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 1j20_1_D 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 0.000 176.305 176.300 0.008 0.000 1.140 1 M CA 0.000 55.312 55.300 0.019 0.000 0.988 1 M CB 0.000 32.626 32.600 0.043 0.000 1.302 2 K N 4.649 125.045 120.400 -0.006 0.000 2.203 2 K HA 0.832 5.153 4.320 0.002 0.000 0.251 2 K C -1.251 175.328 176.600 -0.035 0.000 0.944 2 K CA -0.762 55.517 56.287 -0.014 0.000 0.829 2 K CB 2.513 35.007 32.500 -0.010 0.000 1.125 2 K HN 0.599 nan 8.250 nan 0.000 0.430 3 I N 1.999 122.546 120.570 -0.039 0.000 2.534 3 I HA 0.201 4.372 4.170 0.002 0.000 0.288 3 I C -0.857 175.240 176.117 -0.033 0.000 1.077 3 I CA -1.171 60.092 61.300 -0.063 0.000 1.051 3 I CB 2.179 40.117 38.000 -0.103 0.000 1.234 3 I HN 0.202 nan 8.210 nan 0.000 0.425 4 V N 6.565 126.461 119.914 -0.030 0.000 2.364 4 V HA 0.320 4.441 4.120 0.002 0.000 0.272 4 V C -0.196 175.909 176.094 0.018 0.000 1.036 4 V CA -0.516 61.786 62.300 0.003 0.000 0.880 4 V CB 1.498 33.316 31.823 -0.008 0.000 0.991 4 V HN 0.424 nan 8.190 nan 0.000 0.460 5 L N 5.278 126.537 121.223 0.059 0.000 2.317 5 L HA 0.834 5.175 4.340 0.002 0.000 0.281 5 L C 0.525 177.491 176.870 0.159 0.000 1.024 5 L CA -0.225 54.660 54.840 0.075 0.000 0.810 5 L CB 1.463 43.572 42.059 0.083 0.000 1.240 5 L HN 0.674 nan 8.230 nan 0.000 0.427 6 A N 4.823 127.705 122.820 0.104 0.000 2.544 6 A HA 0.222 4.543 4.320 0.002 0.000 0.301 6 A C -1.109 176.551 177.584 0.127 0.000 1.368 6 A CA -0.063 52.055 52.037 0.134 0.000 1.045 6 A CB -0.991 17.995 19.000 -0.023 0.000 1.129 6 A HN 0.676 nan 8.150 nan 0.000 0.540 7 Y N 3.326 123.630 120.300 0.005 0.000 2.353 7 Y HA 0.360 4.911 4.550 0.002 0.000 0.340 7 Y C 1.254 177.118 175.900 -0.061 0.000 0.972 7 Y CA -0.241 57.850 58.100 -0.015 0.000 1.157 7 Y CB 1.550 40.012 38.460 0.003 0.000 1.157 7 Y HN 0.630 nan 8.280 nan 0.000 0.495 8 S N 2.723 118.106 115.700 -0.528 0.000 2.524 8 S HA 0.232 4.703 4.470 0.002 0.000 0.216 8 S C 1.476 175.709 174.600 -0.612 0.000 0.987 8 S CA 0.441 58.375 58.200 -0.443 0.000 0.909 8 S CB -0.144 62.899 63.200 -0.261 0.000 0.781 8 S HN 1.572 nan 8.310 nan 0.000 0.521 9 G N 0.297 108.336 108.800 -1.269 0.000 2.175 9 G HA2 -0.101 3.860 3.960 0.002 0.000 0.244 9 G HA3 -0.101 3.860 3.960 0.002 0.000 0.244 9 G C 0.477 175.169 174.900 -0.347 0.000 0.982 9 G CA -0.062 44.551 45.100 -0.812 0.000 0.641 9 G HN 1.062 nan 8.290 nan 0.000 0.527 10 G N -0.892 107.719 108.800 -0.315 0.000 2.588 10 G HA2 0.580 4.541 3.960 0.002 0.000 0.281 10 G HA3 0.580 4.541 3.960 0.002 0.000 0.281 10 G C 1.181 176.057 174.900 -0.040 0.000 1.236 10 G CA 0.103 45.128 45.100 -0.125 0.000 0.969 10 G HN 0.917 nan 8.290 nan 0.000 0.504 11 L N -0.629 120.593 121.223 -0.002 0.000 2.042 11 L HA -0.048 4.293 4.340 0.002 0.000 0.210 11 L C 2.057 178.960 176.870 0.055 0.000 1.076 11 L CA 2.326 57.181 54.840 0.026 0.000 0.749 11 L CB -0.521 41.541 42.059 0.006 0.000 0.893 11 L HN 0.476 nan 8.230 nan 0.000 0.432 12 D N -0.793 119.657 120.400 0.082 0.000 2.097 12 D HA -0.141 4.500 4.640 0.002 0.000 0.197 12 D C 2.187 178.602 176.300 0.191 0.000 0.984 12 D CA 2.041 56.138 54.000 0.162 0.000 0.826 12 D CB -0.473 40.509 40.800 0.304 0.000 0.973 12 D HN 0.553 nan 8.370 nan 0.000 0.460 13 T N -1.910 112.731 114.554 0.144 0.000 3.035 13 T HA 0.006 4.357 4.350 0.002 0.000 0.268 13 T C 2.061 176.975 174.700 0.357 0.000 1.109 13 T CA 0.819 63.038 62.100 0.197 0.000 1.119 13 T CB -0.056 68.843 68.868 0.051 0.000 0.900 13 T HN -0.126 nan 8.240 nan 0.000 0.503 14 S N 1.372 117.255 115.700 0.306 0.000 2.357 14 S HA 0.164 4.635 4.470 0.002 0.000 0.221 14 S C 1.951 176.692 174.600 0.235 0.000 1.031 14 S CA 0.725 59.133 58.200 0.348 0.000 0.982 14 S CB -0.387 62.954 63.200 0.234 0.000 0.853 14 S HN 0.461 nan 8.310 nan 0.000 0.458 15 I N 1.493 122.174 120.570 0.184 0.000 2.208 15 I HA -0.208 3.964 4.170 0.002 0.000 0.245 15 I C 1.997 178.294 176.117 0.301 0.000 1.097 15 I CA 1.283 62.698 61.300 0.191 0.000 1.363 15 I CB -0.404 37.588 38.000 -0.013 0.000 1.051 15 I HN 0.261 nan 8.210 nan 0.000 0.413 16 I N 0.314 121.066 120.570 0.303 0.000 2.286 16 I HA -0.303 3.868 4.170 0.002 0.000 0.248 16 I C 2.546 178.870 176.117 0.346 0.000 1.115 16 I CA 1.232 62.743 61.300 0.352 0.000 1.392 16 I CB -0.180 37.950 38.000 0.217 0.000 1.065 16 I HN 0.272 nan 8.210 nan 0.000 0.418 17 L N 0.651 122.031 121.223 0.261 0.000 2.017 17 L HA -0.236 4.105 4.340 0.002 0.000 0.208 17 L C 2.664 179.637 176.870 0.172 0.000 1.073 17 L CA 1.580 56.519 54.840 0.165 0.000 0.745 17 L CB -0.269 41.818 42.059 0.047 0.000 0.894 17 L HN 0.123 nan 8.230 nan 0.000 0.432 18 K N -0.829 119.682 120.400 0.186 0.000 2.025 18 K HA -0.246 4.075 4.320 0.002 0.000 0.207 18 K C 1.748 178.483 176.600 0.225 0.000 1.049 18 K CA 1.799 58.160 56.287 0.125 0.000 0.933 18 K CB -0.783 31.693 32.500 -0.039 0.000 0.714 18 K HN 0.483 nan 8.250 nan 0.000 0.438 19 W N 2.125 123.540 121.300 0.192 0.000 2.338 19 W HA -0.189 4.472 4.660 0.002 0.000 0.304 19 W C 1.794 178.426 176.519 0.189 0.000 1.212 19 W CA 1.436 58.909 57.345 0.213 0.000 1.264 19 W CB -0.317 29.286 29.460 0.238 0.000 1.142 19 W HN -0.045 nan 8.180 nan 0.000 0.512 20 L N 0.586 122.074 121.223 0.441 0.000 2.017 20 L HA -0.260 4.081 4.340 0.002 0.000 0.208 20 L C 2.584 179.518 176.870 0.107 0.000 1.073 20 L CA 1.826 56.833 54.840 0.279 0.000 0.745 20 L CB -0.929 41.282 42.059 0.253 0.000 0.894 20 L HN -0.054 nan 8.230 nan 0.000 0.432 21 K N -0.023 120.428 120.400 0.085 0.000 2.032 21 K HA -0.195 4.126 4.320 0.002 0.000 0.209 21 K C 1.986 178.581 176.600 -0.008 0.000 1.048 21 K CA 1.631 57.944 56.287 0.043 0.000 0.927 21 K CB -0.192 32.334 32.500 0.045 0.000 0.712 21 K HN 0.417 nan 8.250 nan 0.000 0.441 22 E N 0.166 120.340 120.200 -0.043 0.000 2.047 22 E HA -0.122 4.229 4.350 0.002 0.000 0.191 22 E C 2.119 178.582 176.600 -0.227 0.000 0.987 22 E CA 1.381 57.726 56.400 -0.092 0.000 0.799 22 E CB -0.153 29.517 29.700 -0.049 0.000 0.752 22 E HN 0.264 nan 8.360 nan 0.000 0.449 23 T N 0.202 114.495 114.554 -0.435 0.000 2.737 23 T HA -0.120 4.231 4.350 0.002 0.000 0.265 23 T C 1.281 175.639 174.700 -0.570 0.000 1.038 23 T CA 1.222 62.922 62.100 -0.667 0.000 1.144 23 T CB -0.199 67.883 68.868 -1.310 0.000 0.866 23 T HN 0.200 nan 8.240 nan 0.000 0.434 24 Y N -0.003 120.141 120.300 -0.260 0.000 2.442 24 Y HA 0.363 4.914 4.550 0.002 0.000 0.250 24 Y C 0.823 176.669 175.900 -0.091 0.000 1.113 24 Y CA -0.509 57.506 58.100 -0.141 0.000 1.273 24 Y CB 0.428 38.831 38.460 -0.095 0.000 1.138 24 Y HN -0.162 nan 8.280 nan 0.000 0.522 25 R N -0.154 120.363 120.500 0.029 0.000 3.416 25 R HA -0.169 4.172 4.340 0.002 0.000 0.263 25 R C -0.308 176.018 176.300 0.042 0.000 1.053 25 R CA 0.732 56.841 56.100 0.015 0.000 0.705 25 R CB -2.136 28.156 30.300 -0.013 0.000 1.124 25 R HN 0.303 nan 8.270 nan 0.000 0.444 26 A N 0.107 122.967 122.820 0.067 0.000 2.322 26 A HA 0.603 4.924 4.320 0.002 0.000 0.327 26 A C 0.076 177.675 177.584 0.025 0.000 1.134 26 A CA -0.654 51.411 52.037 0.046 0.000 0.831 26 A CB 1.002 20.030 19.000 0.047 0.000 1.288 26 A HN 0.229 nan 8.150 nan 0.000 0.472 27 E N 0.199 120.407 120.200 0.012 0.000 2.289 27 E HA 0.408 4.759 4.350 0.002 0.000 0.278 27 E C -1.078 175.521 176.600 -0.000 0.000 1.032 27 E CA -0.283 56.120 56.400 0.005 0.000 0.854 27 E CB 1.394 31.095 29.700 0.002 0.000 1.046 27 E HN 0.319 nan 8.360 nan 0.000 0.409 28 V N 4.813 124.725 119.914 -0.002 0.000 2.398 28 V HA 0.232 4.353 4.120 0.002 0.000 0.286 28 V C -0.286 175.800 176.094 -0.012 0.000 1.026 28 V CA -0.738 61.558 62.300 -0.007 0.000 0.868 28 V CB 1.014 32.836 31.823 -0.003 0.000 0.982 28 V HN 0.495 nan 8.190 nan 0.000 0.443 29 I N 4.562 125.133 120.570 0.001 0.000 2.312 29 I HA 0.568 4.739 4.170 0.002 0.000 0.290 29 I C 0.692 176.833 176.117 0.041 0.000 1.008 29 I CA -0.005 61.304 61.300 0.016 0.000 1.226 29 I CB 1.396 39.412 38.000 0.027 0.000 1.371 29 I HN 0.678 nan 8.210 nan 0.000 0.468 30 A N 6.598 129.429 122.820 0.017 0.000 2.331 30 A HA 0.640 4.961 4.320 0.002 0.000 0.283 30 A C -0.876 176.821 177.584 0.189 0.000 1.142 30 A CA -0.209 51.850 52.037 0.037 0.000 0.812 30 A CB 0.187 19.070 19.000 -0.194 0.000 1.074 30 A HN 0.528 nan 8.150 nan 0.000 0.497 31 F N 2.028 122.032 119.950 0.089 0.000 2.518 31 F HA 0.620 5.148 4.527 0.002 0.000 0.323 31 F C -0.382 175.482 175.800 0.107 0.000 1.129 31 F CA -0.251 57.797 58.000 0.081 0.000 0.920 31 F CB 2.098 41.136 39.000 0.065 0.000 1.160 31 F HN 0.430 nan 8.300 nan 0.000 0.440 32 T N 5.656 119.834 114.554 -0.627 0.000 2.812 32 T HA 0.778 5.129 4.350 0.002 0.000 0.282 32 T C -0.772 173.384 174.700 -0.907 0.000 0.990 32 T CA -0.549 61.203 62.100 -0.579 0.000 0.960 32 T CB 1.314 70.064 68.868 -0.197 0.000 0.948 32 T HN 0.791 nan 8.240 nan 0.000 0.438 33 A N 2.368 124.701 122.820 -0.812 0.000 2.318 33 A HA 0.639 4.960 4.320 0.002 0.000 0.324 33 A C -0.469 176.911 177.584 -0.341 0.000 1.170 33 A CA -0.708 50.969 52.037 -0.601 0.000 0.810 33 A CB 0.727 19.431 19.000 -0.492 0.000 1.198 33 A HN 0.699 nan 8.150 nan 0.000 0.484 34 D N 2.597 122.850 120.400 -0.245 0.000 2.380 34 D HA 0.357 4.998 4.640 0.002 0.000 0.230 34 D C 0.359 176.555 176.300 -0.174 0.000 1.154 34 D CA -0.173 53.723 54.000 -0.173 0.000 0.859 34 D CB 0.388 41.123 40.800 -0.110 0.000 1.045 34 D HN 0.472 nan 8.370 nan 0.000 0.495 35 I N 0.634 121.074 120.570 -0.216 0.000 3.658 35 I HA 0.494 4.665 4.170 0.002 0.000 0.328 35 I C 0.902 176.929 176.117 -0.150 0.000 1.567 35 I CA -0.665 60.468 61.300 -0.278 0.000 1.078 35 I CB 0.465 38.075 38.000 -0.650 0.000 1.267 35 I HN 0.435 nan 8.210 nan 0.000 0.495 36 G N 2.049 110.804 108.800 -0.076 0.000 2.130 36 G HA2 -0.262 3.699 3.960 0.002 0.000 0.216 36 G HA3 -0.262 3.699 3.960 0.002 0.000 0.216 36 G C 0.390 175.276 174.900 -0.023 0.000 0.999 36 G CA 0.371 45.462 45.100 -0.015 0.000 0.686 36 G HN 0.532 nan 8.290 nan 0.000 0.515 37 Q N -0.083 119.678 119.800 -0.064 0.000 2.500 37 Q HA 0.393 4.734 4.340 0.002 0.000 0.213 37 Q C 1.964 177.943 176.000 -0.035 0.000 0.974 37 Q CA 1.340 57.108 55.803 -0.058 0.000 0.918 37 Q CB -0.012 28.671 28.738 -0.090 0.000 0.980 37 Q HN 1.802 nan 8.270 nan 0.000 0.505 38 G N 0.167 108.951 108.800 -0.027 0.000 2.256 38 G HA2 -0.223 3.738 3.960 0.002 0.000 0.272 38 G HA3 -0.223 3.738 3.960 0.002 0.000 0.272 38 G C -0.639 174.247 174.900 -0.023 0.000 1.076 38 G CA 0.015 45.106 45.100 -0.014 0.000 0.882 38 G HN 0.157 nan 8.290 nan 0.000 0.497 39 E N -0.570 119.607 120.200 -0.038 0.000 2.343 39 E HA 0.464 4.815 4.350 0.002 0.000 0.270 39 E C -0.408 176.167 176.600 -0.041 0.000 0.895 39 E CA -1.075 55.300 56.400 -0.042 0.000 0.767 39 E CB 1.737 31.399 29.700 -0.063 0.000 1.248 39 E HN 0.214 nan 8.360 nan 0.000 0.440 40 E N 1.492 121.674 120.200 -0.031 0.000 2.129 40 E HA 0.091 4.442 4.350 0.002 0.000 0.283 40 E C 0.757 177.337 176.600 -0.033 0.000 1.080 40 E CA -0.192 56.192 56.400 -0.026 0.000 0.867 40 E CB 0.646 30.338 29.700 -0.014 0.000 1.056 40 E HN 0.361 nan 8.360 nan 0.000 0.404 41 V N 2.266 122.153 119.914 -0.045 0.000 2.970 41 V HA -0.056 4.065 4.120 0.002 0.000 0.260 41 V C 1.390 177.470 176.094 -0.024 0.000 1.100 41 V CA 1.103 63.370 62.300 -0.056 0.000 1.122 41 V CB -0.305 31.462 31.823 -0.093 0.000 0.721 41 V HN 0.469 nan 8.190 nan 0.000 0.483 42 E N 0.870 121.062 120.200 -0.012 0.000 2.208 42 E HA -0.111 4.240 4.350 0.002 0.000 0.193 42 E C 2.177 178.786 176.600 0.015 0.000 0.988 42 E CA 1.145 57.547 56.400 0.004 0.000 0.828 42 E CB 0.010 29.712 29.700 0.004 0.000 0.763 42 E HN 0.799 nan 8.360 nan 0.000 0.478 43 E N 0.662 120.869 120.200 0.010 0.000 2.072 43 E HA -0.116 4.235 4.350 0.002 0.000 0.191 43 E C 2.018 178.646 176.600 0.047 0.000 0.985 43 E CA 0.966 57.378 56.400 0.020 0.000 0.801 43 E CB -0.030 29.675 29.700 0.008 0.000 0.750 43 E HN 0.155 nan 8.360 nan 0.000 0.452 44 A N 1.414 124.263 122.820 0.048 0.000 1.930 44 A HA -0.163 4.158 4.320 0.002 0.000 0.217 44 A C 2.082 179.794 177.584 0.213 0.000 1.175 44 A CA 1.116 53.232 52.037 0.131 0.000 0.627 44 A CB -0.362 18.658 19.000 0.034 0.000 0.815 44 A HN 0.044 nan 8.150 nan 0.000 0.443 45 R N -0.244 120.320 120.500 0.106 0.000 2.096 45 R HA -0.151 4.190 4.340 0.002 0.000 0.235 45 R C 1.980 178.306 176.300 0.044 0.000 1.127 45 R CA 1.782 57.925 56.100 0.073 0.000 0.968 45 R CB -0.193 30.130 30.300 0.039 0.000 0.861 45 R HN 0.699 nan 8.270 nan 0.000 0.440 46 E N -0.072 120.155 120.200 0.044 0.000 2.107 46 E HA -0.181 4.170 4.350 0.002 0.000 0.191 46 E C 1.897 178.515 176.600 0.030 0.000 0.982 46 E CA 0.916 57.333 56.400 0.027 0.000 0.809 46 E CB 0.039 29.753 29.700 0.024 0.000 0.756 46 E HN 0.211 nan 8.360 nan 0.000 0.459 47 K N 0.852 121.292 120.400 0.067 0.000 2.147 47 K HA -0.114 4.207 4.320 0.002 0.000 0.205 47 K C 2.038 178.658 176.600 0.032 0.000 1.049 47 K CA 1.032 57.368 56.287 0.083 0.000 0.936 47 K CB -0.035 32.555 32.500 0.151 0.000 0.722 47 K HN 0.069 nan 8.250 nan 0.000 0.446 48 A N 1.233 124.027 122.820 -0.044 0.000 1.930 48 A HA -0.090 4.231 4.320 0.002 0.000 0.217 48 A C 2.039 179.510 177.584 -0.188 0.000 1.175 48 A CA 1.061 52.881 52.037 -0.361 0.000 0.627 48 A CB -0.447 18.230 19.000 -0.539 0.000 0.815 48 A HN 0.311 nan 8.150 nan 0.000 0.443 49 L N -1.316 119.855 