 8.370 nan 0.000 0.481 300 M N -0.499 119.158 119.600 0.095 0.000 2.562 300 M HA 0.047 4.527 4.480 0.001 0.000 0.257 300 M C 1.582 177.927 176.300 0.075 0.000 1.099 300 M CA 0.500 55.836 55.300 0.059 0.000 1.099 300 M CB 0.367 32.987 32.600 0.032 0.000 1.427 300 M HN -0.006 nan 8.290 nan 0.000 0.489 301 L N -1.887 119.421 121.223 0.141 0.000 2.470 301 L HA 0.060 4.401 4.340 0.001 0.000 0.219 301 L C 2.362 179.455 176.870 0.372 0.000 1.071 301 L CA 0.073 55.033 54.840 0.200 0.000 0.850 301 L CB -0.196 41.926 42.059 0.106 0.000 1.040 301 L HN 0.126 nan 8.230 nan 0.000 0.475 302 S N 1.007 116.893 115.700 0.310 0.000 2.368 302 S HA -0.152 4.318 4.470 0.001 0.000 0.226 302 S C -0.544 174.138 174.600 0.137 0.000 1.044 302 S CA 1.897 60.167 58.200 0.117 0.000 1.062 302 S CB -1.056 62.137 63.200 -0.012 0.000 0.931 302 S HN 0.268 nan 8.310 nan 0.000 0.440 303 P HA -0.105 nan 4.420 nan 0.000 0.216 303 P C 1.327 178.689 177.300 0.102 0.000 1.150 303 P CA 1.170 64.315 63.100 0.074 0.000 0.837 303 P CB 0.066 31.781 31.700 0.025 0.000 0.786 304 K N -0.879 119.599 120.400 0.130 0.000 2.025 304 K HA -0.172 4.148 4.320 0.001 0.000 0.207 304 K C 2.154 178.842 176.600 0.146 0.000 1.049 304 K CA 1.410 57.763 56.287 0.109 0.000 0.933 304 K CB -1.471 31.090 32.500 0.102 0.000 0.714 304 K HN 0.071 nan 8.250 nan 0.000 0.438 305 Y N 0.268 120.642 120.300 0.123 0.000 2.224 305 Y HA -0.189 4.361 4.550 0.000 0.000 0.289 305 Y C 1.836 177.772 175.900 0.060 0.000 1.146 305 Y CA 1.758 59.939 58.100 0.136 0.000 1.182 305 Y CB -0.347 38.251 38.460 0.230 0.000 0.983 305 Y HN 0.148 nan 8.280 nan 0.000 0.524 306 A N 0.963 123.933 122.820 0.250 0.000 1.877 306 A HA -0.257 4.064 4.320 0.001 0.000 0.216 306 A C 2.087 179.682 177.584 0.018 0.000 1.186 306 A CA 1.952 54.083 52.037 0.156 0.000 0.620 306 A CB -0.905 18.199 19.000 0.174 0.000 0.822 306 A HN 0.741 nan 8.150 nan 0.000 0.443 307 E N 0.094 120.280 120.200 -0.023 0.000 2.204 307 E HA -0.110 4.240 4.350 0.001 0.000 0.194 307 E C 1.864 178.158 176.600 -0.510 0.000 0.989 307 E CA 0.971 57.149 56.400 -0.370 0.000 0.824 307 E CB -0.492 28.956 29.700 -0.421 0.000 0.756 307 E HN 0.590 nan 8.360 nan 0.000 0.477 308 L N 1.085 122.177 121.223 -0.219 0.000 2.017 308 L HA -0.174 4.166 4.340 0.001 0.000 0.208 308 L C 2.602 179.461 176.870 -0.020 0.000 1.073 308 L CA 1.011 55.808 54.840 -0.071 0.000 0.745 308 L CB -0.455 41.529 42.059 -0.125 0.000 0.894 308 L HN 0.101 nan 8.230 nan 0.000 0.432 309 V N -0.968 118.878 119.914 -0.113 0.000 2.295 309 V HA -0.347 3.774 4.120 0.001 0.000 0.246 309 V C 2.231 178.283 176.094 -0.070 0.000 1.049 309 V CA 1.945 64.224 62.300 -0.035 0.000 1.024 309 V CB -0.720 31.078 31.823 -0.042 0.000 0.648 309 V HN 0.367 nan 8.190 nan 0.000 0.447 310 Y N -0.066 120.048 120.300 -0.309 0.000 2.128 310 Y HA -0.291 4.259 4.550 0.001 0.000 0.284 310 Y C 2.462 178.257 175.900 -0.175 0.000 1.154 310 Y CA 1.914 59.782 58.100 -0.386 0.000 1.149 310 Y CB -0.399 37.485 38.460 -0.960 0.000 0.976 310 Y HN 0.282 nan 8.280 nan 0.000 0.505 311 Y N -0.418 119.743 120.300 -0.233 0.000 2.352 311 Y HA 0.100 4.650 4.550 0.000 0.000 0.292 311 Y C 2.286 