121.223 -0.088 0.000 2.141 49 L HA -0.116 4.225 4.340 0.002 0.000 0.209 49 L C 2.807 179.657 176.870 -0.034 0.000 1.094 49 L CA 1.024 55.833 54.840 -0.052 0.000 0.763 49 L CB -0.395 41.650 42.059 -0.024 0.000 0.908 49 L HN 0.353 nan 8.230 nan 0.000 0.437 50 R N -0.702 119.785 120.500 -0.021 0.000 2.115 50 R HA -0.066 4.275 4.340 0.002 0.000 0.226 50 R C 2.037 178.334 176.300 -0.004 0.000 1.100 50 R CA 1.529 57.627 56.100 -0.004 0.000 0.980 50 R CB -0.278 30.028 30.300 0.011 0.000 0.875 50 R HN 0.279 nan 8.270 nan 0.000 0.445 51 T N -1.136 113.407 114.554 -0.018 0.000 3.085 51 T HA 0.072 4.423 4.350 0.002 0.000 0.263 51 T C 1.157 175.848 174.700 -0.014 0.000 1.127 51 T CA 1.116 63.211 62.100 -0.007 0.000 1.103 51 T CB 0.529 69.389 68.868 -0.012 0.000 0.921 51 T HN 0.582 nan 8.240 nan 0.000 0.510 52 G N 0.768 109.548 108.800 -0.033 0.000 2.227 52 G HA2 0.070 4.031 3.960 0.002 0.000 0.168 52 G HA3 0.070 4.031 3.960 0.002 0.000 0.168 52 G C 0.234 175.112 174.900 -0.037 0.000 1.006 52 G CA -0.330 44.758 45.100 -0.021 0.000 0.684 52 G HN 0.763 nan 8.290 nan 0.000 0.489 53 A N 0.978 123.753 122.820 -0.075 0.000 2.511 53 A HA 0.601 4.922 4.320 0.002 0.000 0.242 53 A C 1.713 179.273 177.584 -0.041 0.000 1.069 53 A CA 1.328 53.319 52.037 -0.077 0.000 0.763 53 A CB 0.403 19.322 19.000 -0.135 0.000 1.001 53 A HN 1.641 nan 8.150 nan 0.000 0.498 54 S N 0.977 116.662 115.700 -0.025 0.000 2.527 54 S HA 0.138 4.609 4.470 0.002 0.000 0.222 54 S C 0.473 175.067 174.600 -0.009 0.000 0.985 54 S CA 0.849 59.041 58.200 -0.012 0.000 0.921 54 S CB -0.166 63.030 63.200 -0.006 0.000 0.772 54 S HN 0.803 nan 8.310 nan 0.000 0.529 55 K N -0.117 120.276 120.400 -0.011 0.000 2.570 55 K HA 0.582 4.904 4.320 0.002 0.000 0.256 55 K C -2.164 174.438 176.600 0.003 0.000 0.939 55 K CA -0.380 55.908 56.287 0.002 0.000 0.833 55 K CB 1.700 34.208 32.500 0.013 0.000 1.318 55 K HN 0.143 nan 8.250 nan 0.000 0.433 56 A N 5.291 128.119 122.820 0.012 0.000 2.335 56 A HA 0.696 5.017 4.320 0.002 0.000 0.304 56 A C -1.019 176.604 177.584 0.065 0.000 1.118 56 A CA -0.744 51.306 52.037 0.022 0.000 0.757 56 A CB 0.459 19.452 19.000 -0.012 0.000 1.188 56 A HN 0.629 nan 8.150 nan 0.000 0.460 57 I N 1.595 122.239 120.570 0.124 0.000 2.530 57 I HA 0.690 4.861 4.170 0.002 0.000 0.297 57 I C 0.303 176.510 176.117 0.149 0.000 1.011 57 I CA -0.557 60.846 61.300 0.172 0.000 1.107 57 I CB 2.262 40.427 38.000 0.274 0.000 1.285 57 I HN 0.713 nan 8.210 nan 0.000 0.436 58 A N 7.321 130.197 122.820 0.093 0.000 2.402 58 A HA 0.846 5.167 4.320 0.002 0.000 0.291 58 A C -1.159 176.439 177.584 0.024 0.000 1.051 58 A CA -0.399 51.629 52.037 -0.015 0.000 0.716 58 A CB 1.044 20.027 19.000 -0.029 0.000 1.223 58 A HN 0.637 nan 8.150 nan 0.000 0.425 59 L N 1.405 122.622 121.223 -0.011 0.000 2.354 59 L HA 0.492 4.833 4.340 0.002 0.000 0.269 59 L C -0.777 176.064 176.870 -0.048 0.000 1.005 59 L CA -1.010 53.849 54.840 0.032 0.000 0.819 59 L CB 2.192 44.335 42.059 0.140 0.000 1.311 59 L HN 0.711 nan 8.230 nan 0.000 0.423 60 D N 2.806 123.195 120.400 -0.019 0.000 2.380 60 D HA 0.259 4.900 4.640 0.002 0.000 0.230 60 D C 0.107 176.394 176.300 -0.023 0.000 1.154 60 D CA 0.003 53.985 54.000 -0.030 0.000 0.859 60 D CB 0.944 41.741 40.800 -0.006 0.000 1.045 60 D HN 0.414 nan 8.370 nan 0.000 0.495 61 L N 3.539 124.726 121.223 -0.059 0.000 2.818 61 L HA 0.206 4.547 4.340 0.002 0.000 0.243 61 L C 1.964 178.849 176.870 0.024 0.000 1.185 61 L CA -0.313 54.505 54.840 -0.036 0.000 0.988 61 L CB 0.194 42.172 42.059 -0.136 0.000 1.292 61 L HN 0.198 nan 8.230 nan 0.000 0.519 62 K N 0.591 121.007 120.400 0.027 0.000 2.032 62 K HA -0.177 4.144 4.320 0.002 0.000 0.209 62 K C 1.948 178.601 176.600 0.089 0.000 1.048 62 K CA 1.442 57.778 56.287 0.083 0.000 0.927 62 K CB 0.162 32.690 32.500 0.046 0.000 0.712 62 K HN 0.215 nan 8.250 nan 0.000 0.441 63 E N 0.419 120.646 120.200 0.046 0.000 2.072 63 E HA -0.225 4.126 4.350 0.002 0.000 0.191 63 E C 2.003 178.627 176.600 0.040 0.000 0.985 63 E CA 1.057 57.464 56.400 0.012 0.000 0.801 63 E CB -0.050 29.661 29.700 0.019 0.000 0.750 63 E HN 0.413 nan 8.360 nan 0.000 0.452 64 E N 0.028 120.298 120.200 0.117 0.000 2.077 64 E HA -0.188 4.163 4.350 0.002 0.000 0.193 64 E C 2.001 178.782 176.600 0.302 0.000 0.989 64 E CA 0.639 57.167 56.400 0.213 0.000 0.800 64 E CB -0.193 29.668 29.700 0.269 0.000 0.746 64 E HN 0.107 nan 8.360 nan 0.000 0.452 65 F N 1.297 121.261 119.950 0.022 0.000 2.046 65 F HA -0.235 4.293 4.527 0.002 0.000 0.297 65 F C 2.011 177.810 175.800 -0.002 0.000 1.123 65 F CA 1.670 59.636 58.000 -0.057 0.000 1.199 65 F CB -0.811 38.098 39.000 -0.151 0.000 0.972 65 F HN -0.091 nan 8.300 nan 0.000 0.474 66 V N 1.439 121.160 119.914 -0.321 0.000 2.307 66 V HA -0.240 3.881 4.120 0.002 0.000 0.245 66 V C 2.693 178.413 176.094 -0.625 0.000 1.045 66 V CA 2.188 64.113 62.300 -0.625 0.000 1.024 66 V CB -0.933 30.521 31.823 -0.615 0.000 0.651 66 V HN 0.341 nan 8.190 nan 0.000 0.449 67 R N 0.313 120.572 120.500 -0.402 0.000 2.073 67 R HA -0.176 4.165 4.340 0.002 0.000 0.234 67 R C 1.622 177.920 176.300 -0.004 0.000 1.134 67 R CA 2.158 58.111 56.100 -0.245 0.000 0.952 67 R CB -0.281 29.972 30.300 -0.078 0.000 0.850 67 R HN 0.486 nan 8.270 nan 0.000 0.433 68 D N -1.414 119.045 120.400 0.098 0.000 2.360 68 D HA 0.050 4.691 4.640 0.002 0.000 0.210 68 D C 0.626 176.784 176.300 -0.237 0.000 1.047 68 D CA 0.526 54.540 54.000 0.023 0.000 0.854 68 D CB 0.356 41.190 40.800 0.055 0.000 0.936 68 D HN 0.198 nan 8.370 nan 0.000 0.514 69 F N -0.964 118.967 119.950 -0.032 0.000 2.212 69 F HA 0.073 4.601 4.527 0.002 0.000 0.262 69 F C 2.139 177.787 175.800 -0.254 0.000 0.906 69 F CA -0.072 57.798 58.000 -0.217 0.000 1.127 69 F CB -0.393 38.404 39.000 -0.337 0.000 1.178 69 F HN -0.260 nan 8.300 nan 0.000 0.779 70 V N 0.532 120.338 119.914 -0.180 0.000 2.307 70 V HA -0.246 3.875 4.120 0.002 0.000 0.245 70 V C 2.228 178.400 176.094 0.130 0.000 1.045 70 V CA 1.702 63.882 62.300 -0.201 0.000 1.024 70 V CB -0.599 30.933 31.823 -0.485 0.000 0.651 70 V HN 0.162 nan 8.190 nan 0.000 0.449 71 F N 0.189 120.098 119.950 -0.070 0.000 2.102 71 F HA -0.004 4.524 4.527 0.002 0.000 0.298 71 F C 0.158 175.977 175.800 0.032 0.000 1.105 71 F CA 0.839 58.832 58.000 -0.011 0.000 1.239 71 F CB -2.484 36.517 39.000 0.003 0.000 0.991 71 F HN 0.278 nan 8.300 nan 0.000 0.474 72 P HA -0.199 nan 4.420 nan 0.000 0.217 72 P C 2.172 179.615 177.300 0.239 0.000 1.150 72 P CA 1.561 64.809 63.100 0.248 0.000 0.832 72 P CB -0.184 31.719 31.700 0.339 0.000 0.787 73 M N -1.694 118.101 119.600 0.326 0.000 2.132 73 M HA -0.145 4.336 4.480 0.002 0.000 0.263 73 M C 1.916 178.238 176.300 0.036 0.000 1.065 73 M CA 1.968 57.462 55.300 0.323 0.000 1.122 73 M CB -0.408 32.343 32.600 0.252 0.000 1.365 73 M HN -0.145 nan 8.290 nan 0.000 0.411 74 M N -0.566 119.052 119.600 0.030 0.000 2.213 74 M HA -0.176 4.305 4.480 0.002 0.000 0.263 74 M C 2.079 178.295 176.300 -0.141 0.000 1.062 74 M CA 1.558 56.836 55.300 -0.036 0.000 1.105 74 M CB -0.441 32.166 32.600 0.011 0.000 1.385 74 M HN 0.265 nan 8.290 nan 0.000 0.417 75 R N 0.155 120.572 120.500 -0.139 0.000 2.159 75 R HA -0.097 4.244 4.340 0.002 0.000 0.237 75 R C 2.004 178.108 176.300 -0.327 0.000 1.131 75 R CA 1.394 57.383 56.100 -0.184 0.000 0.982 75 R CB -0.356 29.881 30.300 -0.104 0.000 0.868 75 R HN 0.355 nan 8.270 nan 0.000 0.453 76 A N -0.026 122.438 122.820 -0.592 0.000 2.251 76 A HA 0.195 4.516 4.320 0.002 0.000 0.209 76 A C 1.283 178.370 177.584 -0.829 0.000 1.187 76 A CA 0.613 51.884 52.037 -1.276 0.000 0.823 76 A CB -0.055 17.536 19.000 -2.348 0.000 0.846 76 A HN 0.406 nan 8.150 nan 0.000 0.486 77 G N -0.916 107.633 108.800 -0.419 0.000 2.273 77 G HA2 0.045 4.006 3.960 0.002 0.000 0.280 77 G HA3 0.045 4.006 3.960 0.002 0.000 0.280 77 G C 0.368 175.207 174.900 -0.102 0.000 1.047 77 G CA 0.410 45.385 45.100 -0.207 0.000 0.869 77 G HN 1.600 nan 8.290 nan 0.000 0.502 78 A N -0.546 122.197 122.820 -0.128 0.000 2.491 78 A HA 0.607 4.928 4.320 0.002 0.000 0.261 78 A C 0.341 177.925 177.584 0.001 0.000 1.101 78 A CA 0.510 52.544 52.037 -0.004 0.000 0.772 78 A CB 0.846 19.941 19.000 0.158 0.000 1.043 78 A HN 1.313 nan 8.150 nan 0.000 0.501 79 V N 3.967 123.878 119.914 -0.005 0.000 2.612 79 V HA 0.193 4.314 4.120 0.002 0.000 0.301 79 V C -1.059 175.032 176.094 -0.004 0.000 1.059 79 V CA -0.508 61.755 62.300 -0.061 0.000 0.886 79 V CB 1.461 33.194 31.823 -0.150 0.000 1.007 79 V HN 0.819 nan 8.190 nan 0.000 0.426 80 Y N 3.552 123.781 120.300 -0.118 0.000 2.316 80 Y HA 0.353 4.904 4.550 0.002 0.000 0.331 80 Y C 1.142 176.999 175.900 -0.072 0.000 1.083 80 Y CA -0.255 57.776 58.100 -0.114 0.000 1.206 80 Y CB 0.658 39.033 38.460 -0.141 0.000 1.195 80 Y HN 0.871 nan 8.280 nan 0.000 0.497 81 E N 4.288 124.117 120.200 -0.618 0.000 2.199 81 E HA -0.325 4.026 4.350 0.002 0.000 0.208 81 E C 1.149 177.633 176.600 -0.194 0.000 1.310 81 E CA 0.691 56.819 56.400 -0.453 0.000 0.709 81 E CB -1.448 27.917 29.700 -0.558 0.000 1.127 81 E HN 1.195 nan 8.360 nan 0.000 0.354 82 G N -1.165 107.480 108.800 -0.259 0.000 2.396 82 G HA2 -0.417 3.544 3.960 0.002 0.000 0.242 82 G HA3 -0.417 3.544 3.960 0.002 0.000 0.242 82 G C 0.550 175.050 174.900 -0.667 0.000 1.069 82 G CA 0.783 45.586 45.100 -0.494 0.000 0.633 82 G HN 0.415 nan 8.290 nan 0.000 0.517 83 Y N -1.988 118.288 120.300 -0.041 0.000 2.435 83 Y HA 0.438 4.989 4.550 0.002 0.000 0.270 83 Y C 0.799 176.719 175.900 0.033 0.000 1.093 83 Y CA -0.578 57.509 58.100 -0.022 0.000 1.226 83 Y CB 0.235 38.714 38.460 0.031 0.000 1.289 83 Y HN 0.216 nan 8.280 nan 0.000 0.529 84 Y N 3.014 123.348 120.300 0.056 0.000 2.537 84 Y HA 0.193 4.745 4.550 0.002 0.000 0.339 84 Y C 0.634 176.482 175.900 -0.086 0.000 1.066 84 Y CA -0.920 57.137 58.100 -0.071 0.000 1.357 84 Y CB 0.368 38.794 38.460 -0.057 0.000 1.175 84 Y HN 0.131 nan 8.280 nan 0.000 0.525 85 L N 7.327 128.368 121.223 -0.304 0.000 2.645 85 L HA 0.011 4.352 4.340 0.002 0.000 0.235 85 L C 0.667 177.158 176.870 -0.631 0.000 1.150 85 L CA 0.123 54.742 54.840 -0.370 0.000 0.911 85 L CB -0.445 41.507 42.059 -0.179 0.000 1.077 85 L HN 0.806 nan 8.230 nan 0.000 0.438 86 L N -0.712 119.654 121.223 -1.428 0.000 3.865 86 L HA -0.273 4.068 4.340 0.002 0.000 0.408 86 L C 1.792 178.234 176.870 -0.713 0.000 1.209 86 L CA 0.127 54.226 54.840 -1.235 0.000 0.940 86 L CB -2.110 39.613 42.059 -0.561 0.000 1.971 86 L HN 0.423 nan 8.230 nan 0.000 0.899 87 G N -0.598 107.719 108.800 -0.804 0.000 2.476 87 G HA2 -0.279 3.682 3.960 0.002 0.000 0.218 87 G HA3 -0.279 3.682 3.960 0.002 0.000 0.218 87 G C 1.262 175.834 174.900 -0.547 0.000 1.164 87 G CA 1.652 46.165 45.100 -0.979 0.000 0.768 87 G HN 0.433 nan 8.290 nan 0.000 0.560 88 T N 0.943 115.361 114.554 -0.226 0.000 2.851 88 T HA -0.016 4.335 4.350 0.002 0.000 0.262 88 T C 2.895 177.531 174.700 -0.107 0.000 1.043 88 T CA 1.246 63.364 62.100 0.030 0.000 1.140 88 T CB -0.235 68.772 68.868 0.230 0.000 0.872 88 T HN 0.294 nan 8.240 nan 0.000 0.446 89 S N 2.423 118.054 115.700 -0.114 0.000 2.368 89 S HA -0.152 4.319 4.470 0.002 0.000 0.226 89 S C 1.958 176.408 174.600 -0.250 0.000 1.044 89 S CA 1.602 59.682 58.200 -0.199 0.000 1.062 89 S CB -0.549 62.544 63.200 -0.179 0.000 0.931 89 S HN 0.604 nan 8.310 nan 0.000 0.440 90 I N 1.163 121.589 120.570 -0.240 0.000 3.291 90 I HA 0.207 4.378 4.170 0.002 0.000 0.279 90 I C 2.009 178.000 176.117 -0.210 0.000 1.294 90 I CA 0.365 61.486 61.300 -0.298 0.000 1.428 90 I CB -0.874 36.958 38.000 -0.281 0.000 1.070 90 I HN 0.177 nan 8.210 nan 0.000 0.478 91 A N 1.277 123.992 122.820 -0.175 0.000 1.903 91 A HA 0.014 4.335 4.320 0.002 0.000 0.213 91 A C 2.318 179.639 177.584 -0.438 0.000 1.185 91 A CA 0.500 52.336 52.037 -0.336 0.000 0.628 91 A CB -0.258 18.477 19.000 -0.441 0.000 0.830 91 A HN 0.194 nan 8.150 nan 0.000 0.446 92 R N 0.188 120.417 120.500 -0.453 0.000 2.113 92 R HA -0.139 4.202 4.340 0.002 0.000 0.244 92 R C -0.486 175.545 176.300 -0.448 0.000 1.142 92 R CA 1.919 57.630 56.100 -0.649 0.000 0.953 92 R CB -2.533 27.235 30.300 -0.886 0.000 0.860 92 R HN 0.380 nan 8.270 nan 0.000 0.438 93 P HA -0.142 nan 4.420 nan 0.000 0.216 93 P C 1.715 179.057 177.300 0.069 0.000 1.153 93 P CA 0.902 63.987 63.100 -0.026 0.000 0.858 93 P CB -0.114 31.530 31.700 -0.094 0.000 0.789 94 L N -0.933 120.061 121.223 -0.381 0.000 1.989 94 L HA -0.195 4.146 4.340 0.002 0.000 0.211 94 L C 2.242 179.123 176.870 0.019 0.000 1.071 94 L CA 1.957 56.503 54.840 -0.490 0.000 0.749 94 L CB -0.744 40.731 42.059 -0.974 0.000 0.890 94 L HN -0.067 nan 8.230 nan 0.000 0.431 95 I N 0.044 120.606 120.570 -0.014 0.000 2.127 95 I HA -0.310 3.861 4.170 0.002 0.000 0.241 95 I C 2.829 179.131 176.117 0.309 0.000 1.075 95 I CA 1.345 62.782 61.300 0.229 0.000 1.334 95 I CB -0.573 37.575 38.000 0.247 0.000 1.040 95 I HN 0.311 nan 8.210 nan 0.000 0.405 96 A N 0.722 123.709 122.820 0.279 0.000 1.948 96 A HA -0.303 4.018 4.320 0.002 0.000 0.220 96 A C 2.387 180.067 177.584 0.159 0.000 1.177 96 A CA 2.215 54.421 52.037 0.281 0.000 0.636 96 A CB -0.667 18.492 19.000 0.265 0.000 0.815 96 A HN 0.442 nan 8.150 nan 0.000 0.449 97 K N -1.372 119.135 120.400 0.178 0.000 2.103 97 K HA -0.247 4.074 4.320 0.002 0.000 0.207 97 K C 1.827 178.375 176.600 -0.087 0.000 1.048 97 K CA 1.926 58.254 56.287 0.069 0.000 0.930 97 K CB -0.291 32.326 32.500 0.196 0.000 0.716 97 K HN 0.634 nan 8.250 nan 0.000 0.444 98 H N 0.251 119.287 119.070 -0.056 0.000 2.403 98 H HA 0.046 4.603 4.556 0.002 0.000 0.298 98 H C 1.875 176.963 175.328 -0.399 0.000 1.059 98 H CA 1.391 57.273 56.048 -0.276 0.000 1.363 98 H CB 0.072 29.565 29.762 -0.448 0.000 1.410 98 H HN 0.081 nan 8.280 nan 0.000 0.528 99 L N -0.398 120.734 121.223 -0.150 0.000 2.042 99 L HA -0.177 4.164 4.340 0.002 0.000 0.210 99 L C 2.058 178.867 176.870 -0.103 0.000 1.076 99 L CA 0.908 55.678 54.840 -0.117 0.000 0.749 99 L CB -0.310 41.766 42.059 0.029 0.000 0.893 99 L HN 0.202 nan 8.230 nan 0.000 0.432 100 V N -0.445 119.420 119.914 -0.081 0.000 2.548 100 V HA -0.209 3.912 4.120 0.002 0.000 0.249 100 V C 2.601 178.635 176.094 -0.101 0.000 1.055 100 V CA 1.489 63.742 62.300 -0.077 0.000 1.065 100 V CB -0.574 31.212 31.823 -0.063 0.000 0.681 100 V HN 0.447 nan 8.190 nan 0.000 0.462 101 R N 0.315 120.727 120.500 -0.146 0.000 2.066 101 R HA -0.104 4.237 4.340 0.002 0.000 0.232 101 R C 2.278 178.505 176.300 -0.123 0.000 1.131 101 R CA 1.781 57.791 56.100 -0.148 0.000 0.955 101 R CB -0.305 29.862 30.300 -0.222 0.000 0.851 101 R HN 0.432 nan 8.270 nan 0.000 0.432 102 I N 1.097 121.574 120.570 -0.155 0.000 2.226 102 I HA -0.241 3.930 4.170 0.002 0.000 0.245 102 I C 2.609 178.680 176.117 -0.075 0.000 1.100 102 I CA 1.302 62.529 61.300 -0.122 0.000 1.374 102 I CB -0.378 37.513 38.000 -0.181 0.000 1.057 102 I HN 0.326 nan 8.210 nan 0.000 0.413 103 A N 0.122 122.898 122.820 -0.074 0.000 1.933 103 A HA -0.256 4.065 4.320 0.002 0.000 0.218 103 A C 2.274 179.834 177.584 -0.039 0.000 1.175 103 A CA 1.835 53.843 52.037 -0.049 0.000 0.628 103 A CB -0.574 18.398 19.000 -0.047 0.000 0.814 103 A HN 0.443 nan 8.150 nan 0.000 0.444 104 E N -0.489 119.684 120.200 -0.045 0.000 2.072 104 E HA -0.184 4.167 4.350 0.002 0.000 0.191 104 E C 2.014 178.597 176.600 -0.029 0.000 0.985 104 E CA 1.246 57.626 56.400 -0.034 0.000 0.801 104 E CB -0.072 29.604 29.700 -0.041 0.000 0.750 104 E HN 0.743 nan 8.360 nan 0.000 0.452 105 E N 0.049 120.228 120.200 -0.035 0.000 2.072 105 E HA -0.155 4.196 4.350 0.002 0.000 0.191 105 E C 1.647 178.238 176.600 -0.016 0.000 0.985 105 E CA 0.789 57.174 56.400 -0.024 0.000 0.801 105 E CB 0.144 29.828 29.700 -0.027 0.000 0.750 105 E HN 0.172 nan 8.360 nan 0.000 0.452 106 E N -0.554 119.635 120.200 -0.018 0.000 2.478 106 E HA 0.039 4.390 4.350 0.002 0.000 0.194 106 E C 0.922 177.516 176.600 -0.009 0.000 1.045 106 E CA 0.553 56.947 56.400 -0.011 0.000 0.868 106 E CB 0.777 30.471 29.700 -0.010 0.000 0.885 106 E HN 0.339 nan 8.360 nan 0.000 0.505 107 G N 1.585 110.378 108.800 -0.012 0.000 2.225 107 G HA2 -0.259 3.702 3.960 0.002 0.000 0.264 107 G HA3 -0.259 3.702 3.960 0.002 0.000 0.264 107 G C 0.257 175.151 174.900 -0.009 0.000 1.060 107 G CA 0.299 45.394 45.100 -0.008 0.000 0.833 107 G HN 0.451 nan 8.290 nan 0.000 0.498 108 A N 0.065 122.876 122.820 -0.015 0.000 2.274 108 A HA 0.709 5.030 4.320 0.002 0.000 0.309 108 A C 1.145 178.717 177.584 -0.019 0.000 1.226 108 A CA 0.436 52.462 52.037 -0.018 0.000 0.853 108 A CB 0.492 19.477 19.000 -0.025 0.000 1.146 108 A HN 0.822 nan 8.150 nan 0.000 0.518 109 E N 2.136 122.327 120.200 -0.016 0.000 2.435 109 E HA 0.297 4.648 4.350 0.002 0.000 0.195 109 E C 0.498 177.086 176.600 -0.020 0.000 1.029 109 E CA 0.876 57.271 56.400 -0.009 0.000 0.865 109 E CB 0.115 29.816 29.700 0.002 0.000 0.833 109 E HN 0.634 nan 8.360 nan 0.000 0.510 110 A N 1.404 124.198 122.820 -0.044 0.000 2.515 110 A HA 0.665 4.986 4.320 0.002 0.000 0.296 110 A C -0.651 176.886 177.584 -0.079 0.000 1.094 110 A CA -1.045 50.951 52.037 -0.069 0.000 0.718 110 A CB 1.226 20.156 19.000 -0.117 0.000 1.307 110 A HN 0.341 nan 8.150 nan 0.000 0.408 111 I N -2.083 118.434 120.570 -0.088 0.000 2.892 111 I HA 0.981 5.152 4.170 0.002 0.000 0.306 111 I C -0.263 175.782 176.117 -0.121 0.000 1.078 111 I CA -1.113 60.138 61.300 -0.081 0.000 1.032 111 I CB 2.300 40.266 38.000 -0.058 0.000 1.229 111 I HN 0.950 nan 8.210 nan 0.000 0.435 112 A N 2.153 124.899 122.820 -0.122 0.000 2.539 112 A HA 0.909 5.230 4.320 0.002 0.000 0.296 112 A C -1.425 176.027 177.584 -0.220 0.000 1.073 112 A CA -0.471 51.441 52.037 -0.207 0.000 0.700 112 A CB 1.343 20.251 19.000 -0.153 0.000 1.296 112 A HN 1.134 nan 8.150 nan 0.000 0.405 113 H N -1.818 117.088 119.070 -0.273 0.000 2.985 113 H HA 0.691 5.248 4.556 0.002 0.000 0.360 113 H C 0.132 175.315 175.328 -0.243 0.000 1.221 113 H CA -0.366 55.421 56.048 -0.435 0.000 1.121 113 H CB 1.415 30.562 29.762 -1.025 0.000 1.854 113 H HN 0.784 nan 8.280 nan 0.000 0.551 114 G N 0.007 108.836 108.800 0.050 0.000 3.702 114 G HA2 0.506 4.467 3.960 0.002 0.000 0.288 114 G HA3 0.506 4.467 3.960 0.002 0.000 0.288 114 G C -0.027 174.981 174.900 0.180 0.000 1.193 114 G CA 0.035 45.250 45.100 0.192 0.000 0.952 114 G HN 0.863 nan 8.290 nan 0.000 0.544 115 A N 0.770 123.745 122.820 0.259 0.000 2.340 115 A HA 0.677 4.998 4.320 0.002 0.000 0.268 115 A C 0.975 178.436 177.584 -0.204 0.000 1.100 115 A CA 0.116 52.144 52.037 -0.015 0.000 0.803 115 A CB 0.383 19.379 19.000 -0.006 0.000 1.043 115 A HN 0.557 nan 8.150 nan 0.000 0.488 116 T N -0.703 113.544 114.554 -0.512 0.000 2.788 116 T HA 0.433 4.784 4.350 0.002 0.000 0.287 116 T C 1.191 175.793 174.700 -0.163 0.000 1.007 116 T CA 0.113 61.879 62.100 -0.558 0.000 1.005 116 T CB 1.068 69.486 68.868 -0.751 0.000 1.012 116 T HN 0.991 nan 8.240 nan 0.000 0.530 117 G N -0.346 108.419 108.800 -0.057 0.000 2.920 117 G HA2 0.047 4.008 3.960 0.002 0.000 0.208 117 G HA3 0.047 4.008 3.960 0.002 0.000 0.208 117 G C 1.120 176.009 174.900 -0.017 0.000 1.159 117 G CA -0.218 44.880 45.100 -0.003 0.000 0.784 117 G HN 0.769 nan 8.290 nan 0.000 0.535 118 K N -0.122 120.248 120.400 -0.049 0.000 2.358 118 K HA 0.250 4.571 4.320 0.002 0.000 0.197 118 K C 1.305 177.883 176.600 -0.036 0.000 1.025 118 K CA 0.098 56.365 56.287 -0.033 0.000 1.104 118 K CB 1.113 33.594 32.500 -0.032 0.000 0.855 118 K HN 0.230 nan 8.250 nan 0.000 0.531 119 G N -0.002 108.763 108.800 -0.058 0.000 3.075 119 G HA2 0.094 4.055 3.960 0.002 0.000 0.253 119 G HA3 0.094 4.055 3.960 0.002 0.000 0.253 119 G C 0.054 174.931 174.900 -0.038 0.000 1.353 119 G CA -0.495 44.576 45.100 -0.048 0.000 1.051 119 G HN -0.094 nan 8.290 nan 0.000 0.553 120 N N 0.026 118.685 118.700 -0.069 0.000 2.336 120 N HA -0.056 4.685 4.740 0.002 0.000 0.177 120 N C 1.401 176.831 175.510 -0.134 0.000 1.018 120 N CA 0.653 53.639 53.050 -0.106 0.000 0.878 120 N CB 0.044 38.355 38.487 -0.294 0.000 0.997 120 N HN 0.395 nan 8.380 nan 0.000 0.433 121 D N 1.984 122.296 120.400 -0.147 0.000 2.158 121 D HA -0.205 4.436 4.640 0.002 0.000 0.197 121 D C 2.115 178.352 176.300 -0.105 0.000 0.995 121 D CA 1.043 54.943 54.000 -0.167 0.000 0.846 121 D CB -0.207 40.550 40.800 -0.072 0.000 0.941 121 D HN 0.584 nan 8.370 nan 0.000 0.456 122 Q N 0.518 120.275 119.800 -0.072 0.000 2.096 122 Q HA -0.121 4.220 4.340 0.002 0.000 0.204 122 Q C 2.199 178.197 176.000 -0.003 0.000 0.982 122 Q CA 1.425 57.193 55.803 -0.059 0.000 0.850 122 Q CB -0.523 28.253 28.738 0.062 0.000 0.901 122 Q HN 0.147 nan 8.270 nan 0.000 0.422 123 V N 1.366 121.276 119.914 -0.006 0.000 2.358 123 V HA -0.222 3.899 4.120 0.002 0.000 0.246 123 V C 2.460 178.517 176.094 -0.061 0.000 1.047 123 V CA 2.153 64.462 62.300 0.015 0.000 1.035 123 V CB -0.668 31.211 31.823 0.092 0.000 0.658 123 V HN 0.337 nan 8.190 nan 0.000 0.452 124 R N -0.655 119.754 120.500 -0.151 0.000 2.073 124 R HA -0.127 4.214 4.340 0.002 0.000 0.234 124 R C 2.263 178.440 176.300 -0.206 0.000 1.134 124 R CA 1.908 57.865 56.100 -0.239 0.000 0.952 124 R CB -0.516 29.559 30.300 -0.374 0.000 0.850 124 R HN 0.445 nan 8.270 nan 0.000 0.433 125 F N 1.003 120.844 119.950 -0.182 0.000 2.113 125 F HA -0.150 4.378 4.527 0.002 0.000 0.297 125 F C 2.342 178.080 175.800 -0.103 0.000 1.103 125 F CA 1.352 59.258 58.000 -0.158 0.000 1.248 125 F CB -0.040 38.769 39.000 -0.318 0.000 0.999 125 F HN 0.057 nan 8.300 nan 0.000 0.475 126 E N 0.220 120.479 120.200 0.098 0.000 2.072 126 E HA -0.147 4.204 4.350 0.002 0.000 0.190 126 E C 2.272 178.879 176.600 0.011 0.000 0.982 126 E CA 0.898 57.280 56.400 -0.030 0.000 0.803 126 E CB -0.241 29.507 29.700 0.080 0.000 0.755 126 E HN 0.406 nan 8.360 nan 0.000 0.453 127 L N 0.792 122.062 121.223 0.079 0.000 2.083 127 L HA -0.164 4.177 4.340 0.002 0.000 0.209 127 L C 2.505 179.460 176.870 0.141 0.000 1.083 127 L CA 1.112 56.020 54.840 0.113 0.000 0.752 127 L CB -0.567 41.435 42.059 -0.095 0.000 0.899 127 L HN 0.185 nan 8.230 nan 0.000 0.433 128 T N -0.086 114.541 114.554 0.121 0.000 2.701 128 T HA -0.152 4.199 4.350 0.002 0.000 0.263 128 T C 2.049 176.827 174.700 0.130 0.000 1.040 128 T CA 1.323 63.557 62.100 0.224 0.000 1.147 128 T CB -0.231 68.793 68.868 0.259 0.000 0.865 128 T HN 0.440 nan 8.240 nan 0.000 0.426 129 A N 0.628 123.466 122.820 0.030 0.000 1.873 129 A HA -0.148 4.173 4.320 0.002 0.000 0.218 129 A C 2.085 179.642 177.584 -0.046 0.000 1.193 129 A CA 1.736 53.730 52.037 -0.072 0.000 0.629 129 A CB -1.293 17.573 19.000 -0.224 0.000 0.826 129 A HN 0.672 nan 8.150 nan 0.000 0.447 130 Y N -0.433 119.917 120.300 0.083 0.000 2.224 130 Y HA -0.110 4.441 4.550 0.002 0.000 0.289 130 Y C 2.899 178.840 175.900 0.068 0.000 1.146 130 Y CA 0.559 58.701 58.100 0.070 0.000 1.182 130 Y CB -0.201 38.305 38.460 0.076 0.000 0.983 130 Y HN 0.377 nan 8.280 nan 0.000 0.524 131 A N -0.105 122.856 122.820 0.235 0.000 1.969 131 A HA -0.096 4.225 4.320 0.002 0.000 0.218 131 A C 2.073 179.713 177.584 0.092 0.000 1.169 131 A CA 1.236 53.379 52.037 0.177 0.000 0.635 131 A CB -0.719 18.411 19.000 0.217 0.000 0.810 131 A HN 0.481 nan 8.150 nan 0.000 0.445 132 L N -1.998 119.250 121.223 0.042 0.000 2.249 132 L HA 0.151 4.492 4.340 0.002 0.000 0.207 132 L C 1.175 178.040 176.870 -0.007 0.000 1.090 132 L CA 0.753 55.568 54.840 -0.041 0.000 0.802 132 L CB 0.094 42.079 42.059 -0.123 0.000 0.947 132 L HN 0.222 nan 8.230 nan 0.000 0.453 133 K N 0.456 120.876 120.400 0.033 0.000 2.764 133 K HA 0.199 4.520 4.320 0.002 0.000 0.239 133 K C -2.064 174.602 176.600 0.110 0.000 1.048 133 K CA -1.389 54.925 56.287 0.044 0.000 1.057 133 K CB 1.774 34.283 32.500 0.016 0.000 1.251 133 K HN -0.265 nan 8.250 nan 0.000 0.524 134 P HA -0.187 nan 4.420 nan 0.000 0.217 134 P C 0.096 177.495 177.300 0.164 0.000 1.148 134 P CA 1.457 64.649 63.100 0.154 0.000 0.834 134 P CB 0.180 31.932 31.700 0.086 0.000 0.783 135 D N -1.819 118.652 120.400 0.118 0.000 2.427 135 D HA 0.145 4.786 4.640 0.002 0.000 0.224 135 D C 0.585 176.954 176.300 0.115 0.000 1.157 135 D CA -0.826 53.238 54.000 0.107 0.000 0.828 135 D CB -0.801 40.037 40.800 0.062 0.000 0.974 135 D HN 0.104 nan 8.370 nan 0.000 0.498 136 I N 0.478 121.131 120.570 0.138 0.000 2.779 136 I HA 0.244 4.415 4.170 0.002 0.000 0.285 136 I C -0.265 175.927 176.117 0.125 0.000 1.134 136 I CA -0.358 60.991 61.300 0.081 0.000 1.398 136 I CB 0.659 38.670 38.000 0.019 0.000 1.404 136 I HN -0.254 nan 8.210 nan 0.000 0.587 137 K N 4.945 125.381 120.400 0.059 0.000 2.182 137 K HA 0.657 4.978 4.320 0.002 0.000 0.262 137 K C -1.356 175.242 176.600 -0.004 0.000 0.957 137 K CA -0.464 55.866 56.287 0.072 0.000 0.842 137 K CB 1.847 34.372 32.500 0.043 0.000 1.099 137 K HN 0.338 nan 8.250 nan 0.000 0.438 138 V N 3.964 123.884 119.914 0.010 0.000 2.555 138 V HA 0.536 4.657 4.120 0.002 0.000 0.302 138 V C -0.346 175.711 176.094 -0.061 0.000 1.038 138 V CA -0.852 61.408 62.300 -0.066 0.000 0.887 138 V CB 1.518 33.276 31.823 -0.108 0.000 0.991 138 V HN 0.593 nan 8.190 nan 0.000 0.434 139 I N 3.385 123.865 120.570 -0.149 0.000 2.406 139 I HA 0.710 4.881 4.170 0.002 0.000 0.290 139 I C 0.166 176.098 176.117 -0.308 0.000 0.999 139 I CA -0.579 60.631 61.300 -0.150 0.000 1.124 139 I CB 1.942 39.834 38.000 -0.179 0.000 1.289 139 I HN 0.689 nan 8.210 nan 0.000 0.441 140 A N 7.760 130.404 122.820 -0.292 0.000 2.664 140 A HA 0.573 4.894 4.320 0.002 0.000 0.338 140 A C -2.015 175.302 177.584 -0.444 0.000 1.280 140 A CA -1.440 50.312 52.037 -0.474 0.000 0.809 140 A CB 0.194 19.023 19.000 -0.286 0.000 1.114 140 A HN 0.468 nan 8.150 nan 0.000 0.479 141 P HA -0.202 nan 4.420 nan 0.000 0.218 141 P C 0.821 177.107 177.300 -1.691 0.000 1.152 141 P CA 1.480 63.840 63.100 -1.234 0.000 0.857 141 P CB 0.045 30.954 31.700 -1.318 0.000 0.787 142 W N -0.385 120.044 121.300 -1.452 0.000 2.364 142 W HA -0.089 4.572 4.660 0.002 0.000 0.281 142 W C 2.311 178.382 176.519 -0.746 0.000 1.219 142 W CA 1.073 57.637 57.345 -1.302 0.000 1.220 142 W CB -0.499 28.604 29.460 -0.595 0.000 1.127 142 W HN -0.075 nan 8.180 nan 0.000 0.556 143 R N -0.329 119.989 120.500 -0.303 0.000 2.280 143 R HA 0.035 4.377 4.340 0.002 0.000 0.195 143 R C 1.206 177.434 176.300 -0.120 0.000 0.935 143 R CA 0.711 56.736 56.100 -0.125 0.000 1.033 143 R CB 0.034 30.305 30.300 -0.047 0.000 0.964 143 R HN 0.322 nan 8.270 nan 0.000 0.489 144 E N -0.378 119.680 120.200 -0.237 0.000 2.413 144 E HA -0.001 4.350 4.350 0.002 0.000 0.203 144 E C -0.021 176.644 176.600 0.109 0.000 0.957 144 E CA -0.163 56.227 56.400 -0.017 0.000 0.950 144 E CB 0.193 29.983 29.700 