177.957 175.900 -0.382 0.000 1.136 311 Y CA 0.751 58.562 58.100 -0.482 0.000 1.227 311 Y CB -0.773 37.203 38.460 -0.807 0.000 0.991 311 Y HN 0.309 nan 8.280 nan 0.000 0.545 312 G N -1.799 106.921 108.800 -0.134 0.000 2.159 312 G HA2 -0.228 3.733 3.960 0.001 0.000 0.170 312 G HA3 -0.228 3.733 3.960 0.001 0.000 0.170 312 G C -0.027 174.740 174.900 -0.221 0.000 1.007 312 G CA -0.464 44.514 45.100 -0.204 0.000 0.672 312 G HN 0.211 nan 8.290 nan 0.000 0.507 313 F N 1.167 121.163 119.950 0.077 0.000 2.660 313 F HA 0.378 4.905 4.527 0.001 0.000 0.342 313 F C 1.559 177.390 175.800 0.051 0.000 1.195 313 F CA -0.699 57.347 58.000 0.077 0.000 1.300 313 F CB -0.019 39.001 39.000 0.034 0.000 1.616 313 F HN 0.371 nan 8.300 nan 0.000 0.592 314 W N 0.167 121.468 121.300 0.001 0.000 2.501 314 W HA -0.099 4.561 4.660 0.000 0.000 0.309 314 W C 0.153 176.565 176.519 -0.178 0.000 1.165 314 W CA 0.986 58.240 57.345 -0.151 0.000 1.381 314 W CB -0.250 29.077 29.460 -0.222 0.000 1.142 314 W HN 0.142 nan 8.180 nan 0.000 0.509 315 Y N 1.374 121.740 120.300 0.110 0.000 2.830 315 Y HA 0.429 4.979 4.550 0.001 0.000 0.371 315 Y C 0.417 176.344 175.900 0.046 0.000 1.246 315 Y CA -0.218 57.887 58.100 0.008 0.000 1.890 315 Y CB -0.668 37.867 38.460 0.124 0.000 1.995 315 Y HN -0.118 nan 8.280 nan 0.000 0.430 316 A N 1.411 124.283 122.820 0.086 0.000 2.435 316 A HA 0.520 4.840 4.320 0.001 0.000 0.304 316 A C -1.915 175.677 177.584 0.013 0.000 1.064 316 A CA -1.805 50.308 52.037 0.127 0.000 0.727 316 A CB 1.584 20.738 19.000 0.256 0.000 1.284 316 A HN 0.164 nan 8.150 nan 0.000 0.415 317 P HA -0.198 nan 4.420 nan 0.000 0.216 317 P C 0.600 177.874 177.300 -0.042 0.000 1.150 317 P CA 1.622 64.713 63.100 -0.014 0.000 0.837 317 P CB 0.280 31.981 31.700 0.001 0.000 0.786 318 E N 0.187 120.355 120.200 -0.053 0.000 2.058 318 E HA -0.171 4.179 4.350 0.001 0.000 0.194 318 E C 2.399 178.963 176.600 -0.060 0.000 0.997 318 E CA 1.002 57.361 56.400 -0.068 0.000 0.801 318 E CB -0.894 28.744 29.700 -0.105 0.000 0.746 318 E HN 0.150 nan 8.360 nan 0.000 0.450 319 R N 1.096 121.538 120.500 -0.096 0.000 2.081 319 R HA -0.156 4.184 4.340 0.001 0.000 0.235 319 R C 1.859 178.083 176.300 -0.125 0.000 1.131 319 R CA 1.655 57.661 56.100 -0.155 0.000 0.960 319 R CB -0.106 30.001 30.300 -0.322 0.000 0.856 319 R HN 0.312 nan 8.270 nan 0.000 0.436 320 E N -0.110 119.991 120.200 -0.165 0.000 2.153 320 E HA -0.143 4.207 4.350 0.001 0.000 0.194 320 E C 1.923 178.494 176.600 -0.049 0.000 0.988 320 E CA 1.057 57.376 56.400 -0.136 0.000 0.811 320 E CB -0.076 29.549 29.700 -0.126 0.000 0.746 320 E HN 0.415 nan 8.360 nan 0.000 0.466 321 A N 1.362 124.159 122.820 -0.039 0.000 1.873 321 A HA -0.109 4.212 4.320 0.001 0.000 0.215 321 A C 2.195 179.766 177.584 -0.022 0.000 1.186 321 A CA 0.861 52.879 52.037 -0.032 0.000 0.616 321 A CB -0.547 18.426 19.000 -0.045 0.000 0.823 321 A HN 0.124 nan 8.150 nan 0.000 0.442 322 L N -1.020 120.207 121.223 0.007 0.000 2.141 322 L HA -0.210 4.131 4.340 0.001 0.000 0.209 322 L C 2.820 179.732 176.870 0.069 0.000 1.094 322 L CA 1.540 56.372 54.840 -0.014 0.000 0.763 322 L CB -0.382 41.792 42.059 0.192 0.000 0.908 322 L HN 0.453 nan 8.230 nan 0.000 0.437 323 Q N 0.234 120.160 119.800 0.211 0.000 2.124 323 Q HA -0.183 4.157 4.340 0.001 0.000 0.202 323 Q C 2.192 178.258 176.000 0.110 0.000 0.977 323 Q CA 1.944 57.887 55.803 0.233 0.000 0.850 323 Q CB -0.198 28.606 28.738 0.110 0.000 0.901 323 Q HN 0.456 nan 8.270 nan 0.000 0.429 324 A N -0.789 122.058 122.820 0.045 0.000 1.933 324 A HA -0.199 4.121 4.320 0.001 0.000 0.218 324 A C 1.962 179.560 177.584 0.022 0.000 1.175 324 A CA 1.529 53.582 52.037 0.026 0.000 0.628 324 A CB -0.980 18.023 19.000 0.005 0.000 0.814 324 A HN 0.614 nan 8.150 nan 0.000 0.444 325 Y N -0.570 119.638 120.300 -0.154 0.000 2.109 325 Y HA -0.166 4.385 4.550 0.001 0.000 0.285 325 Y C 2.006 177.826 175.900 -0.134 0.000 1.131 325 Y CA 1.764 59.727 58.100 -0.228 0.000 1.121 325 Y CB -0.635 37.552 38.460 -0.454 0.000 0.987 325 Y HN 0.291 nan 8.280 nan 0.000 0.495 326 F N 0.524 120.446 119.950 -0.047 0.000 2.161 326 F HA -0.268 4.259 4.527 0.000 0.000 0.300 326 F C 2.111 177.798 175.800 -0.188 0.000 1.089 326 F CA 1.223 59.119 58.000 -0.173 0.000 1.282 326 F CB -0.291 38.606 39.000 -0.170 0.000 1.010 326 F HN 0.108 nan 8.300 nan 0.000 0.485 327 D N -1.236 119.201 120.400 0.061 0.000 2.144 327 D HA -0.183 4.458 4.640 0.001 0.000 0.200 327 D C 1.846 178.109 176.300 -0.061 0.000 0.978 327 D CA 1.297 55.296 54.000 -0.002 0.000 0.833 327 D CB -0.545 40.267 40.800 0.019 0.000 0.961 327 D HN 0.346 nan 8.370 nan 0.000 0.470 328 H N 0.258 119.233 119.070 -0.157 0.000 2.321 328 H HA -0.071 4.486 4.556 0.001 0.000 0.300 328 H C 1.927 177.119 175.328 -0.227 0.000 1.087 328 H CA 1.682 57.619 56.048 -0.185 0.000 1.319 328 H CB -0.169 29.466 29.762 -0.211 0.000 1.379 328 H HN -0.094 nan 8.280 nan 0.000 0.501 329 V N 0.746 120.523 119.914 -0.227 0.000 2.295 329 V HA -0.257 3.863 4.120 0.001 0.000 0.246 329 V C 2.712 178.671 176.094 -0.226 0.000 1.049 329 V CA 1.738 63.886 62.300 -0.253 0.000 1.024 329 V CB -1.227 30.421 31.823 -0.291 0.000 0.648 329 V HN 0.708 nan 8.190 nan 0.000 0.447 330 A N -0.273 122.435 122.820 -0.185 0.000 2.070 330 A HA -0.234 4.086 4.320 0.001 0.000 0.220 330 A C 2.358 179.817 177.584 -0.207 0.000 1.159 330 A CA 1.701 53.629 52.037 -0.182 0.000 0.656 330 A CB -0.661 18.252 19.000 -0.144 0.000 0.800 330 A HN 0.493 nan 8.150 nan 0.000 0.453 331 R N -0.146 120.213 120.500 -0.236 0.000 2.200 331 R HA -0.085 4.256 4.340 0.001 0.000 0.234 331 R C 1.556 177.692 176.300 -0.272 0.000 1.127 331 R CA 1.517 57.460 56.100 -0.262 0.000 0.989 331 R CB -0.167 29.964 30.300 -0.280 0.000 0.869 331 R HN 0.469 nan 8.270 nan 0.000 0.459 332 S N -0.327 115.225 115.700 -0.248 0.000 2.496 332 S HA 0.057 4.528 4.470 0.001 0.000 0.224 332 S C 0.346 174.834 174.600 -0.186 0.000 0.996 332 S CA 0.096 58.171 58.200 -0.208 0.000 0.927 332 S CB 0.621 63.710 63.200 -0.185 0.000 0.774 332 S HN 0.028 nan 8.310 nan 0.000 0.524 333 V N 3.633 123.427 119.914 -0.201 0.000 2.302 333 V HA 0.187 4.308 4.120 0.001 0.000 0.244 333 V C -0.026 175.989 176.094 -0.131 0.000 1.160 333 V CA 0.331 62.514 62.300 -0.196 0.000 1.127 333 V CB -0.584 31.080 31.823 -0.266 0.000 1.253 333 V HN 0.188 