0.150 0.000 0.957 144 E HN 0.131 nan 8.360 nan 0.000 0.497 145 W N 0.269 121.441 121.300 -0.212 0.000 2.116 145 W HA 0.415 5.076 4.660 0.002 0.000 0.374 145 W C 0.710 177.101 176.519 -0.212 0.000 1.445 145 W CA -1.007 56.201 57.345 -0.229 0.000 1.582 145 W CB -0.158 28.889 29.460 -0.689 0.000 1.263 145 W HN -0.386 nan 8.180 nan 0.000 0.683 146 S N -0.176 115.485 115.700 -0.066 0.000 2.523 146 S HA 0.207 4.678 4.470 0.002 0.000 0.217 146 S C 0.135 174.574 174.600 -0.268 0.000 0.996 146 S CA -0.611 57.501 58.200 -0.147 0.000 0.921 146 S CB -0.580 62.524 63.200 -0.160 0.000 0.829 146 S HN 0.277 nan 8.310 nan 0.000 0.495 147 F N 2.780 122.493 119.950 -0.395 0.000 2.623 147 F HA -0.052 4.476 4.527 0.002 0.000 0.386 147 F C 1.366 177.056 175.800 -0.184 0.000 1.068 147 F CA 0.435 58.170 58.000 -0.442 0.000 1.265 147 F CB 0.207 38.678 39.000 -0.881 0.000 1.026 147 F HN 0.112 nan 8.300 nan 0.000 0.568 148 Q N 2.367 122.209 119.800 0.071 0.000 2.233 148 Q HA 0.435 4.776 4.340 0.002 0.000 0.340 148 Q C 0.136 176.175 176.000 0.065 0.000 0.899 148 Q CA -0.439 55.407 55.803 0.072 0.000 1.139 148 Q CB 1.300 30.066 28.738 0.048 0.000 1.273 148 Q HN 0.891 nan 8.270 nan 0.000 0.431 149 G N -0.135 108.700 108.800 0.057 0.000 2.339 149 G HA2 0.009 3.970 3.960 0.002 0.000 0.302 149 G HA3 0.009 3.970 3.960 0.002 0.000 0.302 149 G C -0.748 174.135 174.900 -0.028 0.000 1.425 149 G CA -0.858 44.261 45.100 0.032 0.000 0.899 149 G HN 0.112 nan 8.290 nan 0.000 0.619 150 R N 0.156 120.645 120.500 -0.020 0.000 2.090 150 R HA 0.077 4.418 4.340 0.002 0.000 0.228 150 R C 2.350 178.593 176.300 -0.095 0.000 1.110 150 R CA 1.982 58.045 56.100 -0.061 0.000 0.973 150 R CB -0.284 30.007 30.300 -0.015 0.000 0.869 150 R HN 0.417 nan 8.270 nan 0.000 0.440 151 K N 0.637 121.007 120.400 -0.051 0.000 2.063 151 K HA -0.138 4.183 4.320 0.002 0.000 0.208 151 K C 1.916 178.485 176.600 -0.052 0.000 1.048 151 K CA 2.044 58.306 56.287 -0.041 0.000 0.928 151 K CB -0.230 32.262 32.500 -0.014 0.000 0.713 151 K HN 0.351 nan 8.250 nan 0.000 0.442 152 E N 0.088 120.258 120.200 -0.050 0.000 2.106 152 E HA -0.071 4.280 4.350 0.002 0.000 0.192 152 E C 1.982 178.480 176.600 -0.170 0.000 0.984 152 E CA 1.109 57.505 56.400 -0.006 0.000 0.806 152 E CB -0.098 29.668 29.700 0.109 0.000 0.750 152 E HN 0.260 nan 8.360 nan 0.000 0.458 153 M N -0.019 119.285 119.600 -0.494 0.000 2.132 153 M HA -0.145 4.336 4.480 0.002 0.000 0.263 153 M C 2.162 178.235 176.300 -0.377 0.000 1.065 153 M CA 1.275 56.035 55.300 -0.899 0.000 1.122 153 M CB -0.177 31.879 32.600 -0.906 0.000 1.365 153 M HN 0.113 nan 8.290 nan 0.000 0.411 154 I N 0.206 120.655 120.570 -0.202 0.000 2.252 154 I HA -0.218 3.953 4.170 0.002 0.000 0.245 154 I C 2.669 178.770 176.117 -0.027 0.000 1.102 154 I CA 1.304 62.550 61.300 -0.090 0.000 1.385 154 I CB -0.515 37.446 38.000 -0.065 0.000 1.064 154 I HN 0.214 nan 8.210 nan 0.000 0.414 155 A N -0.163 122.652 122.820 -0.007 0.000 1.908 155 A HA -0.304 4.017 4.320 0.002 0.000 0.218 155 A C 2.349 179.993 177.584 0.101 0.000 1.181 155 A CA 1.795 53.856 52.037 0.040 0.000 0.627 155 A CB -1.179 17.853 19.000 0.054 0.000 0.818 155 A HN 0.542 nan 8.150 nan 0.000 0.445 156 Y N 0.518 120.816 120.300 -0.003 0.000 2.224 156 Y HA -0.075 4.476 4.550 0.002 0.000 0.289 156 Y C 2.601 178.566 175.900 0.110 0.000 1.146 156 Y CA 1.160 59.323 58.100 0.106 0.000 1.182 156 Y CB -0.362 38.155 38.460 0.094 0.000 0.983 156 Y HN 0.328 nan 8.280 nan 0.000 0.524 157 A N 0.302 123.195 122.820 0.123 0.000 1.858 157 A HA -0.196 4.125 4.320 0.002 0.000 0.216 157 A C 2.064 179.666 177.584 0.031 0.000 1.190 157 A CA 1.936 54.009 52.037 0.059 0.000 0.617 157 A CB -0.720 18.291 19.000 0.018 0.000 0.827 157 A HN 0.614 nan 8.150 nan 0.000 0.443 158 E N -0.153 120.055 120.200 0.014 0.000 2.031 158 E HA -0.093 4.258 4.350 0.002 0.000 0.193 158 E C 2.259 178.841 176.600 -0.030 0.000 0.994 158 E CA 0.939 57.336 56.400 -0.005 0.000 0.800 158 E CB -0.364 29.331 29.700 -0.008 0.000 0.752 158 E HN 0.581 nan 8.360 nan 0.000 0.447 159 A N 0.865 123.660 122.820 -0.042 0.000 2.084 159 A HA -0.224 4.097 4.320 0.002 0.000 0.221 159 A C 1.400 178.833 177.584 -0.251 0.000 1.161 159 A CA 1.750 53.712 52.037 -0.124 0.000 0.653 159 A CB -0.609 18.323 19.000 -0.113 0.000 0.802 159 A HN 0.270 nan 8.150 nan 0.000 0.457 160 H N -2.666 116.290 119.070 -0.190 0.000 2.622 160 H HA 0.369 4.926 4.556 0.002 0.000 0.269 160 H C 1.443 176.711 175.328 -0.099 0.000 0.977 160 H CA 0.698 56.633 56.048 -0.187 0.000 1.179 160 H CB 0.636 30.220 29.762 -0.298 0.000 1.458 160 H HN 0.584 nan 8.280 nan 0.000 0.531 161 G N 0.699 109.508 108.800 0.015 0.000 2.144 161 G HA2 -0.240 3.721 3.960 0.002 0.000 0.218 161 G HA3 -0.240 3.721 3.960 0.002 0.000 0.218 161 G C 0.017 174.934 174.900 0.028 0.000 0.988 161 G CA -0.038 45.069 45.100 0.012 0.000 0.659 161 G HN 0.264 nan 8.290 nan 0.000 0.522 162 I N 1.890 122.484 120.570 0.040 0.000 2.325 162 I HA 0.296 4.468 4.170 0.002 0.000 0.291 162 I C -1.768 174.366 176.117 0.029 0.000 1.019 162 I CA -2.285 59.042 61.300 0.044 0.000 1.302 162 I CB 1.286 39.322 38.000 0.061 0.000 1.401 162 I HN -0.148 nan 8.210 nan 0.000 0.485 163 P HA -0.008 nan 4.420 nan 0.000 0.264 163 P C -0.701 176.605 177.300 0.010 0.000 1.183 163 P CA 0.025 63.134 63.100 0.015 0.000 0.763 163 P CB 0.450 32.161 31.700 0.017 0.000 0.807 164 V N 1.463 121.377 119.914 -0.000 0.000 3.046 164 V HA 0.757 4.878 4.120 0.002 0.000 0.316 164 V C -2.161 173.925 176.094 -0.013 0.000 1.104 164 V CA -2.035 60.260 62.300 -0.009 0.000 1.006 164 V CB 0.147 31.961 31.823 -0.014 0.000 1.058 164 V HN 0.354 nan 8.190 nan 0.000 0.440 172 Y N -2.073 118.211 120.300 -0.026 0.000 2.810 172 Y HA 0.697 5.248 4.550 0.002 0.000 0.355 172 Y C -1.203 174.680 175.900 -0.029 0.000 1.211 172 Y CA -1.155 56.927 58.100 -0.030 0.000 1.112 172 Y CB 0.199 38.640 38.460 -0.032 0.000 1.383 172 Y HN -0.075 nan 8.280 nan 0.000 0.458 173 S N 2.243 118.063 115.700 0.200 0.000 2.501 173 S HA 0.889 5.360 4.470 0.002 0.000 0.301 173 S C -0.836 173.793 174.600 0.048 0.000 1.096 173 S CA -0.742 57.504 58.200 0.077 0.000 1.063 173 S CB 0.384 63.581 63.200 -0.004 0.000 1.042 173 S HN 0.752 nan 8.310 nan 0.000 0.494 174 M N 2.534 122.111 119.600 -0.039 0.000 2.644 174 M HA 0.670 5.151 4.480 0.002 0.000 0.304 174 M C -1.687 174.489 176.300 -0.205 0.000 1.215 174 M CA -0.954 54.204 55.300 -0.236 0.000 0.871 174 M CB 1.919 34.303 32.600 -0.359 0.000 1.740 174 M HN 0.515 nan 8.290 nan 0.000 0.464 175 D N 1.316 121.556 120.400 -0.267 0.000 2.736 175 D HA 0.700 5.341 4.640 0.002 0.000 0.243 175 D C -1.862 174.341 176.300 -0.161 0.000 1.304 175 D CA -0.023 53.889 54.000 -0.147 0.000 0.934 175 D CB 1.855 42.621 40.800 -0.057 0.000 1.382 175 D HN 0.905 nan 8.370 nan 0.000 0.571 176 A N 3.456 126.209 122.820 -0.112 0.000 2.355 176 A HA 0.864 5.185 4.320 0.002 0.000 0.324 176 A C -0.520 177.059 177.584 -0.009 0.000 1.117 176 A CA -0.651 51.350 52.037 -0.060 0.000 0.785 176 A CB 1.113 20.065 19.000 -0.080 0.000 1.254 176 A HN 0.740 nan 8.150 nan 0.000 0.453 177 N N -0.279 118.464 118.700 0.072 0.000 3.277 177 N HA 0.200 4.941 4.740 0.002 0.000 0.278 177 N C 0.019 175.618 175.510 0.147 0.000 1.544 177 N CA -0.830 52.240 53.050 0.033 0.000 0.869 177 N CB 0.237 38.669 38.487 -0.092 0.000 1.584 177 N HN 0.306 nan 8.380 nan 0.000 0.564 178 L N -0.405 120.938 121.223 0.200 0.000 2.261 178 L HA -0.015 4.326 4.340 0.002 0.000 0.216 178 L C 1.510 178.513 176.870 0.222 0.000 1.114 178 L CA 1.186 56.162 54.840 0.227 0.000 0.777 178 L CB -0.254 41.970 42.059 0.275 0.000 0.910 178 L HN 0.589 nan 8.230 nan 0.000 0.440 179 L N -1.574 119.821 121.223 0.286 0.000 2.202 179 L HA 0.003 4.344 4.340 0.002 0.000 0.205 179 L C 0.787 177.805 176.870 0.247 0.000 1.083 179 L CA 0.339 55.283 54.840 0.173 0.000 0.790 179 L CB 0.133 42.235 42.059 0.072 0.000 0.942 179 L HN 0.481 nan 8.230 nan 0.000 0.452 180 H N -2.271 116.888 119.070 0.148 0.000 2.863 180 H HA 0.399 4.956 4.556 0.002 0.000 0.274 180 H C -1.482 173.924 175.328 0.130 0.000 1.457 180 H CA -1.325 54.821 56.048 0.164 0.000 1.151 180 H CB 0.742 30.635 29.762 0.219 0.000 1.844 180 H HN -0.103 nan 8.280 nan 0.000 0.562 181 I N 1.585 122.061 120.570 -0.156 0.000 2.478 181 I HA 0.305 4.476 4.170 0.002 0.000 0.287 181 I C -0.192 175.497 176.117 -0.714 0.000 1.042 181 I CA -0.755 60.294 61.300 -0.418 0.000 1.067 181 I CB 1.961 39.815 38.000 -0.243 0.000 1.233 181 I HN 0.623 nan 8.210 nan 0.000 0.431 182 S N 6.066 121.268 115.700 -0.829 0.000 2.541 182 S HA 0.646 5.117 4.470 0.002 0.000 0.283 182 S C -1.343 172.827 174.600 -0.717 0.000 1.196 182 S CA -0.178 57.681 58.200 -0.567 0.000 1.062 182 S CB 0.632 63.748 63.200 -0.139 0.000 1.009 182 S HN 0.366 nan 8.310 nan 0.000 0.502 183 Y N 2.274 122.294 120.300 -0.468 0.000 2.346 183 Y HA 0.528 5.079 4.550 0.002 0.000 0.332 183 Y C 0.080 175.750 175.900 -0.383 0.000 0.985 183 Y CA -0.684 57.169 58.100 -0.412 0.000 1.112 183 Y CB 1.693 39.788 38.460 -0.609 0.000 1.170 183 Y HN 0.850 nan 8.280 nan 0.000 0.447 184 E N 1.190 121.338 120.200 -0.087 0.000 2.416 184 E HA 0.753 5.104 4.350 0.002 0.000 0.280 184 E C -0.490 176.115 176.600 0.009 0.000 1.055 184 E CA -1.220 55.136 56.400 -0.073 0.000 0.825 184 E CB 2.206 31.846 29.700 -0.101 0.000 1.312 184 E HN 0.924 nan 8.360 nan 0.000 0.452 185 G N -0.397 108.409 108.800 0.010 0.000 2.661 185 G HA2 0.315 4.276 3.960 0.002 0.000 0.685 185 G HA3 0.315 4.276 3.960 0.002 0.000 0.685 185 G C 0.647 175.584 174.900 0.062 0.000 1.298 185 G CA 0.123 45.240 45.100 0.029 0.000 0.855 185 G HN 1.784 nan 8.290 nan 0.000 0.560 186 G N -1.337 107.490 108.800 0.046 0.000 2.651 186 G HA2 -0.131 3.830 3.960 0.002 0.000 0.315 186 G HA3 -0.131 3.830 3.960 0.002 0.000 0.315 186 G C 1.555 176.485 174.900 0.051 0.000 1.258 186 G CA 2.309 47.437 45.100 0.047 0.000 1.002 186 G HN 2.095 nan 8.290 nan 0.000 0.551 187 V N 0.676 120.632 119.914 0.070 0.000 2.568 187 V HA -0.141 3.980 4.120 0.002 0.000 0.253 187 V C 2.862 178.973 176.094 0.027 0.000 1.072 187 V CA 2.190 64.521 62.300 0.052 0.000 1.084 187 V CB -0.494 31.372 31.823 0.071 0.000 0.676 187 V HN 0.486 nan 8.190 nan 0.000 0.469 188 L N -0.226 121.010 121.223 0.022 0.000 2.465 188 L HA -0.023 4.318 4.340 0.002 0.000 0.224 188 L C 2.223 179.089 176.870 -0.006 0.000 1.145 188 L CA 1.237 56.061 54.840 -0.027 0.000 0.834 188 L CB -1.219 40.799 42.059 -0.068 0.000 0.944 188 L HN 0.459 nan 8.230 nan 0.000 0.451 189 E N -0.811 119.399 120.200 0.016 0.000 2.472 189 E HA -0.139 4.212 4.350 0.002 0.000 0.200 189 E C 0.276 176.898 176.600 0.038 0.000 1.046 189 E CA 0.225 56.639 56.400 0.025 0.000 0.871 189 E CB 0.041 29.758 29.700 0.029 0.000 0.806 189 E HN 0.282 nan 8.360 nan 0.000 0.533 190 D N 0.833 121.258 120.400 0.043 0.000 2.443 190 D HA 0.042 4.683 4.640 0.002 0.000 0.221 190 D C -1.646 174.705 176.300 0.085 0.000 1.097 190 D CA -2.642 51.402 54.000 0.073 0.000 0.865 190 D CB 1.111 41.962 40.800 0.084 0.000 1.034 190 D HN -0.123 nan 8.370 nan 0.000 0.511 191 P HA -0.087 nan 4.420 nan 0.000 0.234 191 P C 0.928 178.331 177.300 0.172 0.000 1.162 191 P CA 0.442 63.604 63.100 0.103 0.000 0.759 191 P CB -0.017 31.745 31.700 0.102 0.000 0.813 192 W N 0.571 121.865 121.300 -0.011 0.000 3.177 192 W HA 0.417 5.078 4.660 0.002 0.000 0.309 192 W C -0.562 175.948 176.519 -0.015 0.000 1.224 192 W CA -0.007 57.331 57.345 -0.011 0.000 1.718 192 W CB 0.591 30.048 29.460 -0.006 0.000 1.078 192 W HN -0.180 nan 8.180 nan 0.000 0.618 193 A N 2.144 124.958 122.820 -0.011 0.000 2.260 193 A HA 0.251 4.572 4.320 0.002 0.000 0.308 193 A C -0.176 177.326 177.584 -0.137 0.000 1.254 193 A CA -0.384 51.597 52.037 -0.094 0.000 0.874 193 A CB 0.404 19.401 19.000 -0.005 0.000 1.153 193 A HN 0.360 nan 8.150 nan 0.000 0.527 194 E N 3.259 123.348 120.200 -0.186 0.000 2.415 194 E HA 0.226 4.577 4.350 0.002 0.000 0.262 194 E C -2.091 174.429 176.600 -0.134 0.000 1.038 194 E CA -1.236 55.066 56.400 -0.162 0.000 0.921 194 E CB 0.319 29.922 29.700 -0.162 0.000 0.950 194 E HN 0.423 nan 8.360 nan 0.000 0.438 195 P HA 0.064 nan 4.420 nan 0.000 0.268 195 P C -2.428 174.765 177.300 -0.178 0.000 1.208 195 P CA -0.769 62.200 63.100 -0.218 0.000 0.777 195 P CB -0.007 31.493 31.700 -0.333 0.000 0.875 196 P HA 0.032 nan 4.420 nan 0.000 0.269 196 P C -0.591 176.644 177.300 -0.109 0.000 1.209 196 P CA 0.036 63.075 63.100 -0.102 0.000 0.776 196 P CB 0.603 32.284 31.700 -0.031 0.000 0.876 197 K N 1.055 121.420 120.400 -0.057 0.000 2.485 197 K HA 0.245 4.566 4.320 0.002 0.000 0.277 197 K C 1.301 177.880 176.600 -0.034 0.000 0.990 197 K CA 0.504 56.769 56.287 -0.036 0.000 0.994 197 K CB -0.479 32.007 32.500 -0.023 0.000 0.906 197 K HN 0.825 nan 8.250 nan 0.000 0.488 198 G N 2.107 110.897 108.800 -0.017 0.000 2.168 198 G HA2 -0.343 3.618 3.960 0.002 0.000 0.263 198 G HA3 -0.343 3.618 3.960 0.002 0.000 0.263 198 G C 0.621 175.491 174.900 -0.050 0.000 0.977 198 G CA 0.660 45.755 45.100 -0.009 0.000 0.659 198 G HN 0.738 nan 8.290 nan 0.000 0.533 199 M N -0.705 118.780 119.600 -0.191 0.000 2.099 199 M HA 0.296 4.777 4.480 0.002 0.000 0.262 199 M C 1.058 177.029 176.300 -0.548 0.000 1.067 199 M CA 0.830 55.865 55.300 -0.442 0.000 1.124 199 M CB 0.019 32.072 32.600 -0.911 