nan 8.190 nan 0.000 0.496 334 T N 3.270 117.771 114.554 -0.088 0.000 2.881 334 T HA 0.790 5.140 4.350 0.001 0.000 0.291 334 T C 0.334 175.059 174.700 0.042 0.000 0.990 334 T CA 0.080 62.183 62.100 0.004 0.000 0.976 334 T CB 1.777 70.625 68.868 -0.033 0.000 0.970 334 T HN 0.929 nan 8.240 nan 0.000 0.438 335 G N 1.282 110.148 108.800 0.110 0.000 2.344 335 G HA2 0.452 4.412 3.960 0.001 0.000 0.282 335 G HA3 0.452 4.412 3.960 0.001 0.000 0.282 335 G C -2.170 172.811 174.900 0.135 0.000 1.281 335 G CA -0.504 44.649 45.100 0.088 0.000 0.877 335 G HN 0.723 nan 8.290 nan 0.000 0.494 336 V N 0.280 120.253 119.914 0.098 0.000 2.709 336 V HA 0.803 4.923 4.120 0.001 0.000 0.308 336 V C 0.273 176.426 176.094 0.097 0.000 1.062 336 V CA -0.076 62.292 62.300 0.114 0.000 0.901 336 V CB 1.415 33.281 31.823 0.070 0.000 1.003 336 V HN 1.790 nan 8.190 nan 0.000 0.425 337 A N 4.409 127.310 122.820 0.136 0.000 2.337 337 A HA 0.892 5.212 4.320 0.001 0.000 0.329 337 A C -0.364 177.280 177.584 0.100 0.000 1.146 337 A CA -0.728 51.373 52.037 0.105 0.000 0.800 337 A CB 1.120 20.201 19.000 0.136 0.000 1.220 337 A HN 0.830 nan 8.150 nan 0.000 0.472 338 R N 2.314 122.866 120.500 0.085 0.000 2.409 338 R HA 0.625 4.965 4.340 0.001 0.000 0.313 338 R C -1.827 174.550 176.300 0.129 0.000 0.953 338 R CA -0.409 55.753 56.100 0.104 0.000 0.849 338 R CB 0.560 30.908 30.300 0.081 0.000 1.171 338 R HN 0.636 nan 8.270 nan 0.000 0.458 339 L N 2.859 124.166 121.223 0.139 0.000 2.333 339 L HA 0.553 4.894 4.340 0.001 0.000 0.269 339 L C -0.434 176.488 176.870 0.086 0.000 1.010 339 L CA -0.685 54.224 54.840 0.115 0.000 0.818 339 L CB 1.791 43.901 42.059 0.085 0.000 1.306 339 L HN 0.461 nan 8.230 nan 0.000 0.430 340 K N 2.200 122.609 120.400 0.016 0.000 2.307 340 K HA 0.639 4.959 4.320 0.001 0.000 0.263 340 K C -1.517 175.029 176.600 -0.090 0.000 0.973 340 K CA -0.450 55.715 56.287 -0.204 0.000 0.846 340 K CB 0.857 33.190 32.500 -0.279 0.000 1.100 340 K HN 0.535 nan 8.250 nan 0.000 0.438 341 L N 4.649 125.735 121.223 -0.228 0.000 2.309 341 L HA 0.516 4.856 4.340 0.001 0.000 0.282 341 L C -0.913 175.839 176.870 -0.198 0.000 1.036 341 L CA -1.116 53.564 54.840 -0.266 0.000 0.806 341 L CB 0.838 42.591 42.059 -0.509 0.000 1.220 341 L HN 0.644 nan 8.230 nan 0.000 0.429 342 Y N 3.369 123.585 120.300 -0.140 0.000 2.314 342 Y HA 0.152 4.702 4.550 0.001 0.000 0.317 342 Y C -0.669 175.282 175.900 0.085 0.000 1.234 342 Y CA -1.424 56.689 58.100 0.021 0.000 1.111 342 Y CB 0.954 39.441 38.460 0.046 0.000 1.283 342 Y HN 0.538 nan 8.280 nan 0.000 0.418 343 K N 4.705 124.821 120.400 -0.475 0.000 3.451 343 K HA -0.209 4.112 4.320 0.001 0.000 0.273 343 K C 0.935 177.419 176.600 -0.194 0.000 0.944 343 K CA 1.415 57.445 56.287 -0.430 0.000 0.734 343 K CB -1.669 30.411 32.500 -0.701 0.000 1.437 343 K HN 1.730 nan 8.250 nan 0.000 0.454 344 G N -0.785 107.948 108.800 -0.112 0.000 2.184 344 G HA2 -0.343 3.617 3.960 0.001 0.000 0.264 344 G HA3 -0.343 3.617 3.960 0.001 0.000 0.264 344 G C 0.128 174.956 174.900 -0.120 0.000 0.975 344 G CA 0.522 45.557 45.100 -0.107 0.000 0.642 344 G HN 0.507 nan 8.290 nan 0.000 0.536 345 N N -0.633 117.980 118.700 -0.145 0.000 2.432 345 N HA 0.681 5.422 4.740 0.001 0.000 0.292 345 N C -0.601 174.690 175.510 -0.365 0.000 1.193 345 N CA -0.299 52.563 53.050 -0.313 0.000 0.878 345 N CB 2.057 40.246 38.487 -0.497 0.000 1.252 345 N HN 0.163 nan 8.380 nan 0.000 0.520 346 V N 2.926 122.538 119.914 -0.504 0.000 2.409 346 V HA 0.386 4.507 4.120 0.001 0.000 0.290 346 V C -1.291 174.510 176.094 -0.489 0.000 1.017 346 V CA -0.618 61.473 62.300 -0.349 0.000 0.841 346 V CB 0.487 32.214 31.823 -0.161 0.000 1.003 346 V HN 0.501 nan 8.190 nan 0.000 0.426 347 Y N 2.949 123.184 120.300 -0.107 0.000 2.335 347 Y HA 0.539 5.090 4.550 0.000 0.000 0.338 347 Y C 0.268 176.132 175.900 -0.060 0.000 0.977 347 Y CA -0.983 57.059 58.100 -0.097 0.000 1.114 347 Y CB 1.863 40.278 38.460 -0.076 0.000 1.182 347 Y HN 0.369 nan 8.280 nan 0.000 0.463 348 V N 4.913 124.880 119.914 0.089 0.000 2.508 348 V HA 0.041 4.162 4.120 0.001 0.000 0.281 348 V C 0.723 176.870 176.094 0.089 0.000 1.041 348 V CA 0.148 62.494 62.300 0.076 0.000 1.016 348 V CB 0.911 32.762 31.823 0.047 0.000 0.984 348 V HN 0.843 nan 8.190 nan 0.000 0.478 349 V N 1.868 121.839 119.914 0.096 0.000 3.548 349 V HA 0.737 4.858 4.120 0.001 0.000 0.279 349 V C 0.592 176.716 176.094 0.050 0.000 1.446 349 V CA 0.697 63.049 62.300 0.087 0.000 1.023 349 V CB 0.279 32.202 31.823 0.168 0.000 0.820 349 V HN 0.914 nan 8.190 nan 0.000 0.438 350 G N 0.975 109.802 108.800 0.044 0.000 2.646 350 G HA2 0.721 4.681 3.960 0.001 0.000 0.291 350 G HA3 0.721 4.681 3.960 0.001 0.000 0.291 350 G C -1.648 173.256 174.900 0.008 0.000 1.445 350 G CA -0.599 44.507 45.100 0.011 0.000 0.814 350 G HN 0.610 nan 8.290 nan 0.000 0.495 351 R N -0.031 120.459 120.500 -0.016 0.000 2.664 351 R HA 0.610 4.951 4.340 0.001 0.000 0.260 351 R C -1.550 174.737 176.300 -0.023 0.000 1.062 351 R CA -0.917 55.175 56.100 -0.014 0.000 0.902 351 R CB 0.967 31.247 30.300 -0.033 0.000 1.258 351 R HN 0.974 nan 8.270 nan 0.000 0.465 352 K N 0.770 121.168 120.400 -0.003 0.000 2.536 352 K HA 0.897 5.217 4.320 0.001 0.000 0.269 352 K C -1.593 175.014 176.600 0.012 0.000 0.965 352 K CA -0.942 55.346 56.287 0.003 0.000 0.860 352 K CB 2.613 35.119 32.500 0.010 0.000 1.423 352 K HN 0.813 nan 8.250 nan 0.000 0.438 353 A N 1.191 124.020 122.820 0.015 0.000 2.517 353 A HA 0.496 4.817 4.320 0.001 0.000 0.297 353 A C -2.350 175.246 177.584 0.020 0.000 1.050 353 A CA -1.204 50.842 52.037 0.016 0.000 0.694 353 A CB 1.386 20.384 19.000 -0.003 0.000 1.277 353 A HN 0.647 nan 8.150 nan 0.000 0.400 354 P HA -0.067 nan 4.420 nan 0.000 0.222 354 P C 0.278 177.585 177.300 0.012 0.000 1.147 354 P CA 1.260 64.374 63.100 0.023 0.000 0.790 354 P CB 0.228 31.950 31.700 0.036 0.000 0.780 355 K N -0.074 120.329 120.400 0.003 0.000 3.202 355 K HA 0.227 4.547 4.320 0.001 0.000 0.206 355 K C 0.209 176.803 176.600 -0.010 0.000 1.142 355 K CA -0.242 56.040 56.287 -0.008 0.000 0.979 355 K CB 0.655 33.142 32.500 -0.021 0.000 0.863 355 K HN -0.100 nan 8.250 nan 0.000 0.479 356 S N 0.564 116.267 115.700 0.006 0.000 2.568 356 S HA 0.117 4.587 4.470 0.001 0.000 0.282 356 S C 1.000 175.613 174.600 0.021 0.000 1.338 356 S CA -0.245 