0.000 1.353 199 M HN 0.146 nan 8.290 nan 0.000 0.410 200 F N 0.794 120.512 119.950 -0.387 0.000 2.572 200 F HA 0.008 4.536 4.527 0.002 0.000 0.370 200 F C 1.423 177.201 175.800 -0.036 0.000 1.103 200 F CA 0.504 58.344 58.000 -0.267 0.000 1.286 200 F CB 0.393 39.276 39.000 -0.195 0.000 1.105 200 F HN 0.086 nan 8.300 nan 0.000 0.583 201 R N 1.545 122.220 120.500 0.292 0.000 2.310 201 R HA 0.185 4.526 4.340 0.002 0.000 0.199 201 R C 1.676 178.079 176.300 0.171 0.000 0.891 201 R CA 0.088 56.310 56.100 0.205 0.000 1.060 201 R CB 0.100 30.522 30.300 0.203 0.000 1.188 201 R HN 0.680 nan 8.270 nan 0.000 0.607 202 M N 1.052 120.779 119.600 0.211 0.000 2.334 202 M HA 0.050 4.531 4.480 0.002 0.000 0.266 202 M C 0.031 176.396 176.300 0.108 0.000 1.082 202 M CA 0.998 56.388 55.300 0.150 0.000 1.141 202 M CB 0.655 33.358 32.600 0.171 0.000 1.380 202 M HN 0.032 nan 8.290 nan 0.000 0.440 203 T N -1.486 113.129 114.554 0.101 0.000 2.856 203 T HA 0.348 4.699 4.350 0.002 0.000 0.283 203 T C -0.631 174.062 174.700 -0.011 0.000 1.008 203 T CA -0.911 61.198 62.100 0.015 0.000 0.997 203 T CB 2.015 70.842 68.868 -0.069 0.000 0.992 203 T HN 0.307 nan 8.240 nan 0.000 0.454 204 Q N 1.430 121.208 119.800 -0.037 0.000 2.327 204 Q HA 0.171 4.512 4.340 0.002 0.000 0.254 204 Q C -0.295 175.654 176.000 -0.085 0.000 0.952 204 Q CA -0.608 55.166 55.803 -0.049 0.000 0.884 204 Q CB 0.700 29.398 28.738 -0.067 0.000 1.224 204 Q HN 0.771 nan 8.270 nan 0.000 0.422 205 D N 4.683 125.041 120.400 -0.069 0.000 2.520 205 D HA -0.024 4.617 4.640 0.002 0.000 0.243 205 D C -1.843 174.393 176.300 -0.107 0.000 1.160 205 D CA -1.343 52.605 54.000 -0.087 0.000 0.877 205 D CB 1.118 41.889 40.800 -0.048 0.000 1.150 205 D HN 0.387 nan 8.370 nan 0.000 0.494 206 P HA -0.169 nan 4.420 nan 0.000 0.217 206 P C 0.664 177.885 177.300 -0.132 0.000 1.148 206 P CA 1.292 64.309 63.100 -0.139 0.000 0.834 206 P CB 0.182 31.796 31.700 -0.143 0.000 0.783 207 E N -0.898 119.242 120.200 -0.101 0.000 2.338 207 E HA -0.129 4.222 4.350 0.002 0.000 0.197 207 E C 1.197 177.753 176.600 -0.073 0.000 1.007 207 E CA 0.746 57.098 56.400 -0.080 0.000 0.849 207 E CB -0.235 29.430 29.700 -0.058 0.000 0.774 207 E HN 0.348 nan 8.360 nan 0.000 0.506 208 E N -0.439 119.714 120.200 -0.078 0.000 2.538 208 E HA 0.226 4.577 4.350 0.002 0.000 0.207 208 E C 0.043 176.590 176.600 -0.089 0.000 1.002 208 E CA -0.062 56.297 56.400 -0.068 0.000 0.952 208 E CB 0.728 30.397 29.700 -0.053 0.000 1.031 208 E HN 0.113 nan 8.360 nan 0.000 0.476 209 A N 2.630 125.378 122.820 -0.120 0.000 2.332 209 A HA 0.443 4.764 4.320 0.002 0.000 0.258 209 A C -2.276 175.226 177.584 -0.136 0.000 1.087 209 A CA -1.217 50.723 52.037 -0.161 0.000 0.802 209 A CB -0.243 18.650 19.000 -0.177 0.000 1.042 209 A HN -0.150 nan 8.150 nan 0.000 0.489 210 P HA -0.049 nan 4.420 nan 0.000 0.266 210 P C -0.074 177.260 177.300 0.056 0.000 1.180 210 P CA 0.335 63.410 63.100 -0.042 0.000 0.765 210 P CB 0.421 32.094 31.700 -0.045 0.000 0.806 211 D N 0.696 121.156 120.400 0.100 0.000 2.323 211 D HA 0.039 4.680 4.640 0.002 0.000 0.209 211 D C 0.483 176.957 176.300 0.291 0.000 0.973 211 D CA 0.576 54.686 54.000 0.185 0.000 0.874 211 D CB 0.398 41.266 40.800 0.113 0.000 0.930 211 D HN 0.363 nan 8.370 nan 0.000 0.521 212 A N 1.876 124.833 122.820 0.227 0.000 2.304 212 A HA 0.530 4.851 4.320 0.002 0.000 0.323 212 A C -2.433 175.304 177.584 0.256 0.000 1.195 212 A CA -1.284 50.866 52.037 0.187 0.000 0.826 212 A CB 1.017 20.094 19.000 0.128 0.000 1.184 212 A HN -0.167 nan 8.150 nan 0.000 0.496 213 P HA 0.234 nan 4.420 nan 0.000 0.270 213 P C -0.483 176.813 177.300 -0.007 0.000 1.223 213 P CA -0.106 63.047 63.100 0.087 0.000 0.785 213 P CB 0.581 32.166 31.700 -0.193 0.000 0.923 214 E N 0.965 121.067 120.200 -0.165 0.000 2.210 214 E HA 0.300 4.651 4.350 0.002 0.000 0.266 214 E C -1.268 175.228 176.600 -0.173 0.000 0.883 214 E CA -0.667 55.688 56.400 -0.076 0.000 0.761 214 E CB 0.648 30.336 29.700 -0.020 0.000 1.156 214 E HN 0.290 nan 8.360 nan 0.000 0.412 215 Y N 1.928 122.224 120.300 -0.007 0.000 2.334 215 Y HA 0.492 5.043 4.550 0.002 0.000 0.328 215 Y C -0.057 175.848 175.900 0.008 0.000 1.130 215 Y CA -0.485 57.614 58.100 -0.002 0.000 1.163 215 Y CB 1.857 40.319 38.460 0.004 0.000 1.207 215 Y HN 0.285 nan 8.280 nan 0.000 0.471 216 V N 3.164 123.176 119.914 0.164 0.000 2.841 216 V HA 0.511 4.632 4.120 0.002 0.000 0.310 216 V C -1.339 174.821 176.094 0.110 0.000 1.090 216 V CA -0.616 61.751 62.300 0.110 0.000 0.930 216 V CB 2.155 34.019 31.823 0.070 0.000 1.014 216 V HN 0.873 nan 8.190 nan 0.000 0.425 217 E N 4.077 124.328 120.200 0.085 0.000 2.210 217 E HA 0.672 5.023 4.350 0.002 0.000 0.266 217 E C -1.598 175.036 176.600 0.056 0.000 0.883 217 E CA -0.696 55.750 56.400 0.077 0.000 0.761 217 E CB 2.602 32.339 29.700 0.062 0.000 1.156 217 E HN 0.512 nan 8.360 nan 0.000 0.412 218 V N 2.456 122.411 119.914 0.069 0.000 2.487 218 V HA 0.235 4.356 4.120 0.002 0.000 0.298 218 V C -0.201 175.904 176.094 0.018 0.000 1.028 218 V CA -0.772 61.529 62.300 0.003 0.000 0.860 218 V CB 1.711 33.530 31.823 -0.007 0.000 0.991 218 V HN 0.664 nan 8.190 nan 0.000 0.427 219 E N 3.306 123.461 120.200 -0.074 0.000 2.216 219 E HA 0.553 4.904 4.350 0.002 0.000 0.279 219 E C -1.744 174.769 176.600 -0.145 0.000 0.997 219 E CA -0.447 55.950 56.400 -0.004 0.000 0.817 219 E CB 1.127 30.830 29.700 0.005 0.000 1.096 219 E HN 0.498 nan 8.360 nan 0.000 0.393 220 F N 3.363 123.323 119.950 0.016 0.000 2.508 220 F HA 0.460 4.988 4.527 0.002 0.000 0.325 220 F C -0.616 175.234 175.800 0.084 0.000 1.090 220 F CA -0.794 57.204 58.000 -0.003 0.000 0.945 220 F CB 1.393 40.350 39.000 -0.072 0.000 1.156 220 F HN 0.374 nan 8.300 nan 0.000 0.463 221 F N 2.497 122.495 119.950 0.079 0.000 2.539 221 F HA 0.365 4.893 4.527 0.002 0.000 0.328 221 F C 0.146 175.962 175.800 0.026 0.000 1.148 221 F CA -1.040 56.982 58.000 0.038 0.000 0.940 221 F CB 1.008 40.013 39.000 0.008 0.000 1.194 221 F HN 0.723 nan 8.300 nan 0.000 0.438 222 E N 4.192 123.995 120.200 -0.662 0.000 2.328 222 E HA -0.247 4.104 4.350 0.002 0.000 0.233 222 E C 1.089 177.556 176.600 -0.223 0.000 1.219 222 E CA 0.973 57.066 56.400 -0.510 0.000 0.717 222 E CB -1.285 28.009 29.700 -0.678 0.000 1.210 222 E HN 1.280 nan 8.360 nan 0.000 0.381 223 G N -0.417 108.308 108.800 -0.125 0.000 2.217 223 G HA2 -0.247 3.714 3.960 0.002 0.000 0.246 223 G HA3 -0.247 3.714 3.960 0.002 0.000 0.246 223 G C -0.197 174.700 174.900 -0.005 0.000 0.990 223 G CA 0.244 45.298 45.100 -0.078 0.000 0.627 223 G HN 0.347 nan 8.290 nan 0.000 0.522 224 D N 1.519 121.914 120.400 -0.009 0.000 2.350 224 D HA 0.518 5.159 4.640 0.002 0.000 0.245 224 D C -2.599 173.524 176.300 -0.294 0.000 1.036 224 D CA -1.327 52.523 54.000 -0.250 0.000 0.848 224 D CB 2.441 43.107 40.800 -0.223 0.000 1.307 224 D HN 0.117 nan 8.370 nan 0.000 0.469 225 P HA 0.035 nan 4.420 nan 0.000 0.276 225 P C 0.613 177.717 177.300 -0.326 0.000 1.235 225 P CA -0.280 62.282 63.100 -0.897 0.000 0.772 225 P CB 1.323 32.447 31.700 -0.961 0.000 0.871 226 V N -0.038 119.744 119.914 -0.220 0.000 3.562 226 V HA 0.663 4.784 4.120 0.002 0.000 0.270 226 V C 0.432 176.496 176.094 -0.051 0.000 1.418 226 V CA 0.261 62.529 62.300 -0.054 0.000 1.033 226 V CB -0.068 31.756 31.823 0.001 0.000 0.820 226 V HN 0.618 nan 8.190 nan 0.000 0.441 227 A N -0.256 122.511 122.820 -0.089 0.000 2.594 227 A HA 0.852 5.173 4.320 0.002 0.000 0.295 227 A C -1.335 176.215 177.584 -0.056 0.000 1.071 227 A CA -0.476 51.531 52.037 -0.051 0.000 0.685 227 A CB 2.309 21.289 19.000 -0.034 0.000 1.285 227 A HN 0.474 nan 8.150 nan 0.000 0.405 228 V N 2.387 122.287 119.914 -0.023 0.000 2.531 228 V HA 0.380 4.501 4.120 0.002 0.000 0.301 228 V C -0.146 175.954 176.094 0.011 0.000 1.034 228 V CA -0.747 61.549 62.300 -0.006 0.000 0.865 228 V CB 1.487 33.313 31.823 0.006 0.000 0.995 228 V HN 0.967 nan 8.190 nan 0.000 0.424 229 N N 3.901 122.614 118.700 0.021 0.000 2.710 229 N HA -0.236 4.505 4.740 0.002 0.000 0.249 229 N C 1.216 176.736 175.510 0.017 0.000 1.059 229 N CA 1.563 54.629 53.050 0.027 0.000 0.720 229 N CB -0.945 37.564 38.487 0.037 0.000 0.983 229 N HN 1.577 nan 8.380 nan 0.000 0.544 230 G N -0.539 108.267 108.800 0.010 0.000 2.205 230 G HA2 -0.356 3.606 3.960 0.002 0.000 0.261 230 G HA3 -0.356 3.606 3.960 0.002 0.000 0.261 230 G C -0.192 174.708 174.900 -0.001 0.000 0.980 230 G CA 0.613 45.715 45.100 0.004 0.000 0.632 230 G HN 0.661 nan 8.290 nan 0.000 0.533 231 E N 1.226 121.427 120.200 0.001 0.000 2.115 231 E HA 0.448 4.799 4.350 0.002 0.000 0.282 231 E C 0.513 177.110 176.600 -0.005 0.000 0.987 231 E CA -0.957 55.443 56.400 0.000 0.000 0.797 231 E CB 0.378 30.082 29.700 0.007 0.000 1.086 231 E HN 0.161 nan 8.360 nan 0.000 0.397 232 R N 4.085 124.579 120.500 -0.010 0.000 2.489 232 R HA 0.290 4.631 4.340 0.002 0.000 0.287 232 R C -0.347 175.952 176.300 -0.002 0.000 1.053 232 R CA 0.083 56.175 56.100 -0.013 0.000 1.036 232 R CB 0.109 30.396 30.300 -0.021 0.000 0.966 232 R HN 0.555 nan 8.270 nan 0.000 0.432 233 L N 1.021 122.247 121.223 0.005 0.000 2.422 233 L HA 0.297 4.638 4.340 0.002 0.000 0.264 233 L C 0.484 177.372 176.870 0.031 0.000 0.984 233 L CA -0.885 53.964 54.840 0.016 0.000 0.819 233 L CB 2.244 44.315 42.059 0.019 0.000 1.330 233 L HN 0.684 nan 8.230 nan 0.000 0.410 234 S N 1.056 116.772 115.700 0.026 0.000 2.596 234 S HA 0.249 4.720 4.470 0.002 0.000 0.260 234 S C -2.013 172.602 174.600 0.025 0.000 1.336 234 S CA -0.816 57.400 58.200 0.027 0.000 0.993 234 S CB 0.725 63.932 63.200 0.012 0.000 0.923 234 S HN 0.431 nan 8.310 nan 0.000 0.567 235 P HA -0.149 nan 4.420 nan 0.000 0.214 235 P C 1.652 178.855 177.300 -0.161 0.000 1.169 235 P CA 2.282 65.284 63.100 -0.164 0.000 0.908 235 P CB -0.294 31.122 31.700 -0.473 0.000 0.791 236 A N -0.587 122.159 122.820 -0.125 0.000 1.930 236 A HA -0.056 4.265 4.320 0.002 0.000 0.217 236 A C 2.300 179.877 177.584 -0.011 0.000 1.175 236 A CA 1.942 53.941 52.037 -0.064 0.000 0.627 236 A CB -1.585 17.401 19.000 -0.024 0.000 0.815 236 A HN 0.190 nan 8.150 nan 0.000 0.443 237 A N -0.332 122.487 122.820 -0.001 0.000 1.902 237 A HA -0.048 4.273 4.320 0.002 0.000 0.217 237 A C 2.196 179.796 177.584 0.026 0.000 1.181 237 A CA 1.497 53.544 52.037 0.016 0.000 0.623 237 A CB -0.598 18.412 19.000 0.016 0.000 0.818 237 A HN 0.604 nan 8.150 nan 0.000 0.443 238 L N -0.846 120.398 121.223 0.034 0.000 2.056 238 L HA -0.083 4.258 4.340 0.002 0.000 0.207 238 L C 2.409 179.315 176.870 0.060 0.000 1.078 238 L CA 1.289 56.160 54.840 0.051 0.000 0.749 238 L CB -0.137 41.974 42.059 0.088 0.000 0.901 238 L HN 0.461 nan 8.230 nan 0.000 0.433 239 L N -0.602 120.657 121.223 0.061 0.000 2.093 239 L HA -0.230 4.111 4.340 0.002 0.000 0.208 239 L C 2.602 179.507 176.870 0.059 0.000 1.085 239 L CA 1.398 56.277 54.840 0.065 0.000 0.755 239 L CB -0.176 41.904 42.059 0.035 0.000 0.904 239 L HN 0.447 nan 8.230 nan 0.000 0.435 240 Q N 0.467 120.296 119.800 0.048 0.000 2.020 240 Q HA -0.290 4.051 4.340 0.002 0.000 0.202 240 Q C 2.158 178.189 176.000 0.052 0.000 0.982 240 Q CA 2.040 57.873 55.803 0.050 0.000 0.838 240 Q CB -0.265 28.496 28.738 0.040 0.000 0.899 240 Q HN 0.202 nan 8.270 nan 0.000 0.423 241 R N 0.012 120.540 120.500 0.046 0.000 2.083 241 R HA -0.064 4.277 4.340 0.002 0.000 0.237 241 R C 2.122 178.456 176.300 0.057 0.000 1.137 241 R CA 1.866 57.994 56.100 0.047 0.000 0.951 241 R CB -0.831 29.492 30.300 0.039 0.000 0.851 241 R HN 0.480 nan 8.270 nan 0.000 0.434 242 L N 0.466 121.725 121.223 0.059 0.000 2.275 242 L HA -0.097 4.244 4.340 0.002 0.000 0.215 242 L C 1.622 178.540 176.870 0.079 0.000 1.119 242 L CA 0.842 55.723 54.840 0.069 0.000 0.790 242 L CB -0.503 41.597 42.059 0.068 0.000 0.919 242 L HN 0.260 nan 8.230 nan 0.000 0.443 243 N N 0.267 119.013 118.700 0.077 0.000 2.216 243 N HA -0.146 4.595 4.740 0.002 0.000 0.183 243 N C 1.702 177.258 175.510 0.077 0.000 1.017 243 N CA 1.062 54.162 53.050 0.083 0.000 0.861 243 N CB -0.013 38.524 38.487 0.084 0.000 0.986 243 N HN 0.407 nan 8.380 nan 0.000 0.428 244 E N 0.724 120.965 120.200 0.069 0.000 2.031 244 E HA -0.068 4.283 4.350 0.002 0.000 0.193 244 E C 2.037 178.684 176.600 0.079 0.000 0.994 244 E CA 0.766 57.203 56.400 0.063 0.000 0.800 244 E CB -0.082 29.650 29.700 0.054 0.000 0.752 244 E HN 0.297 nan 8.360 nan 0.000 0.447 245 I N 0.843 121.470 120.570 0.095 0.000 2.142 245 I HA -0.211 3.960 4.170 0.002 0.000 0.240 245 I C 2.581 178.816 176.117 0.197 0.000 1.078 245 I CA 1.395 62.779 61.300 0.140 0.000 1.343 245 I CB -0.634 37.434 38.000 0.113 0.000 1.046 245 I HN 0.193 nan 8.210 nan 0.000 0.405 246 G N 0.252 109.134 108.800 0.137 0.000 2.408 246 G HA2 -0.150 3.811 3.960 0.002 0.000 0.217 246 G HA3 -0.150 3.811 3.960 0.002 0.000 0.217 246 G C 1.706 176.677 174.900 0.119 0.000 1.150 246 G CA 0.770 45.950 45.100 0.132 0.000 0.776 246 G HN 0.506 nan 8.290 nan 0.000 0.542 247 G N 0.523 109.374 108.800 0.086 0.000 2.446 247 G HA2 -0.254 3.708 3.960 0.002 0.000 0.217 247 G HA3 -0.254 3.708 3.960 0.002 0.000 0.217 247 G C 1.770 176.677 174.900 0.012 0.000 1.168 247 G CA 1.033 46.163 45.100 0.049 0.000 0.771 247 G HN 0.473 nan 8.290 nan 0.000 0.551 248 R N -0.222 120.278 120.500 0.000 0.000 2.139 248 R HA -0.161 4.180 4.340 0.002 0.000 0.243 248 R C 1.898 178.043 176.300 -0.259 0.000 1.145 248 R CA 1.738 57.766 56.100 -0.121 0.000 0.976 248 R CB -0.295 29.922 30.300 -0.138 0.000 0.866 248 R HN 0.535 nan 8.270 nan 0.000 0.449 249 H N -1.942 117.113 119.070 -0.024 0.000 2.551 249 H HA 0.246 4.803 4.556 0.002 0.000 0.271 249 H C 0.924 176.200 175.328 -0.086 0.000 0.984 249 H CA 0.650 56.667 56.048 -0.051 0.000 1.164 249 H CB 1.149 30.894 29.762 -0.028 0.000 1.437 249 H HN 0.512 nan 8.280 nan 0.000 0.550 250 G N 0.596 109.387 108.800 -0.014 0.000 2.143 250 G HA2 -0.289 3.672 3.960 0.002 0.000 0.248 250 G HA3 -0.289 3.672 3.960 0.002 0.000 0.248 250 G C 0.109 174.955 174.900 -0.091 0.000 0.991 250 G CA 0.325 45.372 45.100 -0.088 0.000 0.689 250 G HN 0.250 nan 8.290 nan 0.000 0.522 251 V N -0.045 119.857 119.914 -0.020 0.000 2.775 251 V HA 0.568 4.689 4.120 0.002 0.000 0.299 251 V C 1.732 177.820 176.094 -0.010 0.000 1.062 251 V CA 1.483 63.774 62.300 -0.015 0.000 1.063 251 V CB 1.243 33.083 31.823 0.027 0.000 0.994 251 V HN 1.977 nan 8.190 nan 0.000 0.483 252 G N 3.932 112.731 108.800 -0.001 0.000 2.142 252 G HA2 -0.202 3.759 3.960 0.002 0.000 0.225 252 G HA3 -0.202 3.759 3.960 0.002 0.000 0.225 252 G C 0.027 174.950 174.900 0.038 0.000 1.015 252 G CA -0.224 44.902 45.100 0.042 0.000 0.716 252 G HN 0.653 nan 8.290 nan 0.000 0.508 253 R N -0.269 120.200 120.500 -0.052 0.000 2.312 253 R HA 0.656 4.997 4.340 0.002 0.000 0.311 253 R C 0.275 176.588 176.300 0.022 0.000 1.004 253 R CA -0.163 55.891 56.100 -0.077 0.000 0.902 253 R CB 2.128 32.193 30.300 -0.392 0.000 1.073 253 R HN 0.683 nan 8.270 nan 0.000 0.457 254 V N -1.423 118.575 119.914 0.139 0.000 3.007 254 V HA 0.582 4.703 4.120 0.002 0.000 0.311 254 V C -1.183 174.982 176.094 0.118 0.000 1.120 254 V CA -0.905 61.456 62.300 0.101 0.000 0.980 254 V CB 2.455 34.380 31.823 0.170 0.000 1.033 254 V HN 0.684 nan 8.190 nan 0.000 0.429 255 D N 3.059 123.450 120.400 -0.015 0.000 2.575 255 D HA 0.638 5.279 4.640 0.002 0.000 0.250 255 D C -0.829 175.427 176.300 -0.073 0.000 1.279 255 D CA -0.141 53.842 54.000 -0.030 0.000 0.925 255 D CB 1.629 42.393 40.800 -0.059 0.000 1.261 255 D HN 1.022 nan 8.370 nan 0.000 0.567 256 I N -0.410 120.164 120.570 0.008 0.000 2.994 256 I HA 0.628 4.800 4.170 0.002 0.000 0.306 256 I C -1.401 174.752 176.117 0.060 0.000 1.195 256 I CA -1.044 60.270 61.300 0.022 0.000 1.001 256 I CB 2.364 40.419 38.000 0.092 0.000 1.244 256 I HN -0.043 nan 8.210 nan 0.000 0.437 257 V N 3.727 123.680 119.914 0.064 0.000 2.328 257 V HA 0.337 4.458 4.120 0.002 0.000 0.278 257 V C 0.066 176.221 176.094 0.101 0.000 1.021 257 V CA -0.275 62.071 62.300 0.077 0.000 0.838 257 V CB 1.022 32.886 31.823 0.068 0.000 0.999 257 V HN 0.889 nan 8.190 nan 0.000 0.447 258 E N 4.756 125.037 120.200 0.135 0.000 2.232 258 E HA 0.447 4.798 4.350 0.002 0.000 0.264 258 E C -1.029 175.697 176.600 0.210 0.000 0.973 258 E CA -1.040 55.462 56.400 0.169 0.000 0.849 258 E CB 1.677 31.515 29.700 0.231 0.000 1.198 258 E HN 0.490 nan 8.360 nan 0.000 0.407 259 N N 2.012 120.863 118.700 0.251 0.000 2.426 259 N HA 0.191 4.932 4.740 0.002 0.000 0.257 259 N C -0.501 175.301 175.510 0.486 0.000 1.002 259 N CA -0.322 52.907 53.050 0.299 0.000 0.942 259 N CB 1.228 39.869 38.487 0.257 0.000 1.112 259 N HN 0.301 nan 8.380 nan 0.000 0.499 260 R N 0.733 121.486 120.500 0.421 0.000 2.679 260 R HA 0.089 4.430 4.340 0.002 0.000 0.269 260 R C 1.092 177.688 176.300 0.495 0.000 1.076 260 R CA -0.464 55.933 56.100 0.495 0.000 1.160 260 R CB 0.563 31.021 30.300 0.264 0.000 1.054 260 R HN 0.466 nan 8.270 nan 0.000 0.507 261 F N 1.827 121.942 119.950 0.276 0.000 2.293 261 F HA -0.083 4.445 4.527 0.002 0.000 0.300 261 F C 1.558 177.323 175.800 -0.058 0.000 1.086 261 F CA 1.060 59.042 58.000 -0.030 0.000 1.375 261 F CB 0.063 38.959 39.000 -0.174 0.000 1.045 261 F HN 0.195 nan 8.300 nan 0.000 0.516 262 V N 0.034 119.960 119.914 0.020 0.000 3.630 262 V HA 0.165 4.286 4.120 0.002 0.000 0.273 262 V C 1.721 177.785 176.094 -0.049 0.000 1.248 262 V CA 1.173 63.409 62.300 -0.107 0.000 1.170 262 V CB -0.528 31.267 31.823 -0.047 0.000 0.899 262 V HN 0.706 nan 8.190 nan 0.000 0.457 263 G N 0.129 108.943 108.800 0.022 0.000 2.339 263 G HA2 -0.199 3.762 3.960 0.002 0.000 0.209 263 G HA3 -0.199 3.762 3.960 0.002 0.000 0.209 263 G C 0.283 175.227 174.900 0.074 0.000 1.015 263 G CA 0.130 45.254 45.100 0.039 0.000 0.635 263 G HN 0.455 nan 8.290 nan 0.000 0.499 264 M N 0.709 120.357 119.600 0.081 0.000 2.654 264 M HA 0.812 5.293 4.480 0.002 0.000 0.310 264 M C -0.274 176.095 176.300 0.114 0.000 1.211 264 M CA -0.947 54.404 55.300 0.083 0.000 0.947 264 M CB 0.803 33.439 32.600 0.060 0.000 1.647 264 M HN 0.101 nan 8.290 nan 0.000 0.481 265 K N 0.966 121.427 120.400 0.101 0.000 2.185 265 K HA 0.527 4.848 4.320 0.002 0.000 0.271 265 K C -0.506 176.154 176.600 0.100 0.000 1.013 265 K CA -0.314 56.040 56.287 0.112 0.000 0.943 265 K CB 1.217 33.772 32.500 0.092 0.000 0.998 265 K HN 0.782 nan 8.250 nan 0.000 0.468 266 S N 1.275 117.042 115.700 0.111 0.000 2.548 266 S HA 0.266 4.737 4.470 0.002 0.000 0.276 266 S C -1.306 173.339 174.600 0.075 0.000 1.129 266 S CA -0.940 57.312 58.200 0.087 0.000 0.931 266 S CB 1.200 64.459 63.200 0.098 0.000 1.068 266 S HN 0.509 nan 8.310 nan 0.000 0.480 267 R N 2.776 123.300 120.500 0.040 0.000 2.216 267 R HA 0.515 4.856 4.340 0.002 0.000 0.332 267 R C 0.047 176.325 176.300 -0.036 0.000 1.056 267 R CA 0.000 56.109 56.100 0.014 0.000 0.901 267 R CB 0.294 30.596 30.300 0.004 0.000 1.039 267 R HN 0.804 nan 8.270 nan 0.000 0.456 268 G N 1.857 110.627 108.800 -0.049 0.000 2.482 268 G HA2 0.559 4.520 3.960 0.002 0.000 0.317 268 G HA3 0.559 4.520 3.960 0.002 0.000 0.317 268 G C -1.401 173.265 174.900 -0.389 0.000 1.241 268 G CA -0.376 44.577 45.100 -0.244 0.000 0.967 268 G HN 0.374 nan 8.290 nan 0.000 0.482 269 V N 1.130 120.638 119.914 -0.676 0.000 2.656 269 V HA 0.624 4.745 4.120 0.002 0.000 0.307 269 V C -1.302 174.437 176.094 -0.592 0.000 1.051 269 V CA -0.687 61.355 62.300 -0.429 0.000 0.893 269 V CB 1.295 32.933 31.823 -0.308 0.000 0.999 269 V HN 0.707 nan 8.190 nan 0.000 0.426 270 Y N 1.735 122.175 120.300 0.232 0.000 2.524 270 Y HA 0.623 5.174 4.550 0.002 0.000 0.347 270 Y C 0.003 176.115 175.900 0.354 0.000 1.005 270 Y CA -1.114 57.156 58.100 0.283 0.000 1.025 270 Y CB 1.998 40.665 38.460 0.344 0.000 1.275 270 Y HN 0.728 nan 8.280 nan 0.000 0.460 271 E N 0.030 120.526 120.200 0.494 0.000 2.216 271 E HA 0.599 4.950 4.350 0.002 0.000 0.260 271 E C -1.329 175.463 176.600 0.319 0.000 0.880 271 E CA -1.047 55.565 56.400 0.354 0.000 0.765 271 E CB 1.683 31.611 29.700 0.381 0.000 1.174 271 E HN 0.542 nan 8.360 nan 0.000 0.417 272 T N 4.565 119.270 114.554 0.251 0.000 3.585 272 T HA 0.198 4.549 4.350 0.002 0.000 0.252 272 T C -1.904 172.884 174.700 0.146 0.000 1.382 272 T CA -1.147 61.087 62.100 0.224 0.000 1.584 272 T CB 0.679 69.672 68.868 0.209 0.000 0.892 272 T HN 0.373 nan 8.240 nan 0.000 0.671 273 P HA -0.177 nan 4.420 nan 0.000 0.210 273 P C 1.913 179.275 177.300 0.104 0.000 1.185 273 P CA 1.515 64.675 63.100 0.100 0.000 0.924 273 P CB -0.168 31.587 31.700 0.091 0.000 0.786 274 G N -0.304 108.559 108.800 0.105 0.000 2.446 274 G HA2 -0.226 3.735 3.960 0.002 0.000 0.217 274 G HA3 -0.226 3.735 3.960 0.002 0.000 0.217 274 G C 1.979 176.942 174.900 0.105 0.000 1.168 274 G CA 1.176 46.336 45.100 0.100 0.000 0.771 274 G HN 0.450 nan 8.290 nan 0.000 0.551 275 G N -0.077 108.785 108.800 0.103 0.000 2.422 275 G HA2 -0.111 3.850 3.960 0.002 0.000 0.218 275 G HA3 -0.111 3.850 3.960 0.002 0.000 0.218 275 G C 1.823 176.787 174.900 0.106 0.000 1.146 275 G CA 1.687 46.843 45.100 0.094 0.000 0.769 275 G HN 0.394 nan 8.290 nan 0.000 0.547 276 T N 1.195 115.813 114.554 0.107 0.000 2.821 276 T HA 0.005 4.356 4.350 0.002 0.000 0.267 276 T C 2.371 177.193 174.700 0.203 0.000 1.046 276 T CA 0.715 62.888 62.100 0.121 0.000 1.139 276 T CB -0.098 68.845 68.868 0.124 0.000 0.871 276 T HN 0.250 nan 8.240 nan 0.000 0.454 277 I N 0.693 121.368 120.570 0.175 0.000 2.252 277 I HA -0.110 4.061 4.170 0.002 0.000 0.245 277 I C 2.193 178.425 176.117 0.191 0.000 1.102 277 I CA 1.132 62.542 61.300 0.184 0.000 1.385 277 I CB -0.329 37.746 38.000 0.126 0.000 1.064 277 I HN 0.200 nan 8.210 nan 0.000 0.414 278 L N -0.660 120.662 121.223 0.165 0.000 2.093 278 L HA -0.247 4.094 4.340 0.002 0.000 0.208 278 L C 2.655 179.611 176.870 0.144 0.000 1.085 278 L CA 1.327 56.279 54.840 0.188 0.000 0.755 278 L CB -0.698 41.448 42.059 0.145 0.000 0.904 278 L HN 0.256 nan 8.230 nan 0.000 0.435 279 Y N 0.365 120.639 120.300 -0.044 0.000 2.097 279 Y HA -0.317 4.234 4.550 0.002 0.000 0.282 279 Y C 2.886 178.657 175.900 -0.216 0.000 1.152 279 Y CA 1.885 59.872 58.100 -0.188 0.000 1.136 279 Y CB -0.264 37.993 38.460 -0.339 0.000 0.975 279 Y HN 0.191 nan 8.280 nan 0.000 0.498 280 H N -0.641 118.489 119.070 0.101 0.000 2.389 280 H HA -0.009 4.548 4.556 0.002 0.000 0.299 280 H C 2.329 177.621 175.328 -0.060 0.000 1.081 280 H CA 1.114 57.164 56.048 0.003 0.000 1.345 280 H CB -0.688 29.125 29.762 0.086 0.000 1.393 280 H HN 0.518 nan 8.280 nan 0.000 0.520 281 A N 1.487 124.381 122.820 0.123 0.000 1.902 281 A HA -0.185 4.136 4.320 0.002 0.000 0.217 281 A C 2.527 180.021 177.584 -0.150 0.000 1.181 281 A CA 1.537 53.652 52.037 0.129 0.000 0.623 281 A CB -0.501 18.708 19.000 0.349 0.000 0.818 281 A HN 0.331 nan 8.150 nan 0.000 0.443 282 R N -0.325 119.967 120.500 -0.347 0.000 2.080 282 R HA -0.148 4.193 4.340 0.002 0.000 0.236 282 R C 2.335 178.294 176.300 -0.568 0.000 1.137 282 R CA 1.684 57.279 56.100 -0.842 0.000 0.943 282 R CB -0.333 29.603 30.300 -0.607 0.000 0.846 282 R HN 0.500 nan 8.270 nan 0.000 0.431 283 R N 0.011 120.248 120.500 -0.438 0.000 2.096 283 R HA -0.101 4.241 4.340 0.002 0.000 0.235 283 R C 2.344 178.513 176.300 -0.218 0.000 1.127 283 R CA 1.263 57.164 56.100 -0.332 0.000 0.968 283 R CB -0.377 29.726 30.300 -0.328 0.000 0.861 283 R HN 0.330 nan 8.270 nan 0.000 0.440 284 A N 0.790 123.507 122.820 -0.171 0.000 1.902 284 A HA -0.110 4.211 4.320 0.002 0.000 0.217 284 A C 2.366 179.868 177.584 -0.137 0.000 1.181 284 A CA 1.393 53.366 52.037 -0.106 0.000 0.623 284 A CB -0.452 18.522 19.000 -0.042 0.000 0.818 284 A HN 0.114 nan 8.150 nan 0.000 0.443 285 V N -0.033 119.752 119.914 -0.215 0.000 2.453 285 V HA -0.219 3.903 4.120 0.002 0.000 0.247 285 V C 2.320 178.291 176.094 -0.206 0.000 1.048 285 V CA 2.052 64.228 62.300 -0.207 0.000 1.049 285 V CB -0.805 30.830 31.823 -0.313 0.000 0.672 285 V HN 0.617 nan 8.190 nan 0.000 0.457 286 E N 0.773 120.818 120.200 -0.258 0.000 2.153 286 E HA -0.195 4.157 4.350 0.002 0.000 0.194 286 E C 2.310 178.830 176.600 -0.133 0.000 0.988 286 E CA 1.518 57.794 56.400 -0.206 0.000 0.811 286 E CB -0.202 29.362 29.700 -0.227 0.000 0.746 286 E HN 0.753 nan 8.360 nan 0.000 0.466 287 S N 0.235 115.865 115.700 -0.116 0.000 2.469 287 S HA -0.084 4.387 4.470 0.002 0.000 0.238 287 S C 1.800 176.367 174.600 -0.054 0.000 0.998 287 S CA 0.713 58.868 58.200 -0.074 0.000 0.957 287 S CB -0.106 63.053 63.200 -0.068 0.000 0.764 287 S HN 0.197 nan 8.310 nan 0.000 0.514 288 L N 0.865 122.052 121.223 -0.060 0.000 2.537 288 L HA 0.163 4.504 4.340 0.002 0.000 0.224 288 L C 2.446 179.298 176.870 -0.029 0.000 1.065 288 L CA 1.075 55.901 54.840 -0.024 0.000 0.860 288 L CB -0.242 41.806 42.059 -0.020 0.000 1.086 288 L HN 0.520 nan 8.230 nan 0.000 0.482 289 T N -2.820 111.694 114.554 -0.066 0.000 3.040 289 T HA 0.311 4.662 4.350 0.002 0.000 0.250 289 T C 0.531 175.177 174.700 -0.089 0.000 1.058 289 T CA -0.089 61.965 62.100 -0.077 0.000 0.988 289 T CB 0.138 68.947 68.868 -0.098 0.000 0.993 289 T HN -0.050 nan 8.240 nan 0.000 0.519 290 L N 2.122 123.292 121.223 -0.088 0.000 2.334 290 L HA 0.484 4.825 4.340 0.002 0.000 0.276 290 L C -0.050 176.775 176.870 -0.076 0.000 1.014 290 L CA -1.122 53.665 54.840 -0.089 0.000 0.815 290 L CB 1.716 43.719 42.059 -0.095 0.000 1.268 290 L HN 0.250 nan 8.230 nan 0.000 0.428 291 D N 2.717 123.071 120.400 -0.077 0.000 2.399 291 D HA -0.021 4.620 4.640 0.002 0.000 0.241 291 D C 1.045 177.272 176.300 -0.122 0.000 1.133 291 D CA -0.134 53.817 54.000 -0.082 0.000 0.890 291 D CB 1.340 42.100 40.800 -0.068 0.000 1.201 291 D HN 0.549 nan 8.370 nan 0.000 0.432 292 R N 2.434 122.836 120.500 -0.164 0.000 2.112 292 R HA -0.202 4.139 4.340 0.002 0.000 0.242 292 R C 1.537 177.536 176.300 -0.502 0.000 1.137 292 R CA 1.649 57.550 56.100 -0.331 0.000 0.944 292 R CB 0.009 30.141 30.300 -0.280 0.000 0.857 292 R HN 0.537 nan 8.270 nan 0.000 0.435 293 E N 0.084 120.119 120.200 -0.276 0.000 2.072 293 E HA -0.126 4.225 4.350 0.002 0.000 0.191 293 E C 2.177 178.743 176.600 -0.056 0.000 0.985 293 E CA 1.109 57.411 56.400 -0.164 0.000 0.801 293 E CB -0.335 29.326 29.700 -0.065 0.000 0.750 293 E HN 0.244 nan 8.360 nan 0.000 0.452 294 V N 1.848 121.739 119.914 -0.038 0.000 2.255 294 V HA -0.264 3.857 4.120 0.002 0.000 0.247 294 V C 2.552 178.685 176.094 0.064 0.000 1.051 294 V CA 1.769 64.089 62.300 0.034 0.000 1.018 294 V CB -0.638 31.181 31.823 -0.006 0.000 0.641 294 V HN 0.172 nan 8.190 nan 0.000 0.445 295 L N 0.018 121.241 121.223 -0.000 0.000 1.990 295 L HA -0.258 4.083 4.340 0.002 0.000 0.213 295 L C 2.406 