57.968 58.200 0.021 0.000 1.045 356 S CB 0.433 63.667 63.200 0.057 0.000 0.873 356 S HN 0.424 nan 8.310 nan 0.000 0.516 357 L N 3.292 124.531 121.223 0.027 0.000 2.607 357 L HA 0.257 4.597 4.340 0.001 0.000 0.228 357 L C 0.198 177.088 176.870 0.034 0.000 1.123 357 L CA -0.192 54.654 54.840 0.009 0.000 0.890 357 L CB -0.183 41.870 42.059 -0.010 0.000 1.103 357 L HN 0.694 nan 8.230 nan 0.000 0.468 358 Y N 2.108 122.377 120.300 -0.051 0.000 2.359 358 Y HA 0.296 4.846 4.550 0.001 0.000 0.330 358 Y C 0.102 175.971 175.900 -0.052 0.000 1.143 358 Y CA -0.435 57.633 58.100 -0.053 0.000 1.318 358 Y CB 0.440 38.873 38.460 -0.045 0.000 1.234 358 Y HN -0.037 nan 8.280 nan 0.000 0.522 359 R N 5.785 125.818 120.500 -0.778 0.000 2.468 359 R HA 0.086 4.426 4.340 0.001 0.000 0.302 359 R C 0.711 176.488 176.300 -0.872 0.000 1.041 359 R CA -0.535 55.195 56.100 -0.616 0.000 0.899 359 R CB 1.564 31.670 30.300 -0.323 0.000 1.167 359 R HN 0.887 nan 8.270 nan 0.000 0.483 360 Q N 1.774 121.117 119.800 -0.761 0.000 2.181 360 Q HA -0.215 4.125 4.340 0.001 0.000 0.205 360 Q C 0.923 176.749 176.000 -0.290 0.000 0.980 360 Q CA 2.360 57.885 55.803 -0.463 0.000 0.862 360 Q CB 0.234 28.902 28.738 -0.116 0.000 0.905 360 Q HN 0.633 nan 8.270 nan 0.000 0.429 361 D N -0.123 120.128 120.400 -0.247 0.000 2.350 361 D HA -0.176 4.464 4.640 0.001 0.000 0.216 361 D C 1.533 177.699 176.300 -0.224 0.000 0.968 361 D CA 0.736 54.625 54.000 -0.186 0.000 0.894 361 D CB -0.310 40.409 40.800 -0.135 0.000 0.909 361 D HN 0.416 nan 8.370 nan 0.000 0.520 362 L N 0.113 121.162 121.223 -0.292 0.000 2.446 362 L HA 0.050 4.390 4.340 0.001 0.000 0.219 362 L C 2.031 178.671 176.870 -0.383 0.000 1.116 362 L CA 0.386 55.030 54.840 -0.326 0.000 0.844 362 L CB 0.205 42.072 42.059 -0.320 0.000 0.970 362 L HN 0.116 nan 8.230 nan 0.000 0.457 363 V N -5.685 114.040 119.914 -0.314 0.000 3.484 363 V HA 0.214 4.335 4.120 0.001 0.000 0.252 363 V C 1.204 177.128 176.094 -0.283 0.000 1.282 363 V CA -0.029 62.110 62.300 -0.268 0.000 1.104 363 V CB 0.053 31.821 31.823 -0.091 0.000 0.868 363 V HN 0.278 nan 8.190 nan 0.000 0.457 364 S N 0.779 116.357 115.700 -0.203 0.000 2.585 364 S HA 0.598 5.068 4.470 0.001 0.000 0.273 364 S C -0.536 173.916 174.600 -0.247 0.000 1.339 364 S CA -0.279 57.859 58.200 -0.104 0.000 1.028 364 S CB 0.513 63.696 63.200 -0.027 0.000 0.906 364 S HN 0.307 nan 8.310 nan 0.000 0.528 371 Y N 2.200 122.451 120.300 -0.083 0.000 2.363 371 Y HA 0.606 5.157 4.550 0.000 0.000 0.325 371 Y C -1.206 174.648 175.900 -0.076 0.000 0.984 371 Y CA -1.246 56.800 58.100 -0.091 0.000 1.248 371 Y CB 1.358 39.749 38.460 -0.116 0.000 1.116 371 Y HN 0.055 nan 8.280 nan 0.000 0.470 372 D N 3.524 123.652 120.400 -0.453 0.000 2.340 372 D HA 0.142 4.782 4.640 0.001 0.000 0.240 372 D C 0.357 176.455 176.300 -0.337 0.000 1.001 372 D CA -0.243 53.594 54.000 -0.272 0.000 0.888 372 D CB 2.132 42.831 40.800 -0.168 0.000 1.310 372 D HN 0.576 nan 8.370 nan 0.000 0.474 373 Q N 2.018 121.729 119.800 -0.149 0.000 2.002 373 Q HA -0.195 4.146 4.340 0.001 0.000 0.204 373 Q C 1.647 177.595 176.000 -0.087 0.000 0.988 373 Q CA 1.408 57.161 55.803 -0.085 0.000 