179.379 176.870 0.172 0.000 1.072 295 L CA 2.275 57.148 54.840 0.054 0.000 0.755 295 L CB -0.974 41.095 42.059 0.017 0.000 0.889 295 L HN 0.476 nan 8.230 nan 0.000 0.432 296 H N -1.871 117.222 119.070 0.037 0.000 2.387 296 H HA -0.208 4.350 4.556 0.002 0.000 0.299 296 H C 2.160 177.513 175.328 0.041 0.000 1.099 296 H CA 1.088 57.156 56.048 0.033 0.000 1.315 296 H CB 0.151 29.928 29.762 0.024 0.000 1.380 296 H HN 0.445 nan 8.280 nan 0.000 0.513 297 Q N 1.102 121.010 119.800 0.180 0.000 2.083 297 Q HA -0.120 4.221 4.340 0.002 0.000 0.198 297 Q C 2.378 178.448 176.000 0.117 0.000 0.969 297 Q CA 1.034 56.898 55.803 0.102 0.000 0.838 297 Q CB -0.058 28.729 28.738 0.082 0.000 0.900 297 Q HN 0.105 nan 8.270 nan 0.000 0.436 298 R N 0.489 121.135 120.500 0.243 0.000 2.083 298 R HA -0.147 4.194 4.340 0.002 0.000 0.237 298 R C 1.152 177.619 176.300 0.279 0.000 1.137 298 R CA 1.981 58.306 56.100 0.375 0.000 0.951 298 R CB -0.714 29.796 30.300 0.349 0.000 0.851 298 R HN 0.368 nan 8.270 nan 0.000 0.434 299 D N 0.019 120.522 120.400 0.171 0.000 2.218 299 D HA -0.116 4.525 4.640 0.002 0.000 0.204 299 D C 1.771 178.123 176.300 0.086 0.000 0.976 299 D CA 1.007 55.072 54.000 0.109 0.000 0.853 299 D CB -0.069 40.775 40.800 0.073 0.000 0.939 299 D HN 0.293 nan 8.370 nan 0.000 0.481 300 M N -0.570 119.076 119.600 0.077 0.000 2.558 300 M HA 0.065 4.546 4.480 0.002 0.000 0.255 300 M C 1.476 177.807 176.300 0.051 0.000 1.113 300 M CA 0.440 55.764 55.300 0.041 0.000 1.097 300 M CB 0.412 33.020 32.600 0.014 0.000 1.426 300 M HN -0.004 nan 8.290 nan 0.000 0.488 301 L N -1.904 119.382 121.223 0.106 0.000 2.470 301 L HA 0.068 4.409 4.340 0.002 0.000 0.219 301 L C 2.359 179.426 176.870 0.328 0.000 1.071 301 L CA 0.066 55.000 54.840 0.155 0.000 0.850 301 L CB -0.208 41.869 42.059 0.031 0.000 1.040 301 L HN 0.115 nan 8.230 nan 0.000 0.475 302 S N 1.009 116.883 115.700 0.290 0.000 2.368 302 S HA -0.156 4.315 4.470 0.002 0.000 0.226 302 S C -0.544 174.132 174.600 0.125 0.000 1.044 302 S CA 1.935 60.209 58.200 0.124 0.000 1.062 302 S CB -1.139 62.066 63.200 0.008 0.000 0.931 302 S HN 0.276 nan 8.310 nan 0.000 0.440 303 P HA -0.114 nan 4.420 nan 0.000 0.217 303 P C 1.317 178.663 177.300 0.076 0.000 1.148 303 P CA 1.199 64.328 63.100 0.047 0.000 0.828 303 P CB 0.062 31.764 31.700 0.003 0.000 0.783 304 K N -0.946 119.521 120.400 0.112 0.000 2.031 304 K HA -0.161 4.160 4.320 0.002 0.000 0.205 304 K C 2.149 178.832 176.600 0.138 0.000 1.049 304 K CA 1.326 57.673 56.287 0.099 0.000 0.939 304 K CB -1.465 31.093 32.500 0.096 0.000 0.717 304 K HN 0.059 nan 8.250 nan 0.000 0.438 305 Y N 0.326 120.689 120.300 0.105 0.000 2.224 305 Y HA -0.182 4.369 4.550 0.002 0.000 0.289 305 Y C 1.848 177.774 175.900 0.043 0.000 1.146 305 Y CA 1.835 60.002 58.100 0.112 0.000 1.182 305 Y CB -0.383 38.167 38.460 0.150 0.000 0.983 305 Y HN 0.143 nan 8.280 nan 0.000 0.524 306 A N 0.866 123.816 122.820 0.215 0.000 1.877 306 A HA -0.245 4.076 4.320 0.002 0.000 0.216 306 A C 2.109 179.716 177.584 0.038 0.000 1.186 306 A CA 1.884 54.001 52.037 0.134 0.000 0.620 306 A CB -0.914 18.177 19.000 0.150 0.000 0.822 306 A HN 0.739 nan 8.150 nan 0.000 0.443 307 E N 0.087 120.286 120.200 -0.002 0.000 2.150 307 E HA -0.131 4.220 4.350 0.002 0.000 0.193 307 E C 1.862 178.155 176.600 -0.511 0.000 0.985 307 E CA 1.089 57.306 56.400 -0.304 0.000 0.814 307 E CB -0.509 28.982 29.700 -0.347 0.000 0.752 307 E HN 0.581 nan 8.360 nan 0.000 0.466 308 L N 1.070 122.159 121.223 -0.223 0.000 2.017 308 L HA -0.165 4.176 4.340 0.002 0.000 0.208 308 L C 2.612 179.456 176.870 -0.043 0.000 1.073 308 L CA 0.946 55.740 54.840 -0.077 0.000 0.745 308 L CB -0.386 41.608 42.059 -0.108 0.000 0.894 308 L HN 0.096 nan 8.230 nan 0.000 0.432 309 V N -1.097 118.739 119.914 -0.131 0.000 2.343 309 V HA -0.334 3.787 4.120 0.002 0.000 0.247 309 V C 2.206 178.245 176.094 -0.093 0.000 1.051 309 V CA 1.842 64.109 62.300 -0.056 0.000 1.036 309 V CB -0.701 31.084 31.823 -0.062 0.000 0.654 309 V HN 0.381 nan 8.190 nan 0.000 0.451 310 Y N -0.221 119.893 120.300 -0.311 0.000 2.181 310 Y HA -0.247 4.304 4.550 0.002 0.000 0.288 310 Y C 2.406 178.188 175.900 -0.198 0.000 1.146 310 Y CA 1.718 59.587 58.100 -0.385 0.000 1.164 310 Y CB -0.239 37.686 38.460 -0.892 0.000 0.982 310 Y HN 0.277 nan 8.280 nan 0.000 0.515 311 Y N -0.444 119.719 120.300 -0.229 0.000 2.439 311 Y HA 0.160 4.711 4.550 0.002 0.000 0.292 311 Y C 2.228 177.832 175.900 -0.492 0.000 1.130 311 Y CA 0.578 58.359 58.100 -0.531 0.000 1.254 311 Y CB -0.648 37.283 38.460 -0.882 0.000 1.000 311 Y HN 0.263 nan 8.280 nan 0.000 0.554 312 G N -1.636 107.039 108.800 -0.208 0.000 2.159 312 G HA2 -0.229 3.732 3.960 0.002 0.000 0.170 312 G HA3 -0.229 3.732 3.960 0.002 0.000 0.170 312 G C -0.019 174.703 174.900 -0.296 0.000 1.007 312 G CA -0.491 44.446 45.100 -0.273 0.000 0.672 312 G HN 0.207 nan 8.290 nan 0.000 0.507 313 F N 1.192 121.154 119.950 0.021 0.000 2.660 313 F HA 0.370 4.898 4.527 0.002 0.000 0.342 313 F C 1.581 177.384 175.800 0.005 0.000 1.195 313 F CA -0.636 57.384 58.000 0.033 0.000 1.300 313 F CB -0.029 38.972 39.000 0.002 0.000 1.616 313 F HN 0.379 nan 8.300 nan 0.000 0.592 314 W N 0.163 121.424 121.300 -0.065 0.000 2.501 314 W HA -0.085 4.576 4.660 0.002 0.000 0.309 314 W C 0.143 176.536 176.519 -0.210 0.000 1.165 314 W CA 1.007 58.226 57.345 -0.211 0.000 1.381 314 W CB -0.303 28.961 29.460 -0.326 0.000 1.142 314 W HN 0.137 nan 8.180 nan 0.000 0.509 315 Y N 1.404 121.776 120.300 0.121 0.000 2.735 315 Y HA 0.430 4.981 4.550 0.002 0.000 0.354 315 Y C 0.405 176.338 175.900 0.054 0.000 1.288 315 Y CA -0.345 57.771 58.100 0.027 0.000 1.836 315 Y CB -0.636 37.907 38.460 0.139 0.000 1.920 315 Y HN -0.129 nan 8.280 nan 0.000 0.438 316 A N 1.677 124.556 122.820 0.100 0.000 2.435 316 A HA 0.500 4.821 4.320 0.002 0.000 0.304 316 A C -1.944 175.658 177.584 0.029 0.000 1.064 316 A CA -1.790 50.329 52.037 0.136 0.000 0.727 316 A CB 1.551 20.703 19.000 0.253 0.000 1.284 316 A HN 0.185 nan 8.150 nan 0.000 0.415 317 P HA -0.191 nan 4.420 nan 0.000 0.218 317 P C 0.554 177.838 177.300 -0.027 0.000 1.148 317 P CA 1.567 64.666 63.100 -0.001 0.000 0.822 317 P CB 0.311 32.017 31.700 0.010 0.000 0.784 318 E N 0.150 120.328 120.200 -0.037 0.000 2.051 318 E HA -0.153 4.198 4.350 0.002 0.000 0.192 318 E C 2.402 178.979 176.600 -0.039 0.000 0.991 318 E CA 0.927 57.297 56.400 -0.049 0.000 0.799 318 E CB -0.856 28.795 29.700 -0.082 0.000 0.748 318 E HN 0.148 nan 8.360 nan 0.000 0.449 319 R N 1.145 121.600 120.500 -0.075 0.000 2.075 319 R HA -0.127 4.214 4.340 0.002 0.000 0.232 319 R C 1.762 178.003 176.300 -0.099 0.000 1.126 319 R CA 1.495 57.518 56.100 -0.129 0.000 0.963 319 R CB -0.064 30.055 30.300 -0.303 0.000 0.858 319 R HN 0.282 nan 8.270 nan 0.000 0.435 320 E N -0.106 120.011 120.200 -0.139 0.000 2.150 320 E HA -0.127 4.224 4.350 0.002 0.000 0.193 320 E C 1.904 178.487 176.600 -0.028 0.000 0.985 320 E CA 1.045 57.379 56.400 -0.110 0.000 0.814 320 E CB -0.037 29.603 29.700 -0.100 0.000 0.752 320 E HN 0.415 nan 8.360 nan 0.000 0.466 321 A N 1.273 124.081 122.820 -0.020 0.000 1.855 321 A HA -0.122 4.199 4.320 0.002 0.000 0.215 321 A C 2.182 179.765 177.584 -0.002 0.000 1.191 321 A CA 0.861 52.889 52.037 -0.015 0.000 0.613 321 A CB -0.627 18.355 19.000 -0.030 0.000 0.829 321 A HN 0.129 nan 8.150 nan 0.000 0.442 322 L N -0.911 120.330 121.223 0.030 0.000 2.079 322 L HA -0.254 4.087 4.340 0.002 0.000 0.210 322 L C 2.880 179.811 176.870 0.103 0.000 1.081 322 L CA 1.773 56.627 54.840 0.022 0.000 0.752 322 L CB -0.434 41.776 42.059 0.251 0.000 0.896 322 L HN 0.492 nan 8.230 nan 0.000 0.433 323 Q N 0.112 120.058 119.800 0.243 0.000 2.135 323 Q HA -0.206 4.135 4.340 0.002 0.000 0.204 323 Q C 2.182 178.256 176.000 0.124 0.000 0.981 323 Q CA 2.053 58.010 55.803 0.256 0.000 0.856 323 Q CB -0.234 28.583 28.738 0.132 0.000 0.902 323 Q HN 0.466 nan 8.270 nan 0.000 0.425 324 A N -0.751 122.102 122.820 0.055 0.000 1.940 324 A HA -0.213 4.108 4.320 0.002 0.000 0.219 324 A C 1.978 179.568 177.584 0.010 0.000 1.176 324 A CA 1.590 53.644 52.037 0.027 0.000 0.631 324 A CB -1.032 17.973 19.000 0.008 0.000 0.814 324 A HN 0.638 nan 8.150 nan 0.000 0.446 325 Y N -0.601 119.603 120.300 -0.160 0.000 2.109 325 Y HA -0.180 4.371 4.550 0.002 0.000 0.285 325 Y C 2.013 177.812 175.900 -0.168 0.000 1.131 325 Y CA 1.885 59.836 58.100 -0.249 0.000 1.121 325 Y CB -0.600 37.572 38.460 -0.480 0.000 0.987 325 Y HN 0.289 nan 8.280 nan 0.000 0.495 326 F N 0.568 120.503 119.950 -0.025 0.000 2.126 326 F HA -0.265 4.263 4.527 0.002 0.000 0.299 326 F C 2.176 177.870 175.800 -0.176 0.000 1.096 326 F CA 1.291 59.203 58.000 -0.146 0.000 1.255 326 F CB -0.360 38.545 39.000 -0.158 0.000 0.997 326 F HN 0.096 nan 8.300 nan 0.000 0.479 327 D N -1.114 119.327 120.400 0.069 0.000 2.144 327 D HA -0.205 4.436 4.640 0.002 0.000 0.199 327 D C 1.864 178.131 176.300 -0.056 0.000 0.984 327 D CA 1.458 55.462 54.000 0.007 0.000 0.834 327 D CB -0.604 40.213 40.800 0.028 0.000 0.955 327 D HN 0.375 nan 8.370 nan 0.000 0.465 328 H N 0.275 119.245 119.070 -0.167 0.000 2.321 328 H HA -0.068 4.489 4.556 0.002 0.000 0.300 328 H C 1.906 177.095 175.328 -0.231 0.000 1.087 328 H CA 1.678 57.608 56.048 -0.197 0.000 1.319 328 H CB -0.136 29.484 29.762 -0.237 0.000 1.379 328 H HN -0.083 nan 8.280 nan 0.000 0.501 329 V N 0.731 120.501 119.914 -0.240 0.000 2.358 329 V HA -0.210 3.911 4.120 0.002 0.000 0.246 329 V C 2.725 178.686 176.094 -0.222 0.000 1.047 329 V CA 1.576 63.722 62.300 -0.257 0.000 1.035 329 V CB -1.179 30.476 31.823 -0.280 0.000 0.658 329 V HN 0.705 nan 8.190 nan 0.000 0.452 330 A N -0.140 122.575 122.820 -0.175 0.000 2.070 330 A HA -0.241 4.080 4.320 0.002 0.000 0.220 330 A C 2.365 179.831 177.584 -0.196 0.000 1.159 330 A CA 1.741 53.679 52.037 -0.166 0.000 0.656 330 A CB -0.656 18.272 19.000 -0.120 0.000 0.800 330 A HN 0.484 nan 8.150 nan 0.000 0.453 331 R N 0.008 120.372 120.500 -0.227 0.000 2.159 331 R HA -0.103 4.238 4.340 0.002 0.000 0.237 331 R C 1.434 177.572 176.300 -0.270 0.000 1.131 331 R CA 1.629 57.577 56.100 -0.253 0.000 0.982 331 R CB -0.160 29.976 30.300 -0.274 0.000 0.868 331 R HN 0.496 nan 8.270 nan 0.000 0.453 332 S N -0.310 115.243 115.700 -0.246 0.000 2.528 332 S HA 0.073 4.544 4.470 0.002 0.000 0.219 332 S C 0.322 174.810 174.600 -0.187 0.000 0.985 332 S CA -0.036 58.039 58.200 -0.209 0.000 0.914 332 S CB 0.772 63.862 63.200 -0.184 0.000 0.776 332 S HN 0.018 nan 8.310 nan 0.000 0.526 333 V N 3.594 123.388 119.914 -0.200 0.000 2.302 333 V HA 0.205 4.326 4.120 0.002 0.000 0.244 333 V C 0.004 176.019 176.094 -0.133 0.000 1.160 333 V CA 0.286 62.469 62.300 -0.194 0.000 1.127 333 V CB -0.635 31.034 31.823 -0.255 0.000 1.253 333 V HN 0.183 nan 8.190 nan 0.000 0.496 334 T N 3.354 117.852 114.554 -0.093 0.000 2.881 334 T HA 0.778 5.130 4.350 0.002 0.000 0.291 334 T C 0.345 175.071 174.700 0.043 0.000 0.990 334 T CA 0.105 62.203 62.100 -0.005 0.000 0.976 334 T CB 1.700 70.529 68.868 -0.065 0.000 0.970 334 T HN 0.958 nan 8.240 nan 0.000 0.438 335 G N 1.392 110.263 108.800 0.118 0.000 2.344 335 G HA2 0.450 4.411 3.960 0.002 0.000 0.282 335 G HA3 0.450 4.411 3.960 0.002 0.000 0.282 335 G C -2.159 172.832 174.900 0.151 0.000 1.281 335 G CA -0.508 44.650 45.100 0.097 0.000 0.877 335 G HN 0.713 nan 8.290 nan 0.000 0.494 336 V N 0.300 120.281 119.914 0.112 0.000 2.709 336 V HA 0.802 4.923 4.120 0.002 0.000 0.308 336 V C 0.306 176.464 176.094 0.107 0.000 1.062 336 V CA -0.102 62.275 62.300 0.128 0.000 0.901 336 V CB 1.357 33.229 31.823 0.082 0.000 1.003 336 V HN 1.783 nan 8.190 nan 0.000 0.425 337 A N 4.405 127.313 122.820 0.147 0.000 2.337 337 A HA 0.882 5.203 4.320 0.002 0.000 0.329 337 A C -0.333 177.315 177.584 0.107 0.000 1.146 337 A CA -0.726 51.377 52.037 0.111 0.000 0.800 337 A CB 1.107 20.190 19.000 0.139 0.000 1.220 337 A HN 0.829 nan 8.150 nan 0.000 0.472 338 R N 2.277 122.833 120.500 0.092 0.000 2.360 338 R HA 0.618 4.959 4.340 0.002 0.000 0.318 338 R C -1.835 174.544 176.300 0.131 0.000 0.950 338 R CA -0.443 55.726 56.100 0.114 0.000 0.837 338 R CB 0.576 30.937 30.300 0.102 0.000 1.165 338 R HN 0.619 nan 8.270 nan 0.000 0.458 339 L N 2.945 124.248 121.223 0.134 0.000 2.333 339 L HA 0.550 4.891 4.340 0.002 0.000 0.269 339 L C -0.465 176.435 176.870 0.049 0.000 1.010 339 L CA -0.645 54.254 54.840 0.098 0.000 0.818 339 L CB 1.763 43.869 42.059 0.078 0.000 1.306 339 L HN 0.471 nan 8.230 nan 0.000 0.430 340 K N 2.091 122.478 120.400 -0.023 0.000 2.358 340 K HA 0.672 4.993 4.320 0.002 0.000 0.260 340 K C -1.572 174.983 176.600 -0.074 0.000 0.956 340 K CA -0.438 55.701 56.287 -0.246 0.000 0.834 340 K CB 0.894 33.178 32.500 -0.360 0.000 1.102 340 K HN 0.545 nan 8.250 nan 0.000 0.431 341 L N 4.931 126.030 121.223 -0.206 0.000 2.282 341 L HA 0.475 4.816 4.340 0.002 0.000 0.288 341 L C -1.024 175.780 176.870 -0.111 0.000 1.033 341 L CA -1.097 53.619 54.840 -0.206 0.000 0.807 341 L CB 0.850 42.626 42.059 -0.471 0.000 1.209 341 L HN 0.625 nan 8.230 nan 0.000 0.423 342 Y N 3.088 123.370 120.300 -0.030 0.000 2.358 342 Y HA 0.200 4.751 4.550 0.002 0.000 0.324 342 Y C -0.484 175.490 175.900 0.123 0.000 1.123 342 Y CA -1.512 56.635 58.100 0.078 0.000 1.067 342 Y CB 1.236 39.738 38.460 0.071 0.000 1.230 342 Y HN 0.535 nan 8.280 nan 0.000 0.429 343 K N 5.080 125.220 120.400 -0.433 0.000 4.462 343 K HA -0.235 4.086 4.320 0.002 0.000 0.278 343 K C 1.052 177.548 176.600 -0.173 0.000 0.789 343 K CA 1.400 57.461 56.287 -0.378 0.000 0.765 343 K CB -1.361 30.753 32.500 -0.643 0.000 1.839 343 K HN 1.341 nan 8.250 nan 0.000 0.418 344 G N -0.124 108.619 108.800 -0.095 0.000 2.253 344 G HA2 -0.328 3.633 3.960 0.002 0.000 0.251 344 G HA3 -0.328 3.633 3.960 0.002 0.000 0.251 344 G C 0.076 174.924 174.900 -0.087 0.000 0.998 344 G CA 0.349 45.394 45.100 -0.092 0.000 0.621 344 G HN 0.519 nan 8.290 nan 0.000 0.524 345 N N -0.304 118.349 118.700 -0.078 0.000 2.430 345 N HA 0.656 5.397 4.740 0.002 0.000 0.298 345 N C -0.520 174.813 175.510 -0.296 0.000 1.130 345 N CA -0.253 52.658 53.050 -0.231 0.000 0.894 345 N CB 1.978 40.267 38.487 -0.330 0.000 1.209 345 N HN 0.168 nan 8.380 nan 0.000 0.503 346 V N 3.096 122.729 119.914 -0.467 0.000 2.448 346 V HA 0.426 4.547 4.120 0.002 0.000 0.295 346 V C -1.243 174.512 176.094 -0.565 0.000 1.025 346 V CA -0.571 61.526 62.300 -0.338 0.000 0.859 346 V CB 0.703 32.426 31.823 -0.166 0.000 0.988 346 V HN 0.503 nan 8.190 nan 0.000 0.431 347 Y N 2.812 123.042 120.300 -0.116 0.000 2.331 347 Y HA 0.522 5.073 4.550 0.002 0.000 0.334 347 Y C 0.100 175.956 175.900 -0.075 0.000 0.960 347 Y CA -0.963 57.071 58.100 -0.110 0.000 1.130 347 Y CB 1.921 40.326 38.460 -0.091 0.000 1.164 347 Y HN 0.359 nan 8.280 nan 0.000 0.458 348 V N 4.758 124.709 119.914 0.062 0.000 2.508 348 V HA 0.057 4.178 4.120 0.002 0.000 0.281 348 V C 0.716 176.858 176.094 0.081 0.000 1.041 348 V CA 0.181 62.518 62.300 0.062 0.000 1.016 348 V CB 0.871 32.715 31.823 0.035 0.000 0.984 348 V HN 0.816 nan 8.190 nan 0.000 0.478 349 V N 1.842 121.811 119.914 0.090 0.000 3.432 349 V HA 0.785 4.906 4.120 0.002 0.000 0.298 349 V C 0.546 176.675 176.094 0.058 0.000 1.464 349 V CA 0.567 62.920 62.300 0.088 0.000 1.046 349 V CB 0.165 32.083 31.823 0.158 0.000 0.887 349 V HN 0.994 nan 8.190 nan 0.000 0.441 350 G N 0.907 109.735 108.800 0.047 0.000 2.411 350 G HA2 0.638 4.599 3.960 0.002 0.000 0.295 350 G HA3 0.638 4.599 3.960 0.002 0.000 0.295 350 G C -1.725 173.182 174.900 0.013 0.000 1.542 350 G CA -0.546 44.564 45.100 0.017 0.000 0.814 350 G HN 0.612 nan 8.290 nan 0.000 0.557 351 R N -0.033 120.460 120.500 -0.011 0.000 2.629 351 R HA 0.720 5.061 4.340 0.002 0.000 0.266 351 R C -1.315 174.977 176.300 -0.013 0.000 1.051 351 R CA -0.997 55.098 56.100 -0.008 0.000 0.895 351 R CB 1.243 31.526 30.300 -0.029 0.000 1.246 351 R HN 1.049 nan 8.270 nan 0.000 0.459 352 K N 0.596 121.000 120.400 0.007 0.000 2.536 352 K HA 0.899 5.220 4.320 0.002 0.000 0.269 352 K C -1.611 175.002 176.600 0.023 0.000 0.965 352 K CA -0.933 55.362 56.287 0.015 0.000 0.860 352 K CB 2.682 35.195 32.500 0.021 0.000 1.423 352 K HN 0.814 nan 8.250 nan 0.000 0.438 353 A N 1.559 124.395 122.820 0.026 0.000 2.566 353 A HA 0.498 4.819 4.320 0.002 0.000 0.297 353 A C -2.547 175.053 177.584 0.028 0.000 1.059 353 A CA -1.210 50.842 52.037 0.026 0.000 0.691 353 A CB 1.483 20.486 19.000 0.006 0.000 1.282 353 A HN 0.579 nan 8.150 nan 0.000 0.401 354 P HA -0.105 nan 4.420 nan 0.000 0.216 354 P C 0.369 177.679 177.300 0.017 0.000 1.153 354 P CA 1.438 64.555 63.100 0.030 0.000 0.858 354 P CB 0.257 31.983 31.700 0.044 0.000 0.789 355 K N -0.446 119.958 120.400 0.007 0.000 3.135 355 K HA 0.222 4.543 4.320 0.002 0.000 0.210 355 K C 0.010 176.607 176.600 -0.005 0.000 1.176 355 K CA -0.175 56.109 56.287 -0.005 0.000 1.064 355 K CB 0.510 32.998 32.500 -0.020 0.000 1.009 355 K HN -0.024 nan 8.250 nan 0.000 0.472 356 S N 0.885 116.593 115.700 0.013 0.000 2.549 356 S HA 0.089 4.560 4.470 0.002 0.000 0.286 356 S C 1.137 175.756 174.600 0.031 0.000 1.314 356 S CA -0.352 57.867 58.200 0.031 0.000 1.062 356 S CB 0.386 63.628 63.200 0.069 0.000 0.865 356 S HN 0.413 nan 8.310 nan 0.000 0.498 357 L N 4.187 125.430 121.223 0.032 0.000 2.591 357 L HA 0.196 4.537 4.340 0.002 0.000 0.228 357 L C 0.417 177.314 176.870 0.044 0.000 1.133 357 L CA -0.128 54.722 54.840 0.016 0.000 0.880 357 L CB -0.356 41.702 42.059 -0.002 0.000 1.033 357 L HN 0.713 nan 8.230 nan 0.000 0.450 358 Y N 2.405 122.685 120.300 -0.032 0.000 2.359 358 Y HA 0.254 4.805 4.550 0.002 0.000 0.330 358 Y C 0.133 176.017 175.900 -0.027 0.000 1.143 358 Y CA -0.532 57.552 58.100 -0.028 0.000 1.318 358 Y CB 0.387 38.834 38.460 -0.023 0.000 1.234 358 Y HN -0.027 nan 8.280 nan 0.000 0.522 359 R N 6.383 126.393 120.500 -0.817 0.000 2.473 359 R HA 0.081 4.422 4.340 0.002 0.000 0.303 359 R C 0.493 176.288 176.300 -0.843 0.000 1.002 359 R CA -0.579 55.145 56.100 -0.627 0.000 0.884 359 R CB 1.672 31.782 30.300 -0.316 0.000 1.173 359 R HN 0.930 nan 8.270 nan 0.000 0.464 360 Q N 1.652 121.029 119.800 -0.705 0.000 2.124 360 Q HA -0.204 4.137 4.340 0.002 0.000 0.202 360 Q C 0.610 176.462 176.000 -0.246 0.000 0.977 360 Q CA 2.500 58.064 55.803 -0.397 0.000 0.850 360 Q CB 0.263 28.941 28.738 -0.100 0.000 0.901 360 Q HN 0.599 nan 8.270 nan 0.000 0.429 361 D N -0.071 120.197 120.400 -0.221 0.000 2.309 361 D HA -0.192 4.449 4.640 0.002 0.000 0.212 361 D C 1.558 177.729 176.300 -0.214 0.000 0.968 361 D CA 0.842 54.734 54.000 -0.179 0.000 0.882 361 D CB -0.346 40.367 40.800 -0.145 0.000 0.918 361 D HN 0.382 nan 8.370 nan 0.000 0.503 362 L N 0.101 121.180 121.223 -0.239 0.000 2.418 362 L HA 0.036 4.377 4.340 0.002 0.000 0.218 362 L C 1.952 178.681 176.870 -0.236 0.000 1.125 362 L CA 0.427 55.132 54.840 -0.226 0.000 0.835 362 L CB 0.127 42.080 42.059 -0.178 0.000 0.953 362 L HN 0.165 nan 8.230 nan 0.000 0.454 363 V N -7.246 112.541 119.914 -0.211 0.000 3.570 363 V HA 0.233 4.354 4.120 0.002 0.000 0.257 363 V C 1.166 177.126 176.094 -0.223 0.000 1.272 363 V CA -0.318 61.880 62.300 -0.169 0.000 1.079 363 V CB 0.389 32.215 31.823 0.004 0.000 0.829 363 V HN 0.087 nan 8.190 nan 0.000 0.454 364 S N 0.951 116.543 115.700 -0.180 0.000 2.572 364 S HA 0.568 5.039 4.470 0.002 0.000 0.279 364 S C -0.442 174.006 174.600 -0.253 0.000 1.341 364 S CA -0.022 58.117 58.200 -0.102 0.000 1.043 364 S CB 0.273 63.438 63.200 -0.059 0.000 0.887 364 S HN 0.403 nan 8.310 nan 0.000 0.516 371 Y N -0.032 120.217 120.300 -0.085 0.000 2.774 371 Y HA 0.585 5.136 4.550 0.002 0.000 0.346 371 Y C -1.701 174.161 175.900 -0.063 0.000 1.222 371 Y CA -1.409 56.648 58.100 -0.071 0.000 1.088 371 Y CB 0.077 38.488 38.460 -0.082 0.000 1.354 371 Y HN 0.110 nan 8.280 nan 0.000 0.455 372 D N -0.053 120.436 120.400 0.148 0.000 2.326 372 D HA 0.283 4.924 4.640 0.002 0.000 0.248 372 D C 0.589 176.991 176.300 0.171 0.000 1.001 372 D CA -0.774 53.245 54.000 0.033 0.000 0.961 372 D CB 1.046 41.861 40.800 0.025 0.000 1.183 372 D HN 0.499 nan 8.370 nan 0.000 0.502 373 Q N 0.493 120.335 119.800 0.070 0.000 2.118 373 Q HA -0.293 4.048 4.340 0.002 0.000 0.211 373 Q C 1.737 177.826 176.000 0.148 0.000 0.998 373 Q CA 1.820 57.693 55.803 0.117 0.000 0.872 373 Q CB -0.518 28.255 28.738 0.059 0.000 0.925 373 Q HN 0.624 nan 8.270 nan 0.000 0.414 374 K N 0.729 121.193 120.400 0.107 0.000 2.152 374 K HA -0.160 4.161 4.320 0.002 0.000 0.206 374 K C 1.495 178.152 176.600 0.095 0.000 1.048 374 K CA 1.423 57.763 56.287 0.087 0.000 0.933 374 K CB -0.001 32.535 32.500 0.061 0.000 0.721 374 K HN 0.084 nan 8.250 nan 0.000 0.447 375 D N 0.222 120.695 120.400 0.122 0.000 2.104 375 D HA -0.173 4.468 4.640 0.002 0.000 0.194 375 D C 1.769 178.080 176.300 0.017 0.000 0.994 375 D CA 1.552 55.584 54.000 0.053 0.000 0.830 375 D CB -0.338 40.478 40.800 0.027 0.000 0.959 375 D HN 0.370 nan 8.370 nan 0.000 0.452 376 A N 0.857 123.711 122.820 0.057 0.000 1.940 376 A HA -0.235 4.086 4.320 0.002 0.000 0.219 376 A C 2.114 179.789 177.584 0.152 0.000 1.176 376 A CA 1.894 53.981 52.037 0.084 0.000 0.631 376 A CB -0.593 18.518 19.000 0.185 0.000 0.814 376 A HN 0.314 nan 8.150 nan 0.000 0.446 377 E N -0.519 119.750 120.200 0.115 0.000 2.051 377 E HA -0.135 4.216 4.350 0.002 0.000 0.192 377 E C 2.077 178.721 176.600 0.073 0.000 0.991 377 E CA 1.153 57.605 56.400 0.087 0.000 0.799 377 E CB -0.447 29.293 29.700 0.066 0.000 0.748 377 E HN 0.502 nan 8.360 nan 0.000 0.449 378 G N 0.355 109.200 108.800 0.076 0.000 2.408 378 G HA2 -0.282 3.679 3.960 0.002 0.000 0.217 378 G HA3 -0.282 3.679 3.960 0.002 0.000 0.217 378 G C 1.340 176.284 174.900 0.074 0.000 1.150 378 G CA 0.627 45.762 45.100 0.058 0.000 0.776 378 G HN 0.373 nan 8.290 nan 0.000 0.542 379 F N 1.516 121.436 119.950 -0.050 0.000 2.069 379 F HA -0.040 4.488 4.527 0.002 0.000 0.298 379 F C 2.444 178.221 175.800 -0.038 0.000 1.113 379 F CA 1.256 59.218 58.000 -0.062 0.000 1.214 379 F CB -0.285 38.652 39.000 -0.105 0.000 0.978 379 F HN 0.108 nan 8.300 nan 0.000 0.474 380 I N 0.270 120.806 120.570 -0.056 0.000 2.179 380 I HA -0.319 3.852 4.170 0.002 0.000 0.242 380 I C 2.438 178.468 176.117 -0.145 0.000 1.088 380 I CA 1.191 62.405 61.300 -0.144 0.000 1.357 380 I CB -0.519 37.486 38.000 0.008 0.000 1.051 380 I HN 0.043 nan 8.210 nan 0.000 0.409 381 K N 0.562 120.918 120.400 -0.073 0.000 2.032 381 K HA -0.140 4.181 4.320 0.002 0.000 0.209 381 K C 2.057 178.603 176.600 -0.090 0.000 1.048 381 K CA 1.429 57.679 56.287 -0.061 0.000 0.927 381 K CB -0.417 32.067 32.500 -0.026 0.000 0.712 381 K HN 0.269 nan 8.250 nan 0.000 0.441 382 I N 1.768 122.271 120.570 -0.112 0.000 2.252 382 I HA -0.217 3.954 4.170 0.002 0.000 0.245 382 I C 2.298 178.313 176.117 -0.170 0.000 1.102 382 I CA 1.265 62.495 61.300 -0.116 0.000 1.385 382 I CB -1.035 36.908 38.000 -0.095 0.000 1.064 382 I HN 0.216 nan 8.210 nan 0.000 0.414 383 Q N 0.430 120.054 119.800 -0.293 0.000 2.167 383 Q HA -0.057 4.284 4.340 0.002 0.000 0.202 383 Q C 2.273 178.165 176.000 -0.180 0.000 0.970 383 Q CA 1.614 57.233 55.803 -0.307 0.000 0.855 383 Q CB -0.219 28.207 28.738 -0.519 0.000 0.911 383 Q HN 0.537 nan 8.270 nan 0.000 0.438 384 A N 0.425 123.156 122.820 -0.147 0.000 2.123 384 A HA -0.051 4.270 4.320 0.002 0.000 0.214 384 A C 2.028 179.572 177.584 -0.067 0.000 1.152 384 A CA 0.247 52.229 52.037 -0.092 0.000 0.728 384 A CB -0.327 18.629 19.000 -0.073 0.000 0.814 384 A HN 0.281 nan 8.150 nan 0.000 0.464 385 L N 1.511 122.692 121.223 -0.069 0.000 1.991 385 L HA -0.293 4.048 4.340 0.002 0.000 0.221 385 L C 2.695 179.541 176.870 -0.041 0.000 1.079 385 L CA 2.869 57.679 54.840 -0.049 0.000 0.778 385 L CB -0.661 41.369 42.059 -0.048 0.000 0.893 385 L HN 0.626 nan 8.230 nan 0.000 0.437 386 R N -0.743 119.730 120.500 -0.044 0.000 2.120 386 R HA -0.145 4.196 4.340 0.002 0.000 0.234 386 R C 2.139 178.421 176.300 -0.031 0.000 1.123 386 R CA 1.852 57.931 56.100 -0.035 0.000 0.975 386 R CB -0.942 29.337 30.300 -0.035 0.000 0.866 386 R HN 0.474 nan 8.270 nan 0.000 0.446 387 L N 0.453 121.655 121.223 -0.035 0.000 2.109 387 L HA -0.007 4.334 4.340 0.002 0.000 0.207 387 L C 2.754 179.610 176.870 -0.024 0.000 1.086 387 L CA 1.326 56.148 54.840 -0.029 0.000 0.760 387 L CB -0.406 41.633 42.059 -0.033 0.000 0.910 387 L HN 0.164 nan 8.230 nan 0.000 0.437 388 R N -0.346 120.139 120.500 -0.026 0.000 2.075 388 R HA -0.092 4.249 4.340 0.002 0.000 0.232 388 R C 2.301 178.590 176.300 -0.017 0.000 1.126 388 R CA 1.009 57.096 56.100 -0.020 0.000 0.963 388 R CB -0.501 29.786 30.300 -0.021 0.000 0.858 388 R HN 0.134 nan 8.270 nan 0.000 0.435 389 V N 1.205 121.107 119.914 -0.019 0.000 2.343 389 V HA -0.277 3.844 4.120 0.002 0.000 0.247 389 V C 2.506 178.592 176.094 -0.014 0.000 1.051 389 V CA 1.869 64.160 62.300 -0.016 0.000 1.036 389 V CB -0.574 31.238 31.823 -0.017 0.000 0.654 389 V HN 0.325 nan 8.190 nan 0.000 0.451 390 R N 0.257 120.748 120.500 -0.015 0.000 2.080 390 R HA -0.202 4.139 4.340 0.002 0.000 0.236 390 R C 2.331 178.624 176.300 -0.011 0.000 1.137 390 R CA 1.913 58.005 56.100 -0.013 0.000 0.943 390 R CB -0.531 29.760 30.300 -0.014 0.000 0.846 390 R HN 0.472 nan 8.270 nan 0.000 0.431 391 A N 1.025 123.838 122.820 -0.012 0.000 1.908 391 A HA -0.151 4.170 4.320 0.002 0.000 0.218 391 A C 2.247 179.826 177.584 -0.008 0.000 1.181 391 A CA 1.382 53.413 52.037 -0.009 0.000 0.627 391 A CB -0.573 18.421 19.000 -0.010 0.000 0.818 391 A HN 0.368 nan 8.150 nan 0.000 0.445 392 L N -0.748 120.469 121.223 -0.009 0.000 2.017 392 L HA -0.165 4.176 4.340 0.002 0.000 0.208 392 L C 2.539 179.405 176.870 -0.007 0.000 1.073 392 L CA 1.167 56.002 54.840 -0.008 0.000 0.745 392 L CB -0.531 41.523 42.059 -0.008 0.000 0.894 392 L HN 0.243 nan 8.230 nan 0.000 0.432 393 V N -0.554 119.355 119.914 -0.008 0.000 2.407 393 V HA -0.263 3.858 4.120 0.002 0.000 0.248 393 V C 2.381 178.471 176.094 -0.006 0.000 1.055 393 V CA 1.623 63.919 62.300 -0.007 0.000 1.049 393 V CB -0.401 31.418 31.823 -0.007 0.000 0.662 393 V HN 0.373 nan 8.190 nan 0.000 0.455 394 E N 0.141 120.338 120.200 -0.006 0.000 2.338 394 E HA -0.094 4.257 4.350 0.002 0.000 0.197 394 E C 1.043 177.640 176.600 -0.005 0.000 1.007 394 E CA 0.033 56.430 56.400 -0.005 0.000 0.849 394 E CB -0.311 29.386 29.700 -0.005 0.000 0.774 394 E HN 0.742 nan 8.360 nan 0.000 0.506 395 R N 0.000 120.497 120.500 -0.005 0.000 2.786 395 R HA 0.000 4.341 4.340 0.002 0.000 0.208 395 R CA 0.000 56.097 56.100 -0.004 0.000 0.921 395 R CB 0.000 30.298 30.300 -0.004 0.000 0.687 395 R HN 0.000 nan 8.270 nan 0.000 0.535