0.843 373 Q CB -0.397 28.335 28.738 -0.010 0.000 0.908 373 Q HN 0.573 nan 8.270 nan 0.000 0.420 374 K N 0.578 120.936 120.400 -0.069 0.000 2.286 374 K HA -0.188 4.133 4.320 0.001 0.000 0.203 374 K C 1.238 177.801 176.600 -0.061 0.000 1.045 374 K CA 1.362 57.621 56.287 -0.047 0.000 0.935 374 K CB 0.100 32.578 32.500 -0.038 0.000 0.737 374 K HN 0.110 nan 8.250 nan 0.000 0.460 375 D N 0.383 120.706 120.400 -0.128 0.000 2.117 375 D HA -0.145 4.495 4.640 0.001 0.000 0.197 375 D C 1.787 178.047 176.300 -0.067 0.000 0.987 375 D CA 1.357 55.277 54.000 -0.134 0.000 0.829 375 D CB -0.250 40.390 40.800 -0.267 0.000 0.961 375 D HN 0.348 nan 8.370 nan 0.000 0.460 376 A N 1.013 123.778 122.820 -0.091 0.000 1.908 376 A HA -0.259 4.062 4.320 0.001 0.000 0.218 376 A C 2.127 179.792 177.584 0.135 0.000 1.181 376 A CA 2.040 54.106 52.037 0.049 0.000 0.627 376 A CB -0.671 18.370 19.000 0.067 0.000 0.818 376 A HN 0.331 nan 8.150 nan 0.000 0.445 377 E N -0.563 119.678 120.200 0.069 0.000 2.051 377 E HA -0.119 4.231 4.350 0.001 0.000 0.192 377 E C 2.064 178.704 176.600 0.067 0.000 0.991 377 E CA 1.211 57.649 56.400 0.063 0.000 0.799 377 E CB -0.511 29.208 29.700 0.032 0.000 0.748 377 E HN 0.482 nan 8.360 nan 0.000 0.449 378 G N 0.336 109.174 108.800 0.062 0.000 2.418 378 G HA2 -0.295 3.665 3.960 0.001 0.000 0.217 378 G HA3 -0.295 3.665 3.960 0.001 0.000 0.217 378 G C 1.343 176.302 174.900 0.099 0.000 1.158 378 G CA 0.711 45.846 45.100 0.058 0.000 0.771 378 G HN 0.383 nan 8.290 nan 0.000 0.545 379 F N 1.561 121.501 119.950 -0.018 0.000 2.046 379 F HA -0.059 4.468 4.527 0.001 0.000 0.297 379 F C 2.511 178.313 175.800 0.004 0.000 1.123 379 F CA 1.353 59.349 58.000 -0.005 0.000 1.199 379 F CB -0.355 38.646 39.000 0.001 0.000 0.972 379 F HN 0.104 nan 8.300 nan 0.000 0.474 380 I N 0.324 120.905 120.570 0.019 0.000 2.163 380 I HA -0.347 3.823 4.170 0.001 0.000 0.243 380 I C 2.467 178.518 176.117 -0.111 0.000 1.085 380 I CA 1.332 62.577 61.300 -0.092 0.000 1.347 380 I CB -0.566 37.460 38.000 0.044 0.000 1.044 380 I HN 0.106 nan 8.210 nan 0.000 0.408 381 K N 0.616 120.987 120.400 -0.050 0.000 2.009 381 K HA -0.147 4.174 4.320 0.001 0.000 0.210 381 K C 2.069 178.625 176.600 -0.073 0.000 1.049 381 K CA 1.422 57.681 56.287 -0.045 0.000 0.929 381 K CB -0.453 32.036 32.500 -0.018 0.000 0.714 381 K HN 0.273 nan 8.250 nan 0.000 0.440 382 I N 1.921 122.441 120.570 -0.085 0.000 2.226 382 I HA -0.242 3.929 4.170 0.001 0.000 0.245 382 I C 2.363 178.394 176.117 -0.142 0.000 1.100 382 I CA 1.339 62.584 61.300 -0.092 0.000 1.374 382 I CB -1.086 36.873 38.000 -0.068 0.000 1.057 382 I HN 0.237 nan 8.210 nan 0.000 0.413 383 Q N 0.462 120.110 119.800 -0.254 0.000 2.170 383 Q HA -0.094 4.246 4.340 0.001 0.000 0.203 383 Q C 2.305 178.208 176.000 -0.162 0.000 0.976 383 Q CA 1.733 57.369 55.803 -0.279 0.000 0.858 383 Q CB -0.281 28.167 28.738 -0.484 0.000 0.907 383 Q HN 0.558 nan 8.270 nan 0.000 0.433 384 A N 0.382 123.123 122.820 -0.131 0.000 2.067 384 A HA -0.061 4.259 4.320 0.001 0.000 0.217 384 A C 2.055 179.604 177.584 -0.057 0.000 1.156 384 A CA 0.317 52.306 52.037 -0.080 0.000 0.683 384 A CB -0.365 18.599 19.000 -0.061 0.000 0.808 384 A HN 0.282 nan 8.150 nan 0.000 0.455 385 L N 1.383 122.571 121.223 -0.058 0.000 1.976 385 L HA -0.295 4.045 4.340 0.001 0.000 0.223 385 L C 2.762 179.612 176.870 -0.034 0.000 1.081 385 L CA 2.850 57.665 54.840 -0.041 0.000 0.784 385 L CB -0.612 41.423 42.059 -0.039 0.000 0.896 385 L HN 0.626 nan 8.230 nan 0.000 0.438 386 R N -0.585 119.893 120.500 -0.037 0.000 2.127 386 R HA -0.175 4.165 4.340 0.001 0.000 0.238 386 R C 2.106 178.391 176.300 -0.025 0.000 1.134 386 R CA 2.017 58.100 56.100 -0.029 0.000 0.975 386 R CB -0.995 29.287 30.300 -0.029 0.000 0.865 386 R HN 0.485 nan 8.270 nan 0.000 0.447 387 L N 0.315 121.521 121.223 -0.030 0.000 2.109 387 L HA 0.001 4.342 4.340 0.001 0.000 0.207 387 L C 2.870 179.728 176.870 -0.019 0.000 1.086 387 L CA 1.073 55.899 54.840 -0.024 0.000 0.760 387 L CB -0.462 41.581 42.059 -0.027 0.000 0.910 387 L HN 0.163 nan 8.230 nan 0.000 0.437 388 R N -0.033 120.454 120.500 -0.021 0.000 2.073 388 R HA -0.108 4.232 4.340 0.001 0.000 0.234 388 R C 2.295 178.587 176.300 -0.014 0.000 1.134 388 R CA 1.265 57.355 56.100 -0.017 0.000 0.952 388 R CB -0.684 29.605 30.300 -0.018 0.000 0.850 388 R HN 0.203 nan 8.270 nan 0.000 0.433 389 V N 1.398 121.303 119.914 -0.015 0.000 2.287 389 V HA -0.290 3.830 4.120 0.001 0.000 0.248 389 V C 2.633 178.721 176.094 -0.011 0.000 1.053 389 V CA 1.925 64.217 62.300 -0.013 0.000 1.027 389 V CB -0.647 31.168 31.823 -0.014 0.000 0.646 389 V HN 0.355 nan 8.190 nan 0.000 0.447 390 R N 0.186 120.679 120.500 -0.012 0.000 2.080 390 R HA -0.219 4.121 4.340 0.001 0.000 0.236 390 R C 2.350 178.645 176.300 -0.008 0.000 1.137 390 R CA 1.965 58.059 56.100 -0.010 0.000 0.943 390 R CB -0.549 29.744 30.300 -0.011 0.000 0.846 390 R HN 0.482 nan 8.270 nan 0.000 0.431 391 A N 1.205 124.020 122.820 -0.009 0.000 1.883 391 A HA -0.168 4.152 4.320 0.001 0.000 0.217 391 A C 2.299 179.879 177.584 -0.006 0.000 1.186 391 A CA 1.503 53.536 52.037 -0.007 0.000 0.624 391 A CB -0.673 18.323 19.000 -0.007 0.000 0.822 391 A HN 0.372 nan 8.150 nan 0.000 0.444 392 L N -0.587 120.632 121.223 -0.007 0.000 2.012 392 L HA -0.201 4.139 4.340 0.001 0.000 0.210 392 L C 2.541 179.407 176.870 -0.005 0.000 1.073 392 L CA 1.357 56.194 54.840 -0.006 0.000 0.748 392 L CB -0.641 41.414 42.059 -0.007 0.000 0.891 392 L HN 0.258 nan 8.230 nan 0.000 0.431 393 V N -0.552 119.359 119.914 -0.006 0.000 2.407 393 V HA -0.226 3.894 4.120 0.001 0.000 0.248 393 V C 2.133 178.224 176.094 -0.004 0.000 1.055 393 V CA 1.464 63.761 62.300 -0.005 0.000 1.049 393 V CB -0.530 31.290 31.823 -0.006 0.000 0.662 393 V HN 0.435 nan 8.190 nan 0.000 0.455 394 E N -0.138 120.059 120.200 -0.004 0.000 2.526 394 E HA 0.023 4.373 4.350 0.001 0.000 0.198 394 E C 0.822 177.420 176.600 -0.003 0.000 1.091 394 E CA -0.049 56.349 56.400 -0.003 0.000 0.880 394 E CB -0.389 29.309 29.700 -0.003 0.000 0.873 394 E HN 0.591 nan 8.360 nan 0.000 0.527 395 R N 0.000 120.498 120.500 -0.003 0.000 2.786 395 R HA 0.000 4.340 4.340 0.001 0.000 0.208 395 R CA 0.000 56.098 56.100 -0.003 0.000 0.921 395 R CB 0.000 30.299 30.300 -0.002 0.000 0.687 395 R HN 0.000 nan 8.270 nan